NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16638 | 2ai6 | 6625 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 12.942 12.267 17.692 2 2H MET 1 H2 MET 1 12.057 13.487 17.045 3 3H MET 1 H3 MET 1 11.301 12.205 17.712 4 HA MET 1 HA MET 1 12.963 12.160 15.297 5 1HB MET 1 HB2 MET 1 13.132 10.062 16.622 6 2HB MET 1 HB3 MET 1 11.379 9.886 16.580 7 1HG MET 1 HG2 MET 1 12.514 8.439 14.945 8 2HG MET 1 HG3 MET 1 11.401 9.555 14.183 9 1HE MET 1 HE1 MET 1 16.031 9.681 13.854 10 2HE MET 1 HE2 MET 1 15.210 9.867 15.415 11 3HE MET 1 HE3 MET 1 15.090 8.331 14.526 12 H ALA 2 H ALA 2 11.775 11.904 13.290 13 HA ALA 2 HA ALA 2 8.849 12.218 13.361 14 1HB ALA 2 HB1 ALA 2 9.700 14.546 13.207 15 2HB ALA 2 HB2 ALA 2 10.732 14.083 11.833 16 3HB ALA 2 HB3 ALA 2 8.965 14.035 11.675 17 H VAL 3 H VAL 3 7.907 11.322 11.492 18 HA VAL 3 HA VAL 3 9.586 9.466 9.963 19 HB VAL 3 HB VAL 3 7.170 9.172 8.830 20 1HG1 VAL 3 HG11 VAL 3 6.710 7.402 10.522 21 2HG1 VAL 3 HG12 VAL 3 8.067 8.024 11.489 22 3HG1 VAL 3 HG13 VAL 3 8.331 7.389 9.840 23 1HG2 VAL 3 HG21 VAL 3 6.061 10.992 10.157 24 2HG2 VAL 3 HG22 VAL 3 5.321 9.398 10.348 25 3HG2 VAL 3 HG23 VAL 3 6.351 10.035 11.637 26 H ALA 4 H ALA 4 10.166 9.679 7.856 27 HA ALA 4 HA ALA 4 9.729 12.243 6.500 28 1HB ALA 4 HB1 ALA 4 11.876 10.987 6.214 29 2HB ALA 4 HB2 ALA 4 10.983 9.663 5.439 30 3HB ALA 4 HB3 ALA 4 11.033 11.259 4.682 31 H ASP 5 H ASP 5 8.916 11.769 4.003 32 HA ASP 5 HA ASP 5 6.632 9.917 3.962 33 1HB ASP 5 HB2 ASP 5 5.655 11.943 4.966 34 2HB ASP 5 HB3 ASP 5 6.341 12.940 3.681 35 H LEU 6 H LEU 6 5.871 9.641 1.770 36 HA LEU 6 HA LEU 6 7.853 9.410 -0.170 37 1HB LEU 6 HB2 LEU 6 4.823 9.653 -0.408 38 2HB LEU 6 HB3 LEU 6 5.885 9.233 -1.729 39 HG LEU 6 HG LEU 6 5.434 7.554 0.743 40 1HD1 LEU 6 HD11 LEU 6 4.520 5.992 -1.067 41 2HD1 LEU 6 HD12 LEU 6 3.553 7.436 -0.716 42 3HD1 LEU 6 HD13 LEU 6 4.540 7.365 -2.172 43 1HD2 LEU 6 HD21 LEU 6 7.725 7.183 0.086 44 2HD2 LEU 6 HD22 LEU 6 6.775 5.818 -0.481 45 3HD2 LEU 6 HD23 LEU 6 7.279 7.063 -1.635 46 H ALA 7 H ALA 7 5.813 12.256 0.492 47 HA ALA 7 HA ALA 7 6.422 13.581 -1.970 48 1HB ALA 7 HB1 ALA 7 5.455 14.703 0.694 49 2HB ALA 7 HB2 ALA 7 5.413 15.540 -0.870 50 3HB ALA 7 HB3 ALA 7 4.415 14.095 -0.618 51 H LEU 8 H LEU 8 8.110 13.249 1.106 52 HA LEU 8 HA LEU 8 9.785 15.643 0.718 53 1HB LEU 8 HB2 LEU 8 9.977 13.424 2.795 54 2HB LEU 8 HB3 LEU 8 10.878 14.933 2.793 55 HG LEU 8 HG LEU 8 7.872 14.639 3.176 56 1HD1 LEU 8 HD11 LEU 8 10.073 15.529 5.088 57 2HD1 LEU 8 HD12 LEU 8 8.337 15.415 5.456 58 3HD1 LEU 8 HD13 LEU 8 9.261 13.952 5.101 59 1HD2 LEU 8 HD21 LEU 8 8.265 16.750 2.012 60 2HD2 LEU 8 HD22 LEU 8 7.889 17.074 3.704 61 3HD2 LEU 8 HD23 LEU 8 9.574 17.170 3.143 62 H ILE 9 H ILE 9 9.874 12.196 0.022 63 HA ILE 9 HA ILE 9 12.645 11.787 -0.261 64 HB ILE 9 HB ILE 9 10.296 10.626 -1.807 65 1HG1 ILE 9 HG12 ILE 9 11.913 9.605 0.575 66 2HG1 ILE 9 HG13 ILE 9 10.251 10.204 0.626 67 1HG2 ILE 9 HG21 ILE 9 12.362 10.327 -3.124 68 2HG2 ILE 9 HG22 ILE 9 13.169 9.634 -1.705 69 3HG2 ILE 9 HG23 ILE 9 11.811 8.795 -2.486 70 1HD1 ILE 9 HD11 ILE 9 11.240 7.625 -0.598 71 2HD1 ILE 9 HD12 ILE 9 10.068 7.869 0.705 72 3HD1 ILE 9 HD13 ILE 9 9.638 8.307 -0.965 73 HA PRO 10 HA PRO 10 13.541 14.701 -3.657 74 1HB PRO 10 HB2 PRO 10 15.692 12.653 -4.230 75 2HB PRO 10 HB3 PRO 10 15.817 14.438 -4.189 76 1HG PRO 10 HG2 PRO 10 16.697 12.949 -2.096 77 2HG PRO 10 HG3 PRO 10 15.777 14.461 -1.804 78 1HD PRO 10 HD2 PRO 10 14.775 11.607 -1.713 79 2HD PRO 10 HD3 PRO 10 14.442 12.967 -0.595 80 H ASP 11 H ASP 11 12.411 14.679 -5.565 81 HA ASP 11 HA ASP 11 11.241 12.158 -6.369 82 1HB ASP 11 HB2 ASP 11 10.204 14.554 -6.142 83 2HB ASP 11 HB3 ASP 11 10.802 14.796 -7.786 84 H VAL 12 H VAL 12 13.591 14.395 -7.822 85 HA VAL 12 HA VAL 12 14.343 12.368 -9.838 86 HB VAL 12 HB VAL 12 13.859 15.312 -10.468 87 1HG1 VAL 12 HG11 VAL 12 14.659 13.023 -12.316 88 2HG1 VAL 12 HG12 VAL 12 14.291 14.692 -12.801 89 3HG1 VAL 12 HG13 VAL 12 15.698 14.368 -11.799 90 1HG2 VAL 12 HG21 VAL 12 12.071 14.513 -12.009 91 2HG2 VAL 12 HG22 VAL 12 12.227 12.888 -11.291 92 3HG2 VAL 12 HG23 VAL 12 11.676 14.265 -10.312 93 H ASP 13 H ASP 13 16.593 12.346 -10.042 94 HA ASP 13 HA ASP 13 18.161 14.694 -9.509 95 1HB ASP 13 HB2 ASP 13 18.045 13.888 -7.175 96 2HB ASP 13 HB3 ASP 13 18.582 12.286 -7.685 97 H ILE 14 H ILE 14 19.408 14.605 -11.308 98 HA ILE 14 HA ILE 14 20.503 12.050 -12.249 99 HB ILE 14 HB ILE 14 19.723 12.510 -14.553 100 1HG1 ILE 14 HG12 ILE 14 17.710 14.492 -13.391 101 2HG1 ILE 14 HG13 ILE 14 19.188 14.978 -14.225 102 1HG2 ILE 14 HG21 ILE 14 17.544 11.519 -14.340 103 2HG2 ILE 14 HG22 ILE 14 18.551 10.898 -13.035 104 3HG2 ILE 14 HG23 ILE 14 17.343 12.147 -12.689 105 1HD1 ILE 14 HD11 ILE 14 17.351 15.083 -15.771 106 2HD1 ILE 14 HD12 ILE 14 18.435 13.768 -16.264 107 3HD1 ILE 14 HD13 ILE 14 16.895 13.405 -15.446 108 H ASP 15 H ASP 15 22.234 12.339 -13.732 109 HA ASP 15 HA ASP 15 23.712 14.873 -13.504 110 1HB ASP 15 HB2 ASP 15 24.790 12.606 -13.542 111 2HB ASP 15 HB3 ASP 15 24.266 12.420 -15.218 112 H SER 16 H SER 16 24.474 15.853 -15.755 113 HA SER 16 HA SER 16 22.324 15.828 -17.810 114 1HB SER 16 HB2 SER 16 23.180 18.366 -16.349 115 2HB SER 16 HB3 SER 16 21.973 18.241 -17.634 116 HG SER 16 HG SER 16 21.795 17.089 -15.045 117 H ASP 17 H ASP 17 25.449 15.329 -17.517 118 HA ASP 17 HA ASP 17 26.353 17.388 -19.471 119 1HB ASP 17 HB2 ASP 17 27.253 17.469 -17.154 120 2HB ASP 17 HB3 ASP 17 27.981 15.883 -17.413 121 H GLY 18 H GLY 18 25.131 14.714 -20.272 122 1HA GLY 18 HA2 GLY 18 26.422 14.431 -22.616 123 2HA GLY 18 HA3 GLY 18 27.418 13.397 -21.595 124 H VAL 19 H VAL 19 26.927 11.345 -21.673 125 HA VAL 19 HA VAL 19 24.151 10.411 -22.138 126 HB VAL 19 HB VAL 19 26.717 9.458 -23.492 127 1HG1 VAL 19 HG11 VAL 19 23.884 8.353 -23.669 128 2HG1 VAL 19 HG12 VAL 19 25.223 7.896 -24.747 129 3HG1 VAL 19 HG13 VAL 19 25.315 7.523 -23.024 130 1HG2 VAL 19 HG21 VAL 19 25.857 11.497 -24.560 131 2HG2 VAL 19 HG22 VAL 19 25.593 10.101 -25.604 132 3HG2 VAL 19 HG23 VAL 19 24.239 10.775 -24.678 133 H PHE 20 H PHE 20 23.587 8.917 -20.618 134 HA PHE 20 HA PHE 20 25.493 7.233 -19.209 135 1HB PHE 20 HB2 PHE 20 24.937 8.201 -16.972 136 2HB PHE 20 HB3 PHE 20 25.916 9.266 -17.959 137 HD1 PHE 20 HD1 PHE 20 22.583 8.755 -16.445 138 HD2 PHE 20 HD2 PHE 20 25.005 11.365 -18.884 139 HE1 PHE 20 HE1 PHE 20 20.852 10.527 -16.279 140 HE2 PHE 20 HE2 PHE 20 23.249 13.114 -18.749 141 HZ PHE 20 HZ PHE 20 21.159 12.675 -17.480 142 H LYS 21 H LYS 21 24.158 6.024 -17.402 143 HA LYS 21 HA LYS 21 21.610 5.270 -18.751 144 1HB LYS 21 HB2 LYS 21 23.495 3.707 -16.962 145 2HB LYS 21 HB3 LYS 21 21.938 3.103 -17.545 146 1HG LYS 21 HG2 LYS 21 22.641 3.226 -19.865 147 2HG LYS 21 HG3 LYS 21 24.134 4.072 -19.426 148 1HD LYS 21 HD2 LYS 21 24.792 2.068 -18.062 149 2HD LYS 21 HD3 LYS 21 23.427 1.186 -18.781 150 1HE LYS 21 HE2 LYS 21 24.366 1.606 -21.049 151 2HE LYS 21 HE3 LYS 21 25.673 2.559 -20.336 152 1HZ LYS 21 HZ1 LYS 21 26.354 0.509 -19.136 153 2HZ LYS 21 HZ2 LYS 21 25.254 -0.346 -19.994 154 3HZ LYS 21 HZ3 LYS 21 26.490 0.385 -20.768 155 H TYR 22 H TYR 22 19.821 4.567 -17.397 156 HA TYR 22 HA TYR 22 19.669 5.911 -14.774 157 1HB TYR 22 HB2 TYR 22 18.496 7.648 -15.516 158 2HB TYR 22 HB3 TYR 22 18.865 7.173 -17.148 159 HD1 TYR 22 HD1 TYR 22 17.271 5.473 -18.267 160 HD2 TYR 22 HD2 TYR 22 16.267 7.683 -14.715 161 HE1 TYR 22 HE1 TYR 22 14.907 4.808 -18.531 162 HE2 TYR 22 HE2 TYR 22 13.877 7.098 -15.018 163 HH TYR 22 HH TYR 22 12.326 6.016 -16.345 164 H VAL 23 H VAL 23 17.445 5.473 -13.795 165 HA VAL 23 HA VAL 23 16.164 2.994 -14.642 166 HB VAL 23 HB VAL 23 18.135 2.367 -13.201 167 1HG1 VAL 23 HG11 VAL 23 16.584 3.721 -10.958 168 2HG1 VAL 23 HG12 VAL 23 18.028 2.710 -10.774 169 3HG1 VAL 23 HG13 VAL 23 18.119 4.264 -11.627 170 1HG2 VAL 23 HG21 VAL 23 16.259 0.847 -13.433 171 2HG2 VAL 23 HG22 VAL 23 16.972 0.750 -11.823 172 3HG2 VAL 23 HG23 VAL 23 15.432 1.605 -12.052 173 H LEU 24 H LEU 24 14.073 2.743 -13.589 174 HA LEU 24 HA LEU 24 12.992 5.232 -12.339 175 1HB LEU 24 HB2 LEU 24 12.181 4.778 -14.677 176 2HB LEU 24 HB3 LEU 24 11.616 3.200 -14.158 177 HG LEU 24 HG LEU 24 9.984 4.373 -12.583 178 1HD1 LEU 24 HD11 LEU 24 10.896 6.866 -14.085 179 2HD1 LEU 24 HD12 LEU 24 9.550 6.750 -12.930 180 3HD1 LEU 24 HD13 LEU 24 11.198 6.537 -12.361 181 1HD2 LEU 24 HD21 LEU 24 9.299 3.567 -14.805 182 2HD2 LEU 24 HD22 LEU 24 8.446 5.046 -14.352 183 3HD2 LEU 24 HD23 LEU 24 9.778 5.125 -15.527 184 H ILE 25 H ILE 25 12.617 4.730 -10.154 185 HA ILE 25 HA ILE 25 11.953 1.889 -9.583 186 HB ILE 25 HB ILE 25 13.494 1.572 -8.174 187 1HG1 ILE 25 HG12 ILE 25 13.395 4.309 -6.891 188 2HG1 ILE 25 HG13 ILE 25 12.362 2.960 -6.423 189 1HG2 ILE 25 HG21 ILE 25 15.628 2.736 -8.304 190 2HG2 ILE 25 HG22 ILE 25 14.882 2.628 -9.896 191 3HG2 ILE 25 HG23 ILE 25 14.840 4.165 -8.984 192 1HD1 ILE 25 HD11 ILE 25 15.374 3.047 -6.154 193 2HD1 ILE 25 HD12 ILE 25 14.154 3.036 -4.877 194 3HD1 ILE 25 HD13 ILE 25 14.362 1.599 -5.900 195 H ARG 26 H ARG 26 10.265 1.433 -8.438 196 HA ARG 26 HA ARG 26 8.418 3.558 -7.580 197 1HB ARG 26 HB2 ARG 26 7.604 1.521 -8.703 198 2HB ARG 26 HB3 ARG 26 8.308 0.501 -7.454 199 1HG ARG 26 HG2 ARG 26 6.764 1.200 -5.803 200 2HG ARG 26 HG3 ARG 26 6.292 2.652 -6.700 201 1HD ARG 26 HD2 ARG 26 5.724 -0.163 -7.711 202 2HD ARG 26 HD3 ARG 26 4.593 0.769 -6.701 203 HE ARG 26 HE ARG 26 5.365 2.460 -8.825 204 1HH1 ARG 26 HH21 ARG 26 3.577 -0.624 -8.655 205 2HH1 ARG 26 HH22 ARG 26 2.556 -0.205 -9.980 206 1HH2 ARG 26 HH11 ARG 26 4.103 3.035 -10.304 207 2HH2 ARG 26 HH12 ARG 26 2.850 1.998 -11.023 208 H VAL 27 H VAL 27 7.977 3.968 -5.417 209 HA VAL 27 HA VAL 27 9.626 2.656 -3.329 210 HB VAL 27 HB VAL 27 8.924 5.619 -3.556 211 1HG1 VAL 27 HG11 VAL 27 9.911 4.006 -1.376 212 2HG1 VAL 27 HG12 VAL 27 11.149 5.184 -1.817 213 3HG1 VAL 27 HG13 VAL 27 9.513 5.723 -1.409 214 1HG2 VAL 27 HG21 VAL 27 11.599 4.336 -4.210 215 2HG2 VAL 27 HG22 VAL 27 10.521 5.202 -5.331 216 3HG2 VAL 27 HG23 VAL 27 11.300 6.080 -4.021 217 H HIS 28 H HIS 28 8.310 1.903 -1.721 218 HA HIS 28 HA HIS 28 5.421 2.630 -1.705 219 1HB HIS 28 HB2 HIS 28 6.950 0.412 -0.290 220 2HB HIS 28 HB3 HIS 28 5.199 0.613 -0.350 221 HD1 HIS 28 HD1 HIS 28 4.321 0.657 -3.192 222 HD2 HIS 28 HD2 HIS 28 7.853 -1.308 -2.008 223 HE1 HIS 28 HE1 HIS 28 4.830 -1.064 -4.999 224 H SER 29 H SER 29 4.433 3.340 0.210 225 HA SER 29 HA SER 29 5.925 5.052 1.922 226 1HB SER 29 HB2 SER 29 3.163 3.880 2.365 227 2HB SER 29 HB3 SER 29 3.840 5.295 3.178 228 HG SER 29 HG SER 29 3.271 4.986 0.408 229 H ALA 30 H ALA 30 7.580 3.925 3.035 230 HA ALA 30 HA ALA 30 6.576 2.732 5.497 231 1HB ALA 30 HB1 ALA 30 6.935 0.755 4.059 232 2HB ALA 30 HB2 ALA 30 8.633 1.207 3.847 233 3HB ALA 30 HB3 ALA 30 8.022 0.767 5.448 234 HA PRO 31 HA PRO 31 10.796 5.288 5.786 235 1HB PRO 31 HB2 PRO 31 8.742 7.395 6.499 236 2HB PRO 31 HB3 PRO 31 10.471 7.603 6.058 237 1HG PRO 31 HG2 PRO 31 8.547 7.921 4.172 238 2HG PRO 31 HG3 PRO 31 10.035 7.005 3.784 239 1HD PRO 31 HD2 PRO 31 7.290 5.955 4.442 240 2HD PRO 31 HD3 PRO 31 8.502 5.349 3.279 241 H ARG 32 H ARG 32 11.698 5.104 7.694 242 HA ARG 32 HA ARG 32 12.105 4.282 9.734 243 1HB ARG 32 HB2 ARG 32 9.920 6.138 10.655 244 2HB ARG 32 HB3 ARG 32 11.335 5.663 11.554 245 1HG ARG 32 HG2 ARG 32 11.648 7.317 8.990 246 2HG ARG 32 HG3 ARG 32 11.143 8.027 10.510 247 1HD ARG 32 HD2 ARG 32 13.375 8.423 10.509 248 2HD ARG 32 HD3 ARG 32 13.210 7.038 11.592 249 HE ARG 32 HE ARG 32 13.802 6.134 8.922 250 1HH1 ARG 32 HH21 ARG 32 15.293 7.955 11.580 251 2HH1 ARG 32 HH22 ARG 32 16.912 7.506 11.193 252 1HH2 ARG 32 HH11 ARG 32 16.038 5.477 8.421 253 2HH2 ARG 32 HH12 ARG 32 17.318 6.082 9.393 254 H SER 33 H SER 33 9.847 2.831 8.263 255 HA SER 33 HA SER 33 8.227 1.355 8.549 256 1HB SER 33 HB2 SER 33 9.560 0.702 11.200 257 2HB SER 33 HB3 SER 33 8.535 -0.361 10.222 258 HG SER 33 HG SER 33 10.767 -0.766 9.904 259 H GLY 34 H GLY 34 7.583 4.066 9.402 260 1HA GLY 34 HA2 GLY 34 5.324 3.482 11.269 261 2HA GLY 34 HA3 GLY 34 6.474 4.779 11.615 262 H ALA 35 H ALA 35 5.933 4.460 8.235 263 HA ALA 35 HA ALA 35 4.682 6.989 7.984 264 1HB ALA 35 HB1 ALA 35 6.052 5.955 6.247 265 2HB ALA 35 HB2 ALA 35 4.836 4.669 6.010 266 3HB ALA 35 HB3 ALA 35 4.449 6.354 5.602 267 HA PRO 36 HA PRO 36 0.546 6.023 8.918 268 1HB PRO 36 HB2 PRO 36 -0.881 8.061 7.803 269 2HB PRO 36 HB3 PRO 36 0.373 8.340 9.047 270 1HG PRO 36 HG2 PRO 36 0.691 8.517 6.027 271 2HG PRO 36 HG3 PRO 36 1.130 9.752 7.254 272 1HD PRO 36 HD2 PRO 36 2.967 7.999 6.284 273 2HD PRO 36 HD3 PRO 36 2.973 8.484 8.007 274 H ALA 37 H ALA 37 1.440 5.361 5.714 275 HA ALA 37 HA ALA 37 -1.173 4.195 5.009 276 1HB ALA 37 HB1 ALA 37 0.219 6.341 3.332 277 2HB ALA 37 HB2 ALA 37 -1.290 5.491 2.918 278 3HB ALA 37 HB3 ALA 37 -1.249 6.597 4.300 279 H ALA 38 H ALA 38 -0.824 3.391 2.557 280 HA ALA 38 HA ALA 38 1.891 2.298 2.117 281 1HB ALA 38 HB1 ALA 38 -0.661 0.657 1.921 282 2HB ALA 38 HB2 ALA 38 0.991 0.125 1.522 283 3HB ALA 38 HB3 ALA 38 0.571 0.508 3.201 284 H GLU 39 H GLU 39 0.875 4.624 1.081 285 HA GLU 39 HA GLU 39 -0.049 4.206 -1.638 286 1HB GLU 39 HB2 GLU 39 1.266 6.554 -0.188 287 2HB GLU 39 HB3 GLU 39 0.712 6.648 -1.852 288 1HG GLU 39 HG2 GLU 39 -1.183 5.933 0.425 289 2HG GLU 39 HG3 GLU 39 -0.792 7.591 0.018 290 H SER 40 H SER 40 1.491 4.997 -3.491 291 HA SER 40 HA SER 40 4.335 4.489 -2.959 292 1HB SER 40 HB2 SER 40 2.947 3.139 -5.292 293 2HB SER 40 HB3 SER 40 4.603 2.908 -4.727 294 HG SER 40 HG SER 40 2.212 2.165 -3.374 295 H LYS 41 H LYS 41 5.700 5.256 -4.717 296 HA LYS 41 HA LYS 41 4.569 6.805 -6.895 297 1HB LYS 41 HB2 LYS 41 5.815 8.909 -6.347 298 2HB LYS 41 HB3 LYS 41 4.443 8.560 -5.324 299 1HG LYS 41 HG2 LYS 41 5.956 9.361 -3.844 300 2HG LYS 41 HG3 LYS 41 6.079 7.627 -3.604 301 1HD LYS 41 HD2 LYS 41 8.243 8.550 -3.398 302 2HD LYS 41 HD3 LYS 41 8.208 7.601 -4.875 303 1HE LYS 41 HE2 LYS 41 9.445 9.696 -5.133 304 2HE LYS 41 HE3 LYS 41 8.076 9.626 -6.235 305 1HZ LYS 41 HZ1 LYS 41 8.294 11.762 -5.260 306 2HZ LYS 41 HZ2 LYS 41 6.897 11.127 -4.710 307 3HZ LYS 41 HZ3 LYS 41 8.189 11.190 -3.698 308 H GLU 42 H GLU 42 6.468 7.694 -8.276 309 HA GLU 42 HA GLU 42 8.671 5.680 -8.172 310 1HB GLU 42 HB2 GLU 42 7.364 7.064 -10.555 311 2HB GLU 42 HB3 GLU 42 8.884 6.166 -10.626 312 1HG GLU 42 HG2 GLU 42 7.276 4.678 -11.359 313 2HG GLU 42 HG3 GLU 42 7.756 4.183 -9.708 314 H ILE 43 H ILE 43 10.778 6.405 -8.667 315 HA ILE 43 HA ILE 43 11.196 9.337 -8.801 316 HB ILE 43 HB ILE 43 13.197 9.100 -7.402 317 1HG1 ILE 43 HG12 ILE 43 12.205 6.312 -6.697 318 2HG1 ILE 43 HG13 ILE 43 13.610 6.652 -7.708 319 1HG2 ILE 43 HG21 ILE 43 12.051 9.202 -5.306 320 2HG2 ILE 43 HG22 ILE 43 10.941 9.796 -6.542 321 3HG2 ILE 43 HG23 ILE 43 10.748 8.142 -5.901 322 1HD1 ILE 43 HD11 ILE 43 13.334 7.396 -4.763 323 2HD1 ILE 43 HD12 ILE 43 14.316 6.101 -5.447 324 3HD1 ILE 43 HD13 ILE 43 14.721 7.790 -5.805 325 H VAL 44 H VAL 44 13.121 9.944 -9.830 326 HA VAL 44 HA VAL 44 13.964 8.013 -11.954 327 HB VAL 44 HB VAL 44 13.558 11.035 -11.946 328 1HG1 VAL 44 HG11 VAL 44 15.365 10.416 -13.517 329 2HG1 VAL 44 HG12 VAL 44 14.285 9.238 -14.293 330 3HG1 VAL 44 HG13 VAL 44 13.922 10.970 -14.369 331 1HG2 VAL 44 HG21 VAL 44 11.400 9.819 -11.952 332 2HG2 VAL 44 HG22 VAL 44 11.699 10.635 -13.484 333 3HG2 VAL 44 HG23 VAL 44 11.943 8.883 -13.364 334 H ARG 45 H ARG 45 16.109 7.511 -11.930 335 HA ARG 45 HA ARG 45 18.082 9.432 -10.795 336 1HB ARG 45 HB2 ARG 45 17.858 6.439 -10.184 337 2HB ARG 45 HB3 ARG 45 19.269 7.416 -9.795 338 1HG ARG 45 HG2 ARG 45 16.477 7.792 -8.639 339 2HG ARG 45 HG3 ARG 45 17.828 7.042 -7.843 340 1HD ARG 45 HD2 ARG 45 18.506 8.977 -7.011 341 2HD ARG 45 HD3 ARG 45 18.830 9.554 -8.644 342 HE ARG 45 HE ARG 45 16.636 10.418 -8.824 343 1HH1 ARG 45 HH21 ARG 45 17.466 9.545 -5.471 344 2HH1 ARG 45 HH22 ARG 45 16.005 10.183 -4.808 345 1HH2 ARG 45 HH11 ARG 45 14.709 11.204 -7.952 346 2HH2 ARG 45 HH12 ARG 45 14.415 11.164 -6.248 347 H GLY 46 H GLY 46 20.095 9.347 -11.873 348 1HA GLY 46 HA2 GLY 46 20.966 7.187 -13.465 349 2HA GLY 46 HA3 GLY 46 20.227 8.401 -14.528 350 H TYR 47 H TYR 47 23.137 7.455 -13.699 351 HA TYR 47 HA TYR 47 24.314 10.157 -13.712 352 1HB TYR 47 HB2 TYR 47 25.118 8.144 -11.586 353 2HB TYR 47 HB3 TYR 47 25.653 9.804 -11.745 354 HD1 TYR 47 HD1 TYR 47 24.244 11.669 -10.883 355 HD2 TYR 47 HD2 TYR 47 23.003 7.557 -10.615 356 HE1 TYR 47 HE1 TYR 47 22.621 12.282 -9.115 357 HE2 TYR 47 HE2 TYR 47 21.358 8.154 -8.849 358 HH TYR 47 HH TYR 47 21.058 11.506 -7.584 359 H LYS 48 H LYS 48 26.503 10.099 -14.380 360 HA LYS 48 HA LYS 48 27.251 8.043 -16.171 361 1HB LYS 48 HB2 LYS 48 27.926 10.325 -16.406 362 2HB LYS 48 HB3 LYS 48 28.767 10.326 -14.853 363 1HG LYS 48 HG2 LYS 48 30.548 9.003 -15.672 364 2HG LYS 48 HG3 LYS 48 29.658 8.526 -17.135 365 1HD LYS 48 HD2 LYS 48 29.832 10.668 -18.109 366 2HD LYS 48 HD3 LYS 48 30.231 11.455 -16.573 367 1HE LYS 48 HE2 LYS 48 32.418 10.400 -16.513 368 2HE LYS 48 HE3 LYS 48 32.062 9.459 -17.966 369 1HZ LYS 48 HZ1 LYS 48 31.987 11.504 -19.224 370 2HZ LYS 48 HZ2 LYS 48 32.199 12.419 -17.888 371 3HZ LYS 48 HZ3 LYS 48 33.396 11.453 -18.413 372 H TRP 49 H TRP 49 27.956 8.331 -12.663 373 HA TRP 49 HA TRP 49 30.010 6.329 -12.737 374 1HB TRP 49 HB2 TRP 49 29.581 6.152 -10.268 375 2HB TRP 49 HB3 TRP 49 30.116 7.688 -10.899 376 HD1 TRP 49 HD1 TRP 49 28.877 9.745 -10.145 377 HE1 TRP 49 HE1 TRP 49 26.794 10.259 -8.772 378 HE3 TRP 49 HE3 TRP 49 26.899 5.020 -9.869 379 HZ2 TRP 49 HZ2 TRP 49 24.537 8.800 -7.664 380 HZ3 TRP 49 HZ3 TRP 49 24.737 4.643 -8.768 381 HH2 TRP 49 HH2 TRP 49 23.523 6.523 -7.665 382 H ALA 50 H ALA 50 26.452 6.024 -12.755 383 HA ALA 50 HA ALA 50 26.652 3.153 -12.149 384 1HB ALA 50 HB1 ALA 50 24.270 4.894 -12.851 385 2HB ALA 50 HB2 ALA 50 24.239 3.140 -12.525 386 3HB ALA 50 HB3 ALA 50 24.741 4.253 -11.249 387 H GLU 51 H GLU 51 28.147 2.698 -13.882 388 HA GLU 51 HA GLU 51 27.438 3.019 -16.644 389 1HB GLU 51 HB2 GLU 51 29.325 1.025 -15.313 390 2HB GLU 51 HB3 GLU 51 29.212 1.336 -17.052 391 1HG GLU 51 HG2 GLU 51 29.730 3.773 -16.557 392 2HG GLU 51 HG3 GLU 51 30.095 3.283 -14.898 393 H TYR 52 H TYR 52 25.847 1.161 -14.347 394 HA TYR 52 HA TYR 52 24.466 -0.357 -16.401 395 1HB TYR 52 HB2 TYR 52 24.534 -2.376 -14.707 396 2HB TYR 52 HB3 TYR 52 25.715 -2.178 -15.983 397 HD1 TYR 52 HD1 TYR 52 27.969 -1.185 -15.484 398 HD2 TYR 52 HD2 TYR 52 25.260 -2.463 -12.396 399 HE1 TYR 52 HE1 TYR 52 29.873 -1.319 -13.884 400 HE2 TYR 52 HE2 TYR 52 27.135 -2.607 -10.786 401 HH TYR 52 HH TYR 52 29.429 -2.327 -10.458 402 H HIS 53 H HIS 53 22.316 -0.628 -15.824 403 HA HIS 53 HA HIS 53 21.168 1.238 -14.102 404 1HB HIS 53 HB2 HIS 53 19.752 -1.311 -14.930 405 2HB HIS 53 HB3 HIS 53 19.071 0.299 -14.715 406 HD1 HIS 53 HD1 HIS 53 19.426 2.012 -16.855 407 HD2 HIS 53 HD2 HIS 53 20.988 -1.890 -17.224 408 HE1 HIS 53 HE1 HIS 53 20.216 1.747 -19.279 409 H ALA 54 H ALA 54 22.073 -2.134 -13.441 410 HA ALA 54 HA ALA 54 20.627 -2.473 -11.028 411 1HB ALA 54 HB1 ALA 54 22.237 -4.274 -10.565 412 2HB ALA 54 HB2 ALA 54 21.694 -4.334 -12.251 413 3HB ALA 54 HB3 ALA 54 23.304 -3.684 -11.853 414 H ASP 55 H ASP 55 23.609 -0.633 -11.686 415 HA ASP 55 HA ASP 55 24.576 -0.663 -8.984 416 1HB ASP 55 HB2 ASP 55 25.889 0.028 -11.092 417 2HB ASP 55 HB3 ASP 55 25.027 1.542 -11.026 418 H ILE 56 H ILE 56 22.589 1.687 -10.846 419 HA ILE 56 HA ILE 56 22.173 3.407 -8.575 420 HB ILE 56 HB ILE 56 20.039 4.016 -10.141 421 1HG1 ILE 56 HG12 ILE 56 22.027 2.821 -12.090 422 2HG1 ILE 56 HG13 ILE 56 20.277 2.586 -11.953 423 1HG2 ILE 56 HG21 ILE 56 21.664 5.498 -9.159 424 2HG2 ILE 56 HG22 ILE 56 22.827 5.111 -10.449 425 3HG2 ILE 56 HG23 ILE 56 21.294 5.941 -10.817 426 1HD1 ILE 56 HD11 ILE 56 21.785 5.018 -12.978 427 2HD1 ILE 56 HD12 ILE 56 20.785 3.886 -13.898 428 3HD1 ILE 56 HD13 ILE 56 20.020 4.978 -12.717 429 H TYR 57 H TYR 57 20.250 0.655 -9.975 430 HA TYR 57 HA TYR 57 18.042 1.088 -8.256 431 1HB TYR 57 HB2 TYR 57 17.861 -0.500 -10.075 432 2HB TYR 57 HB3 TYR 57 19.145 -1.500 -9.398 433 HD1 TYR 57 HD1 TYR 57 15.938 0.059 -8.095 434 HD2 TYR 57 HD2 TYR 57 18.408 -3.471 -8.366 435 HE1 TYR 57 HE1 TYR 57 14.388 -1.128 -6.606 436 HE2 TYR 57 HE2 TYR 57 16.821 -4.694 -6.916 437 HH TYR 57 HH TYR 57 13.948 -3.134 -5.427 438 H ASP 58 H ASP 58 21.032 -0.883 -7.672 439 HA ASP 58 HA ASP 58 20.271 -1.727 -5.074 440 1HB ASP 58 HB2 ASP 58 22.044 -2.830 -6.319 441 2HB ASP 58 HB3 ASP 58 23.017 -1.355 -6.322 442 H LYS 59 H LYS 59 22.361 1.033 -6.110 443 HA LYS 59 HA LYS 59 22.995 1.992 -3.525 444 1HB LYS 59 HB2 LYS 59 24.210 2.656 -5.457 445 2HB LYS 59 HB3 LYS 59 22.788 3.346 -6.240 446 1HG LYS 59 HG2 LYS 59 22.852 5.297 -5.065 447 2HG LYS 59 HG3 LYS 59 23.495 4.542 -3.587 448 1HD LYS 59 HD2 LYS 59 25.704 4.365 -4.496 449 2HD LYS 59 HD3 LYS 59 25.164 4.881 -6.102 450 1HE LYS 59 HE2 LYS 59 24.538 7.104 -5.188 451 2HE LYS 59 HE3 LYS 59 25.062 6.596 -3.577 452 1HZ LYS 59 HZ1 LYS 59 27.313 6.371 -4.454 453 2HZ LYS 59 HZ2 LYS 59 26.826 6.832 -5.949 454 3HZ LYS 59 HZ3 LYS 59 26.765 7.883 -4.702 455 H VAL 60 H VAL 60 20.303 2.957 -5.717 456 HA VAL 60 HA VAL 60 19.369 4.959 -3.888 457 HB VAL 60 HB VAL 60 18.089 3.768 -6.350 458 1HG1 VAL 60 HG11 VAL 60 16.670 5.802 -6.295 459 2HG1 VAL 60 HG12 VAL 60 16.430 4.857 -4.820 460 3HG1 VAL 60 HG13 VAL 60 17.431 6.303 -4.760 461 1HG2 VAL 60 HG21 VAL 60 20.416 5.040 -6.486 462 2HG2 VAL 60 HG22 VAL 60 19.134 5.473 -7.561 463 3HG2 VAL 60 HG23 VAL 60 19.466 6.471 -6.106 464 H SER 61 H SER 61 18.289 1.547 -4.590 465 HA SER 61 HA SER 61 16.133 1.668 -2.720 466 1HB SER 61 HB2 SER 61 17.812 -0.748 -3.499 467 2HB SER 61 HB3 SER 61 16.204 -0.759 -2.737 468 HG SER 61 HG SER 61 16.991 -0.018 -5.317 469 H GLY 62 H GLY 62 19.660 1.213 -2.262 470 1HA GLY 62 HA2 GLY 62 19.612 0.447 0.476 471 2HA GLY 62 HA3 GLY 62 20.902 1.337 -0.361 472 H ASP 63 H ASP 63 19.782 3.745 -1.060 473 HA ASP 63 HA ASP 63 19.694 5.155 1.401 474 1HB ASP 63 HB2 ASP 63 20.364 6.185 -0.760 475 2HB ASP 63 HB3 ASP 63 18.679 6.146 -1.289 476 H MET 64 H MET 64 17.010 4.332 -0.894 477 HA MET 64 HA MET 64 14.935 5.445 0.659 478 1HB MET 64 HB2 MET 64 14.877 2.951 -1.093 479 2HB MET 64 HB3 MET 64 13.473 3.861 -0.552 480 1HG MET 64 HG2 MET 64 15.559 4.991 -2.421 481 2HG MET 64 HG3 MET 64 13.991 4.349 -2.865 482 1HE MET 64 HE1 MET 64 15.769 7.068 -0.626 483 2HE MET 64 HE2 MET 64 15.942 7.404 -2.371 484 3HE MET 64 HE3 MET 64 14.997 8.496 -1.336 485 H GLN 65 H GLN 65 16.325 2.083 0.914 486 HA GLN 65 HA GLN 65 14.503 1.324 2.976 487 1HB GLN 65 HB2 GLN 65 17.165 0.304 1.953 488 2HB GLN 65 HB3 GLN 65 16.430 -0.428 3.379 489 1HG GLN 65 HG2 GLN 65 14.466 -1.099 2.168 490 2HG GLN 65 HG3 GLN 65 14.960 -0.202 0.725 491 1HE2 GLN 65 HE22 GLN 65 17.174 -0.863 -0.160 492 2HE2 GLN 65 HE21 GLN 65 17.532 -2.589 -0.215 493 H LYS 66 H LYS 66 17.700 2.990 3.092 494 HA LYS 66 HA LYS 66 17.993 2.884 5.939 495 1HB LYS 66 HB2 LYS 66 19.835 3.516 4.550 496 2HB LYS 66 HB3 LYS 66 18.909 4.773 3.768 497 1HG LYS 66 HG2 LYS 66 18.847 6.009 6.024 498 2HG LYS 66 HG3 LYS 66 19.995 4.788 6.598 499 1HD LYS 66 HD2 LYS 66 21.264 6.699 5.864 500 2HD LYS 66 HD3 LYS 66 21.489 5.419 4.650 501 1HE LYS 66 HE2 LYS 66 19.721 6.488 3.235 502 2HE LYS 66 HE3 LYS 66 19.528 7.765 4.434 503 1HZ LYS 66 HZ1 LYS 66 21.661 8.591 3.900 504 2HZ LYS 66 HZ2 LYS 66 22.103 7.244 3.075 505 3HZ LYS 66 HZ3 LYS 66 20.956 8.221 2.452 506 H GLN 67 H GLN 67 16.208 5.218 3.769 507 HA GLN 67 HA GLN 67 15.170 6.774 5.966 508 1HB GLN 67 HB2 GLN 67 13.883 6.294 3.244 509 2HB GLN 67 HB3 GLN 67 13.469 7.542 4.422 510 1HG GLN 67 HG2 GLN 67 15.875 8.392 4.227 511 2HG GLN 67 HG3 GLN 67 16.092 7.250 2.905 512 1HE2 GLN 67 HE22 GLN 67 16.387 8.650 1.140 513 2HE2 GLN 67 HE21 GLN 67 15.195 9.857 0.704 514 H GLY 68 H GLY 68 13.996 3.850 4.363 515 1HA GLY 68 HA2 GLY 68 13.377 2.214 6.280 516 2HA GLY 68 HA3 GLY 68 12.025 3.316 6.535 517 H CYS 69 H CYS 69 12.552 3.428 3.274 518 HA CYS 69 HA CYS 69 9.984 2.354 2.712 519 1HB CYS 69 HB2 CYS 69 12.270 3.175 0.917 520 2HB CYS 69 HB3 CYS 69 10.588 3.026 0.415 521 HG CYS 69 HG CYS 69 11.188 5.555 0.588 522 H ASP 70 H ASP 70 9.757 1.017 0.605 523 HA ASP 70 HA ASP 70 11.719 -1.171 0.282 524 1HB ASP 70 HB2 ASP 70 9.816 -2.107 1.592 525 2HB ASP 70 HB3 ASP 70 8.687 -1.517 0.368 526 H CYS 71 H CYS 71 11.977 -1.595 -2.023 527 HA CYS 71 HA CYS 71 10.439 0.160 -3.837 528 1HB CYS 71 HB2 CYS 71 13.488 0.257 -3.585 529 2HB CYS 71 HB3 CYS 71 12.467 1.209 -4.668 530 HG CYS 71 HG CYS 71 11.030 1.789 -2.196 531 H GLU 72 H GLU 72 11.029 -0.132 -6.155 532 HA GLU 72 HA GLU 72 12.361 -2.657 -6.893 533 1HB GLU 72 HB2 GLU 72 10.146 -3.424 -6.299 534 2HB GLU 72 HB3 GLU 72 9.377 -2.094 -7.180 535 1HG GLU 72 HG2 GLU 72 10.075 -2.978 -9.300 536 2HG GLU 72 HG3 GLU 72 11.145 -4.156 -8.528 537 H CYS 73 H CYS 73 13.426 -2.265 -8.836 538 HA CYS 73 HA CYS 73 12.998 0.167 -10.356 539 1HB CYS 73 HB2 CYS 73 14.498 -1.073 -12.023 540 2HB CYS 73 HB3 CYS 73 15.207 -0.661 -10.467 541 HG CYS 73 HG CYS 73 16.000 -3.049 -11.362 542 H LEU 74 H LEU 74 11.248 0.469 -11.642 543 HA LEU 74 HA LEU 74 9.523 -1.752 -12.462 544 1HB LEU 74 HB2 LEU 74 9.612 1.171 -13.343 545 2HB LEU 74 HB3 LEU 74 8.386 -0.007 -13.795 546 HG LEU 74 HG LEU 74 8.886 1.154 -11.031 547 1HD1 LEU 74 HD11 LEU 74 6.498 1.205 -12.935 548 2HD1 LEU 74 HD12 LEU 74 6.566 1.945 -11.328 549 3HD1 LEU 74 HD13 LEU 74 7.620 2.548 -12.614 550 1HD2 LEU 74 HD21 LEU 74 6.900 -0.201 -10.291 551 2HD2 LEU 74 HD22 LEU 74 7.001 -1.119 -11.808 552 3HD2 LEU 74 HD23 LEU 74 8.329 -1.177 -10.622 553 H GLY 75 H GLY 75 12.244 0.069 -13.760 554 1HA GLY 75 HA2 GLY 75 13.107 -1.793 -15.618 555 2HA GLY 75 HA3 GLY 75 12.055 -0.669 -16.499 556 H GLY 76 H GLY 76 14.275 -0.187 -17.520 557 1HA GLY 76 HA2 GLY 76 15.056 2.386 -16.469 558 2HA GLY 76 HA3 GLY 76 16.385 1.214 -16.397 559 H GLY 77 H GLY 77 17.290 2.866 -17.941 560 1HA GLY 77 HA2 GLY 77 17.257 2.020 -20.653 561 2HA GLY 77 HA3 GLY 77 16.215 3.443 -20.460 562 H ARG 78 H ARG 78 17.804 4.572 -21.788 563 HA ARG 78 HA ARG 78 20.234 5.422 -20.288 564 1HB ARG 78 HB2 ARG 78 20.783 3.867 -22.105 565 2HB ARG 78 HB3 ARG 78 19.934 4.888 -23.275 566 1HG ARG 78 HG2 ARG 78 21.597 6.632 -23.067 567 2HG ARG 78 HG3 ARG 78 22.275 5.886 -21.618 568 1HD ARG 78 HD2 ARG 78 23.728 5.547 -23.518 569 2HD ARG 78 HD3 ARG 78 23.152 4.015 -22.855 570 HE ARG 78 HE ARG 78 21.386 4.244 -24.827 571 1HH1 ARG 78 HH21 ARG 78 24.911 4.805 -24.942 572 2HH1 ARG 78 HH22 ARG 78 25.044 4.341 -26.596 573 1HH2 ARG 78 HH11 ARG 78 21.555 3.669 -26.892 574 2HH2 ARG 78 HH12 ARG 78 23.065 3.696 -27.791 575 H ILE 79 H ILE 79 20.857 7.630 -20.666 576 HA ILE 79 HA ILE 79 18.693 9.382 -21.682 577 HB ILE 79 HB ILE 79 20.277 9.576 -19.084 578 1HG1 ILE 79 HG12 ILE 79 17.303 9.568 -19.759 579 2HG1 ILE 79 HG13 ILE 79 18.185 8.253 -19.006 580 1HG2 ILE 79 HG21 ILE 79 19.292 11.835 -18.778 581 2HG2 ILE 79 HG22 ILE 79 20.301 11.807 -20.204 582 3HG2 ILE 79 HG23 ILE 79 18.527 11.726 -20.376 583 1HD1 ILE 79 HD11 ILE 79 18.622 9.767 -17.020 584 2HD1 ILE 79 HD12 ILE 79 17.516 10.952 -17.760 585 3HD1 ILE 79 HD13 ILE 79 16.914 9.363 -17.301 586 H SER 80 H SER 80 19.433 10.918 -23.036 587 HA SER 80 HA SER 80 22.366 11.265 -23.408 588 1HB SER 80 HB2 SER 80 20.347 10.498 -25.566 589 2HB SER 80 HB3 SER 80 22.056 10.883 -25.828 590 HG SER 80 HG SER 80 21.685 8.640 -25.726 591 H HIS 81 H HIS 81 22.699 13.395 -23.266 592 HA HIS 81 HA HIS 81 20.715 15.361 -24.279 593 1HB HIS 81 HB2 HIS 81 21.678 16.362 -22.457 594 2HB HIS 81 HB3 HIS 81 23.141 15.402 -22.544 595 HD1 HIS 81 HD1 HIS 81 21.749 18.269 -24.856 596 HD2 HIS 81 HD2 HIS 81 25.188 16.852 -22.871 597 HE1 HIS 81 HE1 HIS 81 23.633 19.863 -25.455 598 H GLN 82 H GLN 82 20.942 16.237 -26.341 599 HA GLN 82 HA GLN 82 23.068 15.018 -28.059 600 1HB GLN 82 HB2 GLN 82 20.101 15.518 -28.534 601 2HB GLN 82 HB3 GLN 82 21.249 15.148 -29.825 602 1HG GLN 82 HG2 GLN 82 21.825 13.001 -28.771 603 2HG GLN 82 HG3 GLN 82 20.774 13.355 -27.402 604 1HE2 GLN 82 HE22 GLN 82 18.694 12.599 -27.511 605 2HE2 GLN 82 HE21 GLN 82 17.878 12.110 -28.978 606 H SER 83 H SER 83 24.267 16.437 -29.275 607 HA SER 83 HA SER 83 24.452 19.013 -28.378 608 1HB SER 83 HB2 SER 83 25.451 18.055 -31.076 609 2HB SER 83 HB3 SER 83 26.178 19.277 -30.018 610 HG SER 83 HG SER 83 26.669 17.656 -28.534 611 H GLN 84 H GLN 84 22.395 18.026 -31.093 612 HA GLN 84 HA GLN 84 22.406 20.605 -32.339 613 1HB GLN 84 HB2 GLN 84 20.144 19.600 -33.367 614 2HB GLN 84 HB3 GLN 84 21.739 19.262 -33.967 615 1HG GLN 84 HG2 GLN 84 20.326 17.447 -31.974 616 2HG GLN 84 HG3 GLN 84 20.113 17.303 -33.711 617 1HE2 GLN 84 HE22 GLN 84 21.363 15.375 -31.732 618 2HE2 GLN 84 HE21 GLN 84 22.949 15.049 -32.379 619 H ASP 85 H ASP 85 20.589 19.530 -29.521 620 HA ASP 85 HA ASP 85 19.432 22.201 -29.348 621 1HB ASP 85 HB2 ASP 85 17.717 20.928 -30.688 622 2HB ASP 85 HB3 ASP 85 17.571 19.780 -29.360 623 H LYS 86 H LYS 86 19.136 22.734 -27.188 624 HA LYS 86 HA LYS 86 20.681 21.615 -25.223 625 1HB LYS 86 HB2 LYS 86 18.038 22.917 -24.530 626 2HB LYS 86 HB3 LYS 86 19.563 23.055 -23.682 627 1HG LYS 86 HG2 LYS 86 18.850 24.306 -26.375 628 2HG LYS 86 HG3 LYS 86 18.827 25.133 -24.847 629 1HD LYS 86 HD2 LYS 86 21.436 23.930 -25.878 630 2HD LYS 86 HD3 LYS 86 20.806 25.451 -26.489 631 1HE LYS 86 HE2 LYS 86 22.069 26.326 -24.843 632 2HE LYS 86 HE3 LYS 86 20.565 26.125 -23.957 633 1HZ LYS 86 HZ1 LYS 86 22.914 24.316 -23.863 634 2HZ LYS 86 HZ2 LYS 86 22.429 25.323 -22.687 635 3HZ LYS 86 HZ3 LYS 86 21.515 24.030 -23.059 636 H LYS 87 H LYS 87 17.406 20.671 -26.070 637 HA LYS 87 HA LYS 87 16.377 19.438 -23.860 638 1HB LYS 87 HB2 LYS 87 15.578 19.880 -26.297 639 2HB LYS 87 HB3 LYS 87 16.134 18.245 -26.652 640 1HG LYS 87 HG2 LYS 87 14.535 17.396 -24.935 641 2HG LYS 87 HG3 LYS 87 14.068 19.068 -24.573 642 1HD LYS 87 HD2 LYS 87 13.504 17.505 -27.105 643 2HD LYS 87 HD3 LYS 87 12.372 18.200 -25.932 644 1HE LYS 87 HE2 LYS 87 13.485 20.490 -26.638 645 2HE LYS 87 HE3 LYS 87 13.993 19.592 -28.075 646 1HZ LYS 87 HZ1 LYS 87 11.563 19.064 -28.370 647 2HZ LYS 87 HZ2 LYS 87 11.256 20.086 -27.102 648 3HZ LYS 87 HZ3 LYS 87 11.907 20.663 -28.480 649 H ILE 88 H ILE 88 16.476 17.427 -22.851 650 HA ILE 88 HA ILE 88 18.668 15.588 -23.698 651 HB ILE 88 HB ILE 88 17.225 15.236 -21.085 652 1HG1 ILE 88 HG12 ILE 88 19.485 17.241 -21.505 653 2HG1 ILE 88 HG13 ILE 88 17.845 17.603 -20.958 654 1HG2 ILE 88 HG21 ILE 88 19.251 14.176 -20.383 655 2HG2 ILE 88 HG22 ILE 88 18.845 13.525 -21.957 656 3HG2 ILE 88 HG23 ILE 88 20.125 14.743 -21.811 657 1HD1 ILE 88 HD11 ILE 88 19.956 16.082 -19.388 658 2HD1 ILE 88 HD12 ILE 88 19.297 17.682 -19.061 659 3HD1 ILE 88 HD13 ILE 88 18.252 16.257 -18.890 660 H HIS 89 H HIS 89 18.071 13.240 -23.771 661 HA HIS 89 HA HIS 89 15.172 12.799 -24.307 662 1HB HIS 89 HB2 HIS 89 16.664 13.161 -26.348 663 2HB HIS 89 HB3 HIS 89 17.491 11.664 -25.901 664 HD1 HIS 89 HD1 HIS 89 13.982 12.912 -26.990 665 HD2 HIS 89 HD2 HIS 89 16.348 9.429 -26.737 666 HE1 HIS 89 HE1 HIS 89 12.720 11.081 -28.245 667 H VAL 90 H VAL 90 14.438 10.691 -23.818 668 HA VAL 90 HA VAL 90 16.250 8.984 -22.169 669 HB VAL 90 HB VAL 90 13.280 9.475 -21.692 670 1HG1 VAL 90 HG11 VAL 90 13.706 8.442 -19.523 671 2HG1 VAL 90 HG12 VAL 90 14.273 7.370 -20.812 672 3HG1 VAL 90 HG13 VAL 90 15.439 8.310 -19.878 673 1HG2 VAL 90 HG21 VAL 90 15.605 10.917 -20.354 674 2HG2 VAL 90 HG22 VAL 90 14.265 11.635 -21.269 675 3HG2 VAL 90 HG23 VAL 90 13.947 10.866 -19.716 676 H TYR 91 H TYR 91 16.341 6.877 -22.979 677 HA TYR 91 HA TYR 91 14.162 5.766 -24.562 678 1HB TYR 91 HB2 TYR 91 15.178 5.761 -26.671 679 2HB TYR 91 HB3 TYR 91 15.211 7.403 -26.129 680 HD1 TYR 91 HD1 TYR 91 17.911 6.659 -24.291 681 HD2 TYR 91 HD2 TYR 91 16.731 6.366 -28.426 682 HE1 TYR 91 HE1 TYR 91 20.251 6.895 -24.959 683 HE2 TYR 91 HE2 TYR 91 19.098 6.609 -29.113 684 HH TYR 91 HH TYR 91 21.302 6.943 -28.389 685 H GLY 92 H GLY 92 15.375 3.775 -25.922 686 1HA GLY 92 HA2 GLY 92 16.489 1.771 -25.735 687 2HA GLY 92 HA3 GLY 92 17.483 2.479 -24.451 688 H TYR 93 H TYR 93 17.323 0.377 -23.407 689 HA TYR 93 HA TYR 93 15.099 0.259 -21.544 690 1HB TYR 93 HB2 TYR 93 14.646 -2.117 -21.960 691 2HB TYR 93 HB3 TYR 93 14.189 -1.122 -23.327 692 HD1 TYR 93 HD1 TYR 93 15.492 -1.226 -25.464 693 HD2 TYR 93 HD2 TYR 93 16.277 -3.875 -22.150 694 HE1 TYR 93 HE1 TYR 93 16.674 -2.777 -26.983 695 HE2 TYR 93 HE2 TYR 93 17.485 -5.416 -23.649 696 HH TYR 93 HH TYR 93 18.155 -5.852 -25.840 697 H SER 94 H SER 94 15.684 -1.032 -19.649 698 HA SER 94 HA SER 94 18.533 -1.193 -19.169 699 1HB SER 94 HB2 SER 94 17.170 -0.729 -17.279 700 2HB SER 94 HB3 SER 94 16.112 -2.121 -17.594 701 HG SER 94 HG SER 94 17.894 -2.291 -15.928 702 H MET 95 H MET 95 19.858 -2.863 -19.680 703 HA MET 95 HA MET 95 18.882 -5.194 -21.025 704 1HB MET 95 HB2 MET 95 21.148 -4.146 -21.288 705 2HB MET 95 HB3 MET 95 21.603 -4.798 -19.706 706 1HG MET 95 HG2 MET 95 21.403 -7.066 -20.516 707 2HG MET 95 HG3 MET 95 20.544 -6.535 -21.961 708 1HE MET 95 HE1 MET 95 25.125 -6.129 -21.322 709 2HE MET 95 HE2 MET 95 23.972 -5.241 -20.304 710 3HE MET 95 HE3 MET 95 24.039 -7.019 -20.236 711 H ALA 96 H ALA 96 18.977 -4.392 -17.642 712 HA ALA 96 HA ALA 96 18.906 -7.258 -16.831 713 1HB ALA 96 HB1 ALA 96 20.546 -5.805 -15.694 714 2HB ALA 96 HB2 ALA 96 19.229 -4.721 -15.175 715 3HB ALA 96 HB3 ALA 96 19.299 -6.390 -14.576 716 H TYR 97 H TYR 97 16.928 -4.290 -16.910 717 HA TYR 97 HA TYR 97 14.727 -5.755 -15.514 718 1HB TYR 97 HB2 TYR 97 15.313 -2.789 -15.387 719 2HB TYR 97 HB3 TYR 97 14.160 -3.693 -14.417 720 HD1 TYR 97 HD1 TYR 97 16.846 -1.867 -13.848 721 HD2 TYR 97 HD2 TYR 97 15.709 -6.015 -13.444 722 HE1 TYR 97 HE1 TYR 97 18.541 -2.163 -12.070 723 HE2 TYR 97 HE2 TYR 97 17.409 -6.320 -11.689 724 HH TYR 97 HH TYR 97 19.083 -5.329 -10.437 725 H GLY 98 H GLY 98 15.448 -4.554 -18.570 726 1HA GLY 98 HA2 GLY 98 14.049 -4.380 -20.381 727 2HA GLY 98 HA3 GLY 98 12.642 -4.608 -19.337 728 HA PRO 99 HA PRO 99 13.096 -0.143 -20.723 729 1HB PRO 99 HB2 PRO 99 10.658 0.163 -21.977 730 2HB PRO 99 HB3 PRO 99 12.123 -0.431 -22.798 731 1HG PRO 99 HG2 PRO 99 9.835 -2.042 -21.651 732 2HG PRO 99 HG3 PRO 99 10.678 -2.265 -23.215 733 1HD PRO 99 HD2 PRO 99 11.247 -3.767 -20.999 734 2HD PRO 99 HD3 PRO 99 12.509 -3.316 -22.182 735 H ALA 100 H ALA 100 12.587 1.390 -19.286 736 HA ALA 100 HA ALA 100 10.533 1.031 -17.227 737 1HB ALA 100 HB1 ALA 100 12.576 2.332 -16.744 738 2HB ALA 100 HB2 ALA 100 12.262 3.354 -18.155 739 3HB ALA 100 HB3 ALA 100 11.192 3.429 -16.742 740 H GLN 101 H GLN 101 8.852 2.788 -16.984 741 HA GLN 101 HA GLN 101 7.481 3.435 -19.519 742 1HB GLN 101 HB2 GLN 101 6.808 3.934 -16.580 743 2HB GLN 101 HB3 GLN 101 5.873 4.596 -17.930 744 1HG GLN 101 HG2 GLN 101 5.454 2.323 -18.791 745 2HG GLN 101 HG3 GLN 101 6.361 1.633 -17.436 746 1HE2 GLN 101 HE22 GLN 101 3.451 3.616 -18.251 747 2HE2 GLN 101 HE21 GLN 101 2.556 3.190 -16.816 748 H HIS 102 H HIS 102 9.446 4.604 -20.286 749 HA HIS 102 HA HIS 102 10.622 6.757 -18.988 750 1HB HIS 102 HB2 HIS 102 10.212 6.449 -21.973 751 2HB HIS 102 HB3 HIS 102 11.440 7.444 -21.197 752 HD1 HIS 102 HD1 HIS 102 11.034 3.989 -22.543 753 HD2 HIS 102 HD2 HIS 102 13.080 5.876 -19.397 754 HE1 HIS 102 HE1 HIS 102 12.818 2.355 -21.736 755 H ALA 103 H ALA 103 7.450 6.746 -20.443 756 HA ALA 103 HA ALA 103 6.969 9.493 -20.833 757 1HB ALA 103 HB1 ALA 103 5.360 7.708 -21.407 758 2HB ALA 103 HB2 ALA 103 5.143 7.326 -19.684 759 3HB ALA 103 HB3 ALA 103 4.615 8.897 -20.322 760 H ILE 104 H ILE 104 7.159 7.556 -17.821 761 HA ILE 104 HA ILE 104 6.202 9.592 -16.026 762 HB ILE 104 HB ILE 104 8.074 7.224 -15.553 763 1HG1 ILE 104 HG12 ILE 104 5.798 6.564 -16.390 764 2HG1 ILE 104 HG13 ILE 104 6.199 5.955 -14.793 765 1HG2 ILE 104 HG21 ILE 104 8.406 8.706 -13.729 766 2HG2 ILE 104 HG22 ILE 104 6.674 9.054 -13.574 767 3HG2 ILE 104 HG23 ILE 104 7.308 7.449 -13.145 768 1HD1 ILE 104 HD11 ILE 104 4.538 8.480 -15.217 769 2HD1 ILE 104 HD12 ILE 104 3.859 6.835 -15.030 770 3HD1 ILE 104 HD13 ILE 104 4.797 7.555 -13.709 771 H SER 105 H SER 105 9.512 8.546 -17.093 772 HA SER 105 HA SER 105 10.966 10.365 -15.605 773 1HB SER 105 HB2 SER 105 11.569 9.441 -18.440 774 2HB SER 105 HB3 SER 105 12.713 9.990 -17.222 775 HG SER 105 HG SER 105 12.546 7.693 -17.303 776 H THR 106 H THR 106 9.639 10.839 -18.952 777 HA THR 106 HA THR 106 10.574 13.503 -19.138 778 HB THR 106 HB THR 106 8.707 13.705 -20.910 779 HG1 THR 106 HG1 THR 106 7.438 11.903 -20.089 780 1HG2 THR 106 HG21 THR 106 10.772 11.462 -21.095 781 2HG2 THR 106 HG22 THR 106 9.954 12.252 -22.460 782 3HG2 THR 106 HG23 THR 106 11.065 13.176 -21.444 783 H GLU 107 H GLU 107 7.391 12.315 -17.855 784 HA GLU 107 HA GLU 107 6.333 14.923 -17.454 785 1HB GLU 107 HB2 GLU 107 5.723 12.179 -16.229 786 2HB GLU 107 HB3 GLU 107 4.928 13.654 -15.668 787 1HG GLU 107 HG2 GLU 107 4.252 14.164 -18.036 788 2HG GLU 107 HG3 GLU 107 4.894 12.604 -18.528 789 H LYS 108 H LYS 108 8.203 12.782 -15.322 790 HA LYS 108 HA LYS 108 8.193 14.393 -12.981 791 1HB LYS 108 HB2 LYS 108 10.056 12.256 -14.113 792 2HB LYS 108 HB3 LYS 108 10.320 12.965 -12.536 793 1HG LYS 108 HG2 LYS 108 7.622 11.733 -13.161 794 2HG LYS 108 HG3 LYS 108 9.011 10.713 -12.742 795 1HD LYS 108 HD2 LYS 108 9.335 11.841 -10.646 796 2HD LYS 108 HD3 LYS 108 8.092 13.049 -11.041 797 1HE LYS 108 HE2 LYS 108 6.329 11.469 -10.885 798 2HE LYS 108 HE3 LYS 108 7.440 10.085 -10.860 799 1HZ LYS 108 HZ1 LYS 108 8.064 10.539 -8.705 800 2HZ LYS 108 HZ2 LYS 108 7.650 12.115 -8.747 801 3HZ LYS 108 HZ3 LYS 108 6.475 10.952 -8.645 802 H ILE 109 H ILE 109 10.724 14.050 -15.527 803 HA ILE 109 HA ILE 109 12.489 15.948 -14.362 804 HB ILE 109 HB ILE 109 12.203 14.778 -17.149 805 1HG1 ILE 109 HG12 ILE 109 14.413 14.306 -15.090 806 2HG1 ILE 109 HG13 ILE 109 12.941 13.340 -15.108 807 1HG2 ILE 109 HG21 ILE 109 14.504 15.647 -17.620 808 2HG2 ILE 109 HG22 ILE 109 13.318 16.939 -17.457 809 3HG2 ILE 109 HG23 ILE 109 14.426 16.574 -16.129 810 1HD1 ILE 109 HD11 ILE 109 14.659 12.139 -16.295 811 2HD1 ILE 109 HD12 ILE 109 13.437 12.657 -17.470 812 3HD1 ILE 109 HD13 ILE 109 14.992 13.511 -17.353 813 H LYS 110 H LYS 110 9.961 16.351 -16.969 814 HA LYS 110 HA LYS 110 10.597 19.082 -17.465 815 1HB LYS 110 HB2 LYS 110 8.011 17.502 -17.767 816 2HB LYS 110 HB3 LYS 110 8.141 19.210 -18.203 817 1HG LYS 110 HG2 LYS 110 9.883 18.776 -19.819 818 2HG LYS 110 HG3 LYS 110 9.932 17.063 -19.401 819 1HD LYS 110 HD2 LYS 110 8.142 16.562 -20.692 820 2HD LYS 110 HD3 LYS 110 7.193 17.912 -20.060 821 1HE LYS 110 HE2 LYS 110 8.503 19.472 -21.559 822 2HE LYS 110 HE3 LYS 110 9.281 18.063 -22.280 823 1HZ LYS 110 HZ1 LYS 110 6.352 18.558 -22.295 824 2HZ LYS 110 HZ2 LYS 110 7.345 18.811 -23.557 825 3HZ LYS 110 HZ3 LYS 110 7.102 17.295 -23.012 826 H ALA 111 H ALA 111 8.400 17.621 -15.001 827 HA ALA 111 HA ALA 111 7.466 20.130 -14.000 828 1HB ALA 111 HB1 ALA 111 7.763 17.448 -12.570 829 2HB ALA 111 HB2 ALA 111 6.796 18.828 -12.019 830 3HB ALA 111 HB3 ALA 111 6.352 17.980 -13.514 831 H LYS 112 H LYS 112 10.287 18.062 -13.064 832 HA LYS 112 HA LYS 112 10.846 19.773 -10.839 833 1HB LYS 112 HB2 LYS 112 11.193 17.171 -11.205 834 2HB LYS 112 HB3 LYS 112 12.760 17.651 -11.835 835 1HG LYS 112 HG2 LYS 112 12.954 17.081 -9.497 836 2HG LYS 112 HG3 LYS 112 13.198 18.821 -9.632 837 1HD LYS 112 HD2 LYS 112 10.983 19.272 -8.764 838 2HD LYS 112 HD3 LYS 112 10.496 17.575 -8.948 839 1HE LYS 112 HE2 LYS 112 12.071 16.898 -7.200 840 2HE LYS 112 HE3 LYS 112 12.686 18.550 -7.065 841 1HZ LYS 112 HZ1 LYS 112 11.056 18.065 -5.339 842 2HZ LYS 112 HZ2 LYS 112 10.494 19.245 -6.304 843 3HZ LYS 112 HZ3 LYS 112 9.900 17.731 -6.441 844 H TYR 113 H TYR 113 11.858 19.988 -14.124 845 HA TYR 113 HA TYR 113 13.317 21.294 -15.205 846 1HB TYR 113 HB2 TYR 113 12.238 22.976 -13.015 847 2HB TYR 113 HB3 TYR 113 13.705 23.608 -13.678 848 HD1 TYR 113 HD1 TYR 113 13.728 23.293 -16.496 849 HD2 TYR 113 HD2 TYR 113 10.445 24.220 -13.847 850 HE1 TYR 113 HE1 TYR 113 12.645 24.589 -18.296 851 HE2 TYR 113 HE2 TYR 113 9.359 25.526 -15.646 852 HH TYR 113 HH TYR 113 10.822 25.904 -18.912 853 HA PRO 114 HA PRO 114 17.103 20.289 -12.629 854 1HB PRO 114 HB2 PRO 114 17.988 17.948 -13.668 855 2HB PRO 114 HB3 PRO 114 16.737 18.006 -12.384 856 1HG PRO 114 HG2 PRO 114 16.335 17.731 -15.372 857 2HG PRO 114 HG3 PRO 114 15.600 16.754 -14.059 858 1HD PRO 114 HD2 PRO 114 14.317 18.895 -15.245 859 2HD PRO 114 HD3 PRO 114 14.070 18.440 -13.534 860 H ASP 115 H ASP 115 16.182 20.463 -16.014 861 HA ASP 115 HA ASP 115 18.719 21.849 -16.581 862 1HB ASP 115 HB2 ASP 115 19.235 19.602 -17.325 863 2HB ASP 115 HB3 ASP 115 17.743 19.524 -18.268 864 H TYR 116 H TYR 116 15.982 20.730 -18.738 865 HA TYR 116 HA TYR 116 15.027 23.496 -18.950 866 1HB TYR 116 HB2 TYR 116 17.188 23.128 -20.375 867 2HB TYR 116 HB3 TYR 116 16.176 22.244 -21.478 868 HD1 TYR 116 HD1 TYR 116 13.668 24.293 -21.019 869 HD2 TYR 116 HD2 TYR 116 17.866 24.724 -21.961 870 HE1 TYR 116 HE1 TYR 116 13.207 26.461 -22.080 871 HE2 TYR 116 HE2 TYR 116 17.404 26.897 -23.035 872 HH TYR 116 HH TYR 116 15.782 28.485 -23.567 873 H GLU 117 H GLU 117 14.973 20.640 -21.198 874 HA GLU 117 HA GLU 117 12.206 20.001 -20.589 875 1HB GLU 117 HB2 GLU 117 11.849 21.850 -22.137 876 2HB GLU 117 HB3 GLU 117 13.046 21.205 -23.278 877 1HG GLU 117 HG2 GLU 117 11.551 19.262 -23.693 878 2HG GLU 117 HG3 GLU 117 10.410 19.911 -22.512 879 H VAL 118 H VAL 118 11.701 17.914 -21.714 880 HA VAL 118 HA VAL 118 13.976 16.578 -22.939 881 HB VAL 118 HB VAL 118 13.736 14.603 -21.461 882 1HG1 VAL 118 HG11 VAL 118 14.460 17.032 -19.782 883 2HG1 VAL 118 HG12 VAL 118 15.154 15.389 -19.743 884 3HG1 VAL 118 HG13 VAL 118 15.450 16.463 -21.120 885 1HG2 VAL 118 HG21 VAL 118 11.397 15.279 -20.574 886 2HG2 VAL 118 HG22 VAL 118 12.561 14.617 -19.418 887 3HG2 VAL 118 HG23 VAL 118 12.247 16.362 -19.479 888 H THR 119 H THR 119 13.375 14.419 -23.787 889 HA THR 119 HA THR 119 10.512 14.047 -24.435 890 HB THR 119 HB THR 119 11.386 13.490 -26.827 891 HG1 THR 119 HG1 THR 119 13.442 15.243 -25.948 892 1HG2 THR 119 HG21 THR 119 9.873 15.314 -26.517 893 2HG2 THR 119 HG22 THR 119 11.142 16.355 -25.863 894 3HG2 THR 119 HG23 THR 119 11.186 15.862 -27.574 895 H TRP 120 H TRP 120 10.361 11.783 -25.652 896 HA TRP 120 HA TRP 120 12.504 9.981 -24.898 897 1HB TRP 120 HB2 TRP 120 11.140 8.386 -23.750 898 2HB TRP 120 HB3 TRP 120 10.932 9.913 -22.925 899 HD1 TRP 120 HD1 TRP 120 8.514 11.234 -23.940 900 HE1 TRP 120 HE1 TRP 120 6.193 10.201 -24.059 901 HE3 TRP 120 HE3 TRP 120 9.864 6.306 -24.185 902 HZ2 TRP 120 HZ2 TRP 120 5.040 7.532 -24.119 903 HZ3 TRP 120 HZ3 TRP 120 8.134 4.536 -24.174 904 HH2 TRP 120 HH2 TRP 120 5.721 5.134 -24.151 905 H ALA 121 H ALA 121 12.056 7.768 -25.786 906 HA ALA 121 HA ALA 121 10.040 7.598 -27.879 907 1HB ALA 121 HB1 ALA 121 13.018 7.128 -28.455 908 2HB ALA 121 HB2 ALA 121 11.681 6.732 -29.556 909 3HB ALA 121 HB3 ALA 121 12.019 8.426 -29.150 910 H ASN 122 H ASN 122 9.406 5.439 -28.118 911 HA ASN 122 HA ASN 122 10.201 3.646 -25.931 912 1HB ASN 122 HB2 ASN 122 7.801 4.142 -26.506 913 2HB ASN 122 HB3 ASN 122 8.045 3.337 -28.056 914 1HD2 ASN 122 HD22 ASN 122 6.635 1.545 -27.695 915 2HD2 ASN 122 HD21 ASN 122 6.911 0.364 -26.442 916 H ASP 123 H ASP 123 12.336 3.963 -27.618 917 HA ASP 123 HA ASP 123 12.745 1.427 -28.993 918 1HB ASP 123 HB2 ASP 123 11.461 3.047 -30.596 919 2HB ASP 123 HB3 ASP 123 12.958 3.987 -30.609 920 H GLY 124 H GLY 124 15.046 1.955 -30.280 921 1HA GLY 124 HA2 GLY 124 17.240 2.804 -30.166 922 2HA GLY 124 HA3 GLY 124 16.816 3.747 -28.735 923 H TYR 125 H TYR 125 18.843 2.946 -27.833 924 HA TYR 125 HA TYR 125 18.577 0.415 -26.385 925 1HB TYR 125 HB2 TYR 125 21.012 1.174 -28.061 926 2HB TYR 125 HB3 TYR 125 20.993 -0.083 -26.839 927 HD1 TYR 125 HD1 TYR 125 20.816 0.426 -30.296 928 HD2 TYR 125 HD2 TYR 125 18.991 -1.885 -27.144 929 HE1 TYR 125 HE1 TYR 125 20.144 -1.291 -31.950 930 HE2 TYR 125 HE2 TYR 125 18.304 -3.603 -28.787 931 HH TYR 125 HH TYR 125 18.322 -4.253 -31.028 Start of MODEL 2 1 1H MET 1 H1 MET 1 12.649 13.897 16.830 2 2H MET 1 H2 MET 1 11.358 14.679 16.191 3 3H MET 1 H3 MET 1 11.135 13.589 17.387 4 HA MET 1 HA MET 1 12.097 13.007 14.679 5 1HB MET 1 HB2 MET 1 13.111 11.505 16.360 6 2HB MET 1 HB3 MET 1 11.512 11.074 16.968 7 1HG MET 1 HG2 MET 1 12.454 9.356 15.468 8 2HG MET 1 HG3 MET 1 10.932 9.998 14.881 9 1HE MET 1 HE1 MET 1 14.729 11.329 14.559 10 2HE MET 1 HE2 MET 1 14.750 9.570 14.288 11 3HE MET 1 HE3 MET 1 15.093 10.682 12.946 12 H ALA 2 H ALA 2 10.560 12.284 13.201 13 HA ALA 2 HA ALA 2 7.819 11.711 14.008 14 1HB ALA 2 HB1 ALA 2 6.862 13.346 12.399 15 2HB ALA 2 HB2 ALA 2 7.744 14.181 13.689 16 3HB ALA 2 HB3 ALA 2 8.483 13.996 12.080 17 H VAL 3 H VAL 3 6.650 10.804 12.063 18 HA VAL 3 HA VAL 3 8.354 8.990 10.654 19 HB VAL 3 HB VAL 3 5.476 9.639 9.915 20 1HG1 VAL 3 HG11 VAL 3 6.798 8.020 8.474 21 2HG1 VAL 3 HG12 VAL 3 6.992 6.984 9.898 22 3HG1 VAL 3 HG13 VAL 3 5.379 7.326 9.235 23 1HG2 VAL 3 HG21 VAL 3 5.389 9.289 12.334 24 2HG2 VAL 3 HG22 VAL 3 4.785 7.847 11.528 25 3HG2 VAL 3 HG23 VAL 3 6.430 7.853 12.201 26 H ALA 4 H ALA 4 9.088 9.070 8.519 27 HA ALA 4 HA ALA 4 9.125 11.648 7.110 28 1HB ALA 4 HB1 ALA 4 10.360 8.910 6.561 29 2HB ALA 4 HB2 ALA 4 10.532 10.308 5.477 30 3HB ALA 4 HB3 ALA 4 11.178 10.369 7.121 31 H ASP 5 H ASP 5 8.686 11.211 4.503 32 HA ASP 5 HA ASP 5 6.274 9.592 4.061 33 1HB ASP 5 HB2 ASP 5 5.347 11.664 5.054 34 2HB ASP 5 HB3 ASP 5 6.245 12.641 3.892 35 H LEU 6 H LEU 6 5.779 9.455 1.801 36 HA LEU 6 HA LEU 6 7.981 9.177 0.095 37 1HB LEU 6 HB2 LEU 6 4.989 9.440 -0.421 38 2HB LEU 6 HB3 LEU 6 6.140 9.057 -1.682 39 HG LEU 6 HG LEU 6 5.714 7.332 0.786 40 1HD1 LEU 6 HD11 LEU 6 4.576 5.789 -0.846 41 2HD1 LEU 6 HD12 LEU 6 3.697 7.294 -0.535 42 3HD1 LEU 6 HD13 LEU 6 4.593 7.083 -2.042 43 1HD2 LEU 6 HD21 LEU 6 7.947 6.986 -0.157 44 2HD2 LEU 6 HD22 LEU 6 6.924 5.608 -0.532 45 3HD2 LEU 6 HD23 LEU 6 7.259 6.803 -1.790 46 H ALA 7 H ALA 7 5.959 12.076 0.601 47 HA ALA 7 HA ALA 7 6.767 13.378 -1.803 48 1HB ALA 7 HB1 ALA 7 5.735 14.551 0.812 49 2HB ALA 7 HB2 ALA 7 5.793 15.378 -0.757 50 3HB ALA 7 HB3 ALA 7 4.727 13.978 -0.541 51 H LEU 8 H LEU 8 8.399 12.893 1.276 52 HA LEU 8 HA LEU 8 10.048 15.305 1.112 53 1HB LEU 8 HB2 LEU 8 10.434 12.801 2.800 54 2HB LEU 8 HB3 LEU 8 11.252 14.343 3.012 55 HG LEU 8 HG LEU 8 8.289 13.798 3.454 56 1HD1 LEU 8 HD11 LEU 8 10.490 14.562 5.417 57 2HD1 LEU 8 HD12 LEU 8 8.796 14.186 5.802 58 3HD1 LEU 8 HD13 LEU 8 9.870 12.921 5.179 59 1HD2 LEU 8 HD21 LEU 8 8.186 16.118 4.358 60 2HD2 LEU 8 HD22 LEU 8 9.836 16.410 3.765 61 3HD2 LEU 8 HD23 LEU 8 8.508 16.090 2.625 62 H ILE 9 H ILE 9 10.156 12.121 -0.256 63 HA ILE 9 HA ILE 9 12.953 11.691 -0.379 64 HB ILE 9 HB ILE 9 10.667 10.687 -2.121 65 1HG1 ILE 9 HG12 ILE 9 12.102 9.440 0.275 66 2HG1 ILE 9 HG13 ILE 9 10.479 10.134 0.313 67 1HG2 ILE 9 HG21 ILE 9 12.832 10.423 -3.305 68 2HG2 ILE 9 HG22 ILE 9 13.503 9.600 -1.882 69 3HG2 ILE 9 HG23 ILE 9 12.185 8.871 -2.821 70 1HD1 ILE 9 HD11 ILE 9 11.340 7.644 -1.164 71 2HD1 ILE 9 HD12 ILE 9 10.244 7.775 0.215 72 3HD1 ILE 9 HD13 ILE 9 9.750 8.419 -1.370 73 HA PRO 10 HA PRO 10 13.909 14.700 -3.704 74 1HB PRO 10 HB2 PRO 10 16.218 12.871 -4.285 75 2HB PRO 10 HB3 PRO 10 16.201 14.634 -4.026 76 1HG PRO 10 HG2 PRO 10 17.081 12.919 -2.087 77 2HG PRO 10 HG3 PRO 10 16.143 14.391 -1.683 78 1HD PRO 10 HD2 PRO 10 15.160 11.538 -1.863 79 2HD PRO 10 HD3 PRO 10 14.792 12.799 -0.646 80 H ASP 11 H ASP 11 12.393 14.447 -5.239 81 HA ASP 11 HA ASP 11 11.508 11.973 -6.195 82 1HB ASP 11 HB2 ASP 11 10.287 14.200 -5.939 83 2HB ASP 11 HB3 ASP 11 10.984 14.667 -7.494 84 H VAL 12 H VAL 12 13.789 14.249 -7.651 85 HA VAL 12 HA VAL 12 14.499 12.291 -9.728 86 HB VAL 12 HB VAL 12 13.849 15.226 -10.281 87 1HG1 VAL 12 HG11 VAL 12 15.763 14.532 -11.631 88 2HG1 VAL 12 HG12 VAL 12 14.899 13.079 -12.175 89 3HG1 VAL 12 HG13 VAL 12 14.339 14.697 -12.650 90 1HG2 VAL 12 HG21 VAL 12 12.139 14.381 -11.858 91 2HG2 VAL 12 HG22 VAL 12 12.440 12.722 -11.296 92 3HG2 VAL 12 HG23 VAL 12 11.767 13.932 -10.196 93 H ASP 13 H ASP 13 16.743 12.287 -9.949 94 HA ASP 13 HA ASP 13 18.246 14.706 -9.339 95 1HB ASP 13 HB2 ASP 13 18.225 13.743 -7.100 96 2HB ASP 13 HB3 ASP 13 18.794 12.196 -7.725 97 H ILE 14 H ILE 14 19.110 14.868 -11.254 98 HA ILE 14 HA ILE 14 20.922 12.870 -12.337 99 HB ILE 14 HB ILE 14 20.005 13.079 -14.606 100 1HG1 ILE 14 HG12 ILE 14 17.548 14.417 -13.387 101 2HG1 ILE 14 HG13 ILE 14 18.785 15.241 -14.338 102 1HG2 ILE 14 HG21 ILE 14 18.250 11.448 -14.438 103 2HG2 ILE 14 HG22 ILE 14 19.389 11.158 -13.126 104 3HG2 ILE 14 HG23 ILE 14 17.842 11.958 -12.785 105 1HD1 ILE 14 HD11 ILE 14 16.907 14.797 -15.762 106 2HD1 ILE 14 HD12 ILE 14 18.257 13.770 -16.284 107 3HD1 ILE 14 HD13 ILE 14 16.911 13.077 -15.346 108 H ASP 15 H ASP 15 22.243 14.044 -14.133 109 HA ASP 15 HA ASP 15 21.962 16.955 -14.229 110 1HB ASP 15 HB2 ASP 15 23.456 16.731 -12.297 111 2HB ASP 15 HB3 ASP 15 24.493 15.613 -13.191 112 H SER 16 H SER 16 22.445 17.606 -16.254 113 HA SER 16 HA SER 16 22.713 15.691 -18.297 114 1HB SER 16 HB2 SER 16 22.829 18.723 -18.517 115 2HB SER 16 HB3 SER 16 22.232 17.567 -19.723 116 HG SER 16 HG SER 16 20.571 18.613 -18.558 117 H ASP 17 H ASP 17 25.131 15.482 -16.868 118 HA ASP 17 HA ASP 17 27.310 17.035 -17.792 119 1HB ASP 17 HB2 ASP 17 27.386 15.636 -15.786 120 2HB ASP 17 HB3 ASP 17 27.191 14.177 -16.760 121 H GLY 18 H GLY 18 25.719 14.226 -19.275 122 1HA GLY 18 HA2 GLY 18 26.712 14.497 -21.861 123 2HA GLY 18 HA3 GLY 18 27.840 13.424 -21.005 124 H VAL 19 H VAL 19 27.119 11.657 -22.367 125 HA VAL 19 HA VAL 19 24.408 10.587 -22.112 126 HB VAL 19 HB VAL 19 27.054 9.452 -23.143 127 1HG1 VAL 19 HG11 VAL 19 25.650 7.657 -24.191 128 2HG1 VAL 19 HG12 VAL 19 25.716 7.560 -22.429 129 3HG1 VAL 19 HG13 VAL 19 24.273 8.224 -23.220 130 1HG2 VAL 19 HG21 VAL 19 26.131 11.269 -24.559 131 2HG2 VAL 19 HG22 VAL 19 26.030 9.707 -25.374 132 3HG2 VAL 19 HG23 VAL 19 24.577 10.412 -24.642 133 H PHE 20 H PHE 20 23.728 9.164 -20.489 134 HA PHE 20 HA PHE 20 25.573 7.504 -19.047 135 1HB PHE 20 HB2 PHE 20 24.983 8.254 -16.774 136 2HB PHE 20 HB3 PHE 20 25.932 9.442 -17.634 137 HD1 PHE 20 HD1 PHE 20 22.627 8.736 -16.144 138 HD2 PHE 20 HD2 PHE 20 24.953 11.576 -18.381 139 HE1 PHE 20 HE1 PHE 20 20.905 10.470 -15.726 140 HE2 PHE 20 HE2 PHE 20 23.195 13.288 -18.035 141 HZ PHE 20 HZ PHE 20 21.167 12.745 -16.706 142 H LYS 21 H LYS 21 24.229 6.177 -17.357 143 HA LYS 21 HA LYS 21 21.673 5.494 -18.715 144 1HB LYS 21 HB2 LYS 21 23.485 3.893 -16.868 145 2HB LYS 21 HB3 LYS 21 21.933 3.328 -17.488 146 1HG LYS 21 HG2 LYS 21 22.733 3.443 -19.801 147 2HG LYS 21 HG3 LYS 21 24.279 4.132 -19.264 148 1HD LYS 21 HD2 LYS 21 24.699 2.080 -17.921 149 2HD LYS 21 HD3 LYS 21 23.223 1.355 -18.584 150 1HE LYS 21 HE2 LYS 21 24.145 1.573 -20.882 151 2HE LYS 21 HE3 LYS 21 25.599 2.343 -20.229 152 1HZ LYS 21 HZ1 LYS 21 24.754 -0.449 -19.731 153 2HZ LYS 21 HZ2 LYS 21 26.032 0.037 -20.621 154 3HZ LYS 21 HZ3 LYS 21 26.035 0.273 -18.998 155 H TYR 22 H TYR 22 19.829 4.905 -17.401 156 HA TYR 22 HA TYR 22 19.788 6.098 -14.704 157 1HB TYR 22 HB2 TYR 22 18.503 7.839 -15.225 158 2HB TYR 22 HB3 TYR 22 18.985 7.595 -16.884 159 HD1 TYR 22 HD1 TYR 22 16.270 7.588 -14.511 160 HD2 TYR 22 HD2 TYR 22 17.502 6.063 -18.350 161 HE1 TYR 22 HE1 TYR 22 13.957 6.825 -14.938 162 HE2 TYR 22 HE2 TYR 22 15.194 5.270 -18.774 163 HH TYR 22 HH TYR 22 12.559 5.682 -16.363 164 H VAL 23 H VAL 23 17.589 5.583 -13.659 165 HA VAL 23 HA VAL 23 16.288 3.172 -14.681 166 HB VAL 23 HB VAL 23 18.259 2.469 -13.265 167 1HG1 VAL 23 HG11 VAL 23 16.644 3.560 -10.935 168 2HG1 VAL 23 HG12 VAL 23 18.147 2.640 -10.842 169 3HG1 VAL 23 HG13 VAL 23 18.136 4.272 -11.551 170 1HG2 VAL 23 HG21 VAL 23 16.387 0.951 -13.631 171 2HG2 VAL 23 HG22 VAL 23 17.104 0.735 -12.034 172 3HG2 VAL 23 HG23 VAL 23 15.556 1.594 -12.193 173 H LEU 24 H LEU 24 14.209 2.845 -13.681 174 HA LEU 24 HA LEU 24 13.047 5.294 -12.433 175 1HB LEU 24 HB2 LEU 24 12.276 4.816 -14.761 176 2HB LEU 24 HB3 LEU 24 11.776 3.208 -14.259 177 HG LEU 24 HG LEU 24 10.107 4.277 -12.672 178 1HD1 LEU 24 HD11 LEU 24 11.005 6.839 -14.070 179 2HD1 LEU 24 HD12 LEU 24 9.569 6.679 -13.044 180 3HD1 LEU 24 HD13 LEU 24 11.166 6.473 -12.332 181 1HD2 LEU 24 HD21 LEU 24 9.844 5.132 -15.583 182 2HD2 LEU 24 HD22 LEU 24 9.477 3.511 -14.939 183 3HD2 LEU 24 HD23 LEU 24 8.531 4.903 -14.406 184 H ILE 25 H ILE 25 12.534 4.808 -10.274 185 HA ILE 25 HA ILE 25 11.881 1.983 -9.661 186 HB ILE 25 HB ILE 25 13.923 1.776 -9.061 187 1HG1 ILE 25 HG12 ILE 25 12.565 1.493 -6.989 188 2HG1 ILE 25 HG13 ILE 25 14.303 1.642 -6.800 189 1HG2 ILE 25 HG21 ILE 25 14.468 4.584 -8.155 190 2HG2 ILE 25 HG22 ILE 25 15.618 3.205 -8.249 191 3HG2 ILE 25 HG23 ILE 25 14.890 3.876 -9.714 192 1HD1 ILE 25 HD11 ILE 25 13.172 2.828 -5.039 193 2HD1 ILE 25 HD12 ILE 25 14.117 3.939 -6.013 194 3HD1 ILE 25 HD13 ILE 25 12.345 3.870 -6.196 195 H ARG 26 H ARG 26 10.322 1.576 -8.396 196 HA ARG 26 HA ARG 26 8.527 3.739 -7.527 197 1HB ARG 26 HB2 ARG 26 7.637 1.798 -8.695 198 2HB ARG 26 HB3 ARG 26 8.360 0.686 -7.535 199 1HG ARG 26 HG2 ARG 26 6.859 1.287 -5.806 200 2HG ARG 26 HG3 ARG 26 6.371 2.786 -6.608 201 1HD ARG 26 HD2 ARG 26 5.770 0.021 -7.738 202 2HD ARG 26 HD3 ARG 26 4.659 0.921 -6.682 203 HE ARG 26 HE ARG 26 5.331 2.735 -8.640 204 1HH1 ARG 26 HH11 ARG 26 3.711 -0.435 -8.684 205 2HH1 ARG 26 HH12 ARG 26 2.842 -0.112 -10.137 206 1HH2 ARG 26 HH22 ARG 26 4.263 3.148 -10.559 207 2HH2 ARG 26 HH21 ARG 26 3.133 2.002 -11.219 208 H VAL 27 H VAL 27 8.058 4.114 -5.367 209 HA VAL 27 HA VAL 27 9.525 2.605 -3.271 210 HB VAL 27 HB VAL 27 8.872 5.588 -3.209 211 1HG1 VAL 27 HG11 VAL 27 10.438 5.593 -1.310 212 2HG1 VAL 27 HG12 VAL 27 9.141 4.436 -1.020 213 3HG1 VAL 27 HG13 VAL 27 10.747 3.870 -1.532 214 1HG2 VAL 27 HG21 VAL 27 11.559 4.348 -3.908 215 2HG2 VAL 27 HG22 VAL 27 10.550 5.355 -4.977 216 3HG2 VAL 27 HG23 VAL 27 11.275 6.062 -3.536 217 H HIS 28 H HIS 28 8.104 1.816 -1.772 218 HA HIS 28 HA HIS 28 5.203 2.466 -1.979 219 1HB HIS 28 HB2 HIS 28 6.692 0.320 -0.417 220 2HB HIS 28 HB3 HIS 28 4.946 0.448 -0.633 221 HD1 HIS 28 HD1 HIS 28 4.347 0.483 -3.551 222 HD2 HIS 28 HD2 HIS 28 7.804 -1.381 -2.037 223 HE1 HIS 28 HE1 HIS 28 5.084 -1.215 -5.308 224 H SER 29 H SER 29 4.017 3.030 -0.071 225 HA SER 29 HA SER 29 5.275 4.858 1.698 226 1HB SER 29 HB2 SER 29 2.589 3.508 2.009 227 2HB SER 29 HB3 SER 29 3.142 4.958 2.862 228 HG SER 29 HG SER 29 2.782 4.691 0.052 229 H ALA 30 H ALA 30 7.034 3.614 2.537 230 HA ALA 30 HA ALA 30 6.294 2.609 5.196 231 1HB ALA 30 HB1 ALA 30 6.643 0.585 3.909 232 2HB ALA 30 HB2 ALA 30 8.207 1.161 3.319 233 3HB ALA 30 HB3 ALA 30 7.985 0.787 5.042 234 HA PRO 31 HA PRO 31 10.350 5.367 5.069 235 1HB PRO 31 HB2 PRO 31 8.423 7.646 5.409 236 2HB PRO 31 HB3 PRO 31 10.089 7.655 4.736 237 1HG PRO 31 HG2 PRO 31 7.887 7.758 3.135 238 2HG PRO 31 HG3 PRO 31 9.357 6.873 2.663 239 1HD PRO 31 HD2 PRO 31 6.756 5.810 3.723 240 2HD PRO 31 HD3 PRO 31 7.906 5.094 2.544 241 H ARG 32 H ARG 32 11.124 5.564 7.075 242 HA ARG 32 HA ARG 32 11.325 4.882 9.192 243 1HB ARG 32 HB2 ARG 32 9.469 7.259 9.511 244 2HB ARG 32 HB3 ARG 32 10.381 6.525 10.842 245 1HG ARG 32 HG2 ARG 32 12.508 6.912 9.619 246 2HG ARG 32 HG3 ARG 32 11.616 7.725 8.326 247 1HD ARG 32 HD2 ARG 32 10.826 9.419 9.959 248 2HD ARG 32 HD3 ARG 32 11.777 8.635 11.230 249 HE ARG 32 HE ARG 32 13.706 9.027 9.457 250 1HH1 ARG 32 HH21 ARG 32 11.226 11.340 10.543 251 2HH1 ARG 32 HH22 ARG 32 12.129 12.731 10.048 252 1HH2 ARG 32 HH11 ARG 32 14.926 10.880 8.896 253 2HH2 ARG 32 HH12 ARG 32 14.298 12.459 9.161 254 H SER 33 H SER 33 9.358 3.291 7.827 255 HA SER 33 HA SER 33 7.988 1.594 8.242 256 1HB SER 33 HB2 SER 33 9.334 1.605 10.964 257 2HB SER 33 HB3 SER 33 8.673 0.209 10.094 258 HG SER 33 HG SER 33 10.949 0.390 9.871 259 H GLY 34 H GLY 34 6.680 4.170 8.840 260 1HA GLY 34 HA2 GLY 34 4.451 3.120 10.484 261 2HA GLY 34 HA3 GLY 34 5.316 4.539 11.093 262 H ALA 35 H ALA 35 4.930 4.122 7.609 263 HA ALA 35 HA ALA 35 3.679 6.654 7.299 264 1HB ALA 35 HB1 ALA 35 3.450 5.992 4.940 265 2HB ALA 35 HB2 ALA 35 5.056 5.561 5.554 266 3HB ALA 35 HB3 ALA 35 3.803 4.305 5.366 267 HA PRO 36 HA PRO 36 -0.473 5.580 8.212 268 1HB PRO 36 HB2 PRO 36 -1.910 7.630 7.135 269 2HB PRO 36 HB3 PRO 36 -0.684 7.891 8.410 270 1HG PRO 36 HG2 PRO 36 -0.314 8.168 5.404 271 2HG PRO 36 HG3 PRO 36 0.082 9.370 6.679 272 1HD PRO 36 HD2 PRO 36 1.963 7.672 5.684 273 2HD PRO 36 HD3 PRO 36 1.936 8.114 7.417 274 H ALA 37 H ALA 37 0.549 4.959 5.075 275 HA ALA 37 HA ALA 37 -2.014 3.812 4.195 276 1HB ALA 37 HB1 ALA 37 -2.015 5.137 2.125 277 2HB ALA 37 HB2 ALA 37 -2.040 6.230 3.517 278 3HB ALA 37 HB3 ALA 37 -0.524 5.973 2.626 279 H ALA 38 H ALA 38 -1.443 3.112 1.696 280 HA ALA 38 HA ALA 38 1.295 2.007 1.502 281 1HB ALA 38 HB1 ALA 38 -1.218 0.383 0.977 282 2HB ALA 38 HB2 ALA 38 0.470 -0.135 0.740 283 3HB ALA 38 HB3 ALA 38 -0.133 0.186 2.377 284 H GLU 39 H GLU 39 0.375 4.379 0.418 285 HA GLU 39 HA GLU 39 -0.225 3.946 -2.403 286 1HB GLU 39 HB2 GLU 39 0.800 6.393 -0.880 287 2HB GLU 39 HB3 GLU 39 0.332 6.392 -2.578 288 1HG GLU 39 HG2 GLU 39 -1.514 5.858 -0.212 289 2HG GLU 39 HG3 GLU 39 -1.431 7.334 -1.161 290 H SER 40 H SER 40 1.463 4.857 -4.037 291 HA SER 40 HA SER 40 4.242 4.465 -3.196 292 1HB SER 40 HB2 SER 40 3.167 3.037 -5.651 293 2HB SER 40 HB3 SER 40 4.767 2.891 -4.921 294 HG SER 40 HG SER 40 2.308 2.048 -3.767 295 H LYS 41 H LYS 41 5.744 5.297 -4.848 296 HA LYS 41 HA LYS 41 4.672 6.777 -7.108 297 1HB LYS 41 HB2 LYS 41 5.816 8.937 -6.468 298 2HB LYS 41 HB3 LYS 41 4.362 8.539 -5.587 299 1HG LYS 41 HG2 LYS 41 5.745 9.428 -3.971 300 2HG LYS 41 HG3 LYS 41 5.785 7.709 -3.685 301 1HD LYS 41 HD2 LYS 41 7.968 8.588 -3.296 302 2HD LYS 41 HD3 LYS 41 8.036 7.562 -4.711 303 1HE LYS 41 HE2 LYS 41 9.368 9.543 -5.060 304 2HE LYS 41 HE3 LYS 41 8.012 9.569 -6.180 305 1HZ LYS 41 HZ1 LYS 41 8.337 11.700 -5.243 306 2HZ LYS 41 HZ2 LYS 41 6.927 11.154 -4.633 307 3HZ LYS 41 HZ3 LYS 41 8.259 11.156 -3.669 308 H GLU 42 H GLU 42 6.514 7.676 -8.440 309 HA GLU 42 HA GLU 42 8.768 5.731 -8.312 310 1HB GLU 42 HB2 GLU 42 7.303 7.127 -10.580 311 2HB GLU 42 HB3 GLU 42 8.956 6.563 -10.778 312 1HG GLU 42 HG2 GLU 42 7.591 4.884 -11.662 313 2HG GLU 42 HG3 GLU 42 8.274 4.260 -10.167 314 H ILE 43 H ILE 43 10.886 6.467 -8.679 315 HA ILE 43 HA ILE 43 11.293 9.395 -8.847 316 HB ILE 43 HB ILE 43 13.241 9.216 -7.375 317 1HG1 ILE 43 HG12 ILE 43 12.299 6.384 -6.751 318 2HG1 ILE 43 HG13 ILE 43 13.758 6.810 -7.647 319 1HG2 ILE 43 HG21 ILE 43 10.789 8.196 -5.906 320 2HG2 ILE 43 HG22 ILE 43 12.023 9.349 -5.339 321 3HG2 ILE 43 HG23 ILE 43 10.893 9.831 -6.607 322 1HD1 ILE 43 HD11 ILE 43 13.211 7.482 -4.720 323 2HD1 ILE 43 HD12 ILE 43 14.295 6.239 -5.329 324 3HD1 ILE 43 HD13 ILE 43 14.667 7.948 -5.634 325 H VAL 44 H VAL 44 13.281 9.987 -9.818 326 HA VAL 44 HA VAL 44 14.092 8.041 -11.943 327 HB VAL 44 HB VAL 44 13.741 11.064 -12.099 328 1HG1 VAL 44 HG11 VAL 44 15.315 10.151 -13.778 329 2HG1 VAL 44 HG12 VAL 44 14.055 9.018 -14.322 330 3HG1 VAL 44 HG13 VAL 44 13.831 10.759 -14.521 331 1HG2 VAL 44 HG21 VAL 44 11.509 10.083 -11.769 332 2HG2 VAL 44 HG22 VAL 44 11.713 10.685 -13.406 333 3HG2 VAL 44 HG23 VAL 44 11.812 8.936 -13.096 334 H ARG 45 H ARG 45 16.247 7.527 -11.745 335 HA ARG 45 HA ARG 45 18.135 9.636 -10.798 336 1HB ARG 45 HB2 ARG 45 18.007 6.763 -9.763 337 2HB ARG 45 HB3 ARG 45 19.280 7.913 -9.378 338 1HG ARG 45 HG2 ARG 45 16.339 8.155 -8.578 339 2HG ARG 45 HG3 ARG 45 17.672 7.671 -7.540 340 1HD ARG 45 HD2 ARG 45 18.724 9.873 -7.771 341 2HD ARG 45 HD3 ARG 45 17.419 10.414 -8.810 342 HE ARG 45 HE ARG 45 15.947 10.529 -7.019 343 1HH1 ARG 45 HH11 ARG 45 19.112 9.367 -5.926 344 2HH1 ARG 45 HH12 ARG 45 18.700 9.361 -4.250 345 1HH2 ARG 45 HH21 ARG 45 15.408 10.619 -4.807 346 2HH2 ARG 45 HH22 ARG 45 16.528 10.068 -3.599 347 H GLY 46 H GLY 46 20.203 9.445 -11.708 348 1HA GLY 46 HA2 GLY 46 21.160 7.182 -13.114 349 2HA GLY 46 HA3 GLY 46 20.451 8.327 -14.268 350 H TYR 47 H TYR 47 23.327 7.495 -13.563 351 HA TYR 47 HA TYR 47 24.502 10.188 -13.484 352 1HB TYR 47 HB2 TYR 47 25.321 8.117 -11.413 353 2HB TYR 47 HB3 TYR 47 25.877 9.774 -11.541 354 HD1 TYR 47 HD1 TYR 47 24.559 11.617 -10.540 355 HD2 TYR 47 HD2 TYR 47 23.138 7.556 -10.512 356 HE1 TYR 47 HE1 TYR 47 22.904 12.216 -8.799 357 HE2 TYR 47 HE2 TYR 47 21.481 8.134 -8.752 358 HH TYR 47 HH TYR 47 21.213 11.458 -7.410 359 H LYS 48 H LYS 48 26.787 10.079 -14.089 360 HA LYS 48 HA LYS 48 27.360 8.089 -16.008 361 1HB LYS 48 HB2 LYS 48 28.295 10.421 -15.934 362 2HB LYS 48 HB3 LYS 48 29.296 9.953 -14.561 363 1HG LYS 48 HG2 LYS 48 30.613 9.981 -16.578 364 2HG LYS 48 HG3 LYS 48 30.505 8.323 -15.995 365 1HD LYS 48 HD2 LYS 48 28.757 7.829 -17.689 366 2HD LYS 48 HD3 LYS 48 28.808 9.501 -18.255 367 1HE LYS 48 HE2 LYS 48 31.145 7.532 -18.312 368 2HE LYS 48 HE3 LYS 48 30.067 7.851 -19.672 369 1HZ LYS 48 HZ1 LYS 48 32.081 9.136 -19.860 370 2HZ LYS 48 HZ2 LYS 48 30.825 10.154 -19.666 371 3HZ LYS 48 HZ3 LYS 48 31.850 9.859 -18.421 372 H TRP 49 H TRP 49 28.181 8.190 -12.518 373 HA TRP 49 HA TRP 49 30.089 6.078 -12.677 374 1HB TRP 49 HB2 TRP 49 29.669 5.837 -10.207 375 2HB TRP 49 HB3 TRP 49 30.272 7.365 -10.793 376 HD1 TRP 49 HD1 TRP 49 29.169 9.440 -9.925 377 HE1 TRP 49 HE1 TRP 49 27.120 10.022 -8.528 378 HE3 TRP 49 HE3 TRP 49 26.893 4.842 -9.858 379 HZ2 TRP 49 HZ2 TRP 49 24.760 8.669 -7.514 380 HZ3 TRP 49 HZ3 TRP 49 24.691 4.563 -8.801 381 HH2 TRP 49 HH2 TRP 49 23.565 6.497 -7.680 382 H ALA 50 H ALA 50 26.538 5.942 -12.715 383 HA ALA 50 HA ALA 50 26.581 3.058 -12.153 384 1HB ALA 50 HB1 ALA 50 24.292 4.900 -12.901 385 2HB ALA 50 HB2 ALA 50 24.193 3.151 -12.549 386 3HB ALA 50 HB3 ALA 50 24.709 4.266 -11.281 387 H GLU 51 H GLU 51 28.144 2.673 -13.866 388 HA GLU 51 HA GLU 51 27.483 2.945 -16.635 389 1HB GLU 51 HB2 GLU 51 29.302 1.048 -15.084 390 2HB GLU 51 HB3 GLU 51 29.229 1.039 -16.843 391 1HG GLU 51 HG2 GLU 51 29.900 3.571 -15.289 392 2HG GLU 51 HG3 GLU 51 31.105 2.364 -15.712 393 H TYR 52 H TYR 52 25.899 1.071 -14.298 394 HA TYR 52 HA TYR 52 24.439 -0.366 -16.362 395 1HB TYR 52 HB2 TYR 52 24.409 -2.389 -14.682 396 2HB TYR 52 HB3 TYR 52 25.612 -2.240 -15.946 397 HD1 TYR 52 HD1 TYR 52 25.099 -2.462 -12.350 398 HD2 TYR 52 HD2 TYR 52 27.897 -1.390 -15.433 399 HE1 TYR 52 HE1 TYR 52 26.954 -2.673 -10.716 400 HE2 TYR 52 HE2 TYR 52 29.780 -1.592 -13.815 401 HH TYR 52 HH TYR 52 30.387 -2.078 -11.615 402 H HIS 53 H HIS 53 22.281 -0.520 -15.778 403 HA HIS 53 HA HIS 53 21.256 1.396 -14.025 404 1HB HIS 53 HB2 HIS 53 19.672 -1.027 -14.897 405 2HB HIS 53 HB3 HIS 53 19.104 0.624 -14.665 406 HD1 HIS 53 HD1 HIS 53 19.446 2.283 -16.834 407 HD2 HIS 53 HD2 HIS 53 20.987 -1.623 -17.143 408 HE1 HIS 53 HE1 HIS 53 20.261 1.993 -19.244 409 H ALA 54 H ALA 54 21.972 -2.030 -13.429 410 HA ALA 54 HA ALA 54 20.526 -2.331 -11.010 411 1HB ALA 54 HB1 ALA 54 22.072 -4.189 -10.559 412 2HB ALA 54 HB2 ALA 54 21.508 -4.228 -12.238 413 3HB ALA 54 HB3 ALA 54 23.146 -3.640 -11.859 414 H ASP 55 H ASP 55 23.564 -0.587 -11.668 415 HA ASP 55 HA ASP 55 24.496 -0.623 -8.953 416 1HB ASP 55 HB2 ASP 55 25.820 0.030 -11.100 417 2HB ASP 55 HB3 ASP 55 25.042 1.584 -10.964 418 H ILE 56 H ILE 56 22.500 1.684 -10.848 419 HA ILE 56 HA ILE 56 22.219 3.507 -8.621 420 HB ILE 56 HB ILE 56 20.055 4.114 -10.184 421 1HG1 ILE 56 HG12 ILE 56 22.034 2.861 -12.097 422 2HG1 ILE 56 HG13 ILE 56 20.277 2.681 -11.973 423 1HG2 ILE 56 HG21 ILE 56 21.659 5.587 -9.183 424 2HG2 ILE 56 HG22 ILE 56 22.837 5.212 -10.468 425 3HG2 ILE 56 HG23 ILE 56 21.300 6.035 -10.842 426 1HD1 ILE 56 HD11 ILE 56 20.854 3.949 -13.929 427 2HD1 ILE 56 HD12 ILE 56 20.086 5.048 -12.759 428 3HD1 ILE 56 HD13 ILE 56 21.856 5.068 -12.992 429 H TYR 57 H TYR 57 20.175 0.815 -9.934 430 HA TYR 57 HA TYR 57 18.017 1.372 -8.142 431 1HB TYR 57 HB2 TYR 57 17.719 -0.229 -9.948 432 2HB TYR 57 HB3 TYR 57 18.978 -1.282 -9.295 433 HD1 TYR 57 HD1 TYR 57 15.867 0.455 -8.037 434 HD2 TYR 57 HD2 TYR 57 18.229 -3.149 -8.069 435 HE1 TYR 57 HE1 TYR 57 14.271 -0.575 -6.471 436 HE2 TYR 57 HE2 TYR 57 16.617 -4.221 -6.529 437 HH TYR 57 HH TYR 57 13.727 -2.553 -5.227 438 H ASP 58 H ASP 58 21.018 -0.684 -7.705 439 HA ASP 58 HA ASP 58 20.388 -1.508 -5.074 440 1HB ASP 58 HB2 ASP 58 22.124 -2.591 -6.385 441 2HB ASP 58 HB3 ASP 58 23.088 -1.110 -6.409 442 H LYS 59 H LYS 59 22.382 1.295 -6.179 443 HA LYS 59 HA LYS 59 23.091 2.356 -3.666 444 1HB LYS 59 HB2 LYS 59 23.990 3.131 -5.858 445 2HB LYS 59 HB3 LYS 59 22.410 3.767 -6.283 446 1HG LYS 59 HG2 LYS 59 23.387 5.704 -5.599 447 2HG LYS 59 HG3 LYS 59 22.690 5.218 -4.070 448 1HD LYS 59 HD2 LYS 59 24.911 4.169 -3.454 449 2HD LYS 59 HD3 LYS 59 25.570 4.813 -4.982 450 1HE LYS 59 HE2 LYS 59 24.985 7.113 -4.273 451 2HE LYS 59 HE3 LYS 59 24.323 6.488 -2.757 452 1HZ LYS 59 HZ1 LYS 59 26.548 5.697 -2.188 453 2HZ LYS 59 HZ2 LYS 59 27.161 6.275 -3.590 454 3HZ LYS 59 HZ3 LYS 59 26.575 7.301 -2.469 455 H VAL 60 H VAL 60 20.268 3.213 -5.721 456 HA VAL 60 HA VAL 60 19.321 5.095 -3.786 457 HB VAL 60 HB VAL 60 18.067 3.949 -6.314 458 1HG1 VAL 60 HG11 VAL 60 16.572 5.929 -6.214 459 2HG1 VAL 60 HG12 VAL 60 16.327 4.887 -4.800 460 3HG1 VAL 60 HG13 VAL 60 17.262 6.372 -4.628 461 1HG2 VAL 60 HG21 VAL 60 18.878 5.877 -7.426 462 2HG2 VAL 60 HG22 VAL 60 19.377 6.668 -5.900 463 3HG2 VAL 60 HG23 VAL 60 20.260 5.278 -6.544 464 H SER 61 H SER 61 18.247 1.715 -4.657 465 HA SER 61 HA SER 61 16.043 1.724 -2.863 466 1HB SER 61 HB2 SER 61 16.492 0.066 -4.694 467 2HB SER 61 HB3 SER 61 17.751 -0.661 -3.672 468 HG SER 61 HG SER 61 15.651 -1.662 -3.544 469 H GLY 62 H GLY 62 19.567 1.087 -2.343 470 1HA GLY 62 HA2 GLY 62 19.438 0.273 0.361 471 2HA GLY 62 HA3 GLY 62 20.774 1.148 -0.417 472 H ASP 63 H ASP 63 19.687 3.620 -1.050 473 HA ASP 63 HA ASP 63 19.634 4.932 1.471 474 1HB ASP 63 HB2 ASP 63 20.379 6.001 -0.650 475 2HB ASP 63 HB3 ASP 63 18.697 6.064 -1.187 476 H MET 64 H MET 64 16.932 4.254 -0.869 477 HA MET 64 HA MET 64 14.874 5.370 0.712 478 1HB MET 64 HB2 MET 64 14.753 2.891 -1.058 479 2HB MET 64 HB3 MET 64 13.373 3.838 -0.507 480 1HG MET 64 HG2 MET 64 15.454 4.805 -2.467 481 2HG MET 64 HG3 MET 64 13.811 4.311 -2.802 482 1HE MET 64 HE1 MET 64 15.308 8.374 -1.467 483 2HE MET 64 HE2 MET 64 15.914 6.930 -0.643 484 3HE MET 64 HE3 MET 64 16.129 7.107 -2.404 485 H GLN 65 H GLN 65 16.232 2.001 0.846 486 HA GLN 65 HA GLN 65 14.418 1.133 2.855 487 1HB GLN 65 HB2 GLN 65 17.133 0.207 1.862 488 2HB GLN 65 HB3 GLN 65 16.321 -0.614 3.199 489 1HG GLN 65 HG2 GLN 65 14.420 -1.183 1.802 490 2HG GLN 65 HG3 GLN 65 15.032 -0.220 0.463 491 1HE2 GLN 65 HE22 GLN 65 16.104 -1.424 -1.126 492 2HE2 GLN 65 HE21 GLN 65 16.905 -2.948 -0.824 493 H LYS 66 H LYS 66 17.601 2.816 3.084 494 HA LYS 66 HA LYS 66 17.789 2.692 5.947 495 1HB LYS 66 HB2 LYS 66 19.684 3.245 4.573 496 2HB LYS 66 HB3 LYS 66 18.829 4.572 3.822 497 1HG LYS 66 HG2 LYS 66 18.814 5.750 6.096 498 2HG LYS 66 HG3 LYS 66 19.863 4.442 6.670 499 1HD LYS 66 HD2 LYS 66 21.280 6.278 6.010 500 2HD LYS 66 HD3 LYS 66 21.451 5.007 4.780 501 1HE LYS 66 HE2 LYS 66 19.770 6.229 3.353 502 2HE LYS 66 HE3 LYS 66 19.685 7.503 4.566 503 1HZ LYS 66 HZ1 LYS 66 21.900 8.125 4.058 504 2HZ LYS 66 HZ2 LYS 66 22.201 6.763 3.195 505 3HZ LYS 66 HZ3 LYS 66 21.149 7.864 2.608 506 H GLN 67 H GLN 67 16.117 5.008 3.704 507 HA GLN 67 HA GLN 67 14.999 6.617 5.835 508 1HB GLN 67 HB2 GLN 67 13.937 6.180 3.011 509 2HB GLN 67 HB3 GLN 67 13.393 7.385 4.172 510 1HG GLN 67 HG2 GLN 67 15.778 8.296 4.214 511 2HG GLN 67 HG3 GLN 67 16.140 7.195 2.887 512 1HE2 GLN 67 HE22 GLN 67 16.458 8.565 1.120 513 2HE2 GLN 67 HE21 GLN 67 15.279 9.770 0.635 514 H GLY 68 H GLY 68 14.229 3.409 4.684 515 1HA GLY 68 HA2 GLY 68 13.196 2.041 6.430 516 2HA GLY 68 HA3 GLY 68 11.936 3.270 6.595 517 H CYS 69 H CYS 69 12.538 3.238 3.366 518 HA CYS 69 HA CYS 69 9.935 2.273 2.799 519 1HB CYS 69 HB2 CYS 69 12.223 2.938 0.940 520 2HB CYS 69 HB3 CYS 69 10.508 2.963 0.526 521 HG CYS 69 HG CYS 69 11.429 5.417 0.693 522 H ASP 70 H ASP 70 9.697 1.007 0.631 523 HA ASP 70 HA ASP 70 11.506 -1.284 0.288 524 1HB ASP 70 HB2 ASP 70 9.601 -2.181 1.587 525 2HB ASP 70 HB3 ASP 70 8.465 -1.456 0.442 526 H CYS 71 H CYS 71 11.585 -1.805 -2.038 527 HA CYS 71 HA CYS 71 10.285 0.184 -3.811 528 1HB CYS 71 HB2 CYS 71 13.313 -0.186 -3.537 529 2HB CYS 71 HB3 CYS 71 12.474 0.886 -4.660 530 HG CYS 71 HG CYS 71 11.104 1.723 -2.213 531 H GLU 72 H GLU 72 10.845 -0.124 -6.124 532 HA GLU 72 HA GLU 72 12.020 -2.713 -6.938 533 1HB GLU 72 HB2 GLU 72 9.148 -1.864 -7.560 534 2HB GLU 72 HB3 GLU 72 10.014 -3.082 -8.478 535 1HG GLU 72 HG2 GLU 72 9.243 -3.264 -5.541 536 2HG GLU 72 HG3 GLU 72 8.455 -4.064 -6.890 537 H CYS 73 H CYS 73 13.215 -2.335 -8.836 538 HA CYS 73 HA CYS 73 12.961 0.216 -10.260 539 1HB CYS 73 HB2 CYS 73 14.526 -1.036 -11.908 540 2HB CYS 73 HB3 CYS 73 15.191 -0.545 -10.361 541 HG CYS 73 HG CYS 73 15.964 -2.999 -11.240 542 H LEU 74 H LEU 74 11.322 0.559 -11.647 543 HA LEU 74 HA LEU 74 9.596 -1.648 -12.512 544 1HB LEU 74 HB2 LEU 74 9.598 1.306 -13.267 545 2HB LEU 74 HB3 LEU 74 8.355 0.126 -13.669 546 HG LEU 74 HG LEU 74 9.049 1.205 -10.911 547 1HD1 LEU 74 HD11 LEU 74 6.481 1.276 -12.555 548 2HD1 LEU 74 HD12 LEU 74 6.751 2.037 -10.974 549 3HD1 LEU 74 HD13 LEU 74 7.641 2.610 -12.398 550 1HD2 LEU 74 HD21 LEU 74 7.141 -0.195 -10.059 551 2HD2 LEU 74 HD22 LEU 74 7.128 -1.063 -11.608 552 3HD2 LEU 74 HD23 LEU 74 8.546 -1.144 -10.533 553 H GLY 75 H GLY 75 12.329 0.176 -13.758 554 1HA GLY 75 HA2 GLY 75 13.141 -1.614 -15.686 555 2HA GLY 75 HA3 GLY 75 12.075 -0.478 -16.534 556 H GLY 76 H GLY 76 14.283 0.032 -17.592 557 1HA GLY 76 HA2 GLY 76 14.993 2.621 -16.558 558 2HA GLY 76 HA3 GLY 76 16.355 1.495 -16.434 559 H GLY 77 H GLY 77 17.260 3.137 -17.974 560 1HA GLY 77 HA2 GLY 77 17.319 2.245 -20.675 561 2HA GLY 77 HA3 GLY 77 16.274 3.672 -20.527 562 H ARG 78 H ARG 78 17.967 4.745 -21.845 563 HA ARG 78 HA ARG 78 20.280 5.632 -20.188 564 1HB ARG 78 HB2 ARG 78 20.885 4.068 -22.078 565 2HB ARG 78 HB3 ARG 78 20.250 5.277 -23.207 566 1HG ARG 78 HG2 ARG 78 21.969 6.903 -22.374 567 2HG ARG 78 HG3 ARG 78 22.540 5.685 -21.223 568 1HD ARG 78 HD2 ARG 78 24.017 5.788 -23.143 569 2HD ARG 78 HD3 ARG 78 23.223 4.228 -23.051 570 HE ARG 78 HE ARG 78 22.405 6.480 -24.878 571 1HH1 ARG 78 HH11 ARG 78 22.909 2.980 -24.367 572 2HH1 ARG 78 HH12 ARG 78 22.265 2.525 -25.916 573 1HH2 ARG 78 HH21 ARG 78 21.562 5.814 -26.967 574 2HH2 ARG 78 HH22 ARG 78 21.572 4.123 -27.390 575 H ILE 79 H ILE 79 20.934 7.805 -20.549 576 HA ILE 79 HA ILE 79 18.856 9.572 -21.703 577 HB ILE 79 HB ILE 79 20.607 9.888 -19.236 578 1HG1 ILE 79 HG12 ILE 79 17.598 10.008 -19.760 579 2HG1 ILE 79 HG13 ILE 79 18.452 8.693 -18.965 580 1HG2 ILE 79 HG21 ILE 79 19.793 12.229 -19.086 581 2HG2 ILE 79 HG22 ILE 79 20.709 12.006 -20.564 582 3HG2 ILE 79 HG23 ILE 79 18.929 12.043 -20.630 583 1HD1 ILE 79 HD11 ILE 79 19.054 10.245 -17.099 584 2HD1 ILE 79 HD12 ILE 79 18.034 11.493 -17.858 585 3HD1 ILE 79 HD13 ILE 79 17.314 9.980 -17.298 586 H SER 80 H SER 80 19.603 10.679 -23.434 587 HA SER 80 HA SER 80 22.492 11.119 -23.832 588 1HB SER 80 HB2 SER 80 20.773 9.575 -25.835 589 2HB SER 80 HB3 SER 80 22.487 9.985 -26.007 590 HG SER 80 HG SER 80 22.303 8.757 -23.719 591 H HIS 81 H HIS 81 22.881 12.724 -25.478 592 HA HIS 81 HA HIS 81 20.794 14.696 -25.885 593 1HB HIS 81 HB2 HIS 81 22.556 15.755 -27.314 594 2HB HIS 81 HB3 HIS 81 23.069 15.416 -25.672 595 HD1 HIS 81 HD1 HIS 81 23.217 12.549 -28.237 596 HD2 HIS 81 HD2 HIS 81 25.656 15.453 -26.400 597 HE1 HIS 81 HE1 HIS 81 25.628 11.899 -28.759 598 H GLN 82 H GLN 82 20.101 15.404 -28.088 599 HA GLN 82 HA GLN 82 20.153 13.268 -30.159 600 1HB GLN 82 HB2 GLN 82 17.845 13.552 -30.611 601 2HB GLN 82 HB3 GLN 82 17.969 13.385 -28.861 602 1HG GLN 82 HG2 GLN 82 17.975 16.015 -28.835 603 2HG GLN 82 HG3 GLN 82 17.433 15.896 -30.496 604 1HE2 GLN 82 HE22 GLN 82 16.612 15.225 -27.127 605 2HE2 GLN 82 HE21 GLN 82 14.893 14.924 -27.405 606 H SER 83 H SER 83 20.142 14.049 -32.322 607 HA SER 83 HA SER 83 21.819 16.185 -32.722 608 1HB SER 83 HB2 SER 83 19.953 14.991 -34.804 609 2HB SER 83 HB3 SER 83 21.576 15.662 -35.054 610 HG SER 83 HG SER 83 21.582 13.369 -34.984 611 H GLN 84 H GLN 84 18.360 16.464 -32.363 612 HA GLN 84 HA GLN 84 17.809 18.560 -34.160 613 1HB GLN 84 HB2 GLN 84 16.499 18.181 -31.425 614 2HB GLN 84 HB3 GLN 84 15.868 19.068 -32.810 615 1HG GLN 84 HG2 GLN 84 16.028 16.768 -34.066 616 2HG GLN 84 HG3 GLN 84 16.144 16.079 -32.440 617 1HE2 GLN 84 HE22 GLN 84 14.208 15.878 -31.198 618 2HE2 GLN 84 HE21 GLN 84 12.657 16.443 -31.782 619 H ASP 85 H ASP 85 18.886 18.730 -30.749 620 HA ASP 85 HA ASP 85 20.043 21.396 -31.083 621 1HB ASP 85 HB2 ASP 85 17.549 21.811 -30.847 622 2HB ASP 85 HB3 ASP 85 17.613 21.033 -29.271 623 H LYS 86 H LYS 86 20.721 18.574 -30.130 624 HA LYS 86 HA LYS 86 21.654 17.413 -28.502 625 1HB LYS 86 HB2 LYS 86 22.701 20.074 -27.478 626 2HB LYS 86 HB3 LYS 86 23.274 18.477 -26.991 627 1HG LYS 86 HG2 LYS 86 23.904 17.974 -29.347 628 2HG LYS 86 HG3 LYS 86 23.407 19.614 -29.813 629 1HD LYS 86 HD2 LYS 86 25.102 20.571 -28.261 630 2HD LYS 86 HD3 LYS 86 25.558 18.939 -27.760 631 1HE LYS 86 HE2 LYS 86 27.199 19.680 -29.328 632 2HE LYS 86 HE3 LYS 86 26.246 18.412 -30.099 633 1HZ LYS 86 HZ1 LYS 86 26.637 20.288 -31.574 634 2HZ LYS 86 HZ2 LYS 86 25.038 20.150 -31.300 635 3HZ LYS 86 HZ3 LYS 86 25.906 21.324 -30.556 636 H LYS 87 H LYS 87 18.875 18.600 -28.051 637 HA LYS 87 HA LYS 87 18.405 18.866 -25.262 638 1HB LYS 87 HB2 LYS 87 16.768 19.522 -26.949 639 2HB LYS 87 HB3 LYS 87 16.611 17.859 -27.532 640 1HG LYS 87 HG2 LYS 87 15.527 17.158 -25.492 641 2HG LYS 87 HG3 LYS 87 15.999 18.641 -24.649 642 1HD LYS 87 HD2 LYS 87 13.650 18.732 -25.174 643 2HD LYS 87 HD3 LYS 87 14.515 19.967 -26.098 644 1HE LYS 87 HE2 LYS 87 14.477 18.344 -28.082 645 2HE LYS 87 HE3 LYS 87 13.443 17.293 -27.106 646 1HZ LYS 87 HZ1 LYS 87 11.927 19.304 -26.908 647 2HZ LYS 87 HZ2 LYS 87 12.826 20.023 -28.060 648 3HZ LYS 87 HZ3 LYS 87 12.026 18.650 -28.421 649 H ILE 88 H ILE 88 18.478 17.347 -23.640 650 HA ILE 88 HA ILE 88 19.289 14.663 -24.235 651 HB ILE 88 HB ILE 88 18.757 14.273 -21.778 652 1HG1 ILE 88 HG12 ILE 88 18.704 17.307 -21.541 653 2HG1 ILE 88 HG13 ILE 88 17.213 16.389 -21.672 654 1HG2 ILE 88 HG21 ILE 88 21.010 14.669 -22.699 655 2HG2 ILE 88 HG22 ILE 88 20.782 16.423 -22.553 656 3HG2 ILE 88 HG23 ILE 88 20.848 15.401 -21.102 657 1HD1 ILE 88 HD11 ILE 88 17.882 15.040 -19.664 658 2HD1 ILE 88 HD12 ILE 88 19.329 16.057 -19.498 659 3HD1 ILE 88 HD13 ILE 88 17.717 16.770 -19.323 660 H HIS 89 H HIS 89 18.206 12.741 -23.965 661 HA HIS 89 HA HIS 89 15.257 12.733 -24.275 662 1HB HIS 89 HB2 HIS 89 16.560 12.938 -26.451 663 2HB HIS 89 HB3 HIS 89 17.387 11.444 -26.051 664 HD1 HIS 89 HD1 HIS 89 13.859 12.695 -27.003 665 HD2 HIS 89 HD2 HIS 89 16.238 9.235 -26.803 666 HE1 HIS 89 HE1 HIS 89 12.558 10.841 -28.214 667 H VAL 90 H VAL 90 14.366 10.752 -23.495 668 HA VAL 90 HA VAL 90 16.242 8.998 -21.969 669 HB VAL 90 HB VAL 90 13.312 9.501 -21.333 670 1HG1 VAL 90 HG11 VAL 90 13.899 8.666 -19.148 671 2HG1 VAL 90 HG12 VAL 90 14.599 7.551 -20.337 672 3HG1 VAL 90 HG13 VAL 90 15.635 8.718 -19.518 673 1HG2 VAL 90 HG21 VAL 90 15.652 11.158 -20.303 674 2HG2 VAL 90 HG22 VAL 90 14.234 11.736 -21.206 675 3HG2 VAL 90 HG23 VAL 90 14.033 11.114 -19.570 676 H TYR 91 H TYR 91 16.373 6.962 -22.924 677 HA TYR 91 HA TYR 91 14.034 5.745 -24.183 678 1HB TYR 91 HB2 TYR 91 14.712 5.868 -26.410 679 2HB TYR 91 HB3 TYR 91 14.814 7.488 -25.823 680 HD1 TYR 91 HD1 TYR 91 17.717 7.051 -24.432 681 HD2 TYR 91 HD2 TYR 91 16.048 6.247 -28.337 682 HE1 TYR 91 HE1 TYR 91 19.931 7.292 -25.413 683 HE2 TYR 91 HE2 TYR 91 18.289 6.525 -29.341 684 HH TYR 91 HH TYR 91 20.532 7.066 -28.953 685 H GLY 92 H GLY 92 15.082 3.842 -25.747 686 1HA GLY 92 HA2 GLY 92 16.361 1.909 -25.819 687 2HA GLY 92 HA3 GLY 92 17.435 2.575 -24.579 688 H TYR 93 H TYR 93 17.399 0.493 -23.523 689 HA TYR 93 HA TYR 93 15.145 0.179 -21.678 690 1HB TYR 93 HB2 TYR 93 15.017 -2.248 -22.107 691 2HB TYR 93 HB3 TYR 93 14.503 -1.315 -23.498 692 HD1 TYR 93 HD1 TYR 93 16.929 -3.737 -22.202 693 HD2 TYR 93 HD2 TYR 93 15.940 -1.206 -25.556 694 HE1 TYR 93 HE1 TYR 93 18.484 -5.028 -23.628 695 HE2 TYR 93 HE2 TYR 93 17.483 -2.490 -26.990 696 HH TYR 93 HH TYR 93 18.958 -4.302 -27.117 697 H SER 94 H SER 94 15.774 -0.954 -19.734 698 HA SER 94 HA SER 94 18.569 -0.752 -19.119 699 1HB SER 94 HB2 SER 94 17.114 -0.410 -17.313 700 2HB SER 94 HB3 SER 94 16.193 -1.892 -17.637 701 HG SER 94 HG SER 94 17.872 -1.856 -15.872 702 H MET 95 H MET 95 20.140 -2.225 -19.408 703 HA MET 95 HA MET 95 19.650 -4.768 -20.653 704 1HB MET 95 HB2 MET 95 22.067 -5.202 -20.190 705 2HB MET 95 HB3 MET 95 21.710 -3.757 -21.110 706 1HG MET 95 HG2 MET 95 23.511 -3.344 -19.566 707 2HG MET 95 HG3 MET 95 22.133 -2.327 -19.210 708 1HE MET 95 HE1 MET 95 24.437 -5.268 -18.054 709 2HE MET 95 HE2 MET 95 23.648 -5.835 -16.565 710 3HE MET 95 HE3 MET 95 22.886 -6.136 -18.139 711 H ALA 96 H ALA 96 19.069 -3.848 -17.430 712 HA ALA 96 HA ALA 96 19.361 -6.670 -16.480 713 1HB ALA 96 HB1 ALA 96 19.533 -5.692 -14.229 714 2HB ALA 96 HB2 ALA 96 20.813 -5.080 -15.292 715 3HB ALA 96 HB3 ALA 96 19.403 -4.059 -14.911 716 H TYR 97 H TYR 97 17.137 -3.921 -16.828 717 HA TYR 97 HA TYR 97 14.972 -5.530 -15.543 718 1HB TYR 97 HB2 TYR 97 15.382 -2.535 -15.316 719 2HB TYR 97 HB3 TYR 97 14.211 -3.516 -14.448 720 HD1 TYR 97 HD1 TYR 97 15.669 -5.744 -13.321 721 HD2 TYR 97 HD2 TYR 97 16.902 -1.630 -13.760 722 HE1 TYR 97 HE1 TYR 97 17.270 -6.036 -11.471 723 HE2 TYR 97 HE2 TYR 97 18.495 -1.909 -11.893 724 HH TYR 97 HH TYR 97 18.881 -5.038 -10.142 725 H GLY 98 H GLY 98 15.791 -4.308 -18.549 726 1HA GLY 98 HA2 GLY 98 14.483 -4.155 -20.427 727 2HA GLY 98 HA3 GLY 98 13.049 -4.503 -19.458 728 HA PRO 99 HA PRO 99 13.244 -0.014 -20.828 729 1HB PRO 99 HB2 PRO 99 10.877 0.156 -22.208 730 2HB PRO 99 HB3 PRO 99 12.405 -0.411 -22.937 731 1HG PRO 99 HG2 PRO 99 10.123 -2.076 -21.847 732 2HG PRO 99 HG3 PRO 99 11.030 -2.298 -23.375 733 1HD PRO 99 HD2 PRO 99 11.579 -3.726 -21.101 734 2HD PRO 99 HD3 PRO 99 12.860 -3.259 -22.256 735 H ALA 100 H ALA 100 12.656 1.467 -19.401 736 HA ALA 100 HA ALA 100 10.495 1.078 -17.454 737 1HB ALA 100 HB1 ALA 100 12.461 2.349 -16.757 738 2HB ALA 100 HB2 ALA 100 12.363 3.351 -18.223 739 3HB ALA 100 HB3 ALA 100 11.150 3.504 -16.932 740 H GLN 101 H GLN 101 8.838 2.831 -17.239 741 HA GLN 101 HA GLN 101 7.604 3.603 -19.810 742 1HB GLN 101 HB2 GLN 101 6.813 4.102 -16.904 743 2HB GLN 101 HB3 GLN 101 5.912 4.689 -18.308 744 1HG GLN 101 HG2 GLN 101 6.358 1.792 -17.516 745 2HG GLN 101 HG3 GLN 101 4.869 2.741 -17.360 746 1HE2 GLN 101 HE22 GLN 101 3.846 3.553 -19.442 747 2HE2 GLN 101 HE21 GLN 101 4.020 2.573 -20.874 748 H HIS 102 H HIS 102 9.505 4.854 -20.502 749 HA HIS 102 HA HIS 102 10.623 6.955 -19.042 750 1HB HIS 102 HB2 HIS 102 10.303 6.793 -22.044 751 2HB HIS 102 HB3 HIS 102 11.488 7.768 -21.176 752 HD1 HIS 102 HD1 HIS 102 11.198 4.374 -22.717 753 HD2 HIS 102 HD2 HIS 102 13.107 6.150 -19.429 754 HE1 HIS 102 HE1 HIS 102 12.925 2.696 -21.867 755 H ALA 103 H ALA 103 7.447 6.894 -20.394 756 HA ALA 103 HA ALA 103 6.856 9.656 -20.640 757 1HB ALA 103 HB1 ALA 103 4.538 8.913 -20.121 758 2HB ALA 103 HB2 ALA 103 5.311 7.875 -21.326 759 3HB ALA 103 HB3 ALA 103 5.154 7.313 -19.642 760 H ILE 104 H ILE 104 7.062 7.493 -17.761 761 HA ILE 104 HA ILE 104 6.069 9.389 -15.834 762 HB ILE 104 HB ILE 104 8.042 7.100 -15.430 763 1HG1 ILE 104 HG12 ILE 104 5.930 6.283 -16.505 764 2HG1 ILE 104 HG13 ILE 104 6.319 5.578 -14.949 765 1HG2 ILE 104 HG21 ILE 104 6.254 8.582 -13.462 766 2HG2 ILE 104 HG22 ILE 104 7.133 7.082 -13.094 767 3HG2 ILE 104 HG23 ILE 104 8.024 8.554 -13.504 768 1HD1 ILE 104 HD11 ILE 104 4.271 7.786 -15.341 769 2HD1 ILE 104 HD12 ILE 104 3.921 6.041 -15.243 770 3HD1 ILE 104 HD13 ILE 104 4.612 6.875 -13.841 771 H SER 105 H SER 105 9.382 8.348 -16.876 772 HA SER 105 HA SER 105 10.865 10.002 -15.278 773 1HB SER 105 HB2 SER 105 11.527 9.251 -18.151 774 2HB SER 105 HB3 SER 105 12.656 9.568 -16.831 775 HG SER 105 HG SER 105 12.268 7.316 -17.189 776 H THR 106 H THR 106 9.756 10.691 -18.620 777 HA THR 106 HA THR 106 10.887 13.284 -18.707 778 HB THR 106 HB THR 106 9.193 13.612 -20.623 779 HG1 THR 106 HG1 THR 106 8.906 10.802 -20.305 780 1HG2 THR 106 HG21 THR 106 11.144 11.267 -20.716 781 2HG2 THR 106 HG22 THR 106 10.489 12.169 -22.106 782 3HG2 THR 106 HG23 THR 106 11.546 12.977 -20.942 783 H GLU 107 H GLU 107 7.520 12.303 -17.730 784 HA GLU 107 HA GLU 107 6.655 14.979 -17.345 785 1HB GLU 107 HB2 GLU 107 5.768 12.324 -16.158 786 2HB GLU 107 HB3 GLU 107 5.041 13.858 -15.668 787 1HG GLU 107 HG2 GLU 107 4.467 14.371 -18.022 788 2HG GLU 107 HG3 GLU 107 5.141 12.829 -18.535 789 H LYS 108 H LYS 108 8.197 12.678 -15.011 790 HA LYS 108 HA LYS 108 8.096 14.523 -12.814 791 1HB LYS 108 HB2 LYS 108 9.974 12.184 -13.377 792 2HB LYS 108 HB3 LYS 108 9.936 13.084 -11.865 793 1HG LYS 108 HG2 LYS 108 7.743 11.289 -12.944 794 2HG LYS 108 HG3 LYS 108 8.769 11.056 -11.533 795 1HD LYS 108 HD2 LYS 108 7.671 13.367 -10.748 796 2HD LYS 108 HD3 LYS 108 6.450 12.953 -11.946 797 1HE LYS 108 HE2 LYS 108 5.674 12.179 -9.839 798 2HE LYS 108 HE3 LYS 108 6.117 10.737 -10.761 799 1HZ LYS 108 HZ1 LYS 108 8.026 10.451 -9.384 800 2HZ LYS 108 HZ2 LYS 108 8.030 12.001 -8.879 801 3HZ LYS 108 HZ3 LYS 108 6.896 10.964 -8.333 802 H ILE 109 H ILE 109 10.678 13.903 -15.252 803 HA ILE 109 HA ILE 109 12.531 15.760 -14.141 804 HB ILE 109 HB ILE 109 12.132 14.616 -16.923 805 1HG1 ILE 109 HG12 ILE 109 14.449 14.235 -14.969 806 2HG1 ILE 109 HG13 ILE 109 13.016 13.213 -14.924 807 1HG2 ILE 109 HG21 ILE 109 14.369 15.577 -17.528 808 2HG2 ILE 109 HG22 ILE 109 13.189 16.845 -17.238 809 3HG2 ILE 109 HG23 ILE 109 14.389 16.447 -16.003 810 1HD1 ILE 109 HD11 ILE 109 14.733 12.078 -16.199 811 2HD1 ILE 109 HD12 ILE 109 13.426 12.541 -17.305 812 3HD1 ILE 109 HD13 ILE 109 14.949 13.460 -17.269 813 H LYS 110 H LYS 110 9.992 16.254 -16.741 814 HA LYS 110 HA LYS 110 10.686 18.975 -17.114 815 1HB LYS 110 HB2 LYS 110 8.063 17.497 -17.561 816 2HB LYS 110 HB3 LYS 110 8.303 19.198 -18.002 817 1HG LYS 110 HG2 LYS 110 10.089 18.669 -19.526 818 2HG LYS 110 HG3 LYS 110 10.081 16.968 -19.046 819 1HD LYS 110 HD2 LYS 110 7.807 16.677 -19.931 820 2HD LYS 110 HD3 LYS 110 7.736 18.404 -20.364 821 1HE LYS 110 HE2 LYS 110 9.688 18.098 -21.876 822 2HE LYS 110 HE3 LYS 110 9.760 16.386 -21.447 823 1HZ LYS 110 HZ1 LYS 110 7.551 16.123 -22.448 824 2HZ LYS 110 HZ2 LYS 110 7.513 17.704 -22.865 825 3HZ LYS 110 HZ3 LYS 110 8.629 16.709 -23.525 826 H ALA 111 H ALA 111 8.467 17.476 -14.714 827 HA ALA 111 HA ALA 111 7.483 19.935 -13.649 828 1HB ALA 111 HB1 ALA 111 6.412 17.754 -13.230 829 2HB ALA 111 HB2 ALA 111 7.825 17.221 -12.293 830 3HB ALA 111 HB3 ALA 111 6.828 18.567 -11.709 831 H LYS 112 H LYS 112 10.262 17.847 -12.592 832 HA LYS 112 HA LYS 112 10.959 19.680 -10.461 833 1HB LYS 112 HB2 LYS 112 12.362 17.263 -11.648 834 2HB LYS 112 HB3 LYS 112 13.033 18.185 -10.310 835 1HG LYS 112 HG2 LYS 112 10.333 16.773 -10.319 836 2HG LYS 112 HG3 LYS 112 11.798 16.197 -9.530 837 1HD LYS 112 HD2 LYS 112 10.152 18.630 -8.748 838 2HD LYS 112 HD3 LYS 112 10.282 17.098 -7.893 839 1HE LYS 112 HE2 LYS 112 12.705 17.506 -7.494 840 2HE LYS 112 HE3 LYS 112 12.585 19.053 -8.340 841 1HZ LYS 112 HZ1 LYS 112 11.033 19.800 -6.633 842 2HZ LYS 112 HZ2 LYS 112 11.136 18.371 -5.845 843 3HZ LYS 112 HZ3 LYS 112 12.438 19.343 -5.952 844 H TYR 113 H TYR 113 11.792 19.569 -13.811 845 HA TYR 113 HA TYR 113 13.058 20.781 -15.139 846 1HB TYR 113 HB2 TYR 113 11.508 22.459 -13.852 847 2HB TYR 113 HB3 TYR 113 12.993 23.072 -13.173 848 HD1 TYR 113 HD1 TYR 113 14.545 24.388 -14.616 849 HD2 TYR 113 HD2 TYR 113 10.963 22.596 -16.222 850 HE1 TYR 113 HE1 TYR 113 14.729 25.827 -16.626 851 HE2 TYR 113 HE2 TYR 113 11.129 24.036 -18.225 852 HH TYR 113 HH TYR 113 12.317 25.724 -19.296 853 HA PRO 114 HA PRO 114 17.144 20.321 -12.818 854 1HB PRO 114 HB2 PRO 114 17.996 17.868 -13.595 855 2HB PRO 114 HB3 PRO 114 16.858 18.054 -12.221 856 1HG PRO 114 HG2 PRO 114 16.222 17.402 -15.101 857 2HG PRO 114 HG3 PRO 114 15.651 16.555 -13.628 858 1HD PRO 114 HD2 PRO 114 14.180 18.502 -14.916 859 2HD PRO 114 HD3 PRO 114 14.096 18.233 -13.147 860 H ASP 115 H ASP 115 15.739 19.999 -15.973 861 HA ASP 115 HA ASP 115 17.951 21.366 -17.257 862 1HB ASP 115 HB2 ASP 115 18.219 18.786 -17.622 863 2HB ASP 115 HB3 ASP 115 16.784 18.923 -18.635 864 H TYR 116 H TYR 116 16.961 21.943 -19.601 865 HA TYR 116 HA TYR 116 14.671 23.534 -18.916 866 1HB TYR 116 HB2 TYR 116 16.002 23.076 -21.613 867 2HB TYR 116 HB3 TYR 116 14.881 24.370 -21.216 868 HD1 TYR 116 HD1 TYR 116 15.548 26.132 -19.501 869 HD2 TYR 116 HD2 TYR 116 18.355 23.273 -21.106 870 HE1 TYR 116 HE1 TYR 116 17.420 27.559 -18.742 871 HE2 TYR 116 HE2 TYR 116 20.239 24.693 -20.351 872 HH TYR 116 HH TYR 116 19.735 27.817 -18.634 873 H GLU 117 H GLU 117 15.131 20.560 -20.887 874 HA GLU 117 HA GLU 117 12.347 19.889 -20.692 875 1HB GLU 117 HB2 GLU 117 12.480 21.624 -22.626 876 2HB GLU 117 HB3 GLU 117 13.386 20.407 -23.515 877 1HG GLU 117 HG2 GLU 117 11.435 18.878 -23.367 878 2HG GLU 117 HG3 GLU 117 10.572 20.050 -22.372 879 H VAL 118 H VAL 118 12.013 17.762 -21.929 880 HA VAL 118 HA VAL 118 14.341 16.231 -22.714 881 HB VAL 118 HB VAL 118 13.349 14.272 -21.290 882 1HG1 VAL 118 HG11 VAL 118 15.080 16.341 -19.930 883 2HG1 VAL 118 HG12 VAL 118 14.916 14.617 -19.499 884 3HG1 VAL 118 HG13 VAL 118 15.602 15.055 -21.053 885 1HG2 VAL 118 HG21 VAL 118 12.472 14.819 -19.119 886 2HG2 VAL 118 HG22 VAL 118 12.500 16.557 -19.463 887 3HG2 VAL 118 HG23 VAL 118 11.405 15.476 -20.359 888 H THR 119 H THR 119 13.494 14.074 -23.590 889 HA THR 119 HA THR 119 10.691 14.027 -24.437 890 HB THR 119 HB THR 119 11.651 13.444 -26.822 891 HG1 THR 119 HG1 THR 119 13.710 14.987 -25.634 892 1HG2 THR 119 HG21 THR 119 10.201 15.391 -26.404 893 2HG2 THR 119 HG22 THR 119 11.615 16.352 -25.923 894 3HG2 THR 119 HG23 THR 119 11.470 15.742 -27.589 895 H TRP 120 H TRP 120 10.396 11.722 -25.594 896 HA TRP 120 HA TRP 120 12.429 9.821 -24.719 897 1HB TRP 120 HB2 TRP 120 10.936 8.349 -23.586 898 2HB TRP 120 HB3 TRP 120 10.849 9.898 -22.782 899 HD1 TRP 120 HD1 TRP 120 8.568 11.383 -23.823 900 HE1 TRP 120 HE1 TRP 120 6.152 10.553 -23.847 901 HE3 TRP 120 HE3 TRP 120 9.459 6.345 -23.987 902 HZ2 TRP 120 HZ2 TRP 120 4.771 8.016 -23.988 903 HZ3 TRP 120 HZ3 TRP 120 7.570 4.749 -23.969 904 HH2 TRP 120 HH2 TRP 120 5.226 5.565 -23.997 905 H ALA 121 H ALA 121 11.876 7.598 -25.452 906 HA ALA 121 HA ALA 121 9.912 7.378 -27.556 907 1HB ALA 121 HB1 ALA 121 12.872 6.750 -28.086 908 2HB ALA 121 HB2 ALA 121 11.527 6.372 -29.184 909 3HB ALA 121 HB3 ALA 121 11.945 8.067 -28.843 910 H ASN 122 H ASN 122 9.235 5.205 -27.725 911 HA ASN 122 HA ASN 122 9.785 3.576 -25.363 912 1HB ASN 122 HB2 ASN 122 7.489 4.084 -26.200 913 2HB ASN 122 HB3 ASN 122 7.845 3.197 -27.682 914 1HD2 ASN 122 HD21 ASN 122 8.289 2.496 -24.097 915 2HD2 ASN 122 HD22 ASN 122 7.514 0.945 -24.192 916 H ASP 123 H ASP 123 11.968 3.800 -27.370 917 HA ASP 123 HA ASP 123 12.612 1.009 -27.726 918 1HB ASP 123 HB2 ASP 123 11.206 1.746 -29.828 919 2HB ASP 123 HB3 ASP 123 12.634 2.718 -30.223 920 H GLY 124 H GLY 124 14.843 1.122 -29.051 921 1HA GLY 124 HA2 GLY 124 16.589 2.969 -29.577 922 2HA GLY 124 HA3 GLY 124 16.561 3.243 -27.832 923 H TYR 125 H TYR 125 18.958 2.629 -28.698 924 HA TYR 125 HA TYR 125 19.538 0.055 -27.497 925 1HB TYR 125 HB2 TYR 125 19.267 -0.557 -29.901 926 2HB TYR 125 HB3 TYR 125 20.385 0.724 -30.358 927 HD1 TYR 125 HD1 TYR 125 20.127 -2.440 -28.361 928 HD2 TYR 125 HD2 TYR 125 22.735 0.293 -30.445 929 HE1 TYR 125 HE1 TYR 125 21.999 -4.039 -28.092 930 HE2 TYR 125 HE2 TYR 125 24.617 -1.298 -30.185 931 HH TYR 125 HH TYR 125 24.253 -4.462 -28.512 Start of MODEL 3 1 1H MET 1 H1 MET 1 11.191 14.563 16.891 2 2H MET 1 H2 MET 1 9.679 13.988 16.634 3 3H MET 1 H3 MET 1 10.958 12.978 16.533 4 HA MET 1 HA MET 1 10.388 15.221 14.726 5 1HB MET 1 HB2 MET 1 12.833 14.825 15.086 6 2HB MET 1 HB3 MET 1 12.630 13.156 14.540 7 1HG MET 1 HG2 MET 1 11.784 14.036 12.344 8 2HG MET 1 HG3 MET 1 12.108 15.675 12.902 9 1HE MET 1 HE1 MET 1 14.956 15.535 14.347 10 2HE MET 1 HE2 MET 1 16.002 15.858 12.951 11 3HE MET 1 HE3 MET 1 14.472 16.742 13.132 12 H ALA 2 H ALA 2 8.804 14.717 13.275 13 HA ALA 2 HA ALA 2 7.522 12.197 13.141 14 1HB ALA 2 HB1 ALA 2 6.465 14.336 12.482 15 2HB ALA 2 HB2 ALA 2 7.576 14.462 11.095 16 3HB ALA 2 HB3 ALA 2 6.384 13.151 11.167 17 H VAL 3 H VAL 3 7.367 10.731 11.267 18 HA VAL 3 HA VAL 3 9.902 9.879 10.224 19 HB VAL 3 HB VAL 3 8.487 8.300 8.944 20 1HG1 VAL 3 HG11 VAL 3 9.255 7.782 11.232 21 2HG1 VAL 3 HG12 VAL 3 7.738 8.426 11.890 22 3HG1 VAL 3 HG13 VAL 3 7.721 6.995 10.837 23 1HG2 VAL 3 HG21 VAL 3 6.447 9.686 8.601 24 2HG2 VAL 3 HG22 VAL 3 6.095 8.102 9.297 25 3HG2 VAL 3 HG23 VAL 3 6.070 9.541 10.332 26 H ALA 4 H ALA 4 10.398 9.686 7.897 27 HA ALA 4 HA ALA 4 9.917 12.105 6.375 28 1HB ALA 4 HB1 ALA 4 11.029 9.410 5.460 29 2HB ALA 4 HB2 ALA 4 11.131 10.945 4.589 30 3HB ALA 4 HB3 ALA 4 11.993 10.745 6.122 31 H ASP 5 H ASP 5 9.009 11.725 3.988 32 HA ASP 5 HA ASP 5 6.644 9.977 3.918 33 1HB ASP 5 HB2 ASP 5 5.816 11.995 5.085 34 2HB ASP 5 HB3 ASP 5 6.490 13.023 3.818 35 H LEU 6 H LEU 6 5.769 9.920 1.693 36 HA LEU 6 HA LEU 6 7.794 9.797 -0.254 37 1HB LEU 6 HB2 LEU 6 4.764 9.953 -0.580 38 2HB LEU 6 HB3 LEU 6 5.888 9.468 -1.829 39 HG LEU 6 HG LEU 6 5.245 7.977 0.704 40 1HD1 LEU 6 HD11 LEU 6 4.504 6.230 -0.902 41 2HD1 LEU 6 HD12 LEU 6 3.646 7.757 -1.168 42 3HD1 LEU 6 HD13 LEU 6 4.972 7.280 -2.251 43 1HD2 LEU 6 HD21 LEU 6 7.579 7.574 0.492 44 2HD2 LEU 6 HD22 LEU 6 6.803 6.174 -0.247 45 3HD2 LEU 6 HD23 LEU 6 7.484 7.429 -1.279 46 H ALA 7 H ALA 7 5.696 12.568 0.598 47 HA ALA 7 HA ALA 7 6.340 14.049 -1.769 48 1HB ALA 7 HB1 ALA 7 4.336 14.511 -0.392 49 2HB ALA 7 HB2 ALA 7 5.384 15.011 0.959 50 3HB ALA 7 HB3 ALA 7 5.366 15.947 -0.548 51 H LEU 8 H LEU 8 8.031 13.408 1.233 52 HA LEU 8 HA LEU 8 9.778 15.785 1.020 53 1HB LEU 8 HB2 LEU 8 9.673 13.533 3.070 54 2HB LEU 8 HB3 LEU 8 10.733 14.930 3.148 55 HG LEU 8 HG LEU 8 7.687 15.058 3.251 56 1HD1 LEU 8 HD11 LEU 8 8.637 14.002 5.254 57 2HD1 LEU 8 HD12 LEU 8 9.764 15.361 5.461 58 3HD1 LEU 8 HD13 LEU 8 8.012 15.610 5.631 59 1HD2 LEU 8 HD21 LEU 8 8.589 17.139 2.328 60 2HD2 LEU 8 HD22 LEU 8 8.050 17.409 3.985 61 3HD2 LEU 8 HD23 LEU 8 9.786 17.238 3.641 62 H ILE 9 H ILE 9 9.814 12.279 0.445 63 HA ILE 9 HA ILE 9 12.587 11.887 0.107 64 HB ILE 9 HB ILE 9 10.158 10.634 -1.217 65 1HG1 ILE 9 HG12 ILE 9 12.119 9.656 0.914 66 2HG1 ILE 9 HG13 ILE 9 10.500 10.275 1.229 67 1HG2 ILE 9 HG21 ILE 9 12.010 10.336 -2.801 68 2HG2 ILE 9 HG22 ILE 9 13.061 9.744 -1.498 69 3HG2 ILE 9 HG23 ILE 9 11.649 8.810 -2.030 70 1HD1 ILE 9 HD11 ILE 9 9.643 8.367 -0.267 71 2HD1 ILE 9 HD12 ILE 9 11.268 7.667 -0.074 72 3HD1 ILE 9 HD13 ILE 9 10.257 7.960 1.350 73 HA PRO 10 HA PRO 10 13.392 14.716 -3.354 74 1HB PRO 10 HB2 PRO 10 15.558 12.677 -3.904 75 2HB PRO 10 HB3 PRO 10 15.666 14.464 -3.914 76 1HG PRO 10 HG2 PRO 10 16.586 13.046 -1.791 77 2HG PRO 10 HG3 PRO 10 15.648 14.552 -1.529 78 1HD PRO 10 HD2 PRO 10 14.691 11.687 -1.350 79 2HD PRO 10 HD3 PRO 10 14.345 13.074 -0.271 80 H ASP 11 H ASP 11 12.484 14.682 -5.399 81 HA ASP 11 HA ASP 11 11.228 12.143 -6.165 82 1HB ASP 11 HB2 ASP 11 10.094 14.415 -5.877 83 2HB ASP 11 HB3 ASP 11 10.852 14.882 -7.406 84 H VAL 12 H VAL 12 13.417 14.547 -7.688 85 HA VAL 12 HA VAL 12 14.243 12.520 -9.693 86 HB VAL 12 HB VAL 12 13.516 15.420 -10.308 87 1HG1 VAL 12 HG11 VAL 12 14.503 13.189 -12.148 88 2HG1 VAL 12 HG12 VAL 12 13.949 14.795 -12.663 89 3HG1 VAL 12 HG13 VAL 12 15.406 14.646 -11.686 90 1HG2 VAL 12 HG21 VAL 12 11.771 14.477 -11.784 91 2HG2 VAL 12 HG22 VAL 12 12.116 12.848 -11.153 92 3HG2 VAL 12 HG23 VAL 12 11.455 14.108 -10.093 93 H ASP 13 H ASP 13 16.454 12.556 -9.960 94 HA ASP 13 HA ASP 13 17.994 14.953 -9.542 95 1HB ASP 13 HB2 ASP 13 17.972 14.197 -7.198 96 2HB ASP 13 HB3 ASP 13 18.458 12.575 -7.690 97 H ILE 14 H ILE 14 19.327 14.845 -11.303 98 HA ILE 14 HA ILE 14 20.361 12.257 -12.215 99 HB ILE 14 HB ILE 14 19.738 12.787 -14.567 100 1HG1 ILE 14 HG12 ILE 14 17.659 14.721 -13.449 101 2HG1 ILE 14 HG13 ILE 14 19.186 15.243 -14.176 102 1HG2 ILE 14 HG21 ILE 14 18.520 11.117 -13.170 103 2HG2 ILE 14 HG22 ILE 14 17.303 12.351 -12.791 104 3HG2 ILE 14 HG23 ILE 14 17.534 11.797 -14.463 105 1HD1 ILE 14 HD11 ILE 14 16.970 13.703 -15.582 106 2HD1 ILE 14 HD12 ILE 14 17.431 15.393 -15.826 107 3HD1 ILE 14 HD13 ILE 14 18.550 14.101 -16.300 108 H ASP 15 H ASP 15 22.117 12.496 -13.699 109 HA ASP 15 HA ASP 15 23.581 15.100 -13.508 110 1HB ASP 15 HB2 ASP 15 24.698 13.812 -11.974 111 2HB ASP 15 HB3 ASP 15 24.367 12.310 -12.813 112 H SER 16 H SER 16 22.873 15.747 -15.449 113 HA SER 16 HA SER 16 22.652 14.231 -17.779 114 1HB SER 16 HB2 SER 16 22.720 17.247 -17.452 115 2HB SER 16 HB3 SER 16 21.924 16.323 -18.741 116 HG SER 16 HG SER 16 20.492 17.004 -17.049 117 H ASP 17 H ASP 17 25.162 13.559 -17.294 118 HA ASP 17 HA ASP 17 27.311 15.167 -18.024 119 1HB ASP 17 HB2 ASP 17 27.686 13.044 -16.993 120 2HB ASP 17 HB3 ASP 17 26.869 12.179 -18.298 121 H GLY 18 H GLY 18 25.353 13.107 -20.217 122 1HA GLY 18 HA2 GLY 18 25.266 14.463 -22.516 123 2HA GLY 18 HA3 GLY 18 26.952 13.912 -22.560 124 H VAL 19 H VAL 19 26.665 11.373 -21.329 125 HA VAL 19 HA VAL 19 24.496 9.867 -22.592 126 HB VAL 19 HB VAL 19 27.431 9.133 -23.050 127 1HG1 VAL 19 HG11 VAL 19 26.014 7.138 -22.707 128 2HG1 VAL 19 HG12 VAL 19 24.884 7.713 -23.952 129 3HG1 VAL 19 HG13 VAL 19 26.542 7.251 -24.386 130 1HG2 VAL 19 HG21 VAL 19 25.356 10.007 -25.095 131 2HG2 VAL 19 HG22 VAL 19 26.844 10.874 -24.652 132 3HG2 VAL 19 HG23 VAL 19 26.950 9.322 -25.476 133 H PHE 20 H PHE 20 23.725 8.674 -20.824 134 HA PHE 20 HA PHE 20 25.526 7.310 -19.002 135 1HB PHE 20 HB2 PHE 20 24.786 8.425 -16.974 136 2HB PHE 20 HB3 PHE 20 25.603 9.565 -18.014 137 HD1 PHE 20 HD1 PHE 20 22.660 8.956 -16.088 138 HD2 PHE 20 HD2 PHE 20 24.082 11.120 -19.527 139 HE1 PHE 20 HE1 PHE 20 20.758 10.538 -15.880 140 HE2 PHE 20 HE2 PHE 20 22.152 12.656 -19.358 141 HZ PHE 20 HZ PHE 20 20.512 12.404 -17.500 142 H LYS 21 H LYS 21 24.095 6.097 -17.281 143 HA LYS 21 HA LYS 21 21.576 5.267 -18.651 144 1HB LYS 21 HB2 LYS 21 23.265 3.758 -16.609 145 2HB LYS 21 HB3 LYS 21 21.664 3.283 -17.162 146 1HG LYS 21 HG2 LYS 21 22.969 1.959 -18.455 147 2HG LYS 21 HG3 LYS 21 22.604 3.285 -19.559 148 1HD LYS 21 HD2 LYS 21 24.863 4.228 -19.194 149 2HD LYS 21 HD3 LYS 21 25.165 3.026 -17.921 150 1HE LYS 21 HE2 LYS 21 24.724 1.230 -19.709 151 2HE LYS 21 HE3 LYS 21 24.785 2.527 -20.908 152 1HZ LYS 21 HZ1 LYS 21 26.925 1.454 -20.670 153 2HZ LYS 21 HZ2 LYS 21 27.071 2.986 -20.124 154 3HZ LYS 21 HZ3 LYS 21 26.959 1.729 -19.059 155 H TYR 22 H TYR 22 19.750 4.704 -17.236 156 HA TYR 22 HA TYR 22 19.634 6.161 -14.693 157 1HB TYR 22 HB2 TYR 22 18.390 7.877 -15.391 158 2HB TYR 22 HB3 TYR 22 18.840 7.462 -17.024 159 HD1 TYR 22 HD1 TYR 22 17.333 5.707 -18.246 160 HD2 TYR 22 HD2 TYR 22 16.156 7.806 -14.668 161 HE1 TYR 22 HE1 TYR 22 15.012 4.911 -18.542 162 HE2 TYR 22 HE2 TYR 22 13.818 7.056 -14.987 163 HH TYR 22 HH TYR 22 12.376 5.796 -16.267 164 H VAL 23 H VAL 23 17.410 5.690 -13.649 165 HA VAL 23 HA VAL 23 16.137 3.220 -14.564 166 HB VAL 23 HB VAL 23 18.118 2.586 -13.140 167 1HG1 VAL 23 HG11 VAL 23 16.544 3.848 -10.860 168 2HG1 VAL 23 HG12 VAL 23 18.008 2.860 -10.707 169 3HG1 VAL 23 HG13 VAL 23 18.070 4.440 -11.515 170 1HG2 VAL 23 HG21 VAL 23 16.977 0.910 -11.817 171 2HG2 VAL 23 HG22 VAL 23 15.425 1.747 -12.024 172 3HG2 VAL 23 HG23 VAL 23 16.264 1.046 -13.425 173 H LEU 24 H LEU 24 14.066 2.887 -13.522 174 HA LEU 24 HA LEU 24 12.899 5.329 -12.265 175 1HB LEU 24 HB2 LEU 24 12.135 4.881 -14.610 176 2HB LEU 24 HB3 LEU 24 11.623 3.273 -14.123 177 HG LEU 24 HG LEU 24 9.962 4.382 -12.520 178 1HD1 LEU 24 HD11 LEU 24 11.044 6.601 -12.313 179 2HD1 LEU 24 HD12 LEU 24 10.797 6.889 -14.052 180 3HD1 LEU 24 HD13 LEU 24 9.412 6.755 -12.954 181 1HD2 LEU 24 HD21 LEU 24 9.311 3.521 -14.743 182 2HD2 LEU 24 HD22 LEU 24 8.379 4.947 -14.279 183 3HD2 LEU 24 HD23 LEU 24 9.692 5.106 -15.468 184 H ILE 25 H ILE 25 12.512 4.799 -10.085 185 HA ILE 25 HA ILE 25 11.852 1.951 -9.564 186 HB ILE 25 HB ILE 25 13.375 1.592 -8.143 187 1HG1 ILE 25 HG12 ILE 25 13.405 4.329 -6.875 188 2HG1 ILE 25 HG13 ILE 25 12.319 3.028 -6.387 189 1HG2 ILE 25 HG21 ILE 25 14.808 4.134 -8.961 190 2HG2 ILE 25 HG22 ILE 25 15.551 2.650 -8.346 191 3HG2 ILE 25 HG23 ILE 25 14.759 2.624 -9.916 192 1HD1 ILE 25 HD11 ILE 25 14.268 1.577 -5.897 193 2HD1 ILE 25 HD12 ILE 25 15.338 2.977 -6.180 194 3HD1 ILE 25 HD13 ILE 25 14.148 3.024 -4.874 195 H ARG 26 H ARG 26 10.186 1.469 -8.381 196 HA ARG 26 HA ARG 26 8.356 3.611 -7.522 197 1HB ARG 26 HB2 ARG 26 7.502 1.570 -8.607 198 2HB ARG 26 HB3 ARG 26 8.186 0.561 -7.337 199 1HG ARG 26 HG2 ARG 26 6.662 1.333 -5.704 200 2HG ARG 26 HG3 ARG 26 6.257 2.795 -6.611 201 1HD ARG 26 HD2 ARG 26 5.538 0.001 -7.579 202 2HD ARG 26 HD3 ARG 26 4.463 1.007 -6.581 203 HE ARG 26 HE ARG 26 5.163 2.708 -8.593 204 1HH1 ARG 26 HH21 ARG 26 3.627 -0.503 -8.604 205 2HH1 ARG 26 HH22 ARG 26 2.777 -0.236 -10.079 206 1HH2 ARG 26 HH11 ARG 26 4.090 3.065 -10.531 207 2HH2 ARG 26 HH12 ARG 26 3.028 1.860 -11.199 208 H VAL 27 H VAL 27 7.999 4.059 -5.347 209 HA VAL 27 HA VAL 27 9.656 2.719 -3.262 210 HB VAL 27 HB VAL 27 9.052 5.690 -3.580 211 1HG1 VAL 27 HG11 VAL 27 10.939 4.346 -1.629 212 2HG1 VAL 27 HG12 VAL 27 10.602 6.082 -1.771 213 3HG1 VAL 27 HG13 VAL 27 9.327 4.984 -1.230 214 1HG2 VAL 27 HG21 VAL 27 10.646 5.145 -5.311 215 2HG2 VAL 27 HG22 VAL 27 11.423 6.077 -4.040 216 3HG2 VAL 27 HG23 VAL 27 11.694 4.318 -4.134 217 H HIS 28 H HIS 28 8.188 1.826 -1.845 218 HA HIS 28 HA HIS 28 5.401 2.826 -1.721 219 1HB HIS 28 HB2 HIS 28 6.778 0.544 -0.253 220 2HB HIS 28 HB3 HIS 28 5.047 0.879 -0.290 221 HD1 HIS 28 HD1 HIS 28 4.192 0.956 -3.189 222 HD2 HIS 28 HD2 HIS 28 7.436 -1.378 -1.854 223 HE1 HIS 28 HE1 HIS 28 4.514 -0.881 -4.911 224 H SER 29 H SER 29 4.524 3.774 0.229 225 HA SER 29 HA SER 29 6.391 5.258 1.824 226 1HB SER 29 HB2 SER 29 4.352 5.905 3.122 227 2HB SER 29 HB3 SER 29 4.285 6.234 1.393 228 HG SER 29 HG SER 29 2.975 4.222 2.835 229 H ALA 30 H ALA 30 7.774 4.009 3.070 230 HA ALA 30 HA ALA 30 6.517 2.876 5.449 231 1HB ALA 30 HB1 ALA 30 7.740 0.781 5.415 232 2HB ALA 30 HB2 ALA 30 6.777 0.921 3.942 233 3HB ALA 30 HB3 ALA 30 8.527 1.206 3.889 234 HA PRO 31 HA PRO 31 10.860 5.083 6.026 235 1HB PRO 31 HB2 PRO 31 8.932 7.251 6.896 236 2HB PRO 31 HB3 PRO 31 10.680 7.395 6.496 237 1HG PRO 31 HG2 PRO 31 8.847 7.961 4.589 238 2HG PRO 31 HG3 PRO 31 10.239 6.915 4.173 239 1HD PRO 31 HD2 PRO 31 7.405 6.110 4.845 240 2HD PRO 31 HD3 PRO 31 8.497 5.515 3.560 241 H ARG 32 H ARG 32 11.772 4.773 7.950 242 HA ARG 32 HA ARG 32 12.094 3.573 9.814 243 1HB ARG 32 HB2 ARG 32 10.072 5.461 11.054 244 2HB ARG 32 HB3 ARG 32 11.418 4.640 11.849 245 1HG ARG 32 HG2 ARG 32 12.992 5.956 10.311 246 2HG ARG 32 HG3 ARG 32 11.565 6.895 9.824 247 1HD ARG 32 HD2 ARG 32 11.202 7.212 12.395 248 2HD ARG 32 HD3 ARG 32 12.891 6.722 12.550 249 HE ARG 32 HE ARG 32 13.344 8.591 10.841 250 1HH1 ARG 32 HH21 ARG 32 10.894 8.825 13.399 251 2HH1 ARG 32 HH22 ARG 32 10.744 10.543 13.303 252 1HH2 ARG 32 HH11 ARG 32 13.080 10.874 10.649 253 2HH2 ARG 32 HH12 ARG 32 11.787 11.659 11.492 254 H SER 33 H SER 33 9.875 2.405 8.165 255 HA SER 33 HA SER 33 8.229 0.922 8.233 256 1HB SER 33 HB2 SER 33 9.447 -0.011 10.857 257 2HB SER 33 HB3 SER 33 8.460 -0.959 9.733 258 HG SER 33 HG SER 33 10.708 -1.345 9.478 259 H GLY 34 H GLY 34 7.596 3.538 9.319 260 1HA GLY 34 HA2 GLY 34 5.234 2.871 11.001 261 2HA GLY 34 HA3 GLY 34 6.435 4.038 11.582 262 H ALA 35 H ALA 35 5.612 3.740 8.151 263 HA ALA 35 HA ALA 35 4.832 6.497 7.901 264 1HB ALA 35 HB1 ALA 35 4.406 4.135 6.015 265 2HB ALA 35 HB2 ALA 35 4.276 5.850 5.582 266 3HB ALA 35 HB3 ALA 35 5.845 5.186 6.068 267 HA PRO 36 HA PRO 36 0.563 6.062 9.014 268 1HB PRO 36 HB2 PRO 36 -0.646 8.160 7.752 269 2HB PRO 36 HB3 PRO 36 0.564 8.380 9.052 270 1HG PRO 36 HG2 PRO 36 1.029 8.448 6.049 271 2HG PRO 36 HG3 PRO 36 1.539 9.659 7.274 272 1HD PRO 36 HD2 PRO 36 3.228 7.717 6.393 273 2HD PRO 36 HD3 PRO 36 3.235 8.241 8.103 274 H ALA 37 H ALA 37 1.489 5.392 5.765 275 HA ALA 37 HA ALA 37 -1.065 4.119 5.103 276 1HB ALA 37 HB1 ALA 37 -1.349 6.524 4.447 277 2HB ALA 37 HB2 ALA 37 0.106 6.399 3.432 278 3HB ALA 37 HB3 ALA 37 -1.343 5.445 3.043 279 H ALA 38 H ALA 38 -0.755 3.333 2.665 280 HA ALA 38 HA ALA 38 2.013 2.392 2.155 281 1HB ALA 38 HB1 ALA 38 1.154 0.172 1.590 282 2HB ALA 38 HB2 ALA 38 0.796 0.560 3.283 283 3HB ALA 38 HB3 ALA 38 -0.492 0.661 2.058 284 H GLU 39 H GLU 39 1.307 4.574 1.048 285 HA GLU 39 HA GLU 39 0.091 4.175 -1.609 286 1HB GLU 39 HB2 GLU 39 1.369 6.600 -0.250 287 2HB GLU 39 HB3 GLU 39 0.712 6.595 -1.893 288 1HG GLU 39 HG2 GLU 39 -1.522 5.934 -0.967 289 2HG GLU 39 HG3 GLU 39 -0.871 6.110 0.663 290 H SER 40 H SER 40 1.677 5.317 -3.381 291 HA SER 40 HA SER 40 4.466 4.522 -2.946 292 1HB SER 40 HB2 SER 40 3.006 3.634 -5.450 293 2HB SER 40 HB3 SER 40 4.635 3.202 -4.919 294 HG SER 40 HG SER 40 2.157 2.418 -3.770 295 H LYS 41 H LYS 41 5.902 5.408 -4.559 296 HA LYS 41 HA LYS 41 4.846 7.459 -6.406 297 1HB LYS 41 HB2 LYS 41 6.569 9.059 -5.791 298 2HB LYS 41 HB3 LYS 41 5.608 8.704 -4.352 299 1HG LYS 41 HG2 LYS 41 7.354 7.158 -3.545 300 2HG LYS 41 HG3 LYS 41 8.314 7.427 -4.997 301 1HD LYS 41 HD2 LYS 41 7.852 9.420 -2.775 302 2HD LYS 41 HD3 LYS 41 9.309 8.541 -3.190 303 1HE LYS 41 HE2 LYS 41 9.880 10.435 -4.234 304 2HE LYS 41 HE3 LYS 41 8.964 9.717 -5.558 305 1HZ LYS 41 HZ1 LYS 41 8.286 11.949 -5.293 306 2HZ LYS 41 HZ2 LYS 41 7.031 11.069 -4.743 307 3HZ LYS 41 HZ3 LYS 41 8.024 11.790 -3.653 308 H GLU 42 H GLU 42 6.532 7.911 -8.111 309 HA GLU 42 HA GLU 42 8.551 5.729 -8.389 310 1HB GLU 42 HB2 GLU 42 6.857 7.223 -10.417 311 2HB GLU 42 HB3 GLU 42 8.509 6.788 -10.827 312 1HG GLU 42 HG2 GLU 42 7.237 5.054 -11.684 313 2HG GLU 42 HG3 GLU 42 8.013 4.398 -10.250 314 H ILE 43 H ILE 43 10.669 6.438 -8.418 315 HA ILE 43 HA ILE 43 11.144 9.376 -8.674 316 HB ILE 43 HB ILE 43 13.147 9.099 -7.319 317 1HG1 ILE 43 HG12 ILE 43 12.168 6.311 -6.634 318 2HG1 ILE 43 HG13 ILE 43 13.545 6.664 -7.676 319 1HG2 ILE 43 HG21 ILE 43 10.679 8.167 -5.816 320 2HG2 ILE 43 HG22 ILE 43 12.025 9.148 -5.182 321 3HG2 ILE 43 HG23 ILE 43 10.948 9.830 -6.403 322 1HD1 ILE 43 HD11 ILE 43 13.368 7.405 -4.722 323 2HD1 ILE 43 HD12 ILE 43 14.282 6.072 -5.425 324 3HD1 ILE 43 HD13 ILE 43 14.733 7.745 -5.810 325 H VAL 44 H VAL 44 13.050 9.989 -9.709 326 HA VAL 44 HA VAL 44 13.916 8.075 -11.843 327 HB VAL 44 HB VAL 44 13.509 11.099 -11.905 328 1HG1 VAL 44 HG11 VAL 44 15.269 10.384 -13.488 329 2HG1 VAL 44 HG12 VAL 44 14.154 9.184 -14.183 330 3HG1 VAL 44 HG13 VAL 44 13.814 10.913 -14.335 331 1HG2 VAL 44 HG21 VAL 44 11.808 8.929 -13.193 332 2HG2 VAL 44 HG22 VAL 44 11.319 9.960 -11.828 333 3HG2 VAL 44 HG23 VAL 44 11.618 10.682 -13.406 334 H ARG 45 H ARG 45 16.079 7.643 -11.797 335 HA ARG 45 HA ARG 45 17.971 9.659 -10.721 336 1HB ARG 45 HB2 ARG 45 17.854 6.701 -9.936 337 2HB ARG 45 HB3 ARG 45 19.223 7.750 -9.607 338 1HG ARG 45 HG2 ARG 45 16.424 8.053 -8.465 339 2HG ARG 45 HG3 ARG 45 17.825 7.448 -7.618 340 1HD ARG 45 HD2 ARG 45 18.468 9.472 -6.980 341 2HD ARG 45 HD3 ARG 45 18.554 10.021 -8.646 342 HE ARG 45 HE ARG 45 16.305 10.687 -8.615 343 1HH1 ARG 45 HH21 ARG 45 17.436 9.793 -5.357 344 2HH1 ARG 45 HH22 ARG 45 15.968 10.250 -4.575 345 1HH2 ARG 45 HH11 ARG 45 14.351 11.257 -7.572 346 2HH2 ARG 45 HH12 ARG 45 14.203 11.142 -5.857 347 H GLY 46 H GLY 46 20.022 9.552 -11.745 348 1HA GLY 46 HA2 GLY 46 20.965 7.356 -13.230 349 2HA GLY 46 HA3 GLY 46 20.206 8.491 -14.362 350 H TYR 47 H TYR 47 23.140 7.695 -13.567 351 HA TYR 47 HA TYR 47 24.216 10.425 -13.596 352 1HB TYR 47 HB2 TYR 47 25.104 8.433 -11.473 353 2HB TYR 47 HB3 TYR 47 25.607 10.103 -11.634 354 HD1 TYR 47 HD1 TYR 47 24.320 11.891 -10.574 355 HD2 TYR 47 HD2 TYR 47 22.899 7.830 -10.572 356 HE1 TYR 47 HE1 TYR 47 22.650 12.493 -8.864 357 HE2 TYR 47 HE2 TYR 47 21.241 8.406 -8.816 358 HH TYR 47 HH TYR 47 20.946 11.744 -7.500 359 H LYS 48 H LYS 48 26.509 10.454 -14.149 360 HA LYS 48 HA LYS 48 27.216 8.458 -16.025 361 1HB LYS 48 HB2 LYS 48 28.071 10.868 -15.825 362 2HB LYS 48 HB3 LYS 48 29.124 10.313 -14.527 363 1HG LYS 48 HG2 LYS 48 30.376 10.442 -16.575 364 2HG LYS 48 HG3 LYS 48 30.231 8.734 -16.150 365 1HD LYS 48 HD2 LYS 48 28.472 8.418 -17.842 366 2HD LYS 48 HD3 LYS 48 28.382 10.164 -18.103 367 1HE LYS 48 HE2 LYS 48 30.953 9.909 -18.707 368 2HE LYS 48 HE3 LYS 48 30.533 8.202 -18.936 369 1HZ LYS 48 HZ1 LYS 48 28.734 9.059 -20.456 370 2HZ LYS 48 HZ2 LYS 48 29.365 10.555 -20.297 371 3HZ LYS 48 HZ3 LYS 48 30.267 9.368 -21.006 372 H TRP 49 H TRP 49 27.970 8.701 -12.529 373 HA TRP 49 HA TRP 49 29.967 6.680 -12.566 374 1HB TRP 49 HB2 TRP 49 29.563 6.547 -10.103 375 2HB TRP 49 HB3 TRP 49 30.017 8.103 -10.751 376 HD1 TRP 49 HD1 TRP 49 28.704 10.091 -9.950 377 HE1 TRP 49 HE1 TRP 49 26.588 10.507 -8.594 378 HE3 TRP 49 HE3 TRP 49 26.900 5.291 -9.761 379 HZ2 TRP 49 HZ2 TRP 49 24.374 8.948 -7.535 380 HZ3 TRP 49 HZ3 TRP 49 24.736 4.821 -8.703 381 HH2 TRP 49 HH2 TRP 49 23.447 6.637 -7.582 382 H ALA 50 H ALA 50 26.421 6.352 -12.639 383 HA ALA 50 HA ALA 50 26.628 3.479 -12.063 384 1HB ALA 50 HB1 ALA 50 24.257 3.421 -12.585 385 2HB ALA 50 HB2 ALA 50 24.647 4.559 -11.290 386 3HB ALA 50 HB3 ALA 50 24.266 5.174 -12.929 387 H GLU 51 H GLU 51 28.287 3.169 -13.664 388 HA GLU 51 HA GLU 51 27.894 3.478 -16.457 389 1HB GLU 51 HB2 GLU 51 29.508 1.405 -14.900 390 2HB GLU 51 HB3 GLU 51 29.633 1.681 -16.643 391 1HG GLU 51 HG2 GLU 51 30.291 4.050 -16.193 392 2HG GLU 51 HG3 GLU 51 30.268 3.703 -14.460 393 H TYR 52 H TYR 52 26.213 1.433 -14.277 394 HA TYR 52 HA TYR 52 24.863 0.060 -16.471 395 1HB TYR 52 HB2 TYR 52 24.840 -2.009 -14.846 396 2HB TYR 52 HB3 TYR 52 26.098 -1.778 -16.043 397 HD1 TYR 52 HD1 TYR 52 28.313 -0.814 -15.375 398 HD2 TYR 52 HD2 TYR 52 25.415 -2.147 -12.495 399 HE1 TYR 52 HE1 TYR 52 30.115 -0.995 -13.665 400 HE2 TYR 52 HE2 TYR 52 27.187 -2.332 -10.769 401 HH TYR 52 HH TYR 52 30.629 -1.540 -11.456 402 H HIS 53 H HIS 53 22.685 -0.254 -15.968 403 HA HIS 53 HA HIS 53 21.430 1.527 -14.189 404 1HB HIS 53 HB2 HIS 53 19.379 0.083 -14.727 405 2HB HIS 53 HB3 HIS 53 20.225 0.822 -16.078 406 HD1 HIS 53 HD1 HIS 53 20.157 -2.717 -14.382 407 HD2 HIS 53 HD2 HIS 53 20.973 -0.736 -18.009 408 HE1 HIS 53 HE1 HIS 53 20.839 -4.510 -16.049 409 H ALA 54 H ALA 54 22.482 -1.827 -13.618 410 HA ALA 54 HA ALA 54 20.873 -2.270 -11.300 411 1HB ALA 54 HB1 ALA 54 22.462 -4.076 -10.796 412 2HB ALA 54 HB2 ALA 54 22.000 -4.101 -12.507 413 3HB ALA 54 HB3 ALA 54 23.589 -3.460 -12.018 414 H ASP 55 H ASP 55 23.839 -0.374 -11.774 415 HA ASP 55 HA ASP 55 24.710 -0.432 -9.047 416 1HB ASP 55 HB2 ASP 55 26.031 0.392 -11.122 417 2HB ASP 55 HB3 ASP 55 25.120 1.873 -10.983 418 H ILE 56 H ILE 56 22.634 1.854 -10.892 419 HA ILE 56 HA ILE 56 22.159 3.524 -8.590 420 HB ILE 56 HB ILE 56 20.035 4.126 -10.165 421 1HG1 ILE 56 HG12 ILE 56 22.066 3.015 -12.114 422 2HG1 ILE 56 HG13 ILE 56 20.320 2.739 -11.994 423 1HG2 ILE 56 HG21 ILE 56 22.793 5.309 -10.406 424 2HG2 ILE 56 HG22 ILE 56 21.241 6.100 -10.774 425 3HG2 ILE 56 HG23 ILE 56 21.604 5.625 -9.125 426 1HD1 ILE 56 HD11 ILE 56 21.779 5.222 -12.960 427 2HD1 ILE 56 HD12 ILE 56 20.803 4.092 -13.908 428 3HD1 ILE 56 HD13 ILE 56 20.012 5.137 -12.703 429 H TYR 57 H TYR 57 20.305 0.734 -10.052 430 HA TYR 57 HA TYR 57 18.097 1.143 -8.293 431 1HB TYR 57 HB2 TYR 57 17.852 -0.453 -10.091 432 2HB TYR 57 HB3 TYR 57 19.171 -1.443 -9.465 433 HD1 TYR 57 HD1 TYR 57 16.041 0.127 -7.977 434 HD2 TYR 57 HD2 TYR 57 18.451 -3.425 -8.437 435 HE1 TYR 57 HE1 TYR 57 14.526 -1.086 -6.456 436 HE2 TYR 57 HE2 TYR 57 16.919 -4.659 -6.936 437 HH TYR 57 HH TYR 57 14.087 -3.121 -5.347 438 H ASP 58 H ASP 58 21.134 -0.809 -7.799 439 HA ASP 58 HA ASP 58 20.431 -1.715 -5.214 440 1HB ASP 58 HB2 ASP 58 22.237 -2.718 -6.499 441 2HB ASP 58 HB3 ASP 58 23.162 -1.212 -6.448 442 H LYS 59 H LYS 59 22.374 1.169 -6.187 443 HA LYS 59 HA LYS 59 22.947 2.082 -3.558 444 1HB LYS 59 HB2 LYS 59 24.162 2.823 -5.471 445 2HB LYS 59 HB3 LYS 59 22.727 3.513 -6.232 446 1HG LYS 59 HG2 LYS 59 22.735 5.407 -4.948 447 2HG LYS 59 HG3 LYS 59 23.420 4.598 -3.518 448 1HD LYS 59 HD2 LYS 59 25.618 4.539 -4.465 449 2HD LYS 59 HD3 LYS 59 25.031 5.092 -6.039 450 1HE LYS 59 HE2 LYS 59 24.296 7.248 -4.960 451 2HE LYS 59 HE3 LYS 59 25.021 6.698 -3.444 452 1HZ LYS 59 HZ1 LYS 59 27.169 6.636 -4.585 453 2HZ LYS 59 HZ2 LYS 59 26.484 7.146 -5.985 454 3HZ LYS 59 HZ3 LYS 59 26.523 8.127 -4.680 455 H VAL 60 H VAL 60 20.250 2.980 -5.785 456 HA VAL 60 HA VAL 60 19.252 4.935 -3.937 457 HB VAL 60 HB VAL 60 18.009 3.764 -6.437 458 1HG1 VAL 60 HG11 VAL 60 16.571 5.772 -6.375 459 2HG1 VAL 60 HG12 VAL 60 16.337 4.827 -4.891 460 3HG1 VAL 60 HG13 VAL 60 17.321 6.282 -4.836 461 1HG2 VAL 60 HG21 VAL 60 18.937 5.605 -7.602 462 2HG2 VAL 60 HG22 VAL 60 19.395 6.462 -6.097 463 3HG2 VAL 60 HG23 VAL 60 20.281 5.041 -6.641 464 H SER 61 H SER 61 18.161 1.544 -4.774 465 HA SER 61 HA SER 61 15.964 1.678 -2.939 466 1HB SER 61 HB2 SER 61 15.948 -0.770 -3.033 467 2HB SER 61 HB3 SER 61 16.024 -0.040 -4.642 468 HG SER 61 HG SER 61 18.143 -0.558 -4.803 469 H GLY 62 H GLY 62 19.447 1.018 -2.486 470 1HA GLY 62 HA2 GLY 62 19.406 0.159 0.201 471 2HA GLY 62 HA3 GLY 62 20.703 1.069 -0.598 472 H ASP 63 H ASP 63 19.693 3.566 -1.109 473 HA ASP 63 HA ASP 63 19.573 4.709 1.500 474 1HB ASP 63 HB2 ASP 63 20.501 5.942 -0.400 475 2HB ASP 63 HB3 ASP 63 18.896 6.032 -1.129 476 H MET 64 H MET 64 16.934 4.207 -0.972 477 HA MET 64 HA MET 64 14.882 5.339 0.622 478 1HB MET 64 HB2 MET 64 14.754 2.906 -1.203 479 2HB MET 64 HB3 MET 64 13.371 3.817 -0.612 480 1HG MET 64 HG2 MET 64 15.458 4.978 -2.464 481 2HG MET 64 HG3 MET 64 13.869 4.387 -2.912 482 1HE MET 64 HE1 MET 64 15.721 7.015 -0.580 483 2HE MET 64 HE2 MET 64 15.892 7.373 -2.320 484 3HE MET 64 HE3 MET 64 14.968 8.467 -1.268 485 H GLN 65 H GLN 65 16.191 1.949 0.782 486 HA GLN 65 HA GLN 65 14.411 1.187 2.882 487 1HB GLN 65 HB2 GLN 65 17.024 0.146 1.756 488 2HB GLN 65 HB3 GLN 65 16.319 -0.608 3.189 489 1HG GLN 65 HG2 GLN 65 14.320 -1.231 2.013 490 2HG GLN 65 HG3 GLN 65 14.781 -0.296 0.583 491 1HE2 GLN 65 HE21 GLN 65 16.910 -0.958 -0.442 492 2HE2 GLN 65 HE22 GLN 65 17.267 -2.680 -0.538 493 H LYS 66 H LYS 66 17.585 2.851 2.922 494 HA LYS 66 HA LYS 66 18.075 2.632 5.732 495 1HB LYS 66 HB2 LYS 66 19.698 3.378 3.974 496 2HB LYS 66 HB3 LYS 66 18.739 4.834 3.753 497 1HG LYS 66 HG2 LYS 66 19.228 5.221 6.320 498 2HG LYS 66 HG3 LYS 66 20.592 4.141 5.992 499 1HD LYS 66 HD2 LYS 66 19.860 6.715 4.526 500 2HD LYS 66 HD3 LYS 66 21.200 6.521 5.668 501 1HE LYS 66 HE2 LYS 66 22.339 4.983 4.111 502 2HE LYS 66 HE3 LYS 66 20.967 5.061 2.985 503 1HZ LYS 66 HZ1 LYS 66 21.386 7.312 2.553 504 2HZ LYS 66 HZ2 LYS 66 22.555 7.437 3.719 505 3HZ LYS 66 HZ3 LYS 66 22.816 6.537 2.382 506 H GLN 67 H GLN 67 16.180 5.005 3.738 507 HA GLN 67 HA GLN 67 15.216 6.493 6.010 508 1HB GLN 67 HB2 GLN 67 13.921 6.174 3.268 509 2HB GLN 67 HB3 GLN 67 13.541 7.386 4.495 510 1HG GLN 67 HG2 GLN 67 15.985 8.153 4.347 511 2HG GLN 67 HG3 GLN 67 16.154 7.070 2.968 512 1HE2 GLN 67 HE22 GLN 67 16.481 8.495 1.253 513 2HE2 GLN 67 HE21 GLN 67 15.345 9.776 0.872 514 H GLY 68 H GLY 68 14.047 3.609 4.335 515 1HA GLY 68 HA2 GLY 68 13.333 1.946 6.158 516 2HA GLY 68 HA3 GLY 68 12.024 3.083 6.470 517 H CYS 69 H CYS 69 12.489 3.325 3.213 518 HA CYS 69 HA CYS 69 9.882 2.302 2.672 519 1HB CYS 69 HB2 CYS 69 12.136 3.267 0.900 520 2HB CYS 69 HB3 CYS 69 10.472 3.042 0.353 521 HG CYS 69 HG CYS 69 10.941 5.592 0.677 522 H ASP 70 H ASP 70 9.513 0.948 0.634 523 HA ASP 70 HA ASP 70 11.491 -1.236 0.239 524 1HB ASP 70 HB2 ASP 70 9.648 -2.208 1.539 525 2HB ASP 70 HB3 ASP 70 8.463 -1.523 0.419 526 H CYS 71 H CYS 71 11.815 -1.608 -2.005 527 HA CYS 71 HA CYS 71 10.314 0.154 -3.855 528 1HB CYS 71 HB2 CYS 71 13.356 0.126 -3.568 529 2HB CYS 71 HB3 CYS 71 12.397 1.128 -4.669 530 HG CYS 71 HG CYS 71 12.377 1.107 -1.374 531 H GLU 72 H GLU 72 10.954 -0.160 -6.162 532 HA GLU 72 HA GLU 72 12.377 -2.621 -6.875 533 1HB GLU 72 HB2 GLU 72 10.150 -3.487 -6.413 534 2HB GLU 72 HB3 GLU 72 9.386 -2.183 -7.334 535 1HG GLU 72 HG2 GLU 72 10.293 -3.006 -9.406 536 2HG GLU 72 HG3 GLU 72 11.320 -4.175 -8.567 537 H CYS 73 H CYS 73 13.448 -2.187 -8.809 538 HA CYS 73 HA CYS 73 13.024 0.298 -10.264 539 1HB CYS 73 HB2 CYS 73 14.598 -0.870 -11.916 540 2HB CYS 73 HB3 CYS 73 15.261 -0.492 -10.331 541 HG CYS 73 HG CYS 73 13.876 -3.333 -11.279 542 H LEU 74 H LEU 74 11.173 0.540 -11.416 543 HA LEU 74 HA LEU 74 9.522 -1.680 -12.300 544 1HB LEU 74 HB2 LEU 74 9.543 1.266 -13.100 545 2HB LEU 74 HB3 LEU 74 8.306 0.098 -13.550 546 HG LEU 74 HG LEU 74 8.921 1.078 -10.732 547 1HD1 LEU 74 HD11 LEU 74 6.694 2.086 -10.881 548 2HD1 LEU 74 HD12 LEU 74 7.720 2.667 -12.204 549 3HD1 LEU 74 HD13 LEU 74 6.476 1.440 -12.520 550 1HD2 LEU 74 HD21 LEU 74 8.219 -1.242 -10.520 551 2HD2 LEU 74 HD22 LEU 74 6.858 -0.214 -10.076 552 3HD2 LEU 74 HD23 LEU 74 6.882 -0.993 -11.670 553 H GLY 75 H GLY 75 12.165 0.215 -13.632 554 1HA GLY 75 HA2 GLY 75 13.082 -1.648 -15.439 555 2HA GLY 75 HA3 GLY 75 12.009 -0.581 -16.368 556 H GLY 76 H GLY 76 14.232 -0.043 -17.372 557 1HA GLY 76 HA2 GLY 76 14.795 2.620 -16.498 558 2HA GLY 76 HA3 GLY 76 16.184 1.568 -16.184 559 H GLY 77 H GLY 77 17.267 2.921 -17.816 560 1HA GLY 77 HA2 GLY 77 17.283 1.927 -20.474 561 2HA GLY 77 HA3 GLY 77 16.279 3.387 -20.397 562 H ARG 78 H ARG 78 17.868 4.450 -21.726 563 HA ARG 78 HA ARG 78 20.314 5.298 -20.270 564 1HB ARG 78 HB2 ARG 78 20.794 3.526 -21.924 565 2HB ARG 78 HB3 ARG 78 20.127 4.543 -23.216 566 1HG ARG 78 HG2 ARG 78 21.951 6.131 -22.975 567 2HG ARG 78 HG3 ARG 78 22.452 5.387 -21.451 568 1HD ARG 78 HD2 ARG 78 24.008 4.743 -23.146 569 2HD ARG 78 HD3 ARG 78 23.128 3.326 -22.599 570 HE ARG 78 HE ARG 78 22.949 4.704 -25.216 571 1HH1 ARG 78 HH11 ARG 78 21.544 2.092 -23.230 572 2HH1 ARG 78 HH12 ARG 78 20.796 1.347 -24.617 573 1HH2 ARG 78 HH21 ARG 78 22.395 3.318 -27.014 574 2HH2 ARG 78 HH22 ARG 78 21.470 1.869 -26.716 575 H ILE 79 H ILE 79 21.029 7.423 -20.881 576 HA ILE 79 HA ILE 79 18.945 9.116 -22.108 577 HB ILE 79 HB ILE 79 20.394 9.577 -19.461 578 1HG1 ILE 79 HG12 ILE 79 17.461 9.199 -20.187 579 2HG1 ILE 79 HG13 ILE 79 18.451 8.115 -19.222 580 1HG2 ILE 79 HG21 ILE 79 18.516 11.446 -21.013 581 2HG2 ILE 79 HG22 ILE 79 19.207 11.780 -19.416 582 3HG2 ILE 79 HG23 ILE 79 20.268 11.687 -20.800 583 1HD1 ILE 79 HD11 ILE 79 16.977 9.310 -17.746 584 2HD1 ILE 79 HD12 ILE 79 18.623 9.917 -17.463 585 3HD1 ILE 79 HD13 ILE 79 17.447 10.872 -18.401 586 H SER 80 H SER 80 19.821 10.710 -23.403 587 HA SER 80 HA SER 80 22.651 11.308 -23.262 588 1HB SER 80 HB2 SER 80 21.518 10.209 -25.874 589 2HB SER 80 HB3 SER 80 23.185 10.715 -25.563 590 HG SER 80 HG SER 80 22.669 8.945 -23.727 591 H HIS 81 H HIS 81 23.158 13.154 -24.794 592 HA HIS 81 HA HIS 81 21.066 15.134 -24.905 593 1HB HIS 81 HB2 HIS 81 22.603 16.426 -26.218 594 2HB HIS 81 HB3 HIS 81 23.436 15.730 -24.838 595 HD1 HIS 81 HD1 HIS 81 23.217 15.378 -28.673 596 HD2 HIS 81 HD2 HIS 81 25.514 14.108 -25.375 597 HE1 HIS 81 HE1 HIS 81 25.315 14.285 -29.632 598 H GLN 82 H GLN 82 19.898 15.908 -26.777 599 HA GLN 82 HA GLN 82 19.035 13.941 -28.710 600 1HB GLN 82 HB2 GLN 82 18.836 16.986 -28.592 601 2HB GLN 82 HB3 GLN 82 18.183 16.022 -29.916 602 1HG GLN 82 HG2 GLN 82 16.719 14.803 -28.339 603 2HG GLN 82 HG3 GLN 82 17.274 15.834 -27.022 604 1HE2 GLN 82 HE22 GLN 82 14.530 15.786 -27.591 605 2HE2 GLN 82 HE21 GLN 82 14.069 17.268 -28.385 606 H SER 83 H SER 83 19.518 13.948 -31.007 607 HA SER 83 HA SER 83 22.231 14.282 -31.722 608 1HB SER 83 HB2 SER 83 19.827 13.968 -33.562 609 2HB SER 83 HB3 SER 83 21.492 13.433 -33.856 610 HG SER 83 HG SER 83 20.134 11.715 -33.192 611 H GLN 84 H GLN 84 20.755 16.881 -30.948 612 HA GLN 84 HA GLN 84 21.624 18.582 -33.170 613 1HB GLN 84 HB2 GLN 84 19.416 19.703 -33.345 614 2HB GLN 84 HB3 GLN 84 19.386 18.035 -33.911 615 1HG GLN 84 HG2 GLN 84 18.278 17.288 -31.867 616 2HG GLN 84 HG3 GLN 84 18.450 18.883 -31.134 617 1HE2 GLN 84 HE22 GLN 84 16.069 18.526 -30.806 618 2HE2 GLN 84 HE21 GLN 84 14.994 19.045 -32.095 619 H ASP 85 H ASP 85 20.932 18.137 -29.734 620 HA ASP 85 HA ASP 85 21.862 20.805 -29.084 621 1HB ASP 85 HB2 ASP 85 19.433 21.181 -29.712 622 2HB ASP 85 HB3 ASP 85 18.972 20.031 -28.459 623 H LYS 86 H LYS 86 22.180 20.979 -26.738 624 HA LYS 86 HA LYS 86 23.006 18.547 -25.505 625 1HB LYS 86 HB2 LYS 86 22.497 21.283 -24.263 626 2HB LYS 86 HB3 LYS 86 23.391 19.968 -23.508 627 1HG LYS 86 HG2 LYS 86 24.223 21.473 -26.027 628 2HG LYS 86 HG3 LYS 86 24.895 21.664 -24.408 629 1HD LYS 86 HD2 LYS 86 25.663 19.277 -24.466 630 2HD LYS 86 HD3 LYS 86 25.083 19.161 -26.145 631 1HE LYS 86 HE2 LYS 86 26.583 21.025 -26.796 632 2HE LYS 86 HE3 LYS 86 27.160 21.152 -25.130 633 1HZ LYS 86 HZ1 LYS 86 28.675 19.868 -26.492 634 2HZ LYS 86 HZ2 LYS 86 28.053 18.906 -25.336 635 3HZ LYS 86 HZ3 LYS 86 27.522 18.787 -26.879 636 H LYS 87 H LYS 87 19.850 20.069 -25.532 637 HA LYS 87 HA LYS 87 18.583 19.211 -23.230 638 1HB LYS 87 HB2 LYS 87 17.592 20.450 -25.143 639 2HB LYS 87 HB3 LYS 87 17.592 18.965 -26.109 640 1HG LYS 87 HG2 LYS 87 16.058 17.934 -24.377 641 2HG LYS 87 HG3 LYS 87 16.019 19.505 -23.559 642 1HD LYS 87 HD2 LYS 87 15.077 18.934 -26.401 643 2HD LYS 87 HD3 LYS 87 14.035 19.141 -24.986 644 1HE LYS 87 HE2 LYS 87 14.866 21.475 -24.716 645 2HE LYS 87 HE3 LYS 87 15.899 21.271 -26.136 646 1HZ LYS 87 HZ1 LYS 87 12.931 21.173 -26.139 647 2HZ LYS 87 HZ2 LYS 87 13.861 22.386 -26.716 648 3HZ LYS 87 HZ3 LYS 87 13.884 20.938 -27.462 649 H ILE 88 H ILE 88 18.388 17.208 -22.227 650 HA ILE 88 HA ILE 88 19.362 14.917 -23.745 651 HB ILE 88 HB ILE 88 19.380 13.658 -21.762 652 1HG1 ILE 88 HG12 ILE 88 17.454 14.587 -20.529 653 2HG1 ILE 88 HG13 ILE 88 18.898 14.313 -19.582 654 1HG2 ILE 88 HG21 ILE 88 21.327 14.949 -22.360 655 2HG2 ILE 88 HG22 ILE 88 20.757 16.337 -21.421 656 3HG2 ILE 88 HG23 ILE 88 21.184 14.816 -20.603 657 1HD1 ILE 88 HD11 ILE 88 17.816 16.370 -18.879 658 2HD1 ILE 88 HD12 ILE 88 19.410 16.729 -19.549 659 3HD1 ILE 88 HD13 ILE 88 17.945 17.051 -20.505 660 H HIS 89 H HIS 89 18.355 12.843 -23.670 661 HA HIS 89 HA HIS 89 15.417 12.874 -24.051 662 1HB HIS 89 HB2 HIS 89 16.660 13.399 -26.156 663 2HB HIS 89 HB3 HIS 89 17.624 11.938 -25.951 664 HD1 HIS 89 HD1 HIS 89 14.148 13.083 -27.014 665 HD2 HIS 89 HD2 HIS 89 16.482 9.601 -26.664 666 HE1 HIS 89 HE1 HIS 89 12.939 11.263 -28.347 667 H VAL 90 H VAL 90 14.511 10.845 -23.525 668 HA VAL 90 HA VAL 90 16.334 8.952 -22.117 669 HB VAL 90 HB VAL 90 13.358 9.449 -21.682 670 1HG1 VAL 90 HG11 VAL 90 14.298 7.299 -20.831 671 2HG1 VAL 90 HG12 VAL 90 15.443 8.204 -19.833 672 3HG1 VAL 90 HG13 VAL 90 13.701 8.351 -19.538 673 1HG2 VAL 90 HG21 VAL 90 15.686 10.780 -20.233 674 2HG2 VAL 90 HG22 VAL 90 14.400 11.577 -21.164 675 3HG2 VAL 90 HG23 VAL 90 14.007 10.765 -19.651 676 H TYR 91 H TYR 91 16.381 6.797 -22.835 677 HA TYR 91 HA TYR 91 14.246 5.765 -24.560 678 1HB TYR 91 HB2 TYR 91 15.632 5.637 -26.538 679 2HB TYR 91 HB3 TYR 91 15.550 7.295 -26.036 680 HD1 TYR 91 HD1 TYR 91 17.560 8.397 -24.927 681 HD2 TYR 91 HD2 TYR 91 17.717 4.389 -26.499 682 HE1 TYR 91 HE1 TYR 91 20.018 8.497 -24.926 683 HE2 TYR 91 HE2 TYR 91 20.164 4.489 -26.541 684 HH TYR 91 HH TYR 91 21.997 7.411 -25.446 685 H GLY 92 H GLY 92 15.391 3.632 -25.705 686 1HA GLY 92 HA2 GLY 92 16.523 1.669 -25.478 687 2HA GLY 92 HA3 GLY 92 17.510 2.429 -24.226 688 H TYR 93 H TYR 93 17.461 0.304 -23.187 689 HA TYR 93 HA TYR 93 15.240 0.041 -21.311 690 1HB TYR 93 HB2 TYR 93 14.797 -2.262 -21.793 691 2HB TYR 93 HB3 TYR 93 14.532 -1.351 -23.266 692 HD1 TYR 93 HD1 TYR 93 16.480 -1.370 -25.039 693 HD2 TYR 93 HD2 TYR 93 16.134 -4.194 -21.793 694 HE1 TYR 93 HE1 TYR 93 17.988 -2.931 -26.234 695 HE2 TYR 93 HE2 TYR 93 17.614 -5.765 -22.992 696 HH TYR 93 HH TYR 93 18.902 -6.137 -24.902 697 H SER 94 H SER 94 15.874 -1.173 -19.419 698 HA SER 94 HA SER 94 18.764 -1.514 -19.021 699 1HB SER 94 HB2 SER 94 16.300 -2.058 -17.315 700 2HB SER 94 HB3 SER 94 17.962 -2.392 -16.786 701 HG SER 94 HG SER 94 17.380 -0.336 -16.106 702 H MET 95 H MET 95 19.829 -3.470 -19.278 703 HA MET 95 HA MET 95 18.596 -5.535 -20.781 704 1HB MET 95 HB2 MET 95 21.030 -4.968 -20.756 705 2HB MET 95 HB3 MET 95 21.153 -5.613 -19.116 706 1HG MET 95 HG2 MET 95 21.968 -7.229 -20.725 707 2HG MET 95 HG3 MET 95 20.522 -7.853 -19.941 708 1HE MET 95 HE1 MET 95 20.346 -9.481 -23.492 709 2HE MET 95 HE2 MET 95 21.798 -9.161 -22.517 710 3HE MET 95 HE3 MET 95 20.315 -9.759 -21.737 711 H ALA 96 H ALA 96 19.087 -5.147 -17.283 712 HA ALA 96 HA ALA 96 18.193 -7.891 -16.723 713 1HB ALA 96 HB1 ALA 96 20.116 -6.894 -15.512 714 2HB ALA 96 HB2 ALA 96 19.030 -5.652 -14.829 715 3HB ALA 96 HB3 ALA 96 18.802 -7.360 -14.419 716 H TYR 97 H TYR 97 16.650 -4.769 -16.947 717 HA TYR 97 HA TYR 97 14.410 -5.704 -15.197 718 1HB TYR 97 HB2 TYR 97 15.309 -2.832 -15.454 719 2HB TYR 97 HB3 TYR 97 14.183 -3.515 -14.298 720 HD1 TYR 97 HD1 TYR 97 17.025 -1.874 -14.160 721 HD2 TYR 97 HD2 TYR 97 15.641 -5.844 -13.180 722 HE1 TYR 97 HE1 TYR 97 18.796 -2.068 -12.442 723 HE2 TYR 97 HE2 TYR 97 17.444 -6.070 -11.515 724 HH TYR 97 HH TYR 97 19.264 -5.056 -10.493 725 H GLY 98 H GLY 98 15.183 -4.754 -18.380 726 1HA GLY 98 HA2 GLY 98 13.794 -4.525 -20.183 727 2HA GLY 98 HA3 GLY 98 12.373 -4.575 -19.133 728 HA PRO 99 HA PRO 99 13.225 -0.148 -20.484 729 1HB PRO 99 HB2 PRO 99 10.967 0.294 -21.975 730 2HB PRO 99 HB3 PRO 99 12.469 -0.391 -22.657 731 1HG PRO 99 HG2 PRO 99 9.984 -1.865 -21.752 732 2HG PRO 99 HG3 PRO 99 10.944 -2.115 -23.243 733 1HD PRO 99 HD2 PRO 99 11.230 -3.671 -20.999 734 2HD PRO 99 HD3 PRO 99 12.604 -3.304 -22.085 735 H ALA 100 H ALA 100 12.525 1.424 -19.146 736 HA ALA 100 HA ALA 100 10.346 1.000 -17.225 737 1HB ALA 100 HB1 ALA 100 10.941 3.429 -16.703 738 2HB ALA 100 HB2 ALA 100 12.308 2.332 -16.563 739 3HB ALA 100 HB3 ALA 100 12.130 3.330 -18.018 740 H GLN 101 H GLN 101 8.676 2.799 -17.059 741 HA GLN 101 HA GLN 101 7.463 3.468 -19.675 742 1HB GLN 101 HB2 GLN 101 6.653 4.096 -16.797 743 2HB GLN 101 HB3 GLN 101 5.784 4.658 -18.232 744 1HG GLN 101 HG2 GLN 101 6.136 1.786 -17.327 745 2HG GLN 101 HG3 GLN 101 4.668 2.782 -17.252 746 1HE2 GLN 101 HE22 GLN 101 3.747 3.553 -19.407 747 2HE2 GLN 101 HE21 GLN 101 3.922 2.498 -20.785 748 H HIS 102 H HIS 102 9.401 4.641 -20.388 749 HA HIS 102 HA HIS 102 10.587 6.740 -18.992 750 1HB HIS 102 HB2 HIS 102 10.255 6.475 -21.992 751 2HB HIS 102 HB3 HIS 102 11.460 7.469 -21.174 752 HD1 HIS 102 HD1 HIS 102 11.070 3.989 -22.501 753 HD2 HIS 102 HD2 HIS 102 13.043 5.898 -19.324 754 HE1 HIS 102 HE1 HIS 102 12.785 2.333 -21.587 755 H ALA 103 H ALA 103 7.449 6.762 -20.472 756 HA ALA 103 HA ALA 103 6.933 9.521 -20.763 757 1HB ALA 103 HB1 ALA 103 4.576 8.820 -20.324 758 2HB ALA 103 HB2 ALA 103 5.386 7.738 -21.471 759 3HB ALA 103 HB3 ALA 103 5.153 7.226 -19.779 760 H ILE 104 H ILE 104 7.070 7.463 -17.811 761 HA ILE 104 HA ILE 104 5.999 9.430 -15.985 762 HB ILE 104 HB ILE 104 7.961 7.154 -15.459 763 1HG1 ILE 104 HG12 ILE 104 5.824 6.330 -16.497 764 2HG1 ILE 104 HG13 ILE 104 6.214 5.678 -14.919 765 1HG2 ILE 104 HG21 ILE 104 6.200 8.760 -13.564 766 2HG2 ILE 104 HG22 ILE 104 7.037 7.257 -13.122 767 3HG2 ILE 104 HG23 ILE 104 7.969 8.683 -13.597 768 1HD1 ILE 104 HD11 ILE 104 4.198 7.904 -15.378 769 2HD1 ILE 104 HD12 ILE 104 3.820 6.171 -15.213 770 3HD1 ILE 104 HD13 ILE 104 4.535 7.042 -13.848 771 H SER 105 H SER 105 9.321 8.396 -16.981 772 HA SER 105 HA SER 105 10.784 10.107 -15.406 773 1HB SER 105 HB2 SER 105 11.492 9.282 -18.246 774 2HB SER 105 HB3 SER 105 12.589 9.665 -16.925 775 HG SER 105 HG SER 105 12.251 7.395 -17.225 776 H THR 106 H THR 106 9.711 10.740 -18.828 777 HA THR 106 HA THR 106 10.862 13.324 -18.883 778 HB THR 106 HB THR 106 9.233 13.694 -20.811 779 HG1 THR 106 HG1 THR 106 8.025 11.977 -21.457 780 1HG2 THR 106 HG21 THR 106 10.967 11.179 -20.867 781 2HG2 THR 106 HG22 THR 106 10.419 12.125 -22.270 782 3HG2 THR 106 HG23 THR 106 11.547 12.841 -21.111 783 H GLU 107 H GLU 107 7.482 12.348 -17.971 784 HA GLU 107 HA GLU 107 6.598 15.009 -17.563 785 1HB GLU 107 HB2 GLU 107 5.716 12.346 -16.385 786 2HB GLU 107 HB3 GLU 107 4.972 13.877 -15.911 787 1HG GLU 107 HG2 GLU 107 4.431 14.375 -18.279 788 2HG GLU 107 HG3 GLU 107 5.116 12.829 -18.769 789 H LYS 108 H LYS 108 8.130 12.714 -15.218 790 HA LYS 108 HA LYS 108 7.992 14.556 -13.023 791 1HB LYS 108 HB2 LYS 108 9.811 12.167 -13.584 792 2HB LYS 108 HB3 LYS 108 9.849 13.080 -12.083 793 1HG LYS 108 HG2 LYS 108 7.520 11.414 -13.077 794 2HG LYS 108 HG3 LYS 108 8.608 11.086 -11.729 795 1HD LYS 108 HD2 LYS 108 7.716 13.461 -10.862 796 2HD LYS 108 HD3 LYS 108 6.391 13.122 -11.971 797 1HE LYS 108 HE2 LYS 108 5.682 12.361 -9.856 798 2HE LYS 108 HE3 LYS 108 6.063 10.897 -10.769 799 1HZ LYS 108 HZ1 LYS 108 8.081 10.659 -9.489 800 2HZ LYS 108 HZ2 LYS 108 7.972 12.183 -8.872 801 3HZ LYS 108 HZ3 LYS 108 6.928 11.030 -8.416 802 H ILE 109 H ILE 109 10.656 13.899 -15.371 803 HA ILE 109 HA ILE 109 12.478 15.734 -14.170 804 HB ILE 109 HB ILE 109 12.246 14.671 -17.003 805 1HG1 ILE 109 HG12 ILE 109 14.360 13.965 -14.910 806 2HG1 ILE 109 HG13 ILE 109 12.847 13.079 -15.024 807 1HG2 ILE 109 HG21 ILE 109 14.610 16.174 -15.779 808 2HG2 ILE 109 HG22 ILE 109 14.560 15.467 -17.386 809 3HG2 ILE 109 HG23 ILE 109 13.524 16.835 -17.024 810 1HD1 ILE 109 HD11 ILE 109 13.364 12.505 -17.407 811 2HD1 ILE 109 HD12 ILE 109 14.942 13.306 -17.234 812 3HD1 ILE 109 HD13 ILE 109 14.566 11.886 -16.262 813 H LYS 110 H LYS 110 10.041 16.240 -16.868 814 HA LYS 110 HA LYS 110 10.760 18.984 -17.179 815 1HB LYS 110 HB2 LYS 110 8.168 17.499 -17.784 816 2HB LYS 110 HB3 LYS 110 8.418 19.211 -18.150 817 1HG LYS 110 HG2 LYS 110 10.383 18.657 -19.556 818 2HG LYS 110 HG3 LYS 110 10.167 16.948 -19.204 819 1HD LYS 110 HD2 LYS 110 9.263 17.348 -21.372 820 2HD LYS 110 HD3 LYS 110 7.908 17.029 -20.282 821 1HE LYS 110 HE2 LYS 110 7.468 19.471 -20.105 822 2HE LYS 110 HE3 LYS 110 8.868 19.812 -21.131 823 1HZ LYS 110 HZ1 LYS 110 7.735 18.654 -22.942 824 2HZ LYS 110 HZ2 LYS 110 6.442 18.337 -21.989 825 3HZ LYS 110 HZ3 LYS 110 6.811 19.872 -22.386 826 H ALA 111 H ALA 111 8.386 17.425 -14.957 827 HA ALA 111 HA ALA 111 7.296 19.839 -13.949 828 1HB ALA 111 HB1 ALA 111 7.621 17.140 -12.559 829 2HB ALA 111 HB2 ALA 111 6.542 18.456 -12.054 830 3HB ALA 111 HB3 ALA 111 6.262 17.630 -13.598 831 H LYS 112 H LYS 112 10.179 17.952 -12.846 832 HA LYS 112 HA LYS 112 10.642 19.887 -10.686 833 1HB LYS 112 HB2 LYS 112 12.191 17.417 -11.497 834 2HB LYS 112 HB3 LYS 112 12.540 18.424 -10.088 835 1HG LYS 112 HG2 LYS 112 9.990 16.867 -10.603 836 2HG LYS 112 HG3 LYS 112 11.249 16.475 -9.420 837 1HD LYS 112 HD2 LYS 112 10.694 18.689 -8.282 838 2HD LYS 112 HD3 LYS 112 9.303 18.822 -9.361 839 1HE LYS 112 HE2 LYS 112 9.793 16.691 -7.251 840 2HE LYS 112 HE3 LYS 112 8.594 17.978 -7.228 841 1HZ LYS 112 HZ1 LYS 112 7.635 16.866 -9.278 842 2HZ LYS 112 HZ2 LYS 112 8.575 15.545 -8.910 843 3HZ LYS 112 HZ3 LYS 112 7.453 16.074 -7.869 844 H TYR 113 H TYR 113 11.579 19.597 -13.930 845 HA TYR 113 HA TYR 113 13.037 20.432 -15.270 846 1HB TYR 113 HB2 TYR 113 13.263 22.901 -15.294 847 2HB TYR 113 HB3 TYR 113 11.647 22.248 -15.270 848 HD1 TYR 113 HD1 TYR 113 10.141 22.541 -13.371 849 HD2 TYR 113 HD2 TYR 113 14.109 24.232 -13.351 850 HE1 TYR 113 HE1 TYR 113 9.515 23.970 -11.448 851 HE2 TYR 113 HE2 TYR 113 13.497 25.669 -11.436 852 HH TYR 113 HH TYR 113 11.823 26.280 -9.931 853 HA PRO 114 HA PRO 114 17.007 20.098 -12.786 854 1HB PRO 114 HB2 PRO 114 17.227 17.722 -14.618 855 2HB PRO 114 HB3 PRO 114 17.791 17.893 -12.926 856 1HG PRO 114 HG2 PRO 114 15.577 16.444 -13.538 857 2HG PRO 114 HG3 PRO 114 15.608 17.495 -12.085 858 1HD PRO 114 HD2 PRO 114 14.395 18.093 -14.798 859 2HD PRO 114 HD3 PRO 114 13.725 18.332 -13.162 860 H ASP 115 H ASP 115 15.726 19.782 -16.038 861 HA ASP 115 HA ASP 115 17.601 21.714 -17.137 862 1HB ASP 115 HB2 ASP 115 18.501 19.476 -17.852 863 2HB ASP 115 HB3 ASP 115 16.929 19.104 -18.570 864 H TYR 116 H TYR 116 16.479 22.641 -19.135 865 HA TYR 116 HA TYR 116 13.954 23.530 -18.265 866 1HB TYR 116 HB2 TYR 116 15.229 23.760 -21.017 867 2HB TYR 116 HB3 TYR 116 13.858 24.703 -20.453 868 HD1 TYR 116 HD1 TYR 116 14.142 26.236 -18.417 869 HD2 TYR 116 HD2 TYR 116 17.478 24.471 -20.513 870 HE1 TYR 116 HE1 TYR 116 15.650 27.928 -17.426 871 HE2 TYR 116 HE2 TYR 116 18.995 26.160 -19.528 872 HH TYR 116 HH TYR 116 17.837 28.723 -17.282 873 H GLU 117 H GLU 117 14.695 20.902 -20.567 874 HA GLU 117 HA GLU 117 11.960 19.980 -20.505 875 1HB GLU 117 HB2 GLU 117 11.820 21.735 -22.252 876 2HB GLU 117 HB3 GLU 117 13.179 21.008 -23.117 877 1HG GLU 117 HG2 GLU 117 11.850 19.054 -23.669 878 2HG GLU 117 HG3 GLU 117 10.560 19.552 -22.566 879 H VAL 118 H VAL 118 11.864 17.833 -21.655 880 HA VAL 118 HA VAL 118 14.312 16.654 -22.639 881 HB VAL 118 HB VAL 118 13.962 14.566 -21.274 882 1HG1 VAL 118 HG11 VAL 118 14.784 16.910 -19.534 883 2HG1 VAL 118 HG12 VAL 118 15.351 15.223 -19.481 884 3HG1 VAL 118 HG13 VAL 118 15.767 16.258 -20.855 885 1HG2 VAL 118 HG21 VAL 118 12.447 16.325 -19.299 886 2HG2 VAL 118 HG22 VAL 118 11.659 15.164 -20.387 887 3HG2 VAL 118 HG23 VAL 118 12.825 14.591 -19.185 888 H THR 119 H THR 119 13.665 14.354 -23.483 889 HA THR 119 HA THR 119 10.869 14.184 -24.398 890 HB THR 119 HB THR 119 11.884 13.750 -26.761 891 HG1 THR 119 HG1 THR 119 13.946 15.258 -25.513 892 1HG2 THR 119 HG21 THR 119 11.879 16.620 -25.756 893 2HG2 THR 119 HG22 THR 119 11.701 16.062 -27.433 894 3HG2 THR 119 HG23 THR 119 10.443 15.688 -26.243 895 H TRP 120 H TRP 120 10.696 11.945 -25.700 896 HA TRP 120 HA TRP 120 12.787 10.082 -24.953 897 1HB TRP 120 HB2 TRP 120 11.418 8.465 -23.844 898 2HB TRP 120 HB3 TRP 120 11.222 9.969 -22.979 899 HD1 TRP 120 HD1 TRP 120 8.794 11.303 -23.962 900 HE1 TRP 120 HE1 TRP 120 6.468 10.252 -24.036 901 HE3 TRP 120 HE3 TRP 120 10.170 6.395 -24.347 902 HZ2 TRP 120 HZ2 TRP 120 5.335 7.584 -24.210 903 HZ3 TRP 120 HZ3 TRP 120 8.447 4.616 -24.429 904 HH2 TRP 120 HH2 TRP 120 6.031 5.195 -24.366 905 H ALA 121 H ALA 121 12.481 7.950 -25.910 906 HA ALA 121 HA ALA 121 10.380 7.619 -27.873 907 1HB ALA 121 HB1 ALA 121 11.955 6.980 -29.709 908 2HB ALA 121 HB2 ALA 121 12.142 8.691 -29.278 909 3HB ALA 121 HB3 ALA 121 13.331 7.493 -28.711 910 H ASN 122 H ASN 122 9.996 5.389 -28.178 911 HA ASN 122 HA ASN 122 11.154 3.596 -26.175 912 1HB ASN 122 HB2 ASN 122 9.358 2.143 -26.689 913 2HB ASN 122 HB3 ASN 122 8.692 3.766 -26.575 914 1HD2 ASN 122 HD22 ASN 122 7.905 1.148 -28.131 915 2HD2 ASN 122 HD21 ASN 122 7.577 1.743 -29.736 916 H ASP 123 H ASP 123 13.143 4.306 -27.885 917 HA ASP 123 HA ASP 123 13.710 1.957 -29.589 918 1HB ASP 123 HB2 ASP 123 12.455 3.839 -30.882 919 2HB ASP 123 HB3 ASP 123 13.935 4.771 -30.712 920 H GLY 124 H GLY 124 16.107 3.192 -30.720 921 1HA GLY 124 HA2 GLY 124 18.180 3.986 -30.266 922 2HA GLY 124 HA3 GLY 124 17.604 4.574 -28.710 923 H TYR 125 H TYR 125 16.751 1.819 -27.941 924 HA TYR 125 HA TYR 125 17.431 0.024 -26.789 925 1HB TYR 125 HB2 TYR 125 19.085 -0.399 -29.283 926 2HB TYR 125 HB3 TYR 125 18.607 -1.637 -28.132 927 HD1 TYR 125 HD1 TYR 125 17.578 0.331 -31.015 928 HD2 TYR 125 HD2 TYR 125 16.103 -2.109 -27.776 929 HE1 TYR 125 HE1 TYR 125 15.411 0.107 -32.182 930 HE2 TYR 125 HE2 TYR 125 13.927 -2.339 -28.935 931 HH TYR 125 HH TYR 125 13.258 -0.777 -32.106 Start of MODEL 4 1 1H MET 1 H1 MET 1 8.743 9.987 18.744 2 2H MET 1 H2 MET 1 9.080 8.609 17.931 3 3H MET 1 H3 MET 1 9.454 8.737 19.521 4 HA MET 1 HA MET 1 11.038 10.449 19.112 5 1HB MET 1 HB2 MET 1 11.826 8.109 19.126 6 2HB MET 1 HB3 MET 1 11.586 8.002 17.381 7 1HG MET 1 HG2 MET 1 13.251 9.850 17.072 8 2HG MET 1 HG3 MET 1 13.441 9.943 18.823 9 1HE MET 1 HE1 MET 1 14.270 8.071 15.524 10 2HE MET 1 HE2 MET 1 15.039 6.567 16.074 11 3HE MET 1 HE3 MET 1 13.294 6.795 16.291 12 H ALA 2 H ALA 2 10.587 9.045 15.775 13 HA ALA 2 HA ALA 2 9.968 11.676 14.662 14 1HB ALA 2 HB1 ALA 2 12.516 10.144 13.927 15 2HB ALA 2 HB2 ALA 2 11.900 11.590 13.102 16 3HB ALA 2 HB3 ALA 2 12.459 11.704 14.779 17 H VAL 3 H VAL 3 9.610 11.385 12.242 18 HA VAL 3 HA VAL 3 9.154 8.700 11.263 19 HB VAL 3 HB VAL 3 7.121 9.183 12.608 20 1HG1 VAL 3 HG11 VAL 3 6.543 11.418 10.625 21 2HG1 VAL 3 HG12 VAL 3 5.462 10.819 11.898 22 3HG1 VAL 3 HG13 VAL 3 6.970 11.630 12.338 23 1HG2 VAL 3 HG21 VAL 3 5.493 8.447 11.052 24 2HG2 VAL 3 HG22 VAL 3 6.396 9.052 9.664 25 3HG2 VAL 3 HG23 VAL 3 7.027 7.683 10.612 26 H ALA 4 H ALA 4 8.324 8.940 8.891 27 HA ALA 4 HA ALA 4 8.929 11.457 7.568 28 1HB ALA 4 HB1 ALA 4 10.487 10.191 5.937 29 2HB ALA 4 HB2 ALA 4 11.162 10.561 7.533 30 3HB ALA 4 HB3 ALA 4 10.594 8.927 7.179 31 H ASP 5 H ASP 5 8.477 10.948 5.055 32 HA ASP 5 HA ASP 5 6.486 8.862 4.599 33 1HB ASP 5 HB2 ASP 5 5.059 10.556 5.635 34 2HB ASP 5 HB3 ASP 5 5.765 11.825 4.624 35 H LEU 6 H LEU 6 5.854 8.889 2.281 36 HA LEU 6 HA LEU 6 7.984 9.046 0.478 37 1HB LEU 6 HB2 LEU 6 4.977 9.232 0.024 38 2HB LEU 6 HB3 LEU 6 6.156 9.056 -1.256 39 HG LEU 6 HG LEU 6 5.585 7.015 0.912 40 1HD1 LEU 6 HD11 LEU 6 4.709 5.678 -0.990 41 2HD1 LEU 6 HD12 LEU 6 3.820 7.196 -0.792 42 3HD1 LEU 6 HD13 LEU 6 5.007 7.036 -2.087 43 1HD2 LEU 6 HD21 LEU 6 7.928 6.789 0.355 44 2HD2 LEU 6 HD22 LEU 6 7.048 5.499 -0.457 45 3HD2 LEU 6 HD23 LEU 6 7.581 6.908 -1.389 46 H ALA 7 H ALA 7 5.655 11.609 1.383 47 HA ALA 7 HA ALA 7 6.123 13.312 -0.813 48 1HB ALA 7 HB1 ALA 7 5.166 15.073 0.624 49 2HB ALA 7 HB2 ALA 7 4.236 13.570 0.755 50 3HB ALA 7 HB3 ALA 7 5.367 14.035 2.051 51 H LEU 8 H LEU 8 8.186 12.653 1.964 52 HA LEU 8 HA LEU 8 9.675 15.175 1.766 53 1HB LEU 8 HB2 LEU 8 10.351 12.605 3.254 54 2HB LEU 8 HB3 LEU 8 11.143 14.164 3.445 55 HG LEU 8 HG LEU 8 8.281 13.477 4.228 56 1HD1 LEU 8 HD11 LEU 8 9.071 13.833 6.507 57 2HD1 LEU 8 HD12 LEU 8 10.100 12.629 5.708 58 3HD1 LEU 8 HD13 LEU 8 10.685 14.287 5.917 59 1HD2 LEU 8 HD21 LEU 8 8.280 15.803 3.467 60 2HD2 LEU 8 HD22 LEU 8 8.193 15.761 5.228 61 3HD2 LEU 8 HD23 LEU 8 9.734 16.154 4.432 62 H ILE 9 H ILE 9 9.718 12.123 0.108 63 HA ILE 9 HA ILE 9 12.548 11.880 -0.232 64 HB ILE 9 HB ILE 9 10.227 10.632 -1.768 65 1HG1 ILE 9 HG12 ILE 9 11.832 9.681 0.652 66 2HG1 ILE 9 HG13 ILE 9 10.120 10.137 0.650 67 1HG2 ILE 9 HG21 ILE 9 12.350 10.475 -3.028 68 2HG2 ILE 9 HG22 ILE 9 13.130 9.751 -1.612 69 3HG2 ILE 9 HG23 ILE 9 11.827 8.902 -2.470 70 1HD1 ILE 9 HD11 ILE 9 9.716 8.210 -0.953 71 2HD1 ILE 9 HD12 ILE 9 11.377 7.678 -0.578 72 3HD1 ILE 9 HD13 ILE 9 10.177 7.786 0.713 73 HA PRO 10 HA PRO 10 12.793 14.954 -3.585 74 1HB PRO 10 HB2 PRO 10 15.246 14.295 -4.655 75 2HB PRO 10 HB3 PRO 10 15.040 15.222 -3.137 76 1HG PRO 10 HG2 PRO 10 15.570 12.260 -3.457 77 2HG PRO 10 HG3 PRO 10 16.360 13.413 -2.336 78 1HD PRO 10 HD2 PRO 10 14.335 11.770 -1.548 79 2HD PRO 10 HD3 PRO 10 14.491 13.426 -0.894 80 H ASP 11 H ASP 11 12.136 14.858 -5.748 81 HA ASP 11 HA ASP 11 11.138 12.247 -6.522 82 1HB ASP 11 HB2 ASP 11 9.898 14.462 -6.552 83 2HB ASP 11 HB3 ASP 11 10.829 14.885 -7.993 84 H VAL 12 H VAL 12 13.556 14.513 -7.894 85 HA VAL 12 HA VAL 12 14.430 12.430 -9.831 86 HB VAL 12 HB VAL 12 13.801 15.333 -10.492 87 1HG1 VAL 12 HG11 VAL 12 14.286 14.730 -12.833 88 2HG1 VAL 12 HG12 VAL 12 15.712 14.516 -11.830 89 3HG1 VAL 12 HG13 VAL 12 14.766 13.094 -12.329 90 1HG2 VAL 12 HG21 VAL 12 12.335 12.813 -11.326 91 2HG2 VAL 12 HG22 VAL 12 11.702 14.170 -10.369 92 3HG2 VAL 12 HG23 VAL 12 12.112 14.419 -12.060 93 H ASP 13 H ASP 13 16.646 12.451 -10.124 94 HA ASP 13 HA ASP 13 18.218 14.823 -9.724 95 1HB ASP 13 HB2 ASP 13 18.188 14.074 -7.373 96 2HB ASP 13 HB3 ASP 13 18.685 12.453 -7.862 97 H ILE 14 H ILE 14 19.544 14.685 -11.499 98 HA ILE 14 HA ILE 14 20.418 12.060 -12.499 99 HB ILE 14 HB ILE 14 19.667 12.600 -14.776 100 1HG1 ILE 14 HG12 ILE 14 17.858 14.740 -13.580 101 2HG1 ILE 14 HG13 ILE 14 19.385 15.100 -14.389 102 1HG2 ILE 14 HG21 ILE 14 18.402 11.064 -13.274 103 2HG2 ILE 14 HG22 ILE 14 17.315 12.406 -12.863 104 3HG2 ILE 14 HG23 ILE 14 17.409 11.806 -14.530 105 1HD1 ILE 14 HD11 ILE 14 17.582 15.381 -15.972 106 2HD1 ILE 14 HD12 ILE 14 18.542 13.974 -16.457 107 3HD1 ILE 14 HD13 ILE 14 16.970 13.752 -15.654 108 H ASP 15 H ASP 15 21.839 12.497 -14.557 109 HA ASP 15 HA ASP 15 23.803 14.595 -13.774 110 1HB ASP 15 HB2 ASP 15 24.237 12.256 -13.076 111 2HB ASP 15 HB3 ASP 15 24.205 11.765 -14.776 112 H SER 16 H SER 16 22.092 15.487 -15.551 113 HA SER 16 HA SER 16 22.042 14.927 -18.175 114 1HB SER 16 HB2 SER 16 21.903 17.713 -17.006 115 2HB SER 16 HB3 SER 16 21.004 17.064 -18.389 116 HG SER 16 HG SER 16 19.745 17.123 -16.482 117 H ASP 17 H ASP 17 25.033 15.620 -17.039 118 HA ASP 17 HA ASP 17 25.962 17.754 -18.758 119 1HB ASP 17 HB2 ASP 17 27.004 17.194 -16.598 120 2HB ASP 17 HB3 ASP 17 27.434 15.593 -17.204 121 H GLY 18 H GLY 18 25.359 14.346 -19.309 122 1HA GLY 18 HA2 GLY 18 26.396 14.425 -22.024 123 2HA GLY 18 HA3 GLY 18 27.403 13.487 -20.912 124 H VAL 19 H VAL 19 26.854 11.614 -22.215 125 HA VAL 19 HA VAL 19 24.100 10.566 -22.079 126 HB VAL 19 HB VAL 19 26.680 9.429 -23.257 127 1HG1 VAL 19 HG11 VAL 19 23.812 8.430 -23.531 128 2HG1 VAL 19 HG12 VAL 19 25.205 7.827 -24.449 129 3HG1 VAL 19 HG13 VAL 19 25.144 7.602 -22.700 130 1HG2 VAL 19 HG21 VAL 19 25.637 9.956 -25.459 131 2HG2 VAL 19 HG22 VAL 19 24.317 10.790 -24.617 132 3HG2 VAL 19 HG23 VAL 19 25.976 11.407 -24.516 133 H PHE 20 H PHE 20 23.480 9.083 -20.508 134 HA PHE 20 HA PHE 20 25.399 7.455 -19.057 135 1HB PHE 20 HB2 PHE 20 24.781 8.245 -16.827 136 2HB PHE 20 HB3 PHE 20 25.576 9.520 -17.727 137 HD1 PHE 20 HD1 PHE 20 22.507 8.557 -16.000 138 HD2 PHE 20 HD2 PHE 20 24.195 11.383 -18.753 139 HE1 PHE 20 HE1 PHE 20 20.552 10.054 -15.657 140 HE2 PHE 20 HE2 PHE 20 22.214 12.828 -18.493 141 HZ PHE 20 HZ PHE 20 20.399 12.197 -16.914 142 H LYS 21 H LYS 21 24.078 6.090 -17.380 143 HA LYS 21 HA LYS 21 21.530 5.319 -18.718 144 1HB LYS 21 HB2 LYS 21 23.399 3.743 -16.903 145 2HB LYS 21 HB3 LYS 21 21.867 3.147 -17.549 146 1HG LYS 21 HG2 LYS 21 22.701 3.339 -19.857 147 2HG LYS 21 HG3 LYS 21 24.236 4.009 -19.264 148 1HD LYS 21 HD2 LYS 21 24.577 1.916 -17.933 149 2HD LYS 21 HD3 LYS 21 23.141 1.220 -18.701 150 1HE LYS 21 HE2 LYS 21 24.192 1.458 -20.926 151 2HE LYS 21 HE3 LYS 21 25.595 2.251 -20.194 152 1HZ LYS 21 HZ1 LYS 21 26.021 0.191 -18.962 153 2HZ LYS 21 HZ2 LYS 21 24.780 -0.558 -19.739 154 3HZ LYS 21 HZ3 LYS 21 26.082 -0.052 -20.582 155 H TYR 22 H TYR 22 19.738 4.668 -17.371 156 HA TYR 22 HA TYR 22 19.703 5.881 -14.676 157 1HB TYR 22 HB2 TYR 22 18.469 7.645 -15.254 158 2HB TYR 22 HB3 TYR 22 18.887 7.322 -16.914 159 HD1 TYR 22 HD1 TYR 22 16.235 7.609 -14.526 160 HD2 TYR 22 HD2 TYR 22 17.336 5.648 -18.199 161 HE1 TYR 22 HE1 TYR 22 13.863 7.005 -14.904 162 HE2 TYR 22 HE2 TYR 22 14.984 4.971 -18.547 163 HH TYR 22 HH TYR 22 12.354 5.966 -16.307 164 H VAL 23 H VAL 23 17.485 5.450 -13.654 165 HA VAL 23 HA VAL 23 16.165 3.003 -14.565 166 HB VAL 23 HB VAL 23 18.132 2.352 -13.126 167 1HG1 VAL 23 HG11 VAL 23 18.028 2.661 -10.699 168 2HG1 VAL 23 HG12 VAL 23 18.116 4.230 -11.524 169 3HG1 VAL 23 HG13 VAL 23 16.582 3.672 -10.863 170 1HG2 VAL 23 HG21 VAL 23 16.269 0.831 -13.380 171 2HG2 VAL 23 HG22 VAL 23 16.950 0.728 -11.756 172 3HG2 VAL 23 HG23 VAL 23 15.415 1.584 -12.015 173 H LEU 24 H LEU 24 14.069 2.764 -13.566 174 HA LEU 24 HA LEU 24 12.976 5.227 -12.281 175 1HB LEU 24 HB2 LEU 24 12.179 4.807 -14.629 176 2HB LEU 24 HB3 LEU 24 11.621 3.218 -14.139 177 HG LEU 24 HG LEU 24 9.975 4.358 -12.549 178 1HD1 LEU 24 HD11 LEU 24 10.887 6.872 -14.009 179 2HD1 LEU 24 HD12 LEU 24 9.520 6.736 -12.886 180 3HD1 LEU 24 HD13 LEU 24 11.154 6.524 -12.282 181 1HD2 LEU 24 HD21 LEU 24 9.296 3.576 -14.777 182 2HD2 LEU 24 HD22 LEU 24 8.438 5.049 -14.311 183 3HD2 LEU 24 HD23 LEU 24 9.771 5.145 -15.482 184 H ILE 25 H ILE 25 12.567 4.701 -10.113 185 HA ILE 25 HA ILE 25 11.904 1.853 -9.587 186 HB ILE 25 HB ILE 25 13.404 1.510 -8.137 187 1HG1 ILE 25 HG12 ILE 25 13.383 4.265 -6.896 188 2HG1 ILE 25 HG13 ILE 25 12.328 2.941 -6.401 189 1HG2 ILE 25 HG21 ILE 25 14.807 2.527 -9.896 190 2HG2 ILE 25 HG22 ILE 25 14.838 4.051 -8.957 191 3HG2 ILE 25 HG23 ILE 25 15.570 2.576 -8.311 192 1HD1 ILE 25 HD11 ILE 25 15.345 2.982 -6.163 193 2HD1 ILE 25 HD12 ILE 25 14.135 2.982 -4.874 194 3HD1 ILE 25 HD13 ILE 25 14.322 1.545 -5.900 195 H ARG 26 H ARG 26 10.254 1.365 -8.396 196 HA ARG 26 HA ARG 26 8.371 3.461 -7.530 197 1HB ARG 26 HB2 ARG 26 7.578 1.428 -8.668 198 2HB ARG 26 HB3 ARG 26 8.294 0.402 -7.432 199 1HG ARG 26 HG2 ARG 26 6.729 1.016 -5.791 200 2HG ARG 26 HG3 ARG 26 6.293 2.525 -6.599 201 1HD ARG 26 HD2 ARG 26 5.645 -0.215 -7.756 202 2HD ARG 26 HD3 ARG 26 4.538 0.706 -6.712 203 HE ARG 26 HE ARG 26 5.286 2.525 -8.632 204 1HH1 ARG 26 HH11 ARG 26 3.652 -0.634 -8.779 205 2HH1 ARG 26 HH12 ARG 26 2.806 -0.275 -10.237 206 1HH2 ARG 26 HH21 ARG 26 4.218 3.005 -10.537 207 2HH2 ARG 26 HH22 ARG 26 3.117 1.866 -11.260 208 H VAL 27 H VAL 27 7.923 3.810 -5.355 209 HA VAL 27 HA VAL 27 9.614 2.530 -3.273 210 HB VAL 27 HB VAL 27 8.823 5.477 -3.480 211 1HG1 VAL 27 HG11 VAL 27 9.298 4.612 -1.189 212 2HG1 VAL 27 HG12 VAL 27 10.920 4.128 -1.736 213 3HG1 VAL 27 HG13 VAL 27 10.457 5.835 -1.724 214 1HG2 VAL 27 HG21 VAL 27 11.520 4.281 -4.230 215 2HG2 VAL 27 HG22 VAL 27 10.388 5.126 -5.315 216 3HG2 VAL 27 HG23 VAL 27 11.175 6.015 -4.019 217 H HIS 28 H HIS 28 8.262 1.707 -1.697 218 HA HIS 28 HA HIS 28 5.355 2.383 -1.713 219 1HB HIS 28 HB2 HIS 28 6.892 0.205 -0.253 220 2HB HIS 28 HB3 HIS 28 5.143 0.348 -0.416 221 HD1 HIS 28 HD1 HIS 28 4.435 0.333 -3.310 222 HD2 HIS 28 HD2 HIS 28 7.961 -1.482 -1.905 223 HE1 HIS 28 HE1 HIS 28 5.126 -1.366 -5.077 224 H SER 29 H SER 29 4.325 3.242 0.167 225 HA SER 29 HA SER 29 5.878 4.816 1.924 226 1HB SER 29 HB2 SER 29 3.108 3.792 2.502 227 2HB SER 29 HB3 SER 29 3.844 5.268 3.109 228 HG SER 29 HG SER 29 3.458 6.216 1.216 229 H ALA 30 H ALA 30 7.443 3.718 3.030 230 HA ALA 30 HA ALA 30 6.485 2.472 5.487 231 1HB ALA 30 HB1 ALA 30 8.603 1.110 3.770 232 2HB ALA 30 HB2 ALA 30 8.077 0.603 5.383 233 3HB ALA 30 HB3 ALA 30 6.945 0.542 4.027 234 HA PRO 31 HA PRO 31 10.707 5.030 5.700 235 1HB PRO 31 HB2 PRO 31 8.864 7.363 6.115 236 2HB PRO 31 HB3 PRO 31 10.588 7.355 5.603 237 1HG PRO 31 HG2 PRO 31 8.595 7.632 3.782 238 2HG PRO 31 HG3 PRO 31 10.043 6.649 3.444 239 1HD PRO 31 HD2 PRO 31 7.275 5.747 4.175 240 2HD PRO 31 HD3 PRO 31 8.497 4.984 3.109 241 H ARG 32 H ARG 32 11.540 5.273 7.685 242 HA ARG 32 HA ARG 32 11.815 4.545 9.785 243 1HB ARG 32 HB2 ARG 32 9.760 6.744 10.152 244 2HB ARG 32 HB3 ARG 32 10.721 6.111 11.479 245 1HG ARG 32 HG2 ARG 32 12.058 7.309 9.017 246 2HG ARG 32 HG3 ARG 32 11.474 8.292 10.347 247 1HD ARG 32 HD2 ARG 32 13.814 7.926 10.697 248 2HD ARG 32 HD3 ARG 32 12.911 7.084 11.944 249 HE ARG 32 HE ARG 32 13.646 5.052 11.176 250 1HH1 ARG 32 HH22 ARG 32 14.763 7.560 8.897 251 2HH1 ARG 32 HH21 ARG 32 15.763 6.440 8.010 252 1HH2 ARG 32 HH12 ARG 32 14.949 3.614 9.886 253 2HH2 ARG 32 HH11 ARG 32 15.813 4.256 8.519 254 H SER 33 H SER 33 9.731 2.952 8.372 255 HA SER 33 HA SER 33 8.166 1.422 8.724 256 1HB SER 33 HB2 SER 33 9.397 1.130 11.489 257 2HB SER 33 HB3 SER 33 8.501 -0.096 10.577 258 HG SER 33 HG SER 33 10.772 -0.368 10.415 259 H GLY 34 H GLY 34 7.395 4.193 9.342 260 1HA GLY 34 HA2 GLY 34 5.026 3.687 11.063 261 2HA GLY 34 HA3 GLY 34 6.212 4.897 11.572 262 H ALA 35 H ALA 35 6.114 4.933 8.180 263 HA ALA 35 HA ALA 35 4.856 7.397 7.874 264 1HB ALA 35 HB1 ALA 35 6.284 6.377 6.194 265 2HB ALA 35 HB2 ALA 35 5.083 5.089 5.895 266 3HB ALA 35 HB3 ALA 35 4.714 6.776 5.474 267 HA PRO 36 HA PRO 36 0.692 6.635 8.698 268 1HB PRO 36 HB2 PRO 36 -0.660 8.618 7.360 269 2HB PRO 36 HB3 PRO 36 0.496 8.925 8.688 270 1HG PRO 36 HG2 PRO 36 1.044 8.988 5.699 271 2HG PRO 36 HG3 PRO 36 1.422 10.253 6.917 272 1HD PRO 36 HD2 PRO 36 3.290 8.453 6.145 273 2HD PRO 36 HD3 PRO 36 3.165 8.955 7.856 274 H ALA 37 H ALA 37 1.605 5.580 5.622 275 HA ALA 37 HA ALA 37 -1.064 4.493 5.015 276 1HB ALA 37 HB1 ALA 37 -0.984 6.812 4.035 277 2HB ALA 37 HB2 ALA 37 0.427 6.320 3.072 278 3HB ALA 37 HB3 ALA 37 -1.157 5.542 2.819 279 H ALA 38 H ALA 38 -0.728 3.475 2.614 280 HA ALA 38 HA ALA 38 1.918 2.245 2.226 281 1HB ALA 38 HB1 ALA 38 1.000 0.054 1.825 282 2HB ALA 38 HB2 ALA 38 0.686 0.547 3.501 283 3HB ALA 38 HB3 ALA 38 -0.630 0.602 2.296 284 H GLU 39 H GLU 39 1.261 4.401 0.954 285 HA GLU 39 HA GLU 39 -0.055 3.786 -1.610 286 1HB GLU 39 HB2 GLU 39 1.314 6.306 -0.544 287 2HB GLU 39 HB3 GLU 39 0.559 6.167 -2.127 288 1HG GLU 39 HG2 GLU 39 -0.866 5.972 0.551 289 2HG GLU 39 HG3 GLU 39 -0.900 7.332 -0.558 290 H SER 40 H SER 40 1.609 4.951 -3.435 291 HA SER 40 HA SER 40 4.360 4.305 -2.916 292 1HB SER 40 HB2 SER 40 3.011 2.894 -5.250 293 2HB SER 40 HB3 SER 40 4.703 2.763 -4.757 294 HG SER 40 HG SER 40 3.124 2.217 -2.669 295 H LYS 41 H LYS 41 5.745 5.053 -4.690 296 HA LYS 41 HA LYS 41 4.601 6.789 -6.742 297 1HB LYS 41 HB2 LYS 41 5.844 8.795 -6.037 298 2HB LYS 41 HB3 LYS 41 4.647 8.320 -4.860 299 1HG LYS 41 HG2 LYS 41 6.351 8.856 -3.461 300 2HG LYS 41 HG3 LYS 41 6.602 7.128 -3.610 301 1HD LYS 41 HD2 LYS 41 8.719 7.951 -3.659 302 2HD LYS 41 HD3 LYS 41 8.423 7.714 -5.369 303 1HE LYS 41 HE2 LYS 41 8.144 10.377 -3.870 304 2HE LYS 41 HE3 LYS 41 9.609 9.841 -4.690 305 1HZ LYS 41 HZ1 LYS 41 8.443 11.248 -6.217 306 2HZ LYS 41 HZ2 LYS 41 8.292 9.756 -6.780 307 3HZ LYS 41 HZ3 LYS 41 7.025 10.469 -5.989 308 H GLU 42 H GLU 42 6.423 7.598 -8.188 309 HA GLU 42 HA GLU 42 8.620 5.581 -8.259 310 1HB GLU 42 HB2 GLU 42 7.079 7.100 -10.386 311 2HB GLU 42 HB3 GLU 42 8.746 6.634 -10.681 312 1HG GLU 42 HG2 GLU 42 7.420 4.956 -11.637 313 2HG GLU 42 HG3 GLU 42 8.203 4.263 -10.223 314 H ILE 43 H ILE 43 10.760 6.358 -8.739 315 HA ILE 43 HA ILE 43 11.170 9.290 -8.798 316 HB ILE 43 HB ILE 43 13.194 9.033 -7.409 317 1HG1 ILE 43 HG12 ILE 43 12.143 6.273 -6.673 318 2HG1 ILE 43 HG13 ILE 43 13.545 6.575 -7.703 319 1HG2 ILE 43 HG21 ILE 43 10.983 9.814 -6.528 320 2HG2 ILE 43 HG22 ILE 43 10.711 8.161 -5.911 321 3HG2 ILE 43 HG23 ILE 43 12.054 9.154 -5.290 322 1HD1 ILE 43 HD11 ILE 43 14.704 7.698 -5.830 323 2HD1 ILE 43 HD12 ILE 43 13.316 7.350 -4.768 324 3HD1 ILE 43 HD13 ILE 43 14.256 6.021 -5.451 325 H VAL 44 H VAL 44 13.116 9.899 -9.824 326 HA VAL 44 HA VAL 44 14.011 7.952 -11.917 327 HB VAL 44 HB VAL 44 13.573 10.975 -11.945 328 1HG1 VAL 44 HG11 VAL 44 15.446 10.374 -13.446 329 2HG1 VAL 44 HG12 VAL 44 14.400 9.194 -14.267 330 3HG1 VAL 44 HG13 VAL 44 14.027 10.923 -14.341 331 1HG2 VAL 44 HG21 VAL 44 11.764 10.563 -13.526 332 2HG2 VAL 44 HG22 VAL 44 12.052 8.814 -13.452 333 3HG2 VAL 44 HG23 VAL 44 11.443 9.688 -12.030 334 H ARG 45 H ARG 45 16.163 7.437 -11.715 335 HA ARG 45 HA ARG 45 18.051 9.523 -10.767 336 1HB ARG 45 HB2 ARG 45 17.989 6.619 -9.803 337 2HB ARG 45 HB3 ARG 45 19.342 7.709 -9.552 338 1HG ARG 45 HG2 ARG 45 16.564 7.974 -8.359 339 2HG ARG 45 HG3 ARG 45 18.032 7.512 -7.526 340 1HD ARG 45 HD2 ARG 45 18.529 9.598 -7.010 341 2HD ARG 45 HD3 ARG 45 18.598 10.038 -8.707 342 HE ARG 45 HE ARG 45 16.324 10.617 -8.715 343 1HH1 ARG 45 HH21 ARG 45 17.453 9.906 -5.414 344 2HH1 ARG 45 HH22 ARG 45 15.975 10.381 -4.663 345 1HH2 ARG 45 HH11 ARG 45 14.359 11.234 -7.707 346 2HH2 ARG 45 HH12 ARG 45 14.217 11.239 -5.990 347 H GLY 46 H GLY 46 20.090 9.375 -11.779 348 1HA GLY 46 HA2 GLY 46 21.053 7.053 -13.036 349 2HA GLY 46 HA3 GLY 46 20.386 8.111 -14.290 350 H TYR 47 H TYR 47 23.239 7.334 -13.540 351 HA TYR 47 HA TYR 47 24.403 10.031 -13.500 352 1HB TYR 47 HB2 TYR 47 25.202 7.964 -11.428 353 2HB TYR 47 HB3 TYR 47 25.812 9.602 -11.587 354 HD1 TYR 47 HD1 TYR 47 23.075 7.482 -10.402 355 HD2 TYR 47 HD2 TYR 47 24.479 11.536 -10.759 356 HE1 TYR 47 HE1 TYR 47 21.410 8.197 -8.699 357 HE2 TYR 47 HE2 TYR 47 22.812 12.272 -9.086 358 HH TYR 47 HH TYR 47 21.127 11.626 -7.643 359 H LYS 48 H LYS 48 26.625 10.001 -14.256 360 HA LYS 48 HA LYS 48 27.209 7.933 -16.071 361 1HB LYS 48 HB2 LYS 48 28.092 10.331 -16.017 362 2HB LYS 48 HB3 LYS 48 29.225 9.819 -14.767 363 1HG LYS 48 HG2 LYS 48 30.287 9.911 -16.955 364 2HG LYS 48 HG3 LYS 48 30.277 8.240 -16.382 365 1HD LYS 48 HD2 LYS 48 28.468 7.652 -17.881 366 2HD LYS 48 HD3 LYS 48 28.147 9.363 -18.249 367 1HE LYS 48 HE2 LYS 48 30.338 9.556 -19.352 368 2HE LYS 48 HE3 LYS 48 30.701 7.863 -18.981 369 1HZ LYS 48 HZ1 LYS 48 28.368 8.715 -20.599 370 2HZ LYS 48 HZ2 LYS 48 29.810 8.264 -21.255 371 3HZ LYS 48 HZ3 LYS 48 28.924 7.185 -20.410 372 H TRP 49 H TRP 49 28.096 8.190 -12.615 373 HA TRP 49 HA TRP 49 30.050 6.114 -12.710 374 1HB TRP 49 HB2 TRP 49 29.686 5.972 -10.237 375 2HB TRP 49 HB3 TRP 49 30.205 7.507 -10.885 376 HD1 TRP 49 HD1 TRP 49 29.003 9.559 -10.074 377 HE1 TRP 49 HE1 TRP 49 26.945 10.085 -8.671 378 HE3 TRP 49 HE3 TRP 49 26.988 4.850 -9.788 379 HZ2 TRP 49 HZ2 TRP 49 24.665 8.651 -7.583 380 HZ3 TRP 49 HZ3 TRP 49 24.818 4.496 -8.695 381 HH2 TRP 49 HH2 TRP 49 23.610 6.389 -7.612 382 H ALA 50 H ALA 50 26.496 5.914 -12.674 383 HA ALA 50 HA ALA 50 26.619 3.036 -12.070 384 1HB ALA 50 HB1 ALA 50 24.755 4.199 -11.132 385 2HB ALA 50 HB2 ALA 50 24.263 4.823 -12.735 386 3HB ALA 50 HB3 ALA 50 24.219 3.072 -12.380 387 H GLU 51 H GLU 51 28.135 2.701 -13.850 388 HA GLU 51 HA GLU 51 27.367 3.012 -16.583 389 1HB GLU 51 HB2 GLU 51 29.276 1.002 -15.288 390 2HB GLU 51 HB3 GLU 51 29.174 1.349 -17.019 391 1HG GLU 51 HG2 GLU 51 29.760 3.740 -16.531 392 2HG GLU 51 HG3 GLU 51 29.998 3.299 -14.835 393 H TYR 52 H TYR 52 25.900 1.064 -14.251 394 HA TYR 52 HA TYR 52 24.479 -0.460 -16.277 395 1HB TYR 52 HB2 TYR 52 24.566 -2.472 -14.613 396 2HB TYR 52 HB3 TYR 52 25.787 -2.251 -15.850 397 HD1 TYR 52 HD1 TYR 52 25.229 -2.622 -12.296 398 HD2 TYR 52 HD2 TYR 52 27.989 -1.188 -15.261 399 HE1 TYR 52 HE1 TYR 52 27.051 -2.738 -10.624 400 HE2 TYR 52 HE2 TYR 52 29.843 -1.276 -13.595 401 HH TYR 52 HH TYR 52 29.317 -2.376 -10.207 402 H HIS 53 H HIS 53 22.338 -0.623 -15.698 403 HA HIS 53 HA HIS 53 21.273 1.240 -13.920 404 1HB HIS 53 HB2 HIS 53 19.705 -1.208 -14.773 405 2HB HIS 53 HB3 HIS 53 19.140 0.445 -14.555 406 HD1 HIS 53 HD1 HIS 53 19.343 2.028 -16.754 407 HD2 HIS 53 HD2 HIS 53 21.147 -1.777 -17.004 408 HE1 HIS 53 HE1 HIS 53 20.109 1.723 -19.179 409 H ALA 54 H ALA 54 22.001 -2.197 -13.372 410 HA ALA 54 HA ALA 54 20.593 -2.547 -10.945 411 1HB ALA 54 HB1 ALA 54 21.633 -4.403 -12.208 412 2HB ALA 54 HB2 ALA 54 23.249 -3.783 -11.796 413 3HB ALA 54 HB3 ALA 54 22.177 -4.382 -10.518 414 H ASP 55 H ASP 55 23.616 -0.753 -11.579 415 HA ASP 55 HA ASP 55 24.560 -0.777 -8.872 416 1HB ASP 55 HB2 ASP 55 25.866 -0.061 -10.999 417 2HB ASP 55 HB3 ASP 55 25.021 1.457 -10.882 418 H ILE 56 H ILE 56 22.564 1.559 -10.745 419 HA ILE 56 HA ILE 56 22.153 3.280 -8.462 420 HB ILE 56 HB ILE 56 20.044 3.923 -10.049 421 1HG1 ILE 56 HG12 ILE 56 22.058 2.750 -11.982 422 2HG1 ILE 56 HG13 ILE 56 20.309 2.524 -11.876 423 1HG2 ILE 56 HG21 ILE 56 22.840 5.017 -10.295 424 2HG2 ILE 56 HG22 ILE 56 21.313 5.858 -10.667 425 3HG2 ILE 56 HG23 ILE 56 21.660 5.382 -9.013 426 1HD1 ILE 56 HD11 ILE 56 20.056 4.915 -12.605 427 2HD1 ILE 56 HD12 ILE 56 21.825 4.959 -12.850 428 3HD1 ILE 56 HD13 ILE 56 20.831 3.843 -13.794 429 H TYR 57 H TYR 57 20.238 0.536 -9.905 430 HA TYR 57 HA TYR 57 18.010 0.969 -8.216 431 1HB TYR 57 HB2 TYR 57 17.861 -0.645 -10.017 432 2HB TYR 57 HB3 TYR 57 19.137 -1.631 -9.305 433 HD1 TYR 57 HD1 TYR 57 18.327 -3.631 -8.375 434 HD2 TYR 57 HD2 TYR 57 15.954 -0.044 -7.974 435 HE1 TYR 57 HE1 TYR 57 16.718 -4.850 -6.947 436 HE2 TYR 57 HE2 TYR 57 14.373 -1.235 -6.529 437 HH TYR 57 HH TYR 57 13.875 -3.267 -5.421 438 H ASP 58 H ASP 58 21.008 -0.972 -7.569 439 HA ASP 58 HA ASP 58 20.223 -1.758 -4.956 440 1HB ASP 58 HB2 ASP 58 22.004 -2.890 -6.167 441 2HB ASP 58 HB3 ASP 58 22.984 -1.419 -6.181 442 H LYS 59 H LYS 59 22.320 0.986 -6.040 443 HA LYS 59 HA LYS 59 22.934 1.964 -3.451 444 1HB LYS 59 HB2 LYS 59 24.193 2.570 -5.377 445 2HB LYS 59 HB3 LYS 59 22.802 3.314 -6.171 446 1HG LYS 59 HG2 LYS 59 22.893 5.240 -4.930 447 2HG LYS 59 HG3 LYS 59 23.559 4.438 -3.486 448 1HD LYS 59 HD2 LYS 59 25.737 4.246 -4.457 449 2HD LYS 59 HD3 LYS 59 25.159 4.791 -6.039 450 1HE LYS 59 HE2 LYS 59 24.545 7.006 -5.004 451 2HE LYS 59 HE3 LYS 59 25.257 6.457 -3.481 452 1HZ LYS 59 HZ1 LYS 59 26.815 7.779 -4.763 453 2HZ LYS 59 HZ2 LYS 59 27.388 6.260 -4.639 454 3HZ LYS 59 HZ3 LYS 59 26.715 6.772 -6.045 455 H VAL 60 H VAL 60 20.298 2.947 -5.706 456 HA VAL 60 HA VAL 60 19.308 4.980 -3.951 457 HB VAL 60 HB VAL 60 18.003 3.626 -6.324 458 1HG1 VAL 60 HG11 VAL 60 17.330 6.223 -4.846 459 2HG1 VAL 60 HG12 VAL 60 16.545 5.631 -6.334 460 3HG1 VAL 60 HG13 VAL 60 16.362 4.756 -4.799 461 1HG2 VAL 60 HG21 VAL 60 20.218 4.887 -6.744 462 2HG2 VAL 60 HG22 VAL 60 18.813 5.477 -7.605 463 3HG2 VAL 60 HG23 VAL 60 19.413 6.330 -6.146 464 H SER 61 H SER 61 18.271 1.522 -4.548 465 HA SER 61 HA SER 61 16.145 1.672 -2.654 466 1HB SER 61 HB2 SER 61 17.793 -0.765 -3.422 467 2HB SER 61 HB3 SER 61 16.194 -0.753 -2.647 468 HG SER 61 HG SER 61 16.964 -0.058 -5.243 469 H GLY 62 H GLY 62 19.669 1.249 -2.200 470 1HA GLY 62 HA2 GLY 62 19.646 0.466 0.530 471 2HA GLY 62 HA3 GLY 62 20.914 1.391 -0.301 472 H ASP 63 H ASP 63 19.781 3.791 -0.963 473 HA ASP 63 HA ASP 63 19.606 5.136 1.547 474 1HB ASP 63 HB2 ASP 63 20.388 6.268 -0.501 475 2HB ASP 63 HB3 ASP 63 18.762 6.167 -1.189 476 H MET 64 H MET 64 17.011 4.323 -0.878 477 HA MET 64 HA MET 64 14.883 5.413 0.616 478 1HB MET 64 HB2 MET 64 14.883 2.896 -1.107 479 2HB MET 64 HB3 MET 64 13.463 3.800 -0.596 480 1HG MET 64 HG2 MET 64 15.564 4.961 -2.427 481 2HG MET 64 HG3 MET 64 14.036 4.248 -2.912 482 1HE MET 64 HE1 MET 64 15.841 7.405 -2.369 483 2HE MET 64 HE2 MET 64 14.806 8.445 -1.364 484 3HE MET 64 HE3 MET 64 15.621 7.054 -0.639 485 H GLN 65 H GLN 65 16.288 2.060 0.933 486 HA GLN 65 HA GLN 65 14.463 1.308 2.991 487 1HB GLN 65 HB2 GLN 65 17.163 0.338 2.033 488 2HB GLN 65 HB3 GLN 65 16.409 -0.394 3.452 489 1HG GLN 65 HG2 GLN 65 14.486 -1.115 2.196 490 2HG GLN 65 HG3 GLN 65 15.007 -0.231 0.756 491 1HE2 GLN 65 HE22 GLN 65 17.275 -0.860 -0.038 492 2HE2 GLN 65 HE21 GLN 65 17.663 -2.579 -0.059 493 H LYS 66 H LYS 66 17.637 3.017 3.113 494 HA LYS 66 HA LYS 66 17.874 3.000 5.962 495 1HB LYS 66 HB2 LYS 66 19.719 3.487 4.517 496 2HB LYS 66 HB3 LYS 66 18.874 4.823 3.752 497 1HG LYS 66 HG2 LYS 66 18.991 6.161 5.784 498 2HG LYS 66 HG3 LYS 66 19.721 4.800 6.660 499 1HD LYS 66 HD2 LYS 66 21.506 6.310 5.992 500 2HD LYS 66 HD3 LYS 66 21.618 4.804 5.069 501 1HE LYS 66 HE2 LYS 66 22.104 6.653 3.600 502 2HE LYS 66 HE3 LYS 66 20.612 5.867 3.109 503 1HZ LYS 66 HZ1 LYS 66 20.249 8.139 2.980 504 2HZ LYS 66 HZ2 LYS 66 19.438 7.711 4.330 505 3HZ LYS 66 HZ3 LYS 66 20.887 8.473 4.465 506 H GLN 67 H GLN 67 16.077 5.193 3.706 507 HA GLN 67 HA GLN 67 15.035 6.822 5.860 508 1HB GLN 67 HB2 GLN 67 13.796 6.342 3.118 509 2HB GLN 67 HB3 GLN 67 13.357 7.592 4.290 510 1HG GLN 67 HG2 GLN 67 15.789 8.417 4.139 511 2HG GLN 67 HG3 GLN 67 15.986 7.304 2.785 512 1HE2 GLN 67 HE22 GLN 67 16.269 8.712 1.039 513 2HE2 GLN 67 HE21 GLN 67 15.100 9.958 0.641 514 H GLY 68 H GLY 68 14.030 3.782 4.382 515 1HA GLY 68 HA2 GLY 68 13.280 2.237 6.261 516 2HA GLY 68 HA3 GLY 68 11.943 3.359 6.484 517 H CYS 69 H CYS 69 12.519 3.396 3.211 518 HA CYS 69 HA CYS 69 9.958 2.317 2.629 519 1HB CYS 69 HB2 CYS 69 12.272 2.954 0.794 520 2HB CYS 69 HB3 CYS 69 10.573 2.924 0.330 521 HG CYS 69 HG CYS 69 11.406 5.394 0.375 522 H ASP 70 H ASP 70 9.798 0.940 0.534 523 HA ASP 70 HA ASP 70 11.739 -1.259 0.279 524 1HB ASP 70 HB2 ASP 70 9.885 -2.233 1.587 525 2HB ASP 70 HB3 ASP 70 8.710 -1.588 0.434 526 H CYS 71 H CYS 71 11.946 -1.755 -2.035 527 HA CYS 71 HA CYS 71 10.459 0.056 -3.841 528 1HB CYS 71 HB2 CYS 71 13.513 0.036 -3.652 529 2HB CYS 71 HB3 CYS 71 12.499 1.057 -4.677 530 HG CYS 71 HG CYS 71 11.140 1.705 -2.234 531 H GLU 72 H GLU 72 11.023 -0.235 -6.160 532 HA GLU 72 HA GLU 72 12.214 -2.818 -6.937 533 1HB GLU 72 HB2 GLU 72 9.877 -3.368 -6.385 534 2HB GLU 72 HB3 GLU 72 9.302 -1.959 -7.274 535 1HG GLU 72 HG2 GLU 72 8.868 -3.846 -8.616 536 2HG GLU 72 HG3 GLU 72 10.172 -2.957 -9.385 537 H CYS 73 H CYS 73 13.314 -2.435 -8.884 538 HA CYS 73 HA CYS 73 13.010 0.117 -10.291 539 1HB CYS 73 HB2 CYS 73 14.577 -1.041 -11.941 540 2HB CYS 73 HB3 CYS 73 15.228 -0.696 -10.339 541 HG CYS 73 HG CYS 73 13.819 -3.512 -11.318 542 H LEU 74 H LEU 74 11.246 0.429 -11.530 543 HA LEU 74 HA LEU 74 9.561 -1.755 -12.467 544 1HB LEU 74 HB2 LEU 74 9.626 1.206 -13.203 545 2HB LEU 74 HB3 LEU 74 8.378 0.059 -13.681 546 HG LEU 74 HG LEU 74 8.988 0.989 -10.846 547 1HD1 LEU 74 HD11 LEU 74 6.761 1.995 -10.981 548 2HD1 LEU 74 HD12 LEU 74 7.791 2.600 -12.290 549 3HD1 LEU 74 HD13 LEU 74 6.549 1.379 -12.633 550 1HD2 LEU 74 HD21 LEU 74 6.926 -0.309 -10.206 551 2HD2 LEU 74 HD22 LEU 74 6.949 -1.067 -11.811 552 3HD2 LEU 74 HD23 LEU 74 8.285 -1.332 -10.663 553 H GLY 75 H GLY 75 12.280 0.099 -13.721 554 1HA GLY 75 HA2 GLY 75 13.154 -1.716 -15.596 555 2HA GLY 75 HA3 GLY 75 12.073 -0.626 -16.484 556 H GLY 76 H GLY 76 14.233 -0.052 -17.548 557 1HA GLY 76 HA2 GLY 76 14.961 2.539 -16.553 558 2HA GLY 76 HA3 GLY 76 16.311 1.401 -16.398 559 H GLY 77 H GLY 77 17.218 3.025 -17.976 560 1HA GLY 77 HA2 GLY 77 17.249 2.091 -20.675 561 2HA GLY 77 HA3 GLY 77 16.214 3.525 -20.525 562 H ARG 78 H ARG 78 17.833 4.666 -21.841 563 HA ARG 78 HA ARG 78 20.190 5.530 -20.250 564 1HB ARG 78 HB2 ARG 78 20.754 3.920 -22.138 565 2HB ARG 78 HB3 ARG 78 20.183 5.158 -23.271 566 1HG ARG 78 HG2 ARG 78 21.951 6.702 -22.477 567 2HG ARG 78 HG3 ARG 78 22.399 5.547 -21.208 568 1HD ARG 78 HD2 ARG 78 24.008 5.442 -23.001 569 2HD ARG 78 HD3 ARG 78 23.129 3.924 -22.861 570 HE ARG 78 HE ARG 78 22.485 6.050 -24.886 571 1HH1 ARG 78 HH21 ARG 78 22.964 2.581 -24.183 572 2HH1 ARG 78 HH22 ARG 78 22.505 2.084 -25.787 573 1HH2 ARG 78 HH11 ARG 78 21.987 5.381 -26.952 574 2HH2 ARG 78 HH12 ARG 78 21.981 3.677 -27.386 575 H ILE 79 H ILE 79 20.870 7.711 -20.751 576 HA ILE 79 HA ILE 79 18.690 9.422 -21.767 577 HB ILE 79 HB ILE 79 20.261 9.665 -19.168 578 1HG1 ILE 79 HG12 ILE 79 17.310 9.421 -19.887 579 2HG1 ILE 79 HG13 ILE 79 18.287 8.235 -19.034 580 1HG2 ILE 79 HG21 ILE 79 20.186 11.909 -20.237 581 2HG2 ILE 79 HG22 ILE 79 18.433 11.731 -20.504 582 3HG2 ILE 79 HG23 ILE 79 19.101 11.881 -18.869 583 1HD1 ILE 79 HD11 ILE 79 17.314 10.908 -17.954 584 2HD1 ILE 79 HD12 ILE 79 16.841 9.290 -17.446 585 3HD1 ILE 79 HD13 ILE 79 18.490 9.863 -17.116 586 H SER 80 H SER 80 19.400 11.306 -22.771 587 HA SER 80 HA SER 80 22.248 11.817 -23.191 588 1HB SER 80 HB2 SER 80 20.387 11.056 -25.493 589 2HB SER 80 HB3 SER 80 22.055 11.638 -25.652 590 HG SER 80 HG SER 80 22.043 9.621 -23.920 591 H HIS 81 H HIS 81 22.426 13.851 -24.616 592 HA HIS 81 HA HIS 81 20.194 15.751 -24.079 593 1HB HIS 81 HB2 HIS 81 21.709 16.096 -22.262 594 2HB HIS 81 HB3 HIS 81 23.117 15.838 -23.276 595 HD1 HIS 81 HD1 HIS 81 24.313 17.949 -24.118 596 HD2 HIS 81 HD2 HIS 81 20.314 18.591 -22.965 597 HE1 HIS 81 HE1 HIS 81 23.909 20.449 -24.295 598 H GLN 82 H GLN 82 20.094 17.485 -25.567 599 HA GLN 82 HA GLN 82 22.135 17.693 -27.656 600 1HB GLN 82 HB2 GLN 82 20.543 17.696 -29.484 601 2HB GLN 82 HB3 GLN 82 20.482 16.176 -28.615 602 1HG GLN 82 HG2 GLN 82 18.268 16.468 -28.885 603 2HG GLN 82 HG3 GLN 82 18.407 17.312 -27.355 604 1HE2 GLN 82 HE22 GLN 82 16.349 17.634 -29.472 605 2HE2 GLN 82 HE21 GLN 82 16.450 19.293 -30.004 606 H SER 83 H SER 83 22.339 19.784 -28.425 607 HA SER 83 HA SER 83 20.996 21.860 -26.804 608 1HB SER 83 HB2 SER 83 23.212 23.061 -27.328 609 2HB SER 83 HB3 SER 83 23.255 21.685 -26.220 610 HG SER 83 HG SER 83 24.921 21.596 -27.798 611 H GLN 84 H GLN 84 20.581 20.672 -29.817 612 HA GLN 84 HA GLN 84 20.697 23.068 -31.464 613 1HB GLN 84 HB2 GLN 84 19.142 20.456 -31.778 614 2HB GLN 84 HB3 GLN 84 19.264 21.730 -32.995 615 1HG GLN 84 HG2 GLN 84 21.735 21.423 -33.074 616 2HG GLN 84 HG3 GLN 84 21.607 20.108 -31.901 617 1HE2 GLN 84 HE22 GLN 84 21.010 21.051 -35.270 618 2HE2 GLN 84 HE21 GLN 84 20.625 19.450 -35.847 619 H ASP 85 H ASP 85 18.325 21.456 -29.352 620 HA ASP 85 HA ASP 85 16.716 23.947 -29.277 621 1HB ASP 85 HB2 ASP 85 15.750 22.346 -30.974 622 2HB ASP 85 HB3 ASP 85 15.513 21.179 -29.673 623 H LYS 86 H LYS 86 18.671 22.676 -27.514 624 HA LYS 86 HA LYS 86 19.023 21.844 -25.405 625 1HB LYS 86 HB2 LYS 86 17.334 24.331 -25.183 626 2HB LYS 86 HB3 LYS 86 17.802 23.501 -23.719 627 1HG LYS 86 HG2 LYS 86 19.739 24.557 -25.819 628 2HG LYS 86 HG3 LYS 86 19.346 25.328 -24.286 629 1HD LYS 86 HD2 LYS 86 20.866 22.717 -24.678 630 2HD LYS 86 HD3 LYS 86 21.483 24.247 -24.057 631 1HE LYS 86 HE2 LYS 86 20.041 24.052 -22.059 632 2HE LYS 86 HE3 LYS 86 19.323 22.569 -22.703 633 1HZ LYS 86 HZ1 LYS 86 20.901 21.944 -21.158 634 2HZ LYS 86 HZ2 LYS 86 21.533 21.553 -22.604 635 3HZ LYS 86 HZ3 LYS 86 22.110 22.878 -21.800 636 H LYS 87 H LYS 87 18.170 19.765 -25.646 637 HA LYS 87 HA LYS 87 15.814 19.305 -23.908 638 1HB LYS 87 HB2 LYS 87 16.100 18.528 -26.815 639 2HB LYS 87 HB3 LYS 87 15.296 17.396 -25.722 640 1HG LYS 87 HG2 LYS 87 13.648 18.992 -25.070 641 2HG LYS 87 HG3 LYS 87 14.487 20.312 -25.901 642 1HD LYS 87 HD2 LYS 87 14.017 19.329 -28.086 643 2HD LYS 87 HD3 LYS 87 13.336 17.880 -27.328 644 1HE LYS 87 HE2 LYS 87 11.516 19.355 -28.050 645 2HE LYS 87 HE3 LYS 87 11.550 19.221 -26.290 646 1HZ LYS 87 HZ1 LYS 87 12.400 21.514 -27.944 647 2HZ LYS 87 HZ2 LYS 87 11.272 21.460 -26.705 648 3HZ LYS 87 HZ3 LYS 87 12.872 21.376 -26.385 649 H ILE 88 H ILE 88 15.692 17.319 -23.004 650 HA ILE 88 HA ILE 88 18.129 15.596 -23.033 651 HB ILE 88 HB ILE 88 15.894 15.949 -20.987 652 1HG1 ILE 88 HG12 ILE 88 17.403 17.849 -20.934 653 2HG1 ILE 88 HG13 ILE 88 17.530 16.890 -19.472 654 1HG2 ILE 88 HG21 ILE 88 16.602 13.638 -20.879 655 2HG2 ILE 88 HG22 ILE 88 18.315 14.111 -20.894 656 3HG2 ILE 88 HG23 ILE 88 17.287 14.488 -19.494 657 1HD1 ILE 88 HD11 ILE 88 19.511 16.804 -21.787 658 2HD1 ILE 88 HD12 ILE 88 19.723 17.701 -20.277 659 3HD1 ILE 88 HD13 ILE 88 19.667 15.929 -20.245 660 H HIS 89 H HIS 89 17.664 13.290 -23.273 661 HA HIS 89 HA HIS 89 14.964 12.638 -24.331 662 1HB HIS 89 HB2 HIS 89 16.699 13.143 -26.150 663 2HB HIS 89 HB3 HIS 89 17.558 11.701 -25.604 664 HD1 HIS 89 HD1 HIS 89 14.038 12.672 -26.922 665 HD2 HIS 89 HD2 HIS 89 16.800 9.502 -26.852 666 HE1 HIS 89 HE1 HIS 89 13.029 10.800 -28.351 667 H VAL 90 H VAL 90 14.249 10.632 -23.624 668 HA VAL 90 HA VAL 90 16.119 8.943 -22.016 669 HB VAL 90 HB VAL 90 13.156 9.376 -21.468 670 1HG1 VAL 90 HG11 VAL 90 13.636 8.299 -19.351 671 2HG1 VAL 90 HG12 VAL 90 14.285 7.284 -20.646 672 3HG1 VAL 90 HG13 VAL 90 15.376 8.281 -19.682 673 1HG2 VAL 90 HG21 VAL 90 14.142 11.553 -21.061 674 2HG2 VAL 90 HG22 VAL 90 13.839 10.775 -19.511 675 3HG2 VAL 90 HG23 VAL 90 15.491 10.834 -20.160 676 H TYR 91 H TYR 91 16.258 6.863 -22.890 677 HA TYR 91 HA TYR 91 14.051 5.773 -24.497 678 1HB TYR 91 HB2 TYR 91 15.281 5.852 -26.583 679 2HB TYR 91 HB3 TYR 91 15.119 7.470 -25.974 680 HD1 TYR 91 HD1 TYR 91 17.377 5.138 -27.348 681 HD2 TYR 91 HD2 TYR 91 17.215 8.374 -24.499 682 HE1 TYR 91 HE1 TYR 91 19.809 5.420 -27.533 683 HE2 TYR 91 HE2 TYR 91 19.632 8.622 -24.619 684 HH TYR 91 HH TYR 91 21.549 8.065 -25.768 685 H GLY 92 H GLY 92 15.141 3.798 -25.837 686 1HA GLY 92 HA2 GLY 92 16.339 1.826 -25.813 687 2HA GLY 92 HA3 GLY 92 17.365 2.477 -24.529 688 H TYR 93 H TYR 93 17.237 0.318 -23.605 689 HA TYR 93 HA TYR 93 15.033 0.074 -21.699 690 1HB TYR 93 HB2 TYR 93 14.794 -2.344 -22.156 691 2HB TYR 93 HB3 TYR 93 14.242 -1.363 -23.499 692 HD1 TYR 93 HD1 TYR 93 16.655 -3.890 -22.379 693 HD2 TYR 93 HD2 TYR 93 15.549 -1.283 -25.637 694 HE1 TYR 93 HE1 TYR 93 18.064 -5.220 -23.915 695 HE2 TYR 93 HE2 TYR 93 16.948 -2.607 -27.180 696 HH TYR 93 HH TYR 93 18.335 -4.472 -27.422 697 H SER 94 H SER 94 15.733 -1.093 -19.784 698 HA SER 94 HA SER 94 18.539 -0.782 -19.339 699 1HB SER 94 HB2 SER 94 18.144 -1.725 -17.119 700 2HB SER 94 HB3 SER 94 16.997 -0.449 -17.508 701 HG SER 94 HG SER 94 15.436 -2.065 -17.942 702 H MET 95 H MET 95 20.156 -2.251 -19.058 703 HA MET 95 HA MET 95 20.275 -4.547 -20.620 704 1HB MET 95 HB2 MET 95 22.154 -3.164 -19.696 705 2HB MET 95 HB3 MET 95 21.893 -3.917 -18.116 706 1HG MET 95 HG2 MET 95 22.492 -6.114 -19.051 707 2HG MET 95 HG3 MET 95 22.592 -5.416 -20.668 708 1HE MET 95 HE1 MET 95 24.241 -5.805 -17.149 709 2HE MET 95 HE2 MET 95 25.653 -4.731 -17.240 710 3HE MET 95 HE3 MET 95 24.022 -4.038 -17.149 711 H ALA 96 H ALA 96 18.833 -4.288 -17.407 712 HA ALA 96 HA ALA 96 18.785 -7.268 -17.181 713 1HB ALA 96 HB1 ALA 96 19.245 -5.218 -14.982 714 2HB ALA 96 HB2 ALA 96 19.159 -6.978 -14.774 715 3HB ALA 96 HB3 ALA 96 20.483 -6.266 -15.714 716 H TYR 97 H TYR 97 16.742 -4.392 -17.100 717 HA TYR 97 HA TYR 97 14.586 -6.021 -15.842 718 1HB TYR 97 HB2 TYR 97 15.081 -3.078 -15.322 719 2HB TYR 97 HB3 TYR 97 13.939 -4.136 -14.519 720 HD1 TYR 97 HD1 TYR 97 17.176 -2.670 -14.323 721 HD2 TYR 97 HD2 TYR 97 14.977 -6.223 -13.249 722 HE1 TYR 97 HE1 TYR 97 18.863 -3.179 -12.587 723 HE2 TYR 97 HE2 TYR 97 16.664 -6.751 -11.514 724 HH TYR 97 HH TYR 97 19.531 -4.680 -10.907 725 H GLY 98 H GLY 98 15.421 -4.626 -18.713 726 1HA GLY 98 HA2 GLY 98 14.109 -4.309 -20.589 727 2HA GLY 98 HA3 GLY 98 12.655 -4.562 -19.618 728 HA PRO 99 HA PRO 99 13.185 -0.028 -20.665 729 1HB PRO 99 HB2 PRO 99 10.829 0.404 -21.998 730 2HB PRO 99 HB3 PRO 99 12.300 -0.223 -22.794 731 1HG PRO 99 HG2 PRO 99 9.914 -1.786 -21.780 732 2HG PRO 99 HG3 PRO 99 10.777 -1.963 -23.339 733 1HD PRO 99 HD2 PRO 99 11.250 -3.582 -21.172 734 2HD PRO 99 HD3 PRO 99 12.536 -3.148 -22.334 735 H ALA 100 H ALA 100 12.531 1.508 -19.287 736 HA ALA 100 HA ALA 100 10.500 1.014 -17.227 737 1HB ALA 100 HB1 ALA 100 12.506 2.352 -16.702 738 2HB ALA 100 HB2 ALA 100 12.185 3.393 -18.094 739 3HB ALA 100 HB3 ALA 100 11.114 3.427 -16.682 740 H GLN 101 H GLN 101 8.856 2.817 -16.907 741 HA GLN 101 HA GLN 101 7.354 3.462 -19.361 742 1HB GLN 101 HB2 GLN 101 6.920 4.004 -16.385 743 2HB GLN 101 HB3 GLN 101 5.904 4.706 -17.653 744 1HG GLN 101 HG2 GLN 101 5.205 2.540 -18.432 745 2HG GLN 101 HG3 GLN 101 6.305 1.714 -17.313 746 1HE2 GLN 101 HE22 GLN 101 3.387 3.835 -17.453 747 2HE2 GLN 101 HE21 GLN 101 2.772 3.366 -15.890 748 H HIS 102 H HIS 102 9.372 4.566 -20.219 749 HA HIS 102 HA HIS 102 10.614 6.722 -18.982 750 1HB HIS 102 HB2 HIS 102 10.173 6.305 -21.949 751 2HB HIS 102 HB3 HIS 102 11.405 7.343 -21.237 752 HD1 HIS 102 HD1 HIS 102 11.061 3.870 -22.485 753 HD2 HIS 102 HD2 HIS 102 13.054 5.837 -19.354 754 HE1 HIS 102 HE1 HIS 102 12.873 2.282 -21.640 755 H ALA 103 H ALA 103 7.417 6.763 -20.377 756 HA ALA 103 HA ALA 103 7.058 9.532 -20.823 757 1HB ALA 103 HB1 ALA 103 5.395 7.860 -21.451 758 2HB ALA 103 HB2 ALA 103 5.133 7.423 -19.743 759 3HB ALA 103 HB3 ALA 103 4.673 9.035 -20.339 760 H ILE 104 H ILE 104 7.180 7.631 -17.783 761 HA ILE 104 HA ILE 104 6.288 9.720 -16.012 762 HB ILE 104 HB ILE 104 8.120 7.318 -15.533 763 1HG1 ILE 104 HG12 ILE 104 5.808 6.701 -16.316 764 2HG1 ILE 104 HG13 ILE 104 6.239 6.097 -14.724 765 1HG2 ILE 104 HG21 ILE 104 8.520 8.806 -13.743 766 2HG2 ILE 104 HG22 ILE 104 6.801 9.219 -13.570 767 3HG2 ILE 104 HG23 ILE 104 7.385 7.603 -13.114 768 1HD1 ILE 104 HD11 ILE 104 4.885 7.738 -13.620 769 2HD1 ILE 104 HD12 ILE 104 4.599 8.637 -15.138 770 3HD1 ILE 104 HD13 ILE 104 3.908 7.005 -14.902 771 H SER 105 H SER 105 9.522 8.629 -17.205 772 HA SER 105 HA SER 105 11.062 10.408 -15.715 773 1HB SER 105 HB2 SER 105 11.614 9.408 -18.534 774 2HB SER 105 HB3 SER 105 12.780 9.938 -17.328 775 HG SER 105 HG SER 105 12.546 7.647 -17.333 776 H THR 106 H THR 106 9.732 10.862 -19.075 777 HA THR 106 HA THR 106 10.656 13.526 -19.321 778 HB THR 106 HB THR 106 8.623 13.760 -20.903 779 HG1 THR 106 HG1 THR 106 7.469 11.897 -20.066 780 1HG2 THR 106 HG21 THR 106 10.705 13.475 -21.870 781 2HG2 THR 106 HG22 THR 106 10.881 11.791 -21.308 782 3HG2 THR 106 HG23 THR 106 9.715 12.213 -22.588 783 H GLU 107 H GLU 107 7.523 12.370 -17.887 784 HA GLU 107 HA GLU 107 6.500 14.981 -17.488 785 1HB GLU 107 HB2 GLU 107 5.973 12.263 -16.168 786 2HB GLU 107 HB3 GLU 107 5.165 13.718 -15.602 787 1HG GLU 107 HG2 GLU 107 5.068 12.765 -18.495 788 2HG GLU 107 HG3 GLU 107 3.872 12.353 -17.273 789 H LYS 108 H LYS 108 8.403 12.872 -15.283 790 HA LYS 108 HA LYS 108 8.331 14.792 -13.134 791 1HB LYS 108 HB2 LYS 108 10.029 12.305 -13.632 792 2HB LYS 108 HB3 LYS 108 10.079 13.284 -12.156 793 1HG LYS 108 HG2 LYS 108 7.670 12.941 -11.803 794 2HG LYS 108 HG3 LYS 108 7.613 11.840 -13.184 795 1HD LYS 108 HD2 LYS 108 9.131 10.285 -12.118 796 2HD LYS 108 HD3 LYS 108 9.494 11.408 -10.812 797 1HE LYS 108 HE2 LYS 108 6.748 10.187 -11.344 798 2HE LYS 108 HE3 LYS 108 7.914 9.602 -10.146 799 1HZ LYS 108 HZ1 LYS 108 7.793 11.758 -9.046 800 2HZ LYS 108 HZ2 LYS 108 6.705 12.302 -10.127 801 3HZ LYS 108 HZ3 LYS 108 6.289 11.074 -9.128 802 H ILE 109 H ILE 109 10.855 14.029 -15.615 803 HA ILE 109 HA ILE 109 12.756 15.878 -14.508 804 HB ILE 109 HB ILE 109 12.460 14.617 -17.248 805 1HG1 ILE 109 HG12 ILE 109 14.572 14.122 -15.088 806 2HG1 ILE 109 HG13 ILE 109 13.078 13.187 -15.174 807 1HG2 ILE 109 HG21 ILE 109 13.860 16.862 -17.223 808 2HG2 ILE 109 HG22 ILE 109 15.055 15.881 -16.366 809 3HG2 ILE 109 HG23 ILE 109 14.541 15.413 -17.973 810 1HD1 ILE 109 HD11 ILE 109 14.869 11.950 -16.266 811 2HD1 ILE 109 HD12 ILE 109 13.664 12.431 -17.475 812 3HD1 ILE 109 HD13 ILE 109 15.211 13.296 -17.353 813 H LYS 110 H LYS 110 10.101 16.289 -17.023 814 HA LYS 110 HA LYS 110 10.755 19.046 -17.452 815 1HB LYS 110 HB2 LYS 110 8.123 17.539 -17.759 816 2HB LYS 110 HB3 LYS 110 8.273 19.276 -18.022 817 1HG LYS 110 HG2 LYS 110 10.129 18.804 -19.689 818 2HG LYS 110 HG3 LYS 110 9.711 17.091 -19.563 819 1HD LYS 110 HD2 LYS 110 8.648 17.973 -21.514 820 2HD LYS 110 HD3 LYS 110 7.379 17.663 -20.316 821 1HE LYS 110 HE2 LYS 110 7.279 20.039 -19.733 822 2HE LYS 110 HE3 LYS 110 8.691 20.404 -20.737 823 1HZ LYS 110 HZ1 LYS 110 6.210 19.327 -21.925 824 2HZ LYS 110 HZ2 LYS 110 6.440 20.923 -21.688 825 3HZ LYS 110 HZ3 LYS 110 7.452 20.132 -22.674 826 H ALA 111 H ALA 111 8.657 17.515 -14.918 827 HA ALA 111 HA ALA 111 7.821 19.993 -13.804 828 1HB ALA 111 HB1 ALA 111 8.251 17.325 -12.388 829 2HB ALA 111 HB2 ALA 111 7.289 18.690 -11.796 830 3HB ALA 111 HB3 ALA 111 6.777 17.819 -13.255 831 H LYS 112 H LYS 112 10.715 17.985 -13.110 832 HA LYS 112 HA LYS 112 11.702 19.629 -10.969 833 1HB LYS 112 HB2 LYS 112 12.186 17.221 -11.294 834 2HB LYS 112 HB3 LYS 112 13.095 17.591 -12.739 835 1HG LYS 112 HG2 LYS 112 14.719 17.303 -11.050 836 2HG LYS 112 HG3 LYS 112 14.621 19.042 -11.261 837 1HD LYS 112 HD2 LYS 112 13.186 19.233 -9.240 838 2HD LYS 112 HD3 LYS 112 13.155 17.474 -9.094 839 1HE LYS 112 HE2 LYS 112 14.730 18.281 -7.497 840 2HE LYS 112 HE3 LYS 112 15.632 17.460 -8.770 841 1HZ LYS 112 HZ1 LYS 112 15.320 20.403 -8.513 842 2HZ LYS 112 HZ2 LYS 112 16.654 19.558 -8.126 843 3HZ LYS 112 HZ3 LYS 112 16.187 19.653 -9.683 844 H TYR 113 H TYR 113 12.094 19.833 -14.476 845 HA TYR 113 HA TYR 113 13.371 21.032 -15.836 846 1HB TYR 113 HB2 TYR 113 12.954 23.217 -13.776 847 2HB TYR 113 HB3 TYR 113 13.667 23.465 -15.360 848 HD1 TYR 113 HD1 TYR 113 12.323 22.768 -17.455 849 HD2 TYR 113 HD2 TYR 113 10.582 23.428 -13.558 850 HE1 TYR 113 HE1 TYR 113 10.122 23.169 -18.512 851 HE2 TYR 113 HE2 TYR 113 8.379 23.839 -14.604 852 HH TYR 113 HH TYR 113 7.174 23.948 -16.598 853 HA PRO 114 HA PRO 114 17.463 20.527 -13.624 854 1HB PRO 114 HB2 PRO 114 18.286 18.126 -14.601 855 2HB PRO 114 HB3 PRO 114 17.186 18.211 -13.188 856 1HG PRO 114 HG2 PRO 114 16.476 17.717 -16.069 857 2HG PRO 114 HG3 PRO 114 15.926 16.850 -14.589 858 1HD PRO 114 HD2 PRO 114 14.493 18.877 -15.846 859 2HD PRO 114 HD3 PRO 114 14.370 18.485 -14.107 860 H ASP 115 H ASP 115 15.937 20.357 -16.731 861 HA ASP 115 HA ASP 115 17.921 22.023 -17.975 862 1HB ASP 115 HB2 ASP 115 18.490 19.520 -18.561 863 2HB ASP 115 HB3 ASP 115 17.028 19.599 -19.548 864 H TYR 116 H TYR 116 16.652 22.307 -20.446 865 HA TYR 116 HA TYR 116 14.393 23.843 -19.521 866 1HB TYR 116 HB2 TYR 116 15.606 23.368 -22.263 867 2HB TYR 116 HB3 TYR 116 14.222 24.411 -21.992 868 HD1 TYR 116 HD1 TYR 116 14.441 26.619 -21.058 869 HD2 TYR 116 HD2 TYR 116 17.845 23.978 -21.218 870 HE1 TYR 116 HE1 TYR 116 15.930 28.514 -20.490 871 HE2 TYR 116 HE2 TYR 116 19.347 25.864 -20.643 872 HH TYR 116 HH TYR 116 19.492 28.137 -20.153 873 H GLU 117 H GLU 117 14.638 20.887 -21.632 874 HA GLU 117 HA GLU 117 11.901 20.197 -20.986 875 1HB GLU 117 HB2 GLU 117 11.535 21.880 -22.736 876 2HB GLU 117 HB3 GLU 117 12.580 20.996 -23.857 877 1HG GLU 117 HG2 GLU 117 10.982 19.239 -24.081 878 2HG GLU 117 HG3 GLU 117 10.143 19.705 -22.593 879 H VAL 118 H VAL 118 11.330 18.108 -22.380 880 HA VAL 118 HA VAL 118 13.686 16.345 -22.518 881 HB VAL 118 HB VAL 118 11.226 15.610 -20.910 882 1HG1 VAL 118 HG11 VAL 118 14.121 14.660 -20.677 883 2HG1 VAL 118 HG12 VAL 118 12.728 14.024 -19.794 884 3HG1 VAL 118 HG13 VAL 118 12.850 13.790 -21.535 885 1HG2 VAL 118 HG21 VAL 118 12.248 16.199 -18.838 886 2HG2 VAL 118 HG22 VAL 118 13.682 16.893 -19.668 887 3HG2 VAL 118 HG23 VAL 118 12.086 17.651 -19.773 888 H THR 119 H THR 119 13.172 14.375 -23.682 889 HA THR 119 HA THR 119 10.482 14.039 -24.852 890 HB THR 119 HB THR 119 11.708 13.426 -27.036 891 HG1 THR 119 HG1 THR 119 13.727 14.937 -25.727 892 1HG2 THR 119 HG21 THR 119 10.296 15.417 -26.855 893 2HG2 THR 119 HG22 THR 119 11.678 16.366 -26.264 894 3HG2 THR 119 HG23 THR 119 11.695 15.691 -27.910 895 H TRP 120 H TRP 120 10.448 11.724 -25.920 896 HA TRP 120 HA TRP 120 12.472 9.954 -24.839 897 1HB TRP 120 HB2 TRP 120 11.032 8.430 -23.708 898 2HB TRP 120 HB3 TRP 120 10.756 10.001 -23.005 899 HD1 TRP 120 HD1 TRP 120 8.407 11.217 -24.269 900 HE1 TRP 120 HE1 TRP 120 6.092 10.146 -24.347 901 HE3 TRP 120 HE3 TRP 120 9.810 6.305 -24.121 902 HZ2 TRP 120 HZ2 TRP 120 4.974 7.467 -24.296 903 HZ3 TRP 120 HZ3 TRP 120 8.101 4.515 -24.064 904 HH2 TRP 120 HH2 TRP 120 5.682 5.081 -24.159 905 H ALA 121 H ALA 121 12.079 7.672 -25.578 906 HA ALA 121 HA ALA 121 10.308 7.373 -27.869 907 1HB ALA 121 HB1 ALA 121 13.316 6.782 -28.047 908 2HB ALA 121 HB2 ALA 121 12.107 6.317 -29.260 909 3HB ALA 121 HB3 ALA 121 12.447 8.036 -28.964 910 H ASN 122 H ASN 122 9.644 5.208 -28.036 911 HA ASN 122 HA ASN 122 10.042 3.642 -25.588 912 1HB ASN 122 HB2 ASN 122 7.783 4.187 -26.570 913 2HB ASN 122 HB3 ASN 122 8.185 3.157 -27.946 914 1HD2 ASN 122 HD22 ASN 122 6.640 1.490 -27.581 915 2HD2 ASN 122 HD21 ASN 122 6.630 0.503 -26.144 916 H ASP 123 H ASP 123 12.285 3.789 -27.531 917 HA ASP 123 HA ASP 123 12.895 0.985 -27.840 918 1HB ASP 123 HB2 ASP 123 11.546 1.752 -29.982 919 2HB ASP 123 HB3 ASP 123 13.022 2.660 -30.350 920 H GLY 124 H GLY 124 15.137 1.007 -29.073 921 1HA GLY 124 HA2 GLY 124 16.987 2.792 -29.552 922 2HA GLY 124 HA3 GLY 124 16.908 3.047 -27.806 923 H TYR 125 H TYR 125 19.304 2.299 -28.687 924 HA TYR 125 HA TYR 125 19.724 -0.231 -27.354 925 1HB TYR 125 HB2 TYR 125 19.417 -0.963 -29.724 926 2HB TYR 125 HB3 TYR 125 20.630 0.202 -30.241 927 HD1 TYR 125 HD1 TYR 125 22.901 -0.484 -30.389 928 HD2 TYR 125 HD2 TYR 125 20.155 -2.738 -27.941 929 HE1 TYR 125 HE1 TYR 125 24.650 -2.192 -30.014 930 HE2 TYR 125 HE2 TYR 125 21.898 -4.458 -27.557 931 HH TYR 125 HH TYR 125 25.195 -4.209 -28.981 Start of MODEL 5 1 1H MET 1 H1 MET 1 10.302 7.584 17.649 2 2H MET 1 H2 MET 1 10.832 7.480 19.197 3 3H MET 1 H3 MET 1 10.046 8.821 18.687 4 HA MET 1 HA MET 1 12.367 9.257 18.895 5 1HB MET 1 HB2 MET 1 13.156 6.958 18.491 6 2HB MET 1 HB3 MET 1 12.743 7.094 16.779 7 1HG MET 1 HG2 MET 1 14.362 8.967 16.550 8 2HG MET 1 HG3 MET 1 14.738 8.848 18.275 9 1HE MET 1 HE1 MET 1 16.921 8.882 15.963 10 2HE MET 1 HE2 MET 1 17.309 8.768 17.696 11 3HE MET 1 HE3 MET 1 18.030 7.621 16.545 12 H ALA 2 H ALA 2 11.588 8.362 15.443 13 HA ALA 2 HA ALA 2 10.832 11.118 14.824 14 1HB ALA 2 HB1 ALA 2 13.318 11.185 14.658 15 2HB ALA 2 HB2 ALA 2 13.285 9.770 13.579 16 3HB ALA 2 HB3 ALA 2 12.568 11.309 13.058 17 H VAL 3 H VAL 3 10.144 11.201 12.490 18 HA VAL 3 HA VAL 3 9.398 8.622 11.284 19 HB VAL 3 HB VAL 3 7.393 10.867 11.797 20 1HG1 VAL 3 HG11 VAL 3 7.078 8.115 10.507 21 2HG1 VAL 3 HG12 VAL 3 5.719 9.142 11.008 22 3HG1 VAL 3 HG13 VAL 3 6.802 9.702 9.749 23 1HG2 VAL 3 HG21 VAL 3 6.211 9.234 13.268 24 2HG2 VAL 3 HG22 VAL 3 7.591 8.125 13.119 25 3HG2 VAL 3 HG23 VAL 3 7.774 9.706 13.917 26 H ALA 4 H ALA 4 8.802 8.994 8.966 27 HA ALA 4 HA ALA 4 9.611 11.525 7.747 28 1HB ALA 4 HB1 ALA 4 11.047 10.265 6.079 29 2HB ALA 4 HB2 ALA 4 11.730 10.301 7.713 30 3HB ALA 4 HB3 ALA 4 10.933 8.838 7.123 31 H ASP 5 H ASP 5 9.081 11.146 5.203 32 HA ASP 5 HA ASP 5 6.752 9.403 4.798 33 1HB ASP 5 HB2 ASP 5 5.749 11.368 5.892 34 2HB ASP 5 HB3 ASP 5 6.588 12.449 4.774 35 H LEU 6 H LEU 6 6.160 9.359 2.519 36 HA LEU 6 HA LEU 6 8.271 9.234 0.713 37 1HB LEU 6 HB2 LEU 6 5.282 9.647 0.275 38 2HB LEU 6 HB3 LEU 6 6.418 9.349 -1.022 39 HG LEU 6 HG LEU 6 5.786 7.405 1.228 40 1HD1 LEU 6 HD11 LEU 6 4.787 6.083 -0.677 41 2HD1 LEU 6 HD12 LEU 6 3.938 7.592 -0.321 42 3HD1 LEU 6 HD13 LEU 6 5.006 7.491 -1.725 43 1HD2 LEU 6 HD21 LEU 6 8.080 7.015 0.560 44 2HD2 LEU 6 HD22 LEU 6 7.081 5.769 -0.176 45 3HD2 LEU 6 HD23 LEU 6 7.655 7.122 -1.166 46 H ALA 7 H ALA 7 6.229 12.072 1.472 47 HA ALA 7 HA ALA 7 6.886 13.557 -0.849 48 1HB ALA 7 HB1 ALA 7 4.960 14.069 0.614 49 2HB ALA 7 HB2 ALA 7 6.077 14.555 1.915 50 3HB ALA 7 HB3 ALA 7 6.007 15.485 0.406 51 H LEU 8 H LEU 8 8.772 12.897 2.037 52 HA LEU 8 HA LEU 8 10.460 15.281 1.832 53 1HB LEU 8 HB2 LEU 8 10.926 12.681 3.349 54 2HB LEU 8 HB3 LEU 8 11.808 14.189 3.556 55 HG LEU 8 HG LEU 8 8.884 13.696 4.258 56 1HD1 LEU 8 HD11 LEU 8 11.288 14.310 6.027 57 2HD1 LEU 8 HD12 LEU 8 9.626 13.971 6.561 58 3HD1 LEU 8 HD13 LEU 8 10.588 12.701 5.783 59 1HD2 LEU 8 HD21 LEU 8 9.086 16.020 3.515 60 2HD2 LEU 8 HD22 LEU 8 8.933 15.973 5.273 61 3HD2 LEU 8 HD23 LEU 8 10.526 16.254 4.533 62 H ILE 9 H ILE 9 10.306 12.213 0.221 63 HA ILE 9 HA ILE 9 13.104 11.728 -0.079 64 HB ILE 9 HB ILE 9 10.701 10.689 -1.640 65 1HG1 ILE 9 HG12 ILE 9 12.226 9.566 0.761 66 2HG1 ILE 9 HG13 ILE 9 10.570 10.202 0.794 67 1HG2 ILE 9 HG21 ILE 9 12.172 8.833 -2.327 68 2HG2 ILE 9 HG22 ILE 9 12.793 10.362 -2.898 69 3HG2 ILE 9 HG23 ILE 9 13.534 9.606 -1.479 70 1HD1 ILE 9 HD11 ILE 9 11.533 7.645 -0.496 71 2HD1 ILE 9 HD12 ILE 9 10.386 7.853 0.828 72 3HD1 ILE 9 HD13 ILE 9 9.928 8.353 -0.818 73 HA PRO 10 HA PRO 10 13.826 14.793 -3.410 74 1HB PRO 10 HB2 PRO 10 16.038 12.850 -4.078 75 2HB PRO 10 HB3 PRO 10 16.107 14.632 -3.949 76 1HG PRO 10 HG2 PRO 10 17.080 13.060 -1.957 77 2HG PRO 10 HG3 PRO 10 16.136 14.536 -1.570 78 1HD PRO 10 HD2 PRO 10 15.190 11.661 -1.598 79 2HD PRO 10 HD3 PRO 10 14.872 12.952 -0.398 80 H ASP 11 H ASP 11 12.929 14.765 -5.505 81 HA ASP 11 HA ASP 11 11.741 12.186 -6.247 82 1HB ASP 11 HB2 ASP 11 10.470 14.329 -5.956 83 2HB ASP 11 HB3 ASP 11 11.244 14.924 -7.436 84 H VAL 12 H VAL 12 13.894 14.596 -7.821 85 HA VAL 12 HA VAL 12 14.606 12.582 -9.884 86 HB VAL 12 HB VAL 12 13.922 15.499 -10.470 87 1HG1 VAL 12 HG11 VAL 12 14.692 13.224 -12.358 88 2HG1 VAL 12 HG12 VAL 12 14.184 14.855 -12.845 89 3HG1 VAL 12 HG13 VAL 12 15.691 14.639 -11.959 90 1HG2 VAL 12 HG21 VAL 12 11.830 14.286 -10.122 91 2HG2 VAL 12 HG22 VAL 12 12.058 14.617 -11.835 92 3HG2 VAL 12 HG23 VAL 12 12.373 12.982 -11.198 93 H ASP 13 H ASP 13 16.800 12.541 -10.182 94 HA ASP 13 HA ASP 13 18.403 14.915 -9.967 95 1HB ASP 13 HB2 ASP 13 18.460 14.293 -7.571 96 2HB ASP 13 HB3 ASP 13 18.947 12.650 -7.996 97 H ILE 14 H ILE 14 19.709 14.670 -11.736 98 HA ILE 14 HA ILE 14 20.544 11.991 -12.605 99 HB ILE 14 HB ILE 14 19.787 12.509 -14.927 100 1HG1 ILE 14 HG12 ILE 14 17.851 14.524 -13.710 101 2HG1 ILE 14 HG13 ILE 14 19.349 14.991 -14.530 102 1HG2 ILE 14 HG21 ILE 14 17.571 11.592 -14.641 103 2HG2 ILE 14 HG22 ILE 14 18.628 10.901 -13.412 104 3HG2 ILE 14 HG23 ILE 14 17.483 12.182 -12.968 105 1HD1 ILE 14 HD11 ILE 14 18.557 13.857 -16.601 106 2HD1 ILE 14 HD12 ILE 14 17.024 13.479 -15.781 107 3HD1 ILE 14 HD13 ILE 14 17.482 15.162 -16.065 108 H ASP 15 H ASP 15 22.207 12.069 -14.227 109 HA ASP 15 HA ASP 15 24.252 13.874 -13.555 110 1HB ASP 15 HB2 ASP 15 24.126 11.437 -14.781 111 2HB ASP 15 HB3 ASP 15 24.453 12.449 -16.168 112 H SER 16 H SER 16 25.626 14.937 -15.328 113 HA SER 16 HA SER 16 24.055 16.530 -17.276 114 1HB SER 16 HB2 SER 16 26.068 17.706 -15.319 115 2HB SER 16 HB3 SER 16 25.123 18.583 -16.532 116 HG SER 16 HG SER 16 24.233 18.742 -14.423 117 H ASP 17 H ASP 17 26.698 14.459 -16.729 118 HA ASP 17 HA ASP 17 28.835 15.662 -18.033 119 1HB ASP 17 HB2 ASP 17 29.036 13.582 -16.798 120 2HB ASP 17 HB3 ASP 17 28.012 12.737 -17.966 121 H GLY 18 H GLY 18 26.185 13.767 -19.557 122 1HA GLY 18 HA2 GLY 18 25.823 15.208 -21.823 123 2HA GLY 18 HA3 GLY 18 27.214 14.210 -22.270 124 H VAL 19 H VAL 19 26.864 11.778 -21.357 125 HA VAL 19 HA VAL 19 24.139 10.828 -22.017 126 HB VAL 19 HB VAL 19 26.719 9.836 -23.315 127 1HG1 VAL 19 HG11 VAL 19 25.203 7.961 -22.921 128 2HG1 VAL 19 HG12 VAL 19 23.844 8.866 -23.618 129 3HG1 VAL 19 HG13 VAL 19 25.203 8.358 -24.643 130 1HG2 VAL 19 HG21 VAL 19 26.025 11.901 -24.409 131 2HG2 VAL 19 HG22 VAL 19 25.646 10.538 -25.460 132 3HG2 VAL 19 HG23 VAL 19 24.351 11.316 -24.527 133 H PHE 20 H PHE 20 23.550 9.151 -20.678 134 HA PHE 20 HA PHE 20 25.446 7.554 -19.153 135 1HB PHE 20 HB2 PHE 20 24.706 8.426 -16.952 136 2HB PHE 20 HB3 PHE 20 25.583 9.631 -17.859 137 HD1 PHE 20 HD1 PHE 20 22.432 8.819 -16.239 138 HD2 PHE 20 HD2 PHE 20 24.312 11.533 -19.012 139 HE1 PHE 20 HE1 PHE 20 20.588 10.440 -15.906 140 HE2 PHE 20 HE2 PHE 20 22.460 13.146 -18.686 141 HZ PHE 20 HZ PHE 20 20.613 12.619 -17.121 142 H LYS 21 H LYS 21 24.043 6.310 -17.386 143 HA LYS 21 HA LYS 21 21.540 5.462 -18.772 144 1HB LYS 21 HB2 LYS 21 23.355 3.811 -16.963 145 2HB LYS 21 HB3 LYS 21 21.873 3.273 -17.760 146 1HG LYS 21 HG2 LYS 21 23.018 3.909 -19.991 147 2HG LYS 21 HG3 LYS 21 24.515 4.044 -19.050 148 1HD LYS 21 HD2 LYS 21 24.075 1.627 -18.268 149 2HD LYS 21 HD3 LYS 21 22.751 1.597 -19.433 150 1HE LYS 21 HE2 LYS 21 24.499 0.611 -20.610 151 2HE LYS 21 HE3 LYS 21 24.450 2.269 -21.230 152 1HZ LYS 21 HZ1 LYS 21 26.708 1.460 -20.714 153 2HZ LYS 21 HZ2 LYS 21 26.347 2.788 -19.837 154 3HZ LYS 21 HZ3 LYS 21 26.315 1.304 -19.129 155 H TYR 22 H TYR 22 19.777 4.752 -17.350 156 HA TYR 22 HA TYR 22 19.799 5.956 -14.659 157 1HB TYR 22 HB2 TYR 22 18.505 7.730 -15.157 158 2HB TYR 22 HB3 TYR 22 19.008 7.500 -16.808 159 HD1 TYR 22 HD1 TYR 22 17.522 6.021 -18.301 160 HD2 TYR 22 HD2 TYR 22 16.267 7.532 -14.469 161 HE1 TYR 22 HE1 TYR 22 15.221 5.254 -18.762 162 HE2 TYR 22 HE2 TYR 22 13.945 6.793 -14.928 163 HH TYR 22 HH TYR 22 13.145 4.879 -17.826 164 H VAL 23 H VAL 23 17.562 5.556 -13.615 165 HA VAL 23 HA VAL 23 16.216 3.124 -14.527 166 HB VAL 23 HB VAL 23 18.179 2.464 -13.080 167 1HG1 VAL 23 HG11 VAL 23 18.050 2.759 -10.650 168 2HG1 VAL 23 HG12 VAL 23 18.148 4.333 -11.465 169 3HG1 VAL 23 HG13 VAL 23 16.607 3.772 -10.824 170 1HG2 VAL 23 HG21 VAL 23 16.311 0.948 -13.360 171 2HG2 VAL 23 HG22 VAL 23 16.987 0.831 -11.735 172 3HG2 VAL 23 HG23 VAL 23 15.454 1.691 -11.991 173 H LEU 24 H LEU 24 14.114 2.895 -13.529 174 HA LEU 24 HA LEU 24 13.038 5.362 -12.240 175 1HB LEU 24 HB2 LEU 24 12.190 4.958 -14.570 176 2HB LEU 24 HB3 LEU 24 11.664 3.355 -14.072 177 HG LEU 24 HG LEU 24 10.063 4.469 -12.409 178 1HD1 LEU 24 HD11 LEU 24 9.560 6.843 -12.745 179 2HD1 LEU 24 HD12 LEU 24 11.216 6.648 -12.190 180 3HD1 LEU 24 HD13 LEU 24 10.891 6.985 -13.910 181 1HD2 LEU 24 HD21 LEU 24 9.290 3.664 -14.585 182 2HD2 LEU 24 HD22 LEU 24 8.443 5.134 -14.102 183 3HD2 LEU 24 HD23 LEU 24 9.723 5.224 -15.333 184 H ILE 25 H ILE 25 12.629 4.825 -10.042 185 HA ILE 25 HA ILE 25 11.912 1.985 -9.535 186 HB ILE 25 HB ILE 25 13.420 1.607 -8.109 187 1HG1 ILE 25 HG12 ILE 25 13.456 4.331 -6.801 188 2HG1 ILE 25 HG13 ILE 25 12.336 3.045 -6.354 189 1HG2 ILE 25 HG21 ILE 25 14.846 2.644 -9.835 190 2HG2 ILE 25 HG22 ILE 25 14.883 4.148 -8.871 191 3HG2 ILE 25 HG23 ILE 25 15.607 2.656 -8.249 192 1HD1 ILE 25 HD11 ILE 25 14.127 2.996 -4.800 193 2HD1 ILE 25 HD12 ILE 25 14.229 1.549 -5.823 194 3HD1 ILE 25 HD13 ILE 25 15.345 2.918 -6.081 195 H ARG 26 H ARG 26 10.285 1.522 -8.270 196 HA ARG 26 HA ARG 26 8.447 3.675 -7.414 197 1HB ARG 26 HB2 ARG 26 7.586 1.697 -8.586 198 2HB ARG 26 HB3 ARG 26 8.265 0.625 -7.371 199 1HG ARG 26 HG2 ARG 26 6.724 1.269 -5.714 200 2HG ARG 26 HG3 ARG 26 6.308 2.783 -6.519 201 1HD ARG 26 HD2 ARG 26 5.628 0.046 -7.669 202 2HD ARG 26 HD3 ARG 26 4.527 0.995 -6.644 203 HE ARG 26 HE ARG 26 5.304 2.787 -8.567 204 1HH1 ARG 26 HH22 ARG 26 3.661 -0.369 -8.720 205 2HH1 ARG 26 HH21 ARG 26 2.848 -0.019 -10.199 206 1HH2 ARG 26 HH11 ARG 26 4.279 3.251 -10.501 207 2HH2 ARG 26 HH12 ARG 26 3.191 2.110 -11.236 208 H VAL 27 H VAL 27 7.948 3.950 -5.234 209 HA VAL 27 HA VAL 27 9.559 2.578 -3.156 210 HB VAL 27 HB VAL 27 8.915 5.560 -3.317 211 1HG1 VAL 27 HG11 VAL 27 9.286 4.683 -1.026 212 2HG1 VAL 27 HG12 VAL 27 10.876 4.066 -1.535 213 3HG1 VAL 27 HG13 VAL 27 10.554 5.805 -1.523 214 1HG2 VAL 27 HG21 VAL 27 11.562 4.234 -4.033 215 2HG2 VAL 27 HG22 VAL 27 10.513 5.181 -5.114 216 3HG2 VAL 27 HG23 VAL 27 11.326 5.978 -3.774 217 H HIS 28 H HIS 28 8.274 2.154 -1.314 218 HA HIS 28 HA HIS 28 5.353 2.811 -1.487 219 1HB HIS 28 HB2 HIS 28 6.775 0.504 -0.112 220 2HB HIS 28 HB3 HIS 28 5.035 0.740 -0.251 221 HD1 HIS 28 HD1 HIS 28 4.235 0.828 -3.083 222 HD2 HIS 28 HD2 HIS 28 7.782 -1.101 -1.891 223 HE1 HIS 28 HE1 HIS 28 4.822 -0.813 -4.934 224 H SER 29 H SER 29 4.265 3.318 0.480 225 HA SER 29 HA SER 29 5.676 5.059 2.214 226 1HB SER 29 HB2 SER 29 2.891 3.918 2.582 227 2HB SER 29 HB3 SER 29 3.568 5.349 3.364 228 HG SER 29 HG SER 29 3.146 4.989 0.566 229 H ALA 30 H ALA 30 7.367 3.588 2.976 230 HA ALA 30 HA ALA 30 6.571 2.647 5.665 231 1HB ALA 30 HB1 ALA 30 8.088 0.729 5.512 232 2HB ALA 30 HB2 ALA 30 6.845 0.655 4.256 233 3HB ALA 30 HB3 ALA 30 8.495 1.153 3.838 234 HA PRO 31 HA PRO 31 10.833 5.151 5.523 235 1HB PRO 31 HB2 PRO 31 9.020 7.502 5.996 236 2HB PRO 31 HB3 PRO 31 10.686 7.473 5.331 237 1HG PRO 31 HG2 PRO 31 8.492 7.706 3.725 238 2HG PRO 31 HG3 PRO 31 9.935 6.787 3.232 239 1HD PRO 31 HD2 PRO 31 7.283 5.784 4.160 240 2HD PRO 31 HD3 PRO 31 8.470 5.031 3.054 241 H ARG 32 H ARG 32 11.740 5.298 7.480 242 HA ARG 32 HA ARG 32 12.070 4.673 9.604 243 1HB ARG 32 HB2 ARG 32 10.042 6.892 9.985 244 2HB ARG 32 HB3 ARG 32 11.093 6.301 11.266 245 1HG ARG 32 HG2 ARG 32 12.167 7.534 8.685 246 2HG ARG 32 HG3 ARG 32 11.811 8.432 10.151 247 1HD ARG 32 HD2 ARG 32 14.113 8.059 10.235 248 2HD ARG 32 HD3 ARG 32 13.403 6.955 11.408 249 HE ARG 32 HE ARG 32 14.080 6.023 8.639 250 1HH1 ARG 32 HH21 ARG 32 14.628 5.727 12.142 251 2HH1 ARG 32 HH22 ARG 32 15.718 4.400 12.002 252 1HH2 ARG 32 HH11 ARG 32 15.718 4.364 8.457 253 2HH2 ARG 32 HH12 ARG 32 16.269 3.571 9.880 254 H SER 33 H SER 33 9.848 3.111 8.288 255 HA SER 33 HA SER 33 8.209 1.686 8.745 256 1HB SER 33 HB2 SER 33 9.540 1.373 11.461 257 2HB SER 33 HB3 SER 33 8.526 0.190 10.619 258 HG SER 33 HG SER 33 10.765 -0.235 10.365 259 H GLY 34 H GLY 34 7.645 4.498 9.302 260 1HA GLY 34 HA2 GLY 34 5.380 4.229 11.223 261 2HA GLY 34 HA3 GLY 34 6.638 5.443 11.491 262 H ALA 35 H ALA 35 6.573 5.510 8.223 263 HA ALA 35 HA ALA 35 4.974 7.778 7.873 264 1HB ALA 35 HB1 ALA 35 6.637 6.982 6.237 265 2HB ALA 35 HB2 ALA 35 5.610 5.567 5.873 266 3HB ALA 35 HB3 ALA 35 5.047 7.200 5.472 267 HA PRO 36 HA PRO 36 0.856 5.970 8.009 268 1HB PRO 36 HB2 PRO 36 -0.636 7.904 6.772 269 2HB PRO 36 HB3 PRO 36 0.098 8.132 8.387 270 1HG PRO 36 HG2 PRO 36 1.185 9.041 5.703 271 2HG PRO 36 HG3 PRO 36 1.015 9.999 7.210 272 1HD PRO 36 HD2 PRO 36 3.371 8.810 6.493 273 2HD PRO 36 HD3 PRO 36 2.867 8.930 8.206 274 H ALA 37 H ALA 37 -0.812 5.162 6.615 275 HA ALA 37 HA ALA 37 -1.697 4.043 4.899 276 1HB ALA 37 HB1 ALA 37 -1.885 6.405 4.071 277 2HB ALA 37 HB2 ALA 37 -0.418 6.130 3.100 278 3HB ALA 37 HB3 ALA 37 -1.890 5.186 2.793 279 H ALA 38 H ALA 38 -1.034 3.450 2.335 280 HA ALA 38 HA ALA 38 1.665 2.298 2.192 281 1HB ALA 38 HB1 ALA 38 0.260 0.468 3.111 282 2HB ALA 38 HB2 ALA 38 -0.853 0.647 1.730 283 3HB ALA 38 HB3 ALA 38 0.830 0.126 1.467 284 H GLU 39 H GLU 39 0.703 4.643 1.098 285 HA GLU 39 HA GLU 39 -0.051 4.193 -1.669 286 1HB GLU 39 HB2 GLU 39 1.048 6.648 -0.214 287 2HB GLU 39 HB3 GLU 39 0.542 6.627 -1.908 288 1HG GLU 39 HG2 GLU 39 -1.750 5.920 -1.190 289 2HG GLU 39 HG3 GLU 39 -1.251 6.086 0.494 290 H SER 40 H SER 40 1.498 5.055 -3.426 291 HA SER 40 HA SER 40 4.321 4.450 -2.846 292 1HB SER 40 HB2 SER 40 2.901 3.246 -5.241 293 2HB SER 40 HB3 SER 40 4.523 2.889 -4.643 294 HG SER 40 HG SER 40 2.038 2.255 -3.404 295 H LYS 41 H LYS 41 5.744 5.207 -4.574 296 HA LYS 41 HA LYS 41 4.679 7.019 -6.601 297 1HB LYS 41 HB2 LYS 41 5.971 8.978 -5.822 298 2HB LYS 41 HB3 LYS 41 4.705 8.519 -4.716 299 1HG LYS 41 HG2 LYS 41 6.361 9.000 -3.238 300 2HG LYS 41 HG3 LYS 41 6.529 7.264 -3.368 301 1HD LYS 41 HD2 LYS 41 8.691 7.978 -3.305 302 2HD LYS 41 HD3 LYS 41 8.478 7.751 -5.028 303 1HE LYS 41 HE2 LYS 41 8.272 10.422 -3.531 304 2HE LYS 41 HE3 LYS 41 9.726 9.818 -4.318 305 1HZ LYS 41 HZ1 LYS 41 7.215 10.604 -5.671 306 2HZ LYS 41 HZ2 LYS 41 8.693 11.276 -5.863 307 3HZ LYS 41 HZ3 LYS 41 8.446 9.802 -6.436 308 H GLU 42 H GLU 42 6.509 7.822 -8.008 309 HA GLU 42 HA GLU 42 8.677 5.774 -8.113 310 1HB GLU 42 HB2 GLU 42 7.148 7.343 -10.212 311 2HB GLU 42 HB3 GLU 42 8.815 6.882 -10.520 312 1HG GLU 42 HG2 GLU 42 7.503 5.222 -11.512 313 2HG GLU 42 HG3 GLU 42 8.259 4.499 -10.100 314 H ILE 43 H ILE 43 10.827 6.520 -8.586 315 HA ILE 43 HA ILE 43 11.300 9.444 -8.609 316 HB ILE 43 HB ILE 43 13.297 9.144 -7.209 317 1HG1 ILE 43 HG12 ILE 43 12.241 6.366 -6.546 318 2HG1 ILE 43 HG13 ILE 43 13.644 6.690 -7.567 319 1HG2 ILE 43 HG21 ILE 43 12.148 9.205 -5.093 320 2HG2 ILE 43 HG22 ILE 43 11.081 9.901 -6.315 321 3HG2 ILE 43 HG23 ILE 43 10.805 8.233 -5.744 322 1HD1 ILE 43 HD11 ILE 43 14.365 6.082 -5.339 323 2HD1 ILE 43 HD12 ILE 43 14.799 7.773 -5.661 324 3HD1 ILE 43 HD13 ILE 43 13.415 7.380 -4.611 325 H VAL 44 H VAL 44 13.276 10.013 -9.662 326 HA VAL 44 HA VAL 44 14.113 8.016 -11.732 327 HB VAL 44 HB VAL 44 13.783 11.049 -11.895 328 1HG1 VAL 44 HG11 VAL 44 14.132 10.796 -14.306 329 2HG1 VAL 44 HG12 VAL 44 15.546 10.202 -13.430 330 3HG1 VAL 44 HG13 VAL 44 14.375 9.051 -14.116 331 1HG2 VAL 44 HG21 VAL 44 11.565 9.976 -11.815 332 2HG2 VAL 44 HG22 VAL 44 11.900 10.607 -13.428 333 3HG2 VAL 44 HG23 VAL 44 12.051 8.868 -13.118 334 H ARG 45 H ARG 45 16.272 7.515 -11.629 335 HA ARG 45 HA ARG 45 18.197 9.580 -10.717 336 1HB ARG 45 HB2 ARG 45 18.124 6.667 -9.780 337 2HB ARG 45 HB3 ARG 45 19.530 7.705 -9.618 338 1HG ARG 45 HG2 ARG 45 16.860 8.061 -8.229 339 2HG ARG 45 HG3 ARG 45 18.373 7.555 -7.510 340 1HD ARG 45 HD2 ARG 45 18.906 9.639 -6.999 341 2HD ARG 45 HD3 ARG 45 18.986 10.036 -8.711 342 HE ARG 45 HE ARG 45 16.755 10.739 -8.716 343 1HH1 ARG 45 HH11 ARG 45 17.795 9.952 -5.398 344 2HH1 ARG 45 HH12 ARG 45 16.273 10.357 -4.690 345 1HH2 ARG 45 HH21 ARG 45 14.747 11.240 -7.769 346 2HH2 ARG 45 HH22 ARG 45 14.549 11.176 -6.050 347 H GLY 46 H GLY 46 20.212 9.433 -11.812 348 1HA GLY 46 HA2 GLY 46 21.039 7.096 -13.190 349 2HA GLY 46 HA3 GLY 46 20.396 8.264 -14.360 350 H TYR 47 H TYR 47 23.214 7.255 -13.648 351 HA TYR 47 HA TYR 47 24.561 9.873 -13.523 352 1HB TYR 47 HB2 TYR 47 25.154 7.675 -11.521 353 2HB TYR 47 HB3 TYR 47 25.948 9.236 -11.652 354 HD1 TYR 47 HD1 TYR 47 24.682 11.351 -11.031 355 HD2 TYR 47 HD2 TYR 47 23.127 7.401 -10.321 356 HE1 TYR 47 HE1 TYR 47 23.103 12.283 -9.364 357 HE2 TYR 47 HE2 TYR 47 21.552 8.312 -8.627 358 HH TYR 47 HH TYR 47 21.424 11.821 -7.840 359 H LYS 48 H LYS 48 26.719 9.734 -14.324 360 HA LYS 48 HA LYS 48 27.322 7.603 -16.121 361 1HB LYS 48 HB2 LYS 48 28.240 10.052 -15.936 362 2HB LYS 48 HB3 LYS 48 29.449 9.370 -14.857 363 1HG LYS 48 HG2 LYS 48 28.925 8.525 -17.751 364 2HG LYS 48 HG3 LYS 48 30.162 9.663 -17.224 365 1HD LYS 48 HD2 LYS 48 31.208 7.797 -15.860 366 2HD LYS 48 HD3 LYS 48 30.076 6.679 -16.661 367 1HE LYS 48 HE2 LYS 48 30.925 7.311 -18.861 368 2HE LYS 48 HE3 LYS 48 32.035 8.475 -18.126 369 1HZ LYS 48 HZ1 LYS 48 33.131 6.387 -18.651 370 2HZ LYS 48 HZ2 LYS 48 33.160 6.630 -17.042 371 3HZ LYS 48 HZ3 LYS 48 32.127 5.530 -17.686 372 H TRP 49 H TRP 49 28.233 8.109 -12.647 373 HA TRP 49 HA TRP 49 30.069 5.977 -12.569 374 1HB TRP 49 HB2 TRP 49 29.709 5.960 -10.114 375 2HB TRP 49 HB3 TRP 49 30.177 7.484 -10.822 376 HD1 TRP 49 HD1 TRP 49 28.928 9.521 -10.050 377 HE1 TRP 49 HE1 TRP 49 26.869 10.023 -8.639 378 HE3 TRP 49 HE3 TRP 49 27.037 4.768 -9.641 379 HZ2 TRP 49 HZ2 TRP 49 24.664 8.545 -7.447 380 HZ3 TRP 49 HZ3 TRP 49 24.900 4.379 -8.495 381 HH2 TRP 49 HH2 TRP 49 23.683 6.258 -7.398 382 H ALA 50 H ALA 50 26.516 5.798 -12.501 383 HA ALA 50 HA ALA 50 26.662 2.891 -11.998 384 1HB ALA 50 HB1 ALA 50 24.834 3.974 -10.918 385 2HB ALA 50 HB2 ALA 50 24.290 4.726 -12.450 386 3HB ALA 50 HB3 ALA 50 24.234 2.955 -12.228 387 H GLU 51 H GLU 51 28.140 2.747 -13.885 388 HA GLU 51 HA GLU 51 27.221 3.188 -16.540 389 1HB GLU 51 HB2 GLU 51 29.263 1.164 -15.513 390 2HB GLU 51 HB3 GLU 51 29.032 1.636 -17.207 391 1HG GLU 51 HG2 GLU 51 29.457 4.033 -16.492 392 2HG GLU 51 HG3 GLU 51 29.986 3.395 -14.923 393 H TYR 52 H TYR 52 25.971 1.020 -14.276 394 HA TYR 52 HA TYR 52 24.472 -0.411 -16.337 395 1HB TYR 52 HB2 TYR 52 24.610 -2.445 -14.693 396 2HB TYR 52 HB3 TYR 52 25.798 -2.204 -15.963 397 HD1 TYR 52 HD1 TYR 52 25.342 -2.669 -12.416 398 HD2 TYR 52 HD2 TYR 52 28.003 -1.081 -15.397 399 HE1 TYR 52 HE1 TYR 52 27.205 -2.798 -10.792 400 HE2 TYR 52 HE2 TYR 52 29.896 -1.183 -13.777 401 HH TYR 52 HH TYR 52 29.473 -2.402 -10.415 402 H HIS 53 H HIS 53 22.345 -0.537 -15.740 403 HA HIS 53 HA HIS 53 21.311 1.255 -13.896 404 1HB HIS 53 HB2 HIS 53 19.734 -1.172 -14.762 405 2HB HIS 53 HB3 HIS 53 19.168 0.477 -14.516 406 HD1 HIS 53 HD1 HIS 53 19.381 2.102 -16.703 407 HD2 HIS 53 HD2 HIS 53 21.068 -1.749 -17.026 408 HE1 HIS 53 HE1 HIS 53 20.085 1.800 -19.146 409 H ALA 54 H ALA 54 22.102 -2.173 -13.403 410 HA ALA 54 HA ALA 54 20.661 -2.591 -11.005 411 1HB ALA 54 HB1 ALA 54 22.258 -4.426 -10.607 412 2HB ALA 54 HB2 ALA 54 21.700 -4.420 -12.290 413 3HB ALA 54 HB3 ALA 54 23.320 -3.800 -11.882 414 H ASP 55 H ASP 55 23.702 -0.810 -11.588 415 HA ASP 55 HA ASP 55 24.577 -0.859 -8.854 416 1HB ASP 55 HB2 ASP 55 25.964 -0.201 -10.921 417 2HB ASP 55 HB3 ASP 55 25.141 1.333 -10.878 418 H ILE 56 H ILE 56 22.608 1.499 -10.752 419 HA ILE 56 HA ILE 56 22.243 3.229 -8.469 420 HB ILE 56 HB ILE 56 20.111 3.891 -10.003 421 1HG1 ILE 56 HG12 ILE 56 22.033 2.680 -11.991 422 2HG1 ILE 56 HG13 ILE 56 20.281 2.512 -11.839 423 1HG2 ILE 56 HG21 ILE 56 21.743 5.337 -9.001 424 2HG2 ILE 56 HG22 ILE 56 22.905 4.971 -10.295 425 3HG2 ILE 56 HG23 ILE 56 21.377 5.818 -10.648 426 1HD1 ILE 56 HD11 ILE 56 21.848 4.925 -12.825 427 2HD1 ILE 56 HD12 ILE 56 20.821 3.838 -13.771 428 3HD1 ILE 56 HD13 ILE 56 20.086 4.915 -12.562 429 H TYR 57 H TYR 57 20.246 0.523 -9.891 430 HA TYR 57 HA TYR 57 18.084 1.030 -8.112 431 1HB TYR 57 HB2 TYR 57 17.782 -0.543 -9.930 432 2HB TYR 57 HB3 TYR 57 19.032 -1.608 -9.281 433 HD1 TYR 57 HD1 TYR 57 18.255 -3.500 -8.110 434 HD2 TYR 57 HD2 TYR 57 15.927 0.136 -7.969 435 HE1 TYR 57 HE1 TYR 57 16.640 -4.597 -6.601 436 HE2 TYR 57 HE2 TYR 57 14.329 -0.945 -6.425 437 HH TYR 57 HH TYR 57 14.697 -4.346 -5.334 438 H ASP 58 H ASP 58 21.047 -1.042 -7.632 439 HA ASP 58 HA ASP 58 20.326 -1.920 -5.041 440 1HB ASP 58 HB2 ASP 58 22.105 -2.979 -6.320 441 2HB ASP 58 HB3 ASP 58 23.070 -1.498 -6.279 442 H LYS 59 H LYS 59 22.363 0.897 -6.030 443 HA LYS 59 HA LYS 59 22.960 1.787 -3.398 444 1HB LYS 59 HB2 LYS 59 24.217 2.432 -5.331 445 2HB LYS 59 HB3 LYS 59 22.833 3.243 -6.067 446 1HG LYS 59 HG2 LYS 59 23.000 5.108 -4.738 447 2HG LYS 59 HG3 LYS 59 23.652 4.217 -3.341 448 1HD LYS 59 HD2 LYS 59 25.818 4.026 -4.334 449 2HD LYS 59 HD3 LYS 59 25.238 4.637 -5.891 450 1HE LYS 59 HE2 LYS 59 24.673 6.825 -4.770 451 2HE LYS 59 HE3 LYS 59 25.407 6.211 -3.283 452 1HZ LYS 59 HZ1 LYS 59 26.961 7.551 -4.551 453 2HZ LYS 59 HZ2 LYS 59 27.509 6.019 -4.493 454 3HZ LYS 59 HZ3 LYS 59 26.816 6.592 -5.864 455 H VAL 60 H VAL 60 20.330 2.816 -5.649 456 HA VAL 60 HA VAL 60 19.353 4.797 -3.816 457 HB VAL 60 HB VAL 60 18.082 3.613 -6.300 458 1HG1 VAL 60 HG11 VAL 60 16.692 5.675 -6.251 459 2HG1 VAL 60 HG12 VAL 60 16.419 4.711 -4.785 460 3HG1 VAL 60 HG13 VAL 60 17.437 6.142 -4.698 461 1HG2 VAL 60 HG21 VAL 60 19.539 6.274 -5.964 462 2HG2 VAL 60 HG22 VAL 60 20.347 4.837 -6.581 463 3HG2 VAL 60 HG23 VAL 60 18.982 5.477 -7.471 464 H SER 61 H SER 61 18.226 1.422 -4.640 465 HA SER 61 HA SER 61 16.001 1.526 -2.868 466 1HB SER 61 HB2 SER 61 16.430 -0.167 -4.682 467 2HB SER 61 HB3 SER 61 17.632 -0.930 -3.620 468 HG SER 61 HG SER 61 15.461 -1.817 -3.548 469 H GLY 62 H GLY 62 19.494 0.764 -2.333 470 1HA GLY 62 HA2 GLY 62 19.366 -0.004 0.371 471 2HA GLY 62 HA3 GLY 62 20.719 0.826 -0.425 472 H ASP 63 H ASP 63 19.775 3.342 -1.023 473 HA ASP 63 HA ASP 63 19.754 4.657 1.500 474 1HB ASP 63 HB2 ASP 63 20.527 5.701 -0.634 475 2HB ASP 63 HB3 ASP 63 18.851 5.783 -1.187 476 H MET 64 H MET 64 17.024 4.099 -0.856 477 HA MET 64 HA MET 64 15.023 5.304 0.730 478 1HB MET 64 HB2 MET 64 14.813 2.843 -1.058 479 2HB MET 64 HB3 MET 64 13.460 3.810 -0.483 480 1HG MET 64 HG2 MET 64 15.566 4.836 -2.388 481 2HG MET 64 HG3 MET 64 13.948 4.292 -2.791 482 1HE MET 64 HE1 MET 64 16.100 7.235 -2.315 483 2HE MET 64 HE2 MET 64 15.243 8.352 -1.231 484 3HE MET 64 HE3 MET 64 15.952 6.869 -0.579 485 H GLN 65 H GLN 65 16.170 1.854 0.845 486 HA GLN 65 HA GLN 65 14.365 1.101 2.908 487 1HB GLN 65 HB2 GLN 65 17.017 0.033 1.878 488 2HB GLN 65 HB3 GLN 65 16.169 -0.746 3.217 489 1HG GLN 65 HG2 GLN 65 14.245 -1.231 1.821 490 2HG GLN 65 HG3 GLN 65 14.902 -0.301 0.479 491 1HE2 GLN 65 HE21 GLN 65 15.908 -1.579 -1.107 492 2HE2 GLN 65 HE22 GLN 65 16.640 -3.132 -0.786 493 H LYS 66 H LYS 66 17.605 2.616 3.015 494 HA LYS 66 HA LYS 66 17.952 2.453 5.859 495 1HB LYS 66 HB2 LYS 66 19.800 2.847 4.453 496 2HB LYS 66 HB3 LYS 66 19.077 4.206 3.654 497 1HG LYS 66 HG2 LYS 66 19.908 4.256 6.563 498 2HG LYS 66 HG3 LYS 66 20.967 4.659 5.209 499 1HD LYS 66 HD2 LYS 66 18.448 6.176 5.970 500 2HD LYS 66 HD3 LYS 66 20.093 6.683 6.272 501 1HE LYS 66 HE2 LYS 66 18.909 6.253 3.487 502 2HE LYS 66 HE3 LYS 66 18.968 7.803 4.317 503 1HZ LYS 66 HZ1 LYS 66 21.336 7.764 4.266 504 2HZ LYS 66 HZ2 LYS 66 21.397 6.237 3.673 505 3HZ LYS 66 HZ3 LYS 66 20.791 7.444 2.748 506 H GLN 67 H GLN 67 16.317 4.916 3.743 507 HA GLN 67 HA GLN 67 15.447 6.550 5.957 508 1HB GLN 67 HB2 GLN 67 14.088 6.171 3.253 509 2HB GLN 67 HB3 GLN 67 13.748 7.422 4.451 510 1HG GLN 67 HG2 GLN 67 16.199 8.142 4.251 511 2HG GLN 67 HG3 GLN 67 16.331 7.020 2.899 512 1HE2 GLN 67 HE22 GLN 67 16.688 8.434 1.175 513 2HE2 GLN 67 HE21 GLN 67 15.565 9.720 0.771 514 H GLY 68 H GLY 68 14.091 3.669 4.424 515 1HA GLY 68 HA2 GLY 68 13.391 2.125 6.383 516 2HA GLY 68 HA3 GLY 68 12.106 3.310 6.622 517 H CYS 69 H CYS 69 12.605 3.326 3.352 518 HA CYS 69 HA CYS 69 9.991 2.393 2.832 519 1HB CYS 69 HB2 CYS 69 12.277 2.879 0.912 520 2HB CYS 69 HB3 CYS 69 10.561 2.997 0.533 521 HG CYS 69 HG CYS 69 11.595 5.389 0.554 522 H ASP 70 H ASP 70 9.712 1.081 0.715 523 HA ASP 70 HA ASP 70 11.454 -1.267 0.403 524 1HB ASP 70 HB2 ASP 70 9.530 -2.101 1.712 525 2HB ASP 70 HB3 ASP 70 8.408 -1.333 0.581 526 H CYS 71 H CYS 71 11.519 -1.783 -1.926 527 HA CYS 71 HA CYS 71 10.232 0.191 -3.706 528 1HB CYS 71 HB2 CYS 71 13.267 -0.153 -3.499 529 2HB CYS 71 HB3 CYS 71 12.392 0.938 -4.579 530 HG CYS 71 HG CYS 71 11.096 1.751 -2.100 531 H GLU 72 H GLU 72 10.902 -0.156 -6.034 532 HA GLU 72 HA GLU 72 12.261 -2.614 -6.723 533 1HB GLU 72 HB2 GLU 72 10.445 -3.451 -8.221 534 2HB GLU 72 HB3 GLU 72 10.142 -3.681 -6.502 535 1HG GLU 72 HG2 GLU 72 8.571 -1.751 -6.525 536 2HG GLU 72 HG3 GLU 72 8.888 -1.525 -8.247 537 H CYS 73 H CYS 73 13.250 -2.363 -8.750 538 HA CYS 73 HA CYS 73 13.005 0.193 -10.142 539 1HB CYS 73 HB2 CYS 73 14.475 -1.108 -11.842 540 2HB CYS 73 HB3 CYS 73 15.187 -0.673 -10.294 541 HG CYS 73 HG CYS 73 15.887 -3.124 -11.192 542 H LEU 74 H LEU 74 11.337 0.600 -11.502 543 HA LEU 74 HA LEU 74 9.530 -1.542 -12.377 544 1HB LEU 74 HB2 LEU 74 9.663 1.422 -13.090 545 2HB LEU 74 HB3 LEU 74 8.385 0.305 -13.557 546 HG LEU 74 HG LEU 74 9.056 1.238 -10.738 547 1HD1 LEU 74 HD11 LEU 74 6.565 1.576 -12.462 548 2HD1 LEU 74 HD12 LEU 74 6.814 2.217 -10.825 549 3HD1 LEU 74 HD13 LEU 74 7.801 2.817 -12.169 550 1HD2 LEU 74 HD21 LEU 74 7.033 -0.085 -10.024 551 2HD2 LEU 74 HD22 LEU 74 7.027 -0.864 -11.618 552 3HD2 LEU 74 HD23 LEU 74 8.397 -1.090 -10.502 553 H GLY 75 H GLY 75 12.310 0.219 -13.605 554 1HA GLY 75 HA2 GLY 75 13.169 -1.602 -15.451 555 2HA GLY 75 HA3 GLY 75 12.093 -0.537 -16.371 556 H GLY 76 H GLY 76 14.256 0.027 -17.430 557 1HA GLY 76 HA2 GLY 76 14.998 2.623 -16.412 558 2HA GLY 76 HA3 GLY 76 16.346 1.477 -16.319 559 H GLY 77 H GLY 77 17.241 3.104 -17.874 560 1HA GLY 77 HA2 GLY 77 17.215 2.264 -20.588 561 2HA GLY 77 HA3 GLY 77 16.148 3.666 -20.387 562 H ARG 78 H ARG 78 17.619 4.968 -21.618 563 HA ARG 78 HA ARG 78 20.161 5.716 -20.269 564 1HB ARG 78 HB2 ARG 78 20.360 3.966 -22.076 565 2HB ARG 78 HB3 ARG 78 19.724 5.139 -23.232 566 1HG ARG 78 HG2 ARG 78 21.710 6.542 -22.955 567 2HG ARG 78 HG3 ARG 78 22.278 5.528 -21.599 568 1HD ARG 78 HD2 ARG 78 22.430 3.574 -23.056 569 2HD ARG 78 HD3 ARG 78 21.784 4.512 -24.414 570 HE ARG 78 HE ARG 78 24.210 5.625 -23.252 571 1HH1 ARG 78 HH11 ARG 78 22.903 3.335 -25.685 572 2HH1 ARG 78 HH12 ARG 78 24.363 3.321 -26.615 573 1HH2 ARG 78 HH21 ARG 78 26.136 5.579 -24.533 574 2HH2 ARG 78 HH22 ARG 78 26.210 4.630 -25.965 575 H ILE 79 H ILE 79 20.875 7.885 -20.850 576 HA ILE 79 HA ILE 79 18.704 9.647 -21.822 577 HB ILE 79 HB ILE 79 20.175 9.798 -19.153 578 1HG1 ILE 79 HG12 ILE 79 17.269 9.394 -19.947 579 2HG1 ILE 79 HG13 ILE 79 18.297 8.299 -19.035 580 1HG2 ILE 79 HG21 ILE 79 18.274 11.835 -20.408 581 2HG2 ILE 79 HG22 ILE 79 18.963 11.946 -18.776 582 3HG2 ILE 79 HG23 ILE 79 20.021 12.077 -20.158 583 1HD1 ILE 79 HD11 ILE 79 16.705 9.287 -17.533 584 2HD1 ILE 79 HD12 ILE 79 18.305 9.954 -17.139 585 3HD1 ILE 79 HD13 ILE 79 17.109 10.920 -18.043 586 H SER 80 H SER 80 19.437 11.474 -22.851 587 HA SER 80 HA SER 80 22.354 11.947 -23.082 588 1HB SER 80 HB2 SER 80 20.459 11.466 -25.426 589 2HB SER 80 HB3 SER 80 22.153 11.968 -25.548 590 HG SER 80 HG SER 80 21.897 9.723 -25.838 591 H HIS 81 H HIS 81 22.888 13.978 -23.867 592 HA HIS 81 HA HIS 81 21.134 15.817 -25.111 593 1HB HIS 81 HB2 HIS 81 21.275 17.653 -23.515 594 2HB HIS 81 HB3 HIS 81 20.308 16.342 -22.890 595 HD1 HIS 81 HD1 HIS 81 23.350 14.909 -21.888 596 HD2 HIS 81 HD2 HIS 81 21.328 18.471 -20.900 597 HE1 HIS 81 HE1 HIS 81 24.179 15.594 -19.584 598 H GLN 82 H GLN 82 22.495 17.655 -25.925 599 HA GLN 82 HA GLN 82 25.428 17.260 -25.657 600 1HB GLN 82 HB2 GLN 82 23.869 17.014 -28.279 601 2HB GLN 82 HB3 GLN 82 25.628 17.101 -28.140 602 1HG GLN 82 HG2 GLN 82 25.595 14.988 -26.796 603 2HG GLN 82 HG3 GLN 82 23.866 14.834 -27.127 604 1HE2 GLN 82 HE22 GLN 82 26.462 13.290 -28.010 605 2HE2 GLN 82 HE21 GLN 82 26.219 13.093 -29.726 606 H SER 83 H SER 83 26.599 19.033 -26.948 607 HA SER 83 HA SER 83 25.513 21.616 -26.624 608 1HB SER 83 HB2 SER 83 27.585 20.752 -28.678 609 2HB SER 83 HB3 SER 83 27.408 22.346 -27.921 610 HG SER 83 HG SER 83 29.077 21.101 -26.956 611 H GLN 84 H GLN 84 25.173 19.276 -29.272 612 HA GLN 84 HA GLN 84 24.117 20.991 -31.266 613 1HB GLN 84 HB2 GLN 84 24.968 18.664 -31.586 614 2HB GLN 84 HB3 GLN 84 23.548 18.037 -30.738 615 1HG GLN 84 HG2 GLN 84 22.079 18.977 -32.503 616 2HG GLN 84 HG3 GLN 84 23.486 19.665 -33.318 617 1HE2 GLN 84 HE22 GLN 84 21.678 16.689 -32.660 618 2HE2 GLN 84 HE21 GLN 84 22.576 15.671 -33.754 619 H ASP 85 H ASP 85 22.562 19.345 -28.473 620 HA ASP 85 HA ASP 85 20.314 21.138 -28.566 621 1HB ASP 85 HB2 ASP 85 19.423 19.569 -30.204 622 2HB ASP 85 HB3 ASP 85 19.824 18.193 -29.167 623 H LYS 86 H LYS 86 20.381 21.669 -26.470 624 HA LYS 86 HA LYS 86 21.362 19.814 -24.471 625 1HB LYS 86 HB2 LYS 86 21.209 21.645 -22.933 626 2HB LYS 86 HB3 LYS 86 21.945 22.203 -24.435 627 1HG LYS 86 HG2 LYS 86 19.743 23.209 -25.112 628 2HG LYS 86 HG3 LYS 86 19.047 22.640 -23.591 629 1HD LYS 86 HD2 LYS 86 20.931 23.998 -22.418 630 2HD LYS 86 HD3 LYS 86 21.229 24.716 -24.003 631 1HE LYS 86 HE2 LYS 86 19.785 26.208 -22.824 632 2HE LYS 86 HE3 LYS 86 18.793 25.427 -24.063 633 1HZ LYS 86 HZ1 LYS 86 17.942 23.933 -22.315 634 2HZ LYS 86 HZ2 LYS 86 18.918 24.555 -21.225 635 3HZ LYS 86 HZ3 LYS 86 17.715 25.507 -21.854 636 H LYS 87 H LYS 87 18.200 20.360 -25.769 637 HA LYS 87 HA LYS 87 16.593 19.868 -23.422 638 1HB LYS 87 HB2 LYS 87 15.627 20.687 -25.543 639 2HB LYS 87 HB3 LYS 87 16.210 19.258 -26.371 640 1HG LYS 87 HG2 LYS 87 14.611 18.091 -24.434 641 2HG LYS 87 HG3 LYS 87 13.806 19.631 -24.693 642 1HD LYS 87 HD2 LYS 87 12.765 18.296 -26.251 643 2HD LYS 87 HD3 LYS 87 14.004 19.027 -27.255 644 1HE LYS 87 HE2 LYS 87 14.039 16.239 -25.987 645 2HE LYS 87 HE3 LYS 87 13.737 16.613 -27.678 646 1HZ LYS 87 HZ1 LYS 87 16.092 17.480 -27.759 647 2HZ LYS 87 HZ2 LYS 87 16.319 16.864 -26.256 648 3HZ LYS 87 HZ3 LYS 87 15.939 15.872 -27.492 649 H ILE 88 H ILE 88 16.338 17.970 -22.327 650 HA ILE 88 HA ILE 88 18.254 15.875 -22.803 651 HB ILE 88 HB ILE 88 15.931 16.099 -20.852 652 1HG1 ILE 88 HG12 ILE 88 18.899 16.723 -20.481 653 2HG1 ILE 88 HG13 ILE 88 17.629 17.930 -20.653 654 1HG2 ILE 88 HG21 ILE 88 16.653 13.734 -21.031 655 2HG2 ILE 88 HG22 ILE 88 18.343 14.235 -20.773 656 3HG2 ILE 88 HG23 ILE 88 17.124 14.395 -19.489 657 1HD1 ILE 88 HD11 ILE 88 18.001 16.060 -18.308 658 2HD1 ILE 88 HD12 ILE 88 18.140 17.819 -18.359 659 3HD1 ILE 88 HD13 ILE 88 16.547 17.063 -18.563 660 H HIS 89 H HIS 89 17.716 13.566 -23.180 661 HA HIS 89 HA HIS 89 15.030 13.030 -24.258 662 1HB HIS 89 HB2 HIS 89 16.599 13.584 -26.181 663 2HB HIS 89 HB3 HIS 89 17.566 12.183 -25.714 664 HD1 HIS 89 HD1 HIS 89 13.912 12.965 -26.830 665 HD2 HIS 89 HD2 HIS 89 16.804 9.894 -26.788 666 HE1 HIS 89 HE1 HIS 89 12.954 11.049 -28.206 667 H VAL 90 H VAL 90 14.444 10.822 -23.952 668 HA VAL 90 HA VAL 90 16.273 9.165 -22.276 669 HB VAL 90 HB VAL 90 13.263 9.518 -21.921 670 1HG1 VAL 90 HG11 VAL 90 14.118 7.340 -21.156 671 2HG1 VAL 90 HG12 VAL 90 15.346 8.143 -20.163 672 3HG1 VAL 90 HG13 VAL 90 13.623 8.339 -19.782 673 1HG2 VAL 90 HG21 VAL 90 15.505 10.788 -20.293 674 2HG2 VAL 90 HG22 VAL 90 14.265 11.617 -21.251 675 3HG2 VAL 90 HG23 VAL 90 13.797 10.728 -19.805 676 H TYR 91 H TYR 91 16.362 6.989 -22.972 677 HA TYR 91 HA TYR 91 14.375 5.939 -24.837 678 1HB TYR 91 HB2 TYR 91 15.758 5.846 -26.756 679 2HB TYR 91 HB3 TYR 91 15.773 7.502 -26.235 680 HD1 TYR 91 HD1 TYR 91 17.856 8.109 -24.529 681 HD2 TYR 91 HD2 TYR 91 17.773 4.906 -27.416 682 HE1 TYR 91 HE1 TYR 91 20.311 8.066 -24.540 683 HE2 TYR 91 HE2 TYR 91 20.249 4.915 -27.501 684 HH TYR 91 HH TYR 91 22.196 5.949 -26.759 685 H GLY 92 H GLY 92 15.626 3.817 -25.902 686 1HA GLY 92 HA2 GLY 92 16.673 1.831 -25.535 687 2HA GLY 92 HA3 GLY 92 17.602 2.601 -24.244 688 H TYR 93 H TYR 93 17.421 0.559 -23.149 689 HA TYR 93 HA TYR 93 15.065 0.274 -21.455 690 1HB TYR 93 HB2 TYR 93 14.898 -2.153 -21.982 691 2HB TYR 93 HB3 TYR 93 14.413 -1.137 -23.325 692 HD1 TYR 93 HD1 TYR 93 16.821 -3.645 -22.133 693 HD2 TYR 93 HD2 TYR 93 15.846 -0.965 -25.374 694 HE1 TYR 93 HE1 TYR 93 18.379 -4.870 -23.604 695 HE2 TYR 93 HE2 TYR 93 17.402 -2.184 -26.854 696 HH TYR 93 HH TYR 93 19.304 -5.028 -25.743 697 H SER 94 H SER 94 15.640 -0.976 -19.518 698 HA SER 94 HA SER 94 18.406 -0.785 -18.849 699 1HB SER 94 HB2 SER 94 16.918 -0.560 -17.058 700 2HB SER 94 HB3 SER 94 16.065 -2.068 -17.440 701 HG SER 94 HG SER 94 17.801 -1.964 -15.679 702 H MET 95 H MET 95 20.002 -2.167 -19.081 703 HA MET 95 HA MET 95 19.978 -4.574 -20.532 704 1HB MET 95 HB2 MET 95 21.950 -3.135 -19.946 705 2HB MET 95 HB3 MET 95 21.843 -3.708 -18.278 706 1HG MET 95 HG2 MET 95 22.312 -6.015 -19.028 707 2HG MET 95 HG3 MET 95 22.316 -5.477 -20.708 708 1HE MET 95 HE1 MET 95 24.172 -5.544 -17.268 709 2HE MET 95 HE2 MET 95 25.610 -4.544 -17.561 710 3HE MET 95 HE3 MET 95 24.012 -3.781 -17.446 711 H ALA 96 H ALA 96 19.045 -3.985 -17.161 712 HA ALA 96 HA ALA 96 19.110 -6.919 -16.585 713 1HB ALA 96 HB1 ALA 96 20.635 -5.535 -15.225 714 2HB ALA 96 HB2 ALA 96 19.261 -4.528 -14.703 715 3HB ALA 96 HB3 ALA 96 19.338 -6.239 -14.239 716 H TYR 97 H TYR 97 17.020 -4.068 -16.688 717 HA TYR 97 HA TYR 97 14.787 -5.671 -15.518 718 1HB TYR 97 HB2 TYR 97 15.300 -2.710 -15.126 719 2HB TYR 97 HB3 TYR 97 14.093 -3.698 -14.315 720 HD1 TYR 97 HD1 TYR 97 15.404 -6.015 -13.276 721 HD2 TYR 97 HD2 TYR 97 16.934 -1.990 -13.590 722 HE1 TYR 97 HE1 TYR 97 17.025 -6.497 -11.476 723 HE2 TYR 97 HE2 TYR 97 18.547 -2.456 -11.788 724 HH TYR 97 HH TYR 97 19.379 -4.079 -10.275 725 H GLY 98 H GLY 98 15.666 -4.410 -18.457 726 1HA GLY 98 HA2 GLY 98 14.401 -4.103 -20.342 727 2HA GLY 98 HA3 GLY 98 12.952 -4.495 -19.412 728 HA PRO 99 HA PRO 99 13.111 0.055 -20.526 729 1HB PRO 99 HB2 PRO 99 10.720 0.279 -21.859 730 2HB PRO 99 HB3 PRO 99 12.244 -0.227 -22.643 731 1HG PRO 99 HG2 PRO 99 9.999 -1.981 -21.619 732 2HG PRO 99 HG3 PRO 99 10.879 -2.099 -23.174 733 1HD PRO 99 HD2 PRO 99 11.485 -3.653 -20.997 734 2HD PRO 99 HD3 PRO 99 12.739 -3.105 -22.148 735 H ALA 100 H ALA 100 12.430 1.499 -19.072 736 HA ALA 100 HA ALA 100 10.445 0.903 -17.017 737 1HB ALA 100 HB1 ALA 100 11.772 3.493 -17.903 738 2HB ALA 100 HB2 ALA 100 10.941 3.249 -16.361 739 3HB ALA 100 HB3 ALA 100 12.461 2.412 -16.681 740 H GLN 101 H GLN 101 8.733 2.648 -16.644 741 HA GLN 101 HA GLN 101 7.087 3.175 -19.030 742 1HB GLN 101 HB2 GLN 101 6.789 3.765 -16.044 743 2HB GLN 101 HB3 GLN 101 5.695 4.431 -17.263 744 1HG GLN 101 HG2 GLN 101 5.030 2.229 -18.001 745 2HG GLN 101 HG3 GLN 101 6.181 1.453 -16.899 746 1HE2 GLN 101 HE22 GLN 101 3.191 3.461 -17.018 747 2HE2 GLN 101 HE21 GLN 101 2.638 3.028 -15.422 748 H HIS 102 H HIS 102 9.043 4.298 -19.996 749 HA HIS 102 HA HIS 102 10.292 6.508 -18.885 750 1HB HIS 102 HB2 HIS 102 9.745 5.843 -21.790 751 2HB HIS 102 HB3 HIS 102 10.853 7.117 -21.276 752 HD1 HIS 102 HD1 HIS 102 11.002 3.516 -22.102 753 HD2 HIS 102 HD2 HIS 102 12.767 6.145 -19.334 754 HE1 HIS 102 HE1 HIS 102 13.098 2.353 -21.220 755 H ALA 103 H ALA 103 7.055 6.470 -20.168 756 HA ALA 103 HA ALA 103 6.610 9.201 -20.688 757 1HB ALA 103 HB1 ALA 103 4.937 7.459 -21.096 758 2HB ALA 103 HB2 ALA 103 4.817 7.116 -19.352 759 3HB ALA 103 HB3 ALA 103 4.275 8.683 -19.996 760 H ILE 104 H ILE 104 6.872 7.432 -17.569 761 HA ILE 104 HA ILE 104 6.141 9.613 -15.842 762 HB ILE 104 HB ILE 104 7.988 7.229 -15.346 763 1HG1 ILE 104 HG12 ILE 104 5.662 6.546 -16.013 764 2HG1 ILE 104 HG13 ILE 104 6.160 6.021 -14.414 765 1HG2 ILE 104 HG21 ILE 104 8.420 8.841 -13.634 766 2HG2 ILE 104 HG22 ILE 104 6.697 9.183 -13.405 767 3HG2 ILE 104 HG23 ILE 104 7.368 7.613 -12.918 768 1HD1 ILE 104 HD11 ILE 104 4.825 7.676 -13.331 769 2HD1 ILE 104 HD12 ILE 104 4.477 8.520 -14.869 770 3HD1 ILE 104 HD13 ILE 104 3.812 6.889 -14.554 771 H SER 105 H SER 105 9.312 8.325 -17.023 772 HA SER 105 HA SER 105 10.949 10.096 -15.694 773 1HB SER 105 HB2 SER 105 11.382 8.905 -18.464 774 2HB SER 105 HB3 SER 105 12.610 9.418 -17.312 775 HG SER 105 HG SER 105 12.260 7.162 -17.031 776 H THR 106 H THR 106 9.575 10.512 -19.024 777 HA THR 106 HA THR 106 10.533 13.157 -19.365 778 HB THR 106 HB THR 106 8.375 13.326 -20.885 779 HG1 THR 106 HG1 THR 106 7.413 11.384 -20.006 780 1HG2 THR 106 HG21 THR 106 10.596 13.172 -21.783 781 2HG2 THR 106 HG22 THR 106 10.714 11.443 -21.380 782 3HG2 THR 106 HG23 THR 106 9.577 12.007 -22.631 783 H GLU 107 H GLU 107 7.392 12.089 -17.855 784 HA GLU 107 HA GLU 107 6.388 14.718 -17.557 785 1HB GLU 107 HB2 GLU 107 5.846 12.060 -16.141 786 2HB GLU 107 HB3 GLU 107 5.079 13.541 -15.591 787 1HG GLU 107 HG2 GLU 107 4.899 12.543 -18.464 788 2HG GLU 107 HG3 GLU 107 3.730 12.156 -17.207 789 H LYS 108 H LYS 108 8.350 12.721 -15.329 790 HA LYS 108 HA LYS 108 8.367 14.652 -13.200 791 1HB LYS 108 HB2 LYS 108 10.250 12.342 -13.889 792 2HB LYS 108 HB3 LYS 108 10.286 13.244 -12.379 793 1HG LYS 108 HG2 LYS 108 7.979 11.504 -13.320 794 2HG LYS 108 HG3 LYS 108 9.179 11.125 -12.098 795 1HD LYS 108 HD2 LYS 108 8.236 13.430 -11.021 796 2HD LYS 108 HD3 LYS 108 6.834 13.026 -12.016 797 1HE LYS 108 HE2 LYS 108 6.472 12.064 -9.835 798 2HE LYS 108 HE3 LYS 108 6.813 10.731 -10.951 799 1HZ LYS 108 HZ1 LYS 108 8.713 11.972 -9.020 800 2HZ LYS 108 HZ2 LYS 108 8.128 10.448 -8.941 801 3HZ LYS 108 HZ3 LYS 108 9.159 10.857 -10.128 802 H ILE 109 H ILE 109 10.777 13.912 -15.799 803 HA ILE 109 HA ILE 109 12.622 15.895 -14.851 804 HB ILE 109 HB ILE 109 12.327 14.377 -17.441 805 1HG1 ILE 109 HG12 ILE 109 14.511 14.210 -15.316 806 2HG1 ILE 109 HG13 ILE 109 13.062 13.205 -15.297 807 1HG2 ILE 109 HG21 ILE 109 14.483 15.198 -18.221 808 2HG2 ILE 109 HG22 ILE 109 13.458 16.596 -17.936 809 3HG2 ILE 109 HG23 ILE 109 14.705 16.154 -16.753 810 1HD1 ILE 109 HD11 ILE 109 13.664 12.289 -17.542 811 2HD1 ILE 109 HD12 ILE 109 15.187 13.207 -17.480 812 3HD1 ILE 109 HD13 ILE 109 14.868 11.946 -16.286 813 H LYS 110 H LYS 110 9.848 16.115 -17.236 814 HA LYS 110 HA LYS 110 10.423 18.875 -17.847 815 1HB LYS 110 HB2 LYS 110 7.823 17.277 -17.918 816 2HB LYS 110 HB3 LYS 110 7.891 19.007 -18.240 817 1HG LYS 110 HG2 LYS 110 9.732 18.444 -19.989 818 2HG LYS 110 HG3 LYS 110 9.181 16.773 -19.821 819 1HD LYS 110 HD2 LYS 110 8.168 17.809 -21.755 820 2HD LYS 110 HD3 LYS 110 6.920 17.428 -20.558 821 1HE LYS 110 HE2 LYS 110 6.708 19.727 -19.896 822 2HE LYS 110 HE3 LYS 110 8.204 20.190 -20.720 823 1HZ LYS 110 HZ1 LYS 110 5.847 19.221 -22.212 824 2HZ LYS 110 HZ2 LYS 110 6.097 20.797 -21.872 825 3HZ LYS 110 HZ3 LYS 110 7.180 20.016 -22.797 826 H ALA 111 H ALA 111 8.396 17.382 -15.251 827 HA ALA 111 HA ALA 111 7.435 19.807 -14.217 828 1HB ALA 111 HB1 ALA 111 6.521 17.609 -13.605 829 2HB ALA 111 HB2 ALA 111 8.016 17.206 -12.731 830 3HB ALA 111 HB3 ALA 111 6.977 18.526 -12.159 831 H LYS 112 H LYS 112 10.498 18.087 -13.435 832 HA LYS 112 HA LYS 112 11.201 20.170 -11.465 833 1HB LYS 112 HB2 LYS 112 12.361 17.485 -12.255 834 2HB LYS 112 HB3 LYS 112 13.366 18.661 -11.418 835 1HG LYS 112 HG2 LYS 112 12.434 17.276 -9.736 836 2HG LYS 112 HG3 LYS 112 11.689 18.864 -9.606 837 1HD LYS 112 HD2 LYS 112 9.659 17.922 -10.830 838 2HD LYS 112 HD3 LYS 112 10.441 16.329 -10.754 839 1HE LYS 112 HE2 LYS 112 10.573 16.695 -8.217 840 2HE LYS 112 HE3 LYS 112 9.590 18.143 -8.448 841 1HZ LYS 112 HZ1 LYS 112 8.805 15.344 -9.023 842 2HZ LYS 112 HZ2 LYS 112 8.174 16.327 -7.880 843 3HZ LYS 112 HZ3 LYS 112 7.878 16.649 -9.451 844 H TYR 113 H TYR 113 11.776 19.620 -14.813 845 HA TYR 113 HA TYR 113 13.185 20.346 -16.314 846 1HB TYR 113 HB2 TYR 113 13.297 22.820 -16.569 847 2HB TYR 113 HB3 TYR 113 11.715 22.092 -16.469 848 HD1 TYR 113 HD1 TYR 113 14.045 24.433 -14.850 849 HD2 TYR 113 HD2 TYR 113 10.244 22.420 -14.514 850 HE1 TYR 113 HE1 TYR 113 13.367 26.021 -13.076 851 HE2 TYR 113 HE2 TYR 113 9.556 23.993 -12.737 852 HH TYR 113 HH TYR 113 10.164 25.837 -11.442 853 HA PRO 114 HA PRO 114 17.149 20.203 -13.861 854 1HB PRO 114 HB2 PRO 114 17.419 18.057 -15.973 855 2HB PRO 114 HB3 PRO 114 18.127 18.105 -14.325 856 1HG PRO 114 HG2 PRO 114 15.929 16.613 -14.788 857 2HG PRO 114 HG3 PRO 114 15.988 17.658 -13.333 858 1HD PRO 114 HD2 PRO 114 14.646 18.242 -15.993 859 2HD PRO 114 HD3 PRO 114 14.018 18.423 -14.329 860 H ASP 115 H ASP 115 16.100 20.474 -17.213 861 HA ASP 115 HA ASP 115 18.296 22.428 -17.673 862 1HB ASP 115 HB2 ASP 115 18.996 20.563 -19.027 863 2HB ASP 115 HB3 ASP 115 17.367 20.355 -19.691 864 H TYR 116 H TYR 116 15.359 21.255 -19.442 865 HA TYR 116 HA TYR 116 13.819 23.619 -18.775 866 1HB TYR 116 HB2 TYR 116 15.299 24.619 -20.474 867 2HB TYR 116 HB3 TYR 116 14.953 23.309 -21.592 868 HD1 TYR 116 HD1 TYR 116 13.274 26.060 -19.643 869 HD2 TYR 116 HD2 TYR 116 13.184 23.552 -23.156 870 HE1 TYR 116 HE1 TYR 116 11.354 27.356 -20.510 871 HE2 TYR 116 HE2 TYR 116 11.260 24.840 -24.032 872 HH TYR 116 HH TYR 116 9.820 27.613 -22.247 873 H GLU 117 H GLU 117 14.279 20.990 -21.239 874 HA GLU 117 HA GLU 117 11.619 19.916 -20.688 875 1HB GLU 117 HB2 GLU 117 11.149 21.717 -22.275 876 2HB GLU 117 HB3 GLU 117 12.396 21.136 -23.382 877 1HG GLU 117 HG2 GLU 117 11.107 19.208 -23.969 878 2HG GLU 117 HG3 GLU 117 10.044 19.401 -22.570 879 H VAL 118 H VAL 118 11.331 17.908 -22.141 880 HA VAL 118 HA VAL 118 13.766 16.543 -22.893 881 HB VAL 118 HB VAL 118 13.739 16.275 -20.473 882 1HG1 VAL 118 HG11 VAL 118 11.835 15.012 -19.375 883 2HG1 VAL 118 HG12 VAL 118 11.521 16.686 -19.809 884 3HG1 VAL 118 HG13 VAL 118 10.867 15.357 -20.799 885 1HG2 VAL 118 HG21 VAL 118 13.831 13.904 -20.215 886 2HG2 VAL 118 HG22 VAL 118 12.797 13.631 -21.623 887 3HG2 VAL 118 HG23 VAL 118 14.423 14.289 -21.834 888 H THR 119 H THR 119 13.187 14.496 -24.045 889 HA THR 119 HA THR 119 10.312 13.964 -24.465 890 HB THR 119 HB THR 119 10.849 13.478 -26.898 891 HG1 THR 119 HG1 THR 119 12.614 14.552 -27.772 892 1HG2 THR 119 HG21 THR 119 10.549 15.759 -27.656 893 2HG2 THR 119 HG22 THR 119 9.576 15.469 -26.204 894 3HG2 THR 119 HG23 THR 119 11.090 16.399 -26.087 895 H TRP 120 H TRP 120 10.259 11.684 -25.754 896 HA TRP 120 HA TRP 120 12.579 10.086 -25.071 897 1HB TRP 120 HB2 TRP 120 11.509 8.356 -23.887 898 2HB TRP 120 HB3 TRP 120 11.016 9.823 -23.084 899 HD1 TRP 120 HD1 TRP 120 8.375 10.625 -24.021 900 HE1 TRP 120 HE1 TRP 120 6.314 9.125 -24.093 901 HE3 TRP 120 HE3 TRP 120 10.721 6.090 -24.377 902 HZ2 TRP 120 HZ2 TRP 120 5.745 6.277 -24.199 903 HZ3 TRP 120 HZ3 TRP 120 9.395 3.999 -24.410 904 HH2 TRP 120 HH2 TRP 120 6.913 4.077 -24.317 905 H ALA 121 H ALA 121 12.457 7.883 -26.032 906 HA ALA 121 HA ALA 121 10.461 7.510 -28.133 907 1HB ALA 121 HB1 ALA 121 12.313 8.629 -29.363 908 2HB ALA 121 HB2 ALA 121 13.471 7.445 -28.710 909 3HB ALA 121 HB3 ALA 121 12.196 6.921 -29.828 910 H ASN 122 H ASN 122 10.108 5.318 -28.500 911 HA ASN 122 HA ASN 122 11.051 3.571 -26.332 912 1HB ASN 122 HB2 ASN 122 8.618 3.898 -26.834 913 2HB ASN 122 HB3 ASN 122 8.873 3.159 -28.415 914 1HD2 ASN 122 HD22 ASN 122 7.500 1.324 -27.995 915 2HD2 ASN 122 HD21 ASN 122 7.925 0.100 -26.829 916 H ASP 123 H ASP 123 13.189 3.958 -27.902 917 HA ASP 123 HA ASP 123 13.621 1.435 -29.329 918 1HB ASP 123 HB2 ASP 123 12.590 3.217 -30.957 919 2HB ASP 123 HB3 ASP 123 14.159 4.021 -30.797 920 H GLY 124 H GLY 124 15.967 1.718 -30.349 921 1HA GLY 124 HA2 GLY 124 18.238 1.975 -30.004 922 2HA GLY 124 HA3 GLY 124 17.906 3.327 -28.924 923 H TYR 125 H TYR 125 19.693 2.397 -27.635 924 HA TYR 125 HA TYR 125 18.784 0.568 -25.554 925 1HB TYR 125 HB2 TYR 125 19.734 -1.058 -27.054 926 2HB TYR 125 HB3 TYR 125 21.094 -0.009 -27.435 927 HD1 TYR 125 HD1 TYR 125 23.126 -0.719 -26.573 928 HD2 TYR 125 HD2 TYR 125 19.543 -1.391 -24.259 929 HE1 TYR 125 HE1 TYR 125 24.477 -1.789 -24.798 930 HE2 TYR 125 HE2 TYR 125 20.882 -2.459 -22.480 931 HH TYR 125 HH TYR 125 23.031 -3.103 -21.794 Start of MODEL 6 1 1H MET 1 H1 MET 1 14.321 8.150 16.356 2 2H MET 1 H2 MET 1 15.848 8.750 16.225 3 3H MET 1 H3 MET 1 14.653 9.659 16.885 4 HA MET 1 HA MET 1 15.151 10.408 14.691 5 1HB MET 1 HB2 MET 1 14.916 9.098 12.764 6 2HB MET 1 HB3 MET 1 15.857 8.116 13.865 7 1HG MET 1 HG2 MET 1 12.900 7.786 13.196 8 2HG MET 1 HG3 MET 1 14.229 6.800 12.618 9 1HE MET 1 HE1 MET 1 11.532 5.645 13.823 10 2HE MET 1 HE2 MET 1 12.862 4.637 13.207 11 3HE MET 1 HE3 MET 1 12.167 4.311 14.811 12 H ALA 2 H ALA 2 13.222 10.550 12.844 13 HA ALA 2 HA ALA 2 10.561 10.359 14.081 14 1HB ALA 2 HB1 ALA 2 11.293 12.690 14.553 15 2HB ALA 2 HB2 ALA 2 11.676 12.918 12.830 16 3HB ALA 2 HB3 ALA 2 9.997 12.657 13.344 17 H VAL 3 H VAL 3 8.890 10.571 12.325 18 HA VAL 3 HA VAL 3 9.597 8.951 10.090 19 HB VAL 3 HB VAL 3 7.206 9.452 9.422 20 1HG1 VAL 3 HG11 VAL 3 7.801 7.456 10.647 21 2HG1 VAL 3 HG12 VAL 3 7.731 8.331 12.198 22 3HG1 VAL 3 HG13 VAL 3 6.259 8.095 11.236 23 1HG2 VAL 3 HG21 VAL 3 6.991 10.828 12.132 24 2HG2 VAL 3 HG22 VAL 3 6.967 11.668 10.562 25 3HG2 VAL 3 HG23 VAL 3 5.699 10.505 10.967 26 H ALA 4 H ALA 4 8.812 9.532 7.877 27 HA ALA 4 HA ALA 4 9.137 12.279 6.998 28 1HB ALA 4 HB1 ALA 4 11.434 11.366 6.693 29 2HB ALA 4 HB2 ALA 4 10.788 10.010 5.749 30 3HB ALA 4 HB3 ALA 4 10.648 11.661 5.139 31 H ASP 5 H ASP 5 8.600 11.866 4.322 32 HA ASP 5 HA ASP 5 6.315 9.996 4.155 33 1HB ASP 5 HB2 ASP 5 5.354 12.068 5.086 34 2HB ASP 5 HB3 ASP 5 6.110 13.018 3.805 35 H LEU 6 H LEU 6 5.689 9.642 1.948 36 HA LEU 6 HA LEU 6 7.747 9.368 0.106 37 1HB LEU 6 HB2 LEU 6 4.731 9.611 -0.251 38 2HB LEU 6 HB3 LEU 6 5.825 9.273 -1.564 39 HG LEU 6 HG LEU 6 5.293 7.469 0.797 40 1HD1 LEU 6 HD11 LEU 6 4.638 7.383 -2.192 41 2HD1 LEU 6 HD12 LEU 6 4.516 5.974 -1.138 42 3HD1 LEU 6 HD13 LEU 6 3.523 7.406 -0.823 43 1HD2 LEU 6 HD21 LEU 6 7.320 7.125 -1.452 44 2HD2 LEU 6 HD22 LEU 6 7.624 7.140 0.302 45 3HD2 LEU 6 HD23 LEU 6 6.739 5.803 -0.422 46 H ALA 7 H ALA 7 5.623 12.220 0.552 47 HA ALA 7 HA ALA 7 6.273 13.430 -1.939 48 1HB ALA 7 HB1 ALA 7 5.317 14.712 0.656 49 2HB ALA 7 HB2 ALA 7 5.261 15.447 -0.958 50 3HB ALA 7 HB3 ALA 7 4.272 14.016 -0.608 51 H LEU 8 H LEU 8 8.057 13.213 1.071 52 HA LEU 8 HA LEU 8 9.658 15.636 0.607 53 1HB LEU 8 HB2 LEU 8 10.030 13.389 2.629 54 2HB LEU 8 HB3 LEU 8 10.877 14.928 2.614 55 HG LEU 8 HG LEU 8 7.898 14.531 3.120 56 1HD1 LEU 8 HD11 LEU 8 10.139 15.447 4.971 57 2HD1 LEU 8 HD12 LEU 8 8.422 15.265 5.396 58 3HD1 LEU 8 HD13 LEU 8 9.387 13.842 4.979 59 1HD2 LEU 8 HD21 LEU 8 7.874 16.956 3.701 60 2HD2 LEU 8 HD22 LEU 8 9.535 17.107 3.082 61 3HD2 LEU 8 HD23 LEU 8 8.196 16.681 1.990 62 H ILE 9 H ILE 9 9.735 12.319 -0.398 63 HA ILE 9 HA ILE 9 12.513 11.831 -0.446 64 HB ILE 9 HB ILE 9 10.233 10.719 -2.126 65 1HG1 ILE 9 HG12 ILE 9 11.655 9.757 0.407 66 2HG1 ILE 9 HG13 ILE 9 9.989 10.349 0.301 67 1HG2 ILE 9 HG21 ILE 9 13.060 9.680 -1.824 68 2HG2 ILE 9 HG22 ILE 9 11.739 8.831 -2.655 69 3HG2 ILE 9 HG23 ILE 9 12.351 10.338 -3.311 70 1HD1 ILE 9 HD11 ILE 9 11.086 7.740 -0.768 71 2HD1 ILE 9 HD12 ILE 9 9.865 8.000 0.479 72 3HD1 ILE 9 HD13 ILE 9 9.484 8.383 -1.217 73 HA PRO 10 HA PRO 10 13.677 14.579 -3.908 74 1HB PRO 10 HB2 PRO 10 15.940 12.618 -4.227 75 2HB PRO 10 HB3 PRO 10 15.982 14.400 -4.156 76 1HG PRO 10 HG2 PRO 10 16.715 12.887 -2.011 77 2HG PRO 10 HG3 PRO 10 15.777 14.399 -1.797 78 1HD PRO 10 HD2 PRO 10 14.764 11.549 -1.781 79 2HD PRO 10 HD3 PRO 10 14.356 12.912 -0.692 80 H ASP 11 H ASP 11 12.300 14.318 -5.588 81 HA ASP 11 HA ASP 11 11.472 11.748 -6.486 82 1HB ASP 11 HB2 ASP 11 10.112 13.874 -6.332 83 2HB ASP 11 HB3 ASP 11 10.926 14.441 -7.796 84 H VAL 12 H VAL 12 13.616 14.199 -7.907 85 HA VAL 12 HA VAL 12 14.489 12.296 -10.002 86 HB VAL 12 HB VAL 12 13.794 15.229 -10.459 87 1HG1 VAL 12 HG11 VAL 12 14.295 14.789 -12.830 88 2HG1 VAL 12 HG12 VAL 12 15.713 14.501 -11.828 89 3HG1 VAL 12 HG13 VAL 12 14.773 13.120 -12.437 90 1HG2 VAL 12 HG21 VAL 12 12.349 12.753 -11.449 91 2HG2 VAL 12 HG22 VAL 12 11.722 14.026 -10.382 92 3HG2 VAL 12 HG23 VAL 12 12.093 14.406 -12.061 93 H ASP 13 H ASP 13 16.655 12.115 -9.785 94 HA ASP 13 HA ASP 13 18.261 14.548 -9.427 95 1HB ASP 13 HB2 ASP 13 18.120 13.844 -7.113 96 2HB ASP 13 HB3 ASP 13 18.506 12.176 -7.541 97 H ILE 14 H ILE 14 19.213 14.411 -11.389 98 HA ILE 14 HA ILE 14 20.348 11.826 -12.275 99 HB ILE 14 HB ILE 14 19.473 12.285 -14.550 100 1HG1 ILE 14 HG12 ILE 14 17.553 14.268 -13.249 101 2HG1 ILE 14 HG13 ILE 14 18.971 14.749 -14.170 102 1HG2 ILE 14 HG21 ILE 14 17.290 11.308 -14.161 103 2HG2 ILE 14 HG22 ILE 14 18.424 10.652 -12.986 104 3HG2 ILE 14 HG23 ILE 14 17.262 11.896 -12.484 105 1HD1 ILE 14 HD11 ILE 14 16.998 14.865 -15.577 106 2HD1 ILE 14 HD12 ILE 14 18.087 13.606 -16.178 107 3HD1 ILE 14 HD13 ILE 14 16.622 13.163 -15.268 108 H ASP 15 H ASP 15 22.013 11.950 -13.681 109 HA ASP 15 HA ASP 15 23.726 14.277 -13.337 110 1HB ASP 15 HB2 ASP 15 24.348 11.950 -12.843 111 2HB ASP 15 HB3 ASP 15 24.155 11.538 -14.558 112 H SER 16 H SER 16 22.017 15.416 -14.836 113 HA SER 16 HA SER 16 21.844 14.986 -17.572 114 1HB SER 16 HB2 SER 16 21.722 17.631 -16.070 115 2HB SER 16 HB3 SER 16 20.936 17.266 -17.613 116 HG SER 16 HG SER 16 19.618 15.788 -16.562 117 H ASP 17 H ASP 17 24.770 15.719 -16.135 118 HA ASP 17 HA ASP 17 25.865 17.776 -17.794 119 1HB ASP 17 HB2 ASP 17 26.797 17.124 -15.614 120 2HB ASP 17 HB3 ASP 17 27.164 15.513 -16.238 121 H GLY 18 H GLY 18 25.232 14.349 -18.430 122 1HA GLY 18 HA2 GLY 18 26.279 14.547 -21.122 123 2HA GLY 18 HA3 GLY 18 27.325 13.603 -20.056 124 H VAL 19 H VAL 19 26.649 12.068 -21.867 125 HA VAL 19 HA VAL 19 23.961 10.941 -21.737 126 HB VAL 19 HB VAL 19 26.419 10.143 -23.367 127 1HG1 VAL 19 HG11 VAL 19 24.802 9.015 -24.858 128 2HG1 VAL 19 HG12 VAL 19 24.774 8.315 -23.236 129 3HG1 VAL 19 HG13 VAL 19 23.480 9.417 -23.743 130 1HG2 VAL 19 HG21 VAL 19 24.084 11.955 -24.080 131 2HG2 VAL 19 HG22 VAL 19 25.793 12.424 -23.955 132 3HG2 VAL 19 HG23 VAL 19 25.282 11.332 -25.238 133 H PHE 20 H PHE 20 23.553 9.647 -19.962 134 HA PHE 20 HA PHE 20 25.439 7.494 -19.274 135 1HB PHE 20 HB2 PHE 20 24.391 9.375 -17.130 136 2HB PHE 20 HB3 PHE 20 25.470 8.002 -16.915 137 HD1 PHE 20 HD1 PHE 20 27.759 8.160 -18.386 138 HD2 PHE 20 HD2 PHE 20 25.361 11.507 -17.109 139 HE1 PHE 20 HE1 PHE 20 29.701 9.670 -18.688 140 HE2 PHE 20 HE2 PHE 20 27.308 13.009 -17.384 141 HZ PHE 20 HZ PHE 20 29.481 12.101 -18.211 142 H LYS 21 H LYS 21 24.332 6.036 -17.540 143 HA LYS 21 HA LYS 21 21.683 5.487 -18.674 144 1HB LYS 21 HB2 LYS 21 23.408 3.871 -16.753 145 2HB LYS 21 HB3 LYS 21 21.863 3.343 -17.442 146 1HG LYS 21 HG2 LYS 21 22.775 3.448 -19.719 147 2HG LYS 21 HG3 LYS 21 24.332 4.026 -19.092 148 1HD LYS 21 HD2 LYS 21 24.566 1.933 -17.774 149 2HD LYS 21 HD3 LYS 21 23.056 1.325 -18.483 150 1HE LYS 21 HE2 LYS 21 24.038 1.483 -20.750 151 2HE LYS 21 HE3 LYS 21 25.522 2.166 -20.074 152 1HZ LYS 21 HZ1 LYS 21 25.859 0.083 -18.873 153 2HZ LYS 21 HZ2 LYS 21 24.514 -0.570 -19.565 154 3HZ LYS 21 HZ3 LYS 21 25.798 -0.171 -20.490 155 H TYR 22 H TYR 22 19.892 4.768 -17.246 156 HA TYR 22 HA TYR 22 19.846 5.971 -14.577 157 1HB TYR 22 HB2 TYR 22 18.482 7.689 -15.019 158 2HB TYR 22 HB3 TYR 22 18.975 7.516 -16.680 159 HD1 TYR 22 HD1 TYR 22 17.538 5.912 -18.161 160 HD2 TYR 22 HD2 TYR 22 16.224 7.506 -14.386 161 HE1 TYR 22 HE1 TYR 22 15.222 5.207 -18.675 162 HE2 TYR 22 HE2 TYR 22 13.894 6.864 -14.913 163 HH TYR 22 HH TYR 22 12.475 5.871 -16.440 164 H VAL 23 H VAL 23 17.609 5.454 -13.563 165 HA VAL 23 HA VAL 23 16.342 3.042 -14.611 166 HB VAL 23 HB VAL 23 18.268 2.322 -13.158 167 1HG1 VAL 23 HG11 VAL 23 16.645 3.520 -10.878 168 2HG1 VAL 23 HG12 VAL 23 18.091 2.510 -10.720 169 3HG1 VAL 23 HG13 VAL 23 18.193 4.120 -11.466 170 1HG2 VAL 23 HG21 VAL 23 15.526 1.490 -12.160 171 2HG2 VAL 23 HG22 VAL 23 16.408 0.818 -13.549 172 3HG2 VAL 23 HG23 VAL 23 17.057 0.620 -11.919 173 H LEU 24 H LEU 24 14.233 2.734 -13.670 174 HA LEU 24 HA LEU 24 13.066 5.178 -12.424 175 1HB LEU 24 HB2 LEU 24 12.384 4.800 -14.775 176 2HB LEU 24 HB3 LEU 24 11.864 3.171 -14.368 177 HG LEU 24 HG LEU 24 10.113 4.147 -12.834 178 1HD1 LEU 24 HD11 LEU 24 11.134 6.339 -12.331 179 2HD1 LEU 24 HD12 LEU 24 11.013 6.806 -14.043 180 3HD1 LEU 24 HD13 LEU 24 9.552 6.547 -13.066 181 1HD2 LEU 24 HD21 LEU 24 10.009 5.195 -15.693 182 2HD2 LEU 24 HD22 LEU 24 9.654 3.527 -15.187 183 3HD2 LEU 24 HD23 LEU 24 8.632 4.849 -14.616 184 H ILE 25 H ILE 25 12.522 4.644 -10.261 185 HA ILE 25 HA ILE 25 11.829 1.795 -9.784 186 HB ILE 25 HB ILE 25 13.310 1.388 -8.318 187 1HG1 ILE 25 HG12 ILE 25 13.405 4.147 -7.100 188 2HG1 ILE 25 HG13 ILE 25 12.333 2.853 -6.567 189 1HG2 ILE 25 HG21 ILE 25 14.726 2.385 -10.114 190 2HG2 ILE 25 HG22 ILE 25 14.851 3.867 -9.115 191 3HG2 ILE 25 HG23 ILE 25 15.513 2.325 -8.545 192 1HD1 ILE 25 HD11 ILE 25 14.188 2.884 -5.082 193 2HD1 ILE 25 HD12 ILE 25 14.314 1.421 -6.085 194 3HD1 ILE 25 HD13 ILE 25 15.356 2.827 -6.406 195 H ARG 26 H ARG 26 10.210 1.303 -8.582 196 HA ARG 26 HA ARG 26 8.344 3.381 -7.672 197 1HB ARG 26 HB2 ARG 26 7.576 1.337 -8.847 198 2HB ARG 26 HB3 ARG 26 8.265 0.322 -7.582 199 1HG ARG 26 HG2 ARG 26 6.661 1.014 -5.977 200 2HG ARG 26 HG3 ARG 26 6.243 2.471 -6.880 201 1HD ARG 26 HD2 ARG 26 4.444 0.832 -6.989 202 2HD ARG 26 HD3 ARG 26 5.100 1.203 -8.588 203 HE ARG 26 HE ARG 26 6.466 -1.086 -7.728 204 1HH1 ARG 26 HH12 ARG 26 3.082 -0.205 -8.366 205 2HH1 ARG 26 HH11 ARG 26 2.630 -1.773 -8.918 206 1HH2 ARG 26 HH21 ARG 26 5.893 -3.159 -8.560 207 2HH2 ARG 26 HH22 ARG 26 4.247 -3.492 -8.990 208 H VAL 27 H VAL 27 7.886 3.664 -5.479 209 HA VAL 27 HA VAL 27 9.627 2.418 -3.430 210 HB VAL 27 HB VAL 27 8.842 5.359 -3.681 211 1HG1 VAL 27 HG11 VAL 27 9.227 4.641 -1.347 212 2HG1 VAL 27 HG12 VAL 27 10.838 4.031 -1.806 213 3HG1 VAL 27 HG13 VAL 27 10.475 5.761 -1.893 214 1HG2 VAL 27 HG21 VAL 27 11.539 4.098 -4.319 215 2HG2 VAL 27 HG22 VAL 27 10.463 4.956 -5.445 216 3HG2 VAL 27 HG23 VAL 27 11.244 5.841 -4.138 217 H HIS 28 H HIS 28 8.439 1.980 -1.551 218 HA HIS 28 HA HIS 28 5.479 2.468 -1.605 219 1HB HIS 28 HB2 HIS 28 7.078 0.211 -0.341 220 2HB HIS 28 HB3 HIS 28 5.323 0.359 -0.408 221 HD1 HIS 28 HD1 HIS 28 4.401 0.440 -3.189 222 HD2 HIS 28 HD2 HIS 28 8.129 -1.261 -2.215 223 HE1 HIS 28 HE1 HIS 28 5.017 -1.102 -5.117 224 H SER 29 H SER 29 4.542 3.259 0.244 225 HA SER 29 HA SER 29 6.090 4.923 1.911 226 1HB SER 29 HB2 SER 29 3.299 3.897 2.477 227 2HB SER 29 HB3 SER 29 4.054 5.333 3.162 228 HG SER 29 HG SER 29 3.382 4.859 0.435 229 H ALA 30 H ALA 30 7.614 4.008 3.224 230 HA ALA 30 HA ALA 30 6.599 2.816 5.662 231 1HB ALA 30 HB1 ALA 30 7.119 0.809 4.315 232 2HB ALA 30 HB2 ALA 30 8.781 1.378 4.092 233 3HB ALA 30 HB3 ALA 30 8.197 0.947 5.706 234 HA PRO 31 HA PRO 31 10.724 5.537 5.675 235 1HB PRO 31 HB2 PRO 31 8.749 7.687 6.439 236 2HB PRO 31 HB3 PRO 31 10.426 7.855 5.811 237 1HG PRO 31 HG2 PRO 31 8.314 8.068 4.124 238 2HG PRO 31 HG3 PRO 31 9.784 7.174 3.639 239 1HD PRO 31 HD2 PRO 31 7.132 6.085 4.562 240 2HD PRO 31 HD3 PRO 31 8.295 5.460 3.360 241 H ARG 32 H ARG 32 11.801 5.479 7.464 242 HA ARG 32 HA ARG 32 12.391 4.671 9.472 243 1HB ARG 32 HB2 ARG 32 10.729 7.066 10.341 244 2HB ARG 32 HB3 ARG 32 12.012 6.287 11.257 245 1HG ARG 32 HG2 ARG 32 13.218 8.013 10.364 246 2HG ARG 32 HG3 ARG 32 13.520 6.772 9.154 247 1HD ARG 32 HD2 ARG 32 11.571 7.816 7.817 248 2HD ARG 32 HD3 ARG 32 11.576 9.122 8.973 249 HE ARG 32 HE ARG 32 13.538 8.488 6.891 250 1HH1 ARG 32 HH11 ARG 32 12.910 10.492 9.771 251 2HH1 ARG 32 HH12 ARG 32 13.994 11.752 9.289 252 1HH2 ARG 32 HH22 ARG 32 14.871 10.251 6.185 253 2HH2 ARG 32 HH21 ARG 32 15.173 11.572 7.252 254 H SER 33 H SER 33 10.141 3.191 8.515 255 HA SER 33 HA SER 33 8.658 1.664 9.135 256 1HB SER 33 HB2 SER 33 10.222 1.574 11.739 257 2HB SER 33 HB3 SER 33 9.273 0.267 11.011 258 HG SER 33 HG SER 33 11.518 0.064 10.586 259 H GLY 34 H GLY 34 7.866 4.460 9.736 260 1HA GLY 34 HA2 GLY 34 5.706 3.864 11.710 261 2HA GLY 34 HA3 GLY 34 6.792 5.234 11.972 262 H ALA 35 H ALA 35 6.437 5.072 8.641 263 HA ALA 35 HA ALA 35 4.842 7.360 8.429 264 1HB ALA 35 HB1 ALA 35 4.747 6.802 6.018 265 2HB ALA 35 HB2 ALA 35 6.373 6.609 6.701 266 3HB ALA 35 HB3 ALA 35 5.363 5.171 6.374 267 HA PRO 36 HA PRO 36 0.853 5.826 9.245 268 1HB PRO 36 HB2 PRO 36 -0.778 7.828 8.374 269 2HB PRO 36 HB3 PRO 36 0.468 8.090 9.629 270 1HG PRO 36 HG2 PRO 36 0.718 8.608 6.640 271 2HG PRO 36 HG3 PRO 36 1.042 9.753 7.986 272 1HD PRO 36 HD2 PRO 36 3.038 8.300 6.843 273 2HD PRO 36 HD3 PRO 36 3.011 8.616 8.605 274 H ALA 37 H ALA 37 1.801 5.398 6.061 275 HA ALA 37 HA ALA 37 -0.814 4.281 5.236 276 1HB ALA 37 HB1 ALA 37 0.712 6.410 3.667 277 2HB ALA 37 HB2 ALA 37 -0.809 5.623 3.178 278 3HB ALA 37 HB3 ALA 37 -0.780 6.692 4.590 279 H ALA 38 H ALA 38 -0.488 3.431 2.863 280 HA ALA 38 HA ALA 38 2.178 2.244 2.381 281 1HB ALA 38 HB1 ALA 38 1.232 0.060 1.985 282 2HB ALA 38 HB2 ALA 38 0.886 0.560 3.650 283 3HB ALA 38 HB3 ALA 38 -0.397 0.638 2.414 284 H GLU 39 H GLU 39 1.009 4.525 1.204 285 HA GLU 39 HA GLU 39 0.030 3.759 -1.431 286 1HB GLU 39 HB2 GLU 39 1.109 6.396 -0.317 287 2HB GLU 39 HB3 GLU 39 0.467 6.187 -1.952 288 1HG GLU 39 HG2 GLU 39 -1.719 5.459 -0.983 289 2HG GLU 39 HG3 GLU 39 -1.096 5.787 0.635 290 H SER 40 H SER 40 1.443 4.626 -3.388 291 HA SER 40 HA SER 40 4.317 4.134 -2.949 292 1HB SER 40 HB2 SER 40 2.782 2.774 -5.184 293 2HB SER 40 HB3 SER 40 4.466 2.524 -4.718 294 HG SER 40 HG SER 40 2.143 1.833 -3.223 295 H LYS 41 H LYS 41 5.622 4.821 -4.794 296 HA LYS 41 HA LYS 41 4.477 6.571 -6.826 297 1HB LYS 41 HB2 LYS 41 5.720 8.580 -6.109 298 2HB LYS 41 HB3 LYS 41 4.489 8.109 -4.968 299 1HG LYS 41 HG2 LYS 41 6.154 8.660 -3.548 300 2HG LYS 41 HG3 LYS 41 6.374 6.926 -3.633 301 1HD LYS 41 HD2 LYS 41 8.515 7.702 -3.619 302 2HD LYS 41 HD3 LYS 41 8.286 7.487 -5.344 303 1HE LYS 41 HE2 LYS 41 7.964 10.127 -3.804 304 2HE LYS 41 HE3 LYS 41 9.442 9.620 -4.618 305 1HZ LYS 41 HZ1 LYS 41 6.860 10.224 -5.933 306 2HZ LYS 41 HZ2 LYS 41 8.256 11.046 -6.113 307 3HZ LYS 41 HZ3 LYS 41 8.163 9.559 -6.716 308 H GLU 42 H GLU 42 6.315 7.430 -8.260 309 HA GLU 42 HA GLU 42 8.566 5.468 -8.276 310 1HB GLU 42 HB2 GLU 42 7.269 7.043 -10.539 311 2HB GLU 42 HB3 GLU 42 8.762 6.122 -10.687 312 1HG GLU 42 HG2 GLU 42 7.051 4.754 -11.557 313 2HG GLU 42 HG3 GLU 42 7.571 4.046 -10.030 314 H ILE 43 H ILE 43 10.683 6.272 -8.836 315 HA ILE 43 HA ILE 43 11.103 9.200 -8.809 316 HB ILE 43 HB ILE 43 13.072 8.934 -7.358 317 1HG1 ILE 43 HG12 ILE 43 12.094 6.105 -6.800 318 2HG1 ILE 43 HG13 ILE 43 13.484 6.491 -7.812 319 1HG2 ILE 43 HG21 ILE 43 10.608 7.874 -5.938 320 2HG2 ILE 43 HG22 ILE 43 11.901 8.896 -5.269 321 3HG2 ILE 43 HG23 ILE 43 10.797 9.562 -6.478 322 1HD1 ILE 43 HD11 ILE 43 14.184 5.813 -5.597 323 2HD1 ILE 43 HD12 ILE 43 14.651 7.497 -5.912 324 3HD1 ILE 43 HD13 ILE 43 13.268 7.128 -4.850 325 H VAL 44 H VAL 44 13.198 9.786 -9.699 326 HA VAL 44 HA VAL 44 14.052 7.914 -11.871 327 HB VAL 44 HB VAL 44 13.755 10.952 -11.911 328 1HG1 VAL 44 HG11 VAL 44 15.379 9.994 -13.563 329 2HG1 VAL 44 HG12 VAL 44 14.052 9.036 -14.249 330 3HG1 VAL 44 HG13 VAL 44 13.997 10.804 -14.309 331 1HG2 VAL 44 HG21 VAL 44 11.772 10.664 -13.332 332 2HG2 VAL 44 HG22 VAL 44 11.821 8.906 -13.066 333 3HG2 VAL 44 HG23 VAL 44 11.492 10.024 -11.720 334 H ARG 45 H ARG 45 16.236 7.398 -11.656 335 HA ARG 45 HA ARG 45 18.089 9.490 -10.640 336 1HB ARG 45 HB2 ARG 45 18.008 6.621 -9.633 337 2HB ARG 45 HB3 ARG 45 19.242 7.800 -9.219 338 1HG ARG 45 HG2 ARG 45 16.307 7.929 -8.406 339 2HG ARG 45 HG3 ARG 45 17.658 7.422 -7.397 340 1HD ARG 45 HD2 ARG 45 18.619 9.634 -7.385 341 2HD ARG 45 HD3 ARG 45 17.413 10.220 -8.520 342 HE ARG 45 HE ARG 45 15.830 10.343 -6.865 343 1HH1 ARG 45 HH21 ARG 45 18.715 8.761 -5.468 344 2HH1 ARG 45 HH22 ARG 45 18.049 8.721 -3.852 345 1HH2 ARG 45 HH11 ARG 45 15.056 10.368 -4.707 346 2HH2 ARG 45 HH12 ARG 45 16.029 9.673 -3.433 347 H GLY 46 H GLY 46 20.238 9.258 -11.534 348 1HA GLY 46 HA2 GLY 46 21.145 6.957 -12.908 349 2HA GLY 46 HA3 GLY 46 20.441 8.073 -14.091 350 H TYR 47 H TYR 47 23.340 7.199 -13.388 351 HA TYR 47 HA TYR 47 24.555 9.866 -13.336 352 1HB TYR 47 HB2 TYR 47 25.325 7.837 -11.236 353 2HB TYR 47 HB3 TYR 47 25.859 9.502 -11.365 354 HD1 TYR 47 HD1 TYR 47 23.144 7.245 -10.384 355 HD2 TYR 47 HD2 TYR 47 24.471 11.338 -10.453 356 HE1 TYR 47 HE1 TYR 47 21.431 7.818 -8.674 357 HE2 TYR 47 HE2 TYR 47 22.752 11.936 -8.773 358 HH TYR 47 HH TYR 47 21.059 11.162 -7.398 359 H LYS 48 H LYS 48 26.785 9.874 -13.904 360 HA LYS 48 HA LYS 48 27.673 7.983 -15.716 361 1HB LYS 48 HB2 LYS 48 29.824 9.033 -15.591 362 2HB LYS 48 HB3 LYS 48 28.574 10.261 -15.440 363 1HG LYS 48 HG2 LYS 48 28.967 10.257 -12.921 364 2HG LYS 48 HG3 LYS 48 30.270 9.100 -13.195 365 1HD LYS 48 HD2 LYS 48 31.538 10.944 -13.156 366 2HD LYS 48 HD3 LYS 48 31.178 10.972 -14.872 367 1HE LYS 48 HE2 LYS 48 29.744 12.558 -12.679 368 2HE LYS 48 HE3 LYS 48 31.003 13.193 -13.740 369 1HZ LYS 48 HZ1 LYS 48 29.488 12.782 -15.621 370 2HZ LYS 48 HZ2 LYS 48 28.302 12.301 -14.562 371 3HZ LYS 48 HZ3 LYS 48 28.844 13.822 -14.527 372 H TRP 49 H TRP 49 28.124 7.824 -12.166 373 HA TRP 49 HA TRP 49 30.113 5.767 -12.354 374 1HB TRP 49 HB2 TRP 49 29.593 5.474 -9.881 375 2HB TRP 49 HB3 TRP 49 30.266 6.986 -10.436 376 HD1 TRP 49 HD1 TRP 49 29.153 9.114 -9.667 377 HE1 TRP 49 HE1 TRP 49 27.051 9.748 -8.374 378 HE3 TRP 49 HE3 TRP 49 26.826 4.550 -9.623 379 HZ2 TRP 49 HZ2 TRP 49 24.639 8.438 -7.429 380 HZ3 TRP 49 HZ3 TRP 49 24.592 4.301 -8.628 381 HH2 TRP 49 HH2 TRP 49 23.459 6.240 -7.543 382 H ALA 50 H ALA 50 26.577 5.608 -12.501 383 HA ALA 50 HA ALA 50 26.630 2.710 -11.997 384 1HB ALA 50 HB1 ALA 50 24.340 4.570 -12.676 385 2HB ALA 50 HB2 ALA 50 24.243 2.803 -12.421 386 3HB ALA 50 HB3 ALA 50 24.756 3.845 -11.091 387 H GLU 51 H GLU 51 28.182 2.333 -13.710 388 HA GLU 51 HA GLU 51 27.569 2.731 -16.475 389 1HB GLU 51 HB2 GLU 51 29.294 0.615 -15.102 390 2HB GLU 51 HB3 GLU 51 29.279 0.946 -16.841 391 1HG GLU 51 HG2 GLU 51 29.982 3.303 -16.362 392 2HG GLU 51 HG3 GLU 51 30.118 2.884 -14.650 393 H TYR 52 H TYR 52 25.956 0.766 -14.212 394 HA TYR 52 HA TYR 52 24.514 -0.648 -16.320 395 1HB TYR 52 HB2 TYR 52 24.527 -2.681 -14.645 396 2HB TYR 52 HB3 TYR 52 25.730 -2.496 -15.904 397 HD1 TYR 52 HD1 TYR 52 27.991 -1.559 -15.367 398 HD2 TYR 52 HD2 TYR 52 25.215 -2.785 -12.322 399 HE1 TYR 52 HE1 TYR 52 29.871 -1.739 -13.747 400 HE2 TYR 52 HE2 TYR 52 27.069 -2.975 -10.686 401 HH TYR 52 HH TYR 52 30.485 -2.254 -11.555 402 H HIS 53 H HIS 53 22.344 -0.864 -15.758 403 HA HIS 53 HA HIS 53 21.289 1.031 -13.990 404 1HB HIS 53 HB2 HIS 53 19.755 -1.419 -14.906 405 2HB HIS 53 HB3 HIS 53 19.137 0.196 -14.581 406 HD1 HIS 53 HD1 HIS 53 19.496 2.026 -16.623 407 HD2 HIS 53 HD2 HIS 53 20.829 -1.927 -17.277 408 HE1 HIS 53 HE1 HIS 53 20.038 1.820 -19.115 409 H ALA 54 H ALA 54 22.041 -2.395 -13.421 410 HA ALA 54 HA ALA 54 20.597 -2.774 -11.024 411 1HB ALA 54 HB1 ALA 54 22.205 -4.575 -10.575 412 2HB ALA 54 HB2 ALA 54 21.693 -4.601 -12.271 413 3HB ALA 54 HB3 ALA 54 23.292 -3.956 -11.831 414 H ASP 55 H ASP 55 23.619 -0.950 -11.607 415 HA ASP 55 HA ASP 55 24.509 -0.994 -8.875 416 1HB ASP 55 HB2 ASP 55 25.886 -0.333 -10.963 417 2HB ASP 55 HB3 ASP 55 25.069 1.205 -10.895 418 H ILE 56 H ILE 56 22.610 1.385 -10.803 419 HA ILE 56 HA ILE 56 22.156 3.106 -8.526 420 HB ILE 56 HB ILE 56 20.095 3.772 -10.136 421 1HG1 ILE 56 HG12 ILE 56 22.075 2.533 -12.058 422 2HG1 ILE 56 HG13 ILE 56 20.323 2.357 -11.952 423 1HG2 ILE 56 HG21 ILE 56 22.889 4.840 -10.413 424 2HG2 ILE 56 HG22 ILE 56 21.357 5.686 -10.746 425 3HG2 ILE 56 HG23 ILE 56 21.740 5.203 -9.105 426 1HD1 ILE 56 HD11 ILE 56 20.135 4.752 -12.688 427 2HD1 ILE 56 HD12 ILE 56 21.904 4.772 -12.913 428 3HD1 ILE 56 HD13 ILE 56 20.904 3.675 -13.879 429 H TYR 57 H TYR 57 20.294 0.347 -9.993 430 HA TYR 57 HA TYR 57 18.012 0.805 -8.382 431 1HB TYR 57 HB2 TYR 57 17.936 -0.825 -10.175 432 2HB TYR 57 HB3 TYR 57 19.188 -1.798 -9.407 433 HD1 TYR 57 HD1 TYR 57 16.041 -0.192 -8.006 434 HD2 TYR 57 HD2 TYR 57 18.257 -3.834 -8.718 435 HE1 TYR 57 HE1 TYR 57 14.369 -1.452 -6.725 436 HE2 TYR 57 HE2 TYR 57 16.548 -5.117 -7.478 437 HH TYR 57 HH TYR 57 14.542 -5.021 -6.290 438 H ASP 58 H ASP 58 21.002 -1.118 -7.634 439 HA ASP 58 HA ASP 58 20.173 -1.857 -5.021 440 1HB ASP 58 HB2 ASP 58 22.003 -2.984 -6.162 441 2HB ASP 58 HB3 ASP 58 22.956 -1.497 -6.189 442 H LYS 59 H LYS 59 22.270 0.894 -6.103 443 HA LYS 59 HA LYS 59 22.750 1.920 -3.504 444 1HB LYS 59 HB2 LYS 59 24.122 2.535 -5.346 445 2HB LYS 59 HB3 LYS 59 22.770 3.225 -6.249 446 1HG LYS 59 HG2 LYS 59 22.749 5.187 -5.081 447 2HG LYS 59 HG3 LYS 59 23.258 4.441 -3.553 448 1HD LYS 59 HD2 LYS 59 25.540 4.257 -4.245 449 2HD LYS 59 HD3 LYS 59 25.155 4.759 -5.896 450 1HE LYS 59 HE2 LYS 59 24.393 6.983 -5.010 451 2HE LYS 59 HE3 LYS 59 24.872 6.475 -3.385 452 1HZ LYS 59 HZ1 LYS 59 26.702 6.757 -5.701 453 2HZ LYS 59 HZ2 LYS 59 26.593 7.793 -4.445 454 3HZ LYS 59 HZ3 LYS 59 27.155 6.284 -4.199 455 H VAL 60 H VAL 60 20.160 2.794 -5.861 456 HA VAL 60 HA VAL 60 19.111 4.832 -4.125 457 HB VAL 60 HB VAL 60 17.918 3.523 -6.583 458 1HG1 VAL 60 HG11 VAL 60 16.446 5.497 -6.642 459 2HG1 VAL 60 HG12 VAL 60 16.212 4.639 -5.111 460 3HG1 VAL 60 HG13 VAL 60 17.173 6.112 -5.130 461 1HG2 VAL 60 HG21 VAL 60 20.131 4.776 -6.920 462 2HG2 VAL 60 HG22 VAL 60 18.758 5.444 -7.776 463 3HG2 VAL 60 HG23 VAL 60 19.345 6.212 -6.272 464 H SER 61 H SER 61 18.286 1.322 -4.652 465 HA SER 61 HA SER 61 16.073 1.396 -2.831 466 1HB SER 61 HB2 SER 61 17.987 -0.898 -3.414 467 2HB SER 61 HB3 SER 61 16.406 -1.013 -2.609 468 HG SER 61 HG SER 61 17.040 -0.364 -5.268 469 H GLY 62 H GLY 62 19.616 1.329 -2.293 470 1HA GLY 62 HA2 GLY 62 19.526 0.867 0.535 471 2HA GLY 62 HA3 GLY 62 20.821 1.656 -0.388 472 H ASP 63 H ASP 63 19.691 3.911 -1.416 473 HA ASP 63 HA ASP 63 19.545 5.776 0.687 474 1HB ASP 63 HB2 ASP 63 20.117 6.384 -1.568 475 2HB ASP 63 HB3 ASP 63 18.533 5.901 -2.169 476 H MET 64 H MET 64 16.859 4.283 -1.197 477 HA MET 64 HA MET 64 14.786 5.527 0.334 478 1HB MET 64 HB2 MET 64 14.816 2.969 -1.310 479 2HB MET 64 HB3 MET 64 13.371 3.768 -0.716 480 1HG MET 64 HG2 MET 64 15.285 5.035 -2.692 481 2HG MET 64 HG3 MET 64 13.706 4.354 -3.038 482 1HE MET 64 HE1 MET 64 14.707 8.489 -1.396 483 2HE MET 64 HE2 MET 64 15.642 7.065 -0.969 484 3HE MET 64 HE3 MET 64 15.528 7.553 -2.671 485 H GLN 65 H GLN 65 16.374 2.271 0.805 486 HA GLN 65 HA GLN 65 14.628 1.627 2.975 487 1HB GLN 65 HB2 GLN 65 17.282 0.640 1.939 488 2HB GLN 65 HB3 GLN 65 16.688 0.029 3.491 489 1HG GLN 65 HG2 GLN 65 14.671 -0.842 2.487 490 2HG GLN 65 HG3 GLN 65 15.050 -0.097 0.928 491 1HE2 GLN 65 HE22 GLN 65 17.221 -0.767 -0.021 492 2HE2 GLN 65 HE21 GLN 65 17.665 -2.471 0.094 493 H LYS 66 H LYS 66 17.694 3.461 2.835 494 HA LYS 66 HA LYS 66 18.116 3.739 5.649 495 1HB LYS 66 HB2 LYS 66 19.829 4.348 4.094 496 2HB LYS 66 HB3 LYS 66 18.740 5.357 3.180 497 1HG LYS 66 HG2 LYS 66 18.659 6.912 5.276 498 2HG LYS 66 HG3 LYS 66 20.029 5.954 5.854 499 1HD LYS 66 HD2 LYS 66 20.887 7.910 4.730 500 2HD LYS 66 HD3 LYS 66 21.213 6.514 3.682 501 1HE LYS 66 HE2 LYS 66 19.191 7.075 2.322 502 2HE LYS 66 HE3 LYS 66 18.841 8.433 3.386 503 1HZ LYS 66 HZ1 LYS 66 19.972 8.905 1.254 504 2HZ LYS 66 HZ2 LYS 66 20.740 9.560 2.566 505 3HZ LYS 66 HZ3 LYS 66 21.345 8.226 1.825 506 H GLN 67 H GLN 67 16.083 5.619 3.296 507 HA GLN 67 HA GLN 67 14.973 7.354 5.290 508 1HB GLN 67 HB2 GLN 67 13.758 6.407 2.657 509 2HB GLN 67 HB3 GLN 67 13.112 7.694 3.659 510 1HG GLN 67 HG2 GLN 67 15.985 7.896 2.651 511 2HG GLN 67 HG3 GLN 67 14.643 8.225 1.580 512 1HE2 GLN 67 HE22 GLN 67 14.127 10.362 1.483 513 2HE2 GLN 67 HE21 GLN 67 14.231 11.494 2.812 514 H GLY 68 H GLY 68 14.111 4.124 4.170 515 1HA GLY 68 HA2 GLY 68 13.467 2.668 6.138 516 2HA GLY 68 HA3 GLY 68 12.116 3.776 6.367 517 H CYS 69 H CYS 69 12.568 3.652 3.088 518 HA CYS 69 HA CYS 69 9.981 2.461 2.685 519 1HB CYS 69 HB2 CYS 69 12.151 3.507 0.859 520 2HB CYS 69 HB3 CYS 69 10.528 3.113 0.308 521 HG CYS 69 HG CYS 69 10.807 5.711 0.491 522 H ASP 70 H ASP 70 9.778 1.096 0.597 523 HA ASP 70 HA ASP 70 11.839 -1.005 0.262 524 1HB ASP 70 HB2 ASP 70 10.051 -2.057 1.580 525 2HB ASP 70 HB3 ASP 70 8.828 -1.429 0.466 526 H CYS 71 H CYS 71 11.817 -1.741 -2.063 527 HA CYS 71 HA CYS 71 10.428 0.123 -3.886 528 1HB CYS 71 HB2 CYS 71 13.478 -0.120 -3.792 529 2HB CYS 71 HB3 CYS 71 12.512 0.904 -4.864 530 HG CYS 71 HG CYS 71 11.267 1.760 -2.397 531 H GLU 72 H GLU 72 10.976 -0.264 -6.218 532 HA GLU 72 HA GLU 72 12.128 -2.861 -6.958 533 1HB GLU 72 HB2 GLU 72 9.846 -3.498 -6.438 534 2HB GLU 72 HB3 GLU 72 9.194 -2.081 -7.274 535 1HG GLU 72 HG2 GLU 72 9.922 -2.949 -9.428 536 2HG GLU 72 HG3 GLU 72 10.740 -4.311 -8.642 537 H CYS 73 H CYS 73 13.320 -2.394 -8.858 538 HA CYS 73 HA CYS 73 12.933 0.091 -10.320 539 1HB CYS 73 HB2 CYS 73 14.486 -1.053 -11.982 540 2HB CYS 73 HB3 CYS 73 15.155 -0.743 -10.382 541 HG CYS 73 HG CYS 73 13.674 -3.518 -11.387 542 H LEU 74 H LEU 74 11.302 0.434 -11.729 543 HA LEU 74 HA LEU 74 9.576 -1.756 -12.634 544 1HB LEU 74 HB2 LEU 74 9.664 1.204 -13.372 545 2HB LEU 74 HB3 LEU 74 8.429 0.056 -13.875 546 HG LEU 74 HG LEU 74 8.979 0.994 -11.029 547 1HD1 LEU 74 HD11 LEU 74 6.547 1.327 -12.829 548 2HD1 LEU 74 HD12 LEU 74 6.751 1.985 -11.195 549 3HD1 LEU 74 HD13 LEU 74 7.781 2.582 -12.508 550 1HD2 LEU 74 HD21 LEU 74 6.902 -0.324 -10.438 551 2HD2 LEU 74 HD22 LEU 74 6.999 -1.103 -12.028 552 3HD2 LEU 74 HD23 LEU 74 8.298 -1.326 -10.831 553 H GLY 75 H GLY 75 12.346 0.082 -13.821 554 1HA GLY 75 HA2 GLY 75 13.268 -1.788 -15.617 555 2HA GLY 75 HA3 GLY 75 12.227 -0.714 -16.570 556 H GLY 76 H GLY 76 14.579 -0.322 -17.505 557 1HA GLY 76 HA2 GLY 76 15.390 2.279 -16.402 558 2HA GLY 76 HA3 GLY 76 16.646 1.031 -16.489 559 H GLY 77 H GLY 77 17.470 2.893 -17.869 560 1HA GLY 77 HA2 GLY 77 17.481 2.286 -20.624 561 2HA GLY 77 HA3 GLY 77 16.361 3.633 -20.341 562 H ARG 78 H ARG 78 17.869 5.010 -21.514 563 HA ARG 78 HA ARG 78 20.220 5.865 -19.932 564 1HB ARG 78 HB2 ARG 78 20.737 4.389 -21.978 565 2HB ARG 78 HB3 ARG 78 20.101 5.713 -22.966 566 1HG ARG 78 HG2 ARG 78 21.919 7.190 -21.819 567 2HG ARG 78 HG3 ARG 78 22.548 5.684 -21.147 568 1HD ARG 78 HD2 ARG 78 23.823 6.091 -23.093 569 2HD ARG 78 HD3 ARG 78 22.673 4.827 -23.565 570 HE ARG 78 HE ARG 78 21.655 7.495 -24.101 571 1HH1 ARG 78 HH21 ARG 78 23.916 5.091 -25.431 572 2HH1 ARG 78 HH22 ARG 78 23.830 5.716 -27.036 573 1HH2 ARG 78 HH11 ARG 78 21.511 8.278 -26.146 574 2HH2 ARG 78 HH12 ARG 78 22.399 7.588 -27.477 575 H ILE 79 H ILE 79 20.780 8.046 -20.208 576 HA ILE 79 HA ILE 79 18.588 9.851 -21.095 577 HB ILE 79 HB ILE 79 20.680 9.963 -18.879 578 1HG1 ILE 79 HG12 ILE 79 17.644 10.357 -18.849 579 2HG1 ILE 79 HG13 ILE 79 18.453 8.846 -18.461 580 1HG2 ILE 79 HG21 ILE 79 20.661 12.185 -20.072 581 2HG2 ILE 79 HG22 ILE 79 18.902 12.258 -19.844 582 3HG2 ILE 79 HG23 ILE 79 20.004 12.317 -18.450 583 1HD1 ILE 79 HD11 ILE 79 19.628 9.987 -16.558 584 2HD1 ILE 79 HD12 ILE 79 18.654 11.441 -16.888 585 3HD1 ILE 79 HD13 ILE 79 17.858 9.942 -16.404 586 H SER 80 H SER 80 19.157 11.148 -22.768 587 HA SER 80 HA SER 80 21.956 11.063 -23.796 588 1HB SER 80 HB2 SER 80 19.405 10.737 -25.418 589 2HB SER 80 HB3 SER 80 21.071 10.578 -25.991 590 HG SER 80 HG SER 80 19.603 8.897 -24.250 591 H HIS 81 H HIS 81 22.453 12.859 -25.253 592 HA HIS 81 HA HIS 81 20.805 15.273 -25.100 593 1HB HIS 81 HB2 HIS 81 21.693 15.134 -22.789 594 2HB HIS 81 HB3 HIS 81 23.327 14.966 -23.399 595 HD1 HIS 81 HD1 HIS 81 20.729 17.731 -24.433 596 HD2 HIS 81 HD2 HIS 81 24.409 17.134 -22.453 597 HE1 HIS 81 HE1 HIS 81 21.648 20.031 -23.909 598 H GLN 82 H GLN 82 24.165 13.996 -25.478 599 HA GLN 82 HA GLN 82 25.899 14.590 -26.742 600 1HB GLN 82 HB2 GLN 82 23.718 14.595 -28.853 601 2HB GLN 82 HB3 GLN 82 25.452 14.508 -29.175 602 1HG GLN 82 HG2 GLN 82 24.876 12.301 -29.341 603 2HG GLN 82 HG3 GLN 82 25.442 12.380 -27.680 604 1HE2 GLN 82 HE22 GLN 82 22.519 12.233 -29.765 605 2HE2 GLN 82 HE21 GLN 82 21.465 11.603 -28.526 606 H SER 83 H SER 83 24.506 16.934 -25.488 607 HA SER 83 HA SER 83 24.300 19.159 -25.549 608 1HB SER 83 HB2 SER 83 26.898 19.061 -27.112 609 2HB SER 83 HB3 SER 83 26.308 20.384 -26.092 610 HG SER 83 HG SER 83 27.836 19.050 -25.015 611 H GLN 84 H GLN 84 22.915 17.772 -27.769 612 HA GLN 84 HA GLN 84 23.435 19.109 -30.215 613 1HB GLN 84 HB2 GLN 84 21.541 17.930 -31.071 614 2HB GLN 84 HB3 GLN 84 22.392 16.871 -29.951 615 1HG GLN 84 HG2 GLN 84 20.620 17.617 -28.185 616 2HG GLN 84 HG3 GLN 84 19.733 18.300 -29.546 617 1HE2 GLN 84 HE22 GLN 84 21.056 15.305 -28.170 618 2HE2 GLN 84 HE21 GLN 84 19.998 14.198 -29.038 619 H ASP 85 H ASP 85 21.265 19.922 -27.542 620 HA ASP 85 HA ASP 85 20.593 22.554 -28.469 621 1HB ASP 85 HB2 ASP 85 19.117 21.122 -29.957 622 2HB ASP 85 HB3 ASP 85 18.436 20.383 -28.511 623 H LYS 86 H LYS 86 18.745 23.321 -26.826 624 HA LYS 86 HA LYS 86 19.377 22.435 -24.103 625 1HB LYS 86 HB2 LYS 86 17.767 24.159 -23.406 626 2HB LYS 86 HB3 LYS 86 19.072 24.761 -24.417 627 1HG LYS 86 HG2 LYS 86 17.458 24.705 -26.393 628 2HG LYS 86 HG3 LYS 86 16.160 24.383 -25.245 629 1HD LYS 86 HD2 LYS 86 18.004 26.812 -25.222 630 2HD LYS 86 HD3 LYS 86 16.371 26.767 -25.898 631 1HE LYS 86 HE2 LYS 86 15.435 26.236 -23.679 632 2HE LYS 86 HE3 LYS 86 17.058 26.257 -22.970 633 1HZ LYS 86 HZ1 LYS 86 15.911 28.353 -22.624 634 2HZ LYS 86 HZ2 LYS 86 17.212 28.605 -23.571 635 3HZ LYS 86 HZ3 LYS 86 15.713 28.584 -24.225 636 H LYS 87 H LYS 87 18.804 20.187 -24.970 637 HA LYS 87 HA LYS 87 16.079 19.423 -24.183 638 1HB LYS 87 HB2 LYS 87 15.951 19.982 -26.602 639 2HB LYS 87 HB3 LYS 87 17.307 18.894 -26.932 640 1HG LYS 87 HG2 LYS 87 15.950 16.952 -26.255 641 2HG LYS 87 HG3 LYS 87 14.600 18.024 -25.818 642 1HD LYS 87 HD2 LYS 87 14.425 18.792 -28.151 643 2HD LYS 87 HD3 LYS 87 15.841 17.817 -28.603 644 1HE LYS 87 HE2 LYS 87 14.605 15.749 -27.936 645 2HE LYS 87 HE3 LYS 87 13.192 16.732 -27.549 646 1HZ LYS 87 HZ1 LYS 87 13.035 15.772 -29.756 647 2HZ LYS 87 HZ2 LYS 87 13.093 17.396 -29.885 648 3HZ LYS 87 HZ3 LYS 87 14.411 16.494 -30.242 649 H ILE 88 H ILE 88 16.059 17.272 -23.471 650 HA ILE 88 HA ILE 88 18.465 15.578 -23.766 651 HB ILE 88 HB ILE 88 17.153 16.359 -21.137 652 1HG1 ILE 88 HG12 ILE 88 19.981 16.531 -22.190 653 2HG1 ILE 88 HG13 ILE 88 18.893 17.866 -21.829 654 1HG2 ILE 88 HG21 ILE 88 18.395 14.664 -19.978 655 2HG2 ILE 88 HG22 ILE 88 17.383 13.887 -21.170 656 3HG2 ILE 88 HG23 ILE 88 19.126 14.093 -21.492 657 1HD1 ILE 88 HD11 ILE 88 20.477 17.774 -20.070 658 2HD1 ILE 88 HD12 ILE 88 18.947 17.163 -19.400 659 3HD1 ILE 88 HD13 ILE 88 20.257 16.035 -19.836 660 H HIS 89 H HIS 89 17.832 13.291 -23.597 661 HA HIS 89 HA HIS 89 14.945 12.824 -24.155 662 1HB HIS 89 HB2 HIS 89 16.318 13.163 -26.243 663 2HB HIS 89 HB3 HIS 89 17.284 11.761 -25.780 664 HD1 HIS 89 HD1 HIS 89 13.769 12.695 -27.016 665 HD2 HIS 89 HD2 HIS 89 16.183 9.334 -26.216 666 HE1 HIS 89 HE1 HIS 89 12.590 10.681 -28.068 667 H VAL 90 H VAL 90 14.219 10.722 -23.543 668 HA VAL 90 HA VAL 90 16.164 9.084 -21.986 669 HB VAL 90 HB VAL 90 13.316 9.665 -21.115 670 1HG1 VAL 90 HG11 VAL 90 14.131 8.849 -18.948 671 2HG1 VAL 90 HG12 VAL 90 14.544 7.667 -20.200 672 3HG1 VAL 90 HG13 VAL 90 15.793 8.745 -19.573 673 1HG2 VAL 90 HG21 VAL 90 15.811 11.213 -20.288 674 2HG2 VAL 90 HG22 VAL 90 14.346 11.864 -21.061 675 3HG2 VAL 90 HG23 VAL 90 14.262 11.244 -19.415 676 H TYR 91 H TYR 91 16.212 7.041 -22.812 677 HA TYR 91 HA TYR 91 13.820 5.641 -23.632 678 1HB TYR 91 HB2 TYR 91 14.131 5.490 -25.901 679 2HB TYR 91 HB3 TYR 91 14.425 7.180 -25.628 680 HD1 TYR 91 HD1 TYR 91 17.343 7.187 -24.759 681 HD2 TYR 91 HD2 TYR 91 15.298 4.929 -27.819 682 HE1 TYR 91 HE1 TYR 91 19.463 6.918 -25.976 683 HE2 TYR 91 HE2 TYR 91 17.419 4.685 -29.061 684 HH TYR 91 HH TYR 91 19.708 5.155 -29.096 685 H GLY 92 H GLY 92 14.693 3.340 -24.615 686 1HA GLY 92 HA2 GLY 92 16.917 2.172 -24.759 687 2HA GLY 92 HA3 GLY 92 17.192 2.658 -23.097 688 H TYR 93 H TYR 93 17.538 0.396 -22.774 689 HA TYR 93 HA TYR 93 15.199 -1.102 -21.890 690 1HB TYR 93 HB2 TYR 93 15.349 -1.757 -24.240 691 2HB TYR 93 HB3 TYR 93 17.089 -1.951 -24.127 692 HD1 TYR 93 HD1 TYR 93 18.087 -4.005 -23.387 693 HD2 TYR 93 HD2 TYR 93 13.823 -3.422 -23.179 694 HE1 TYR 93 HE1 TYR 93 17.783 -6.432 -23.080 695 HE2 TYR 93 HE2 TYR 93 13.505 -5.854 -22.782 696 HH TYR 93 HH TYR 93 16.250 -8.174 -22.749 697 H SER 94 H SER 94 15.913 -2.786 -20.409 698 HA SER 94 HA SER 94 18.782 -2.821 -19.626 699 1HB SER 94 HB2 SER 94 16.412 -2.471 -17.733 700 2HB SER 94 HB3 SER 94 18.122 -2.582 -17.282 701 HG SER 94 HG SER 94 18.479 -0.648 -18.419 702 H MET 95 H MET 95 19.201 -4.958 -20.149 703 HA MET 95 HA MET 95 17.255 -6.864 -20.565 704 1HB MET 95 HB2 MET 95 19.033 -8.502 -20.727 705 2HB MET 95 HB3 MET 95 19.532 -6.982 -21.467 706 1HG MET 95 HG2 MET 95 20.832 -6.427 -19.407 707 2HG MET 95 HG3 MET 95 20.361 -7.984 -18.714 708 1HE MET 95 HE1 MET 95 23.360 -6.976 -18.890 709 2HE MET 95 HE2 MET 95 22.875 -8.543 -18.200 710 3HE MET 95 HE3 MET 95 24.175 -8.467 -19.409 711 H ALA 96 H ALA 96 18.712 -6.118 -17.446 712 HA ALA 96 HA ALA 96 17.890 -8.589 -16.184 713 1HB ALA 96 HB1 ALA 96 18.631 -7.461 -14.124 714 2HB ALA 96 HB2 ALA 96 19.836 -7.279 -15.412 715 3HB ALA 96 HB3 ALA 96 18.761 -5.920 -14.991 716 H TYR 97 H TYR 97 16.203 -5.555 -16.860 717 HA TYR 97 HA TYR 97 14.068 -6.302 -14.898 718 1HB TYR 97 HB2 TYR 97 15.107 -3.496 -15.380 719 2HB TYR 97 HB3 TYR 97 13.961 -4.013 -14.152 720 HD1 TYR 97 HD1 TYR 97 15.071 -6.187 -12.711 721 HD2 TYR 97 HD2 TYR 97 17.160 -2.840 -14.463 722 HE1 TYR 97 HE1 TYR 97 16.924 -6.521 -11.114 723 HE2 TYR 97 HE2 TYR 97 19.013 -3.156 -12.851 724 HH TYR 97 HH TYR 97 19.013 -5.795 -10.407 725 H GLY 98 H GLY 98 14.736 -5.425 -18.135 726 1HA GLY 98 HA2 GLY 98 13.229 -5.188 -19.889 727 2HA GLY 98 HA3 GLY 98 11.891 -4.930 -18.763 728 HA PRO 99 HA PRO 99 13.642 -0.804 -20.293 729 1HB PRO 99 HB2 PRO 99 11.688 0.001 -22.009 730 2HB PRO 99 HB3 PRO 99 12.983 -1.120 -22.526 731 1HG PRO 99 HG2 PRO 99 10.156 -1.802 -21.699 732 2HG PRO 99 HG3 PRO 99 11.093 -2.428 -23.090 733 1HD PRO 99 HD2 PRO 99 10.838 -3.738 -20.653 734 2HD PRO 99 HD3 PRO 99 12.238 -3.953 -21.734 735 H ALA 100 H ALA 100 13.001 1.137 -19.274 736 HA ALA 100 HA ALA 100 10.724 1.044 -17.424 737 1HB ALA 100 HB1 ALA 100 12.516 3.317 -18.343 738 2HB ALA 100 HB2 ALA 100 11.289 3.433 -17.060 739 3HB ALA 100 HB3 ALA 100 12.698 2.395 -16.831 740 H GLN 101 H GLN 101 9.013 2.709 -17.560 741 HA GLN 101 HA GLN 101 7.659 2.806 -20.054 742 1HB GLN 101 HB2 GLN 101 7.322 4.599 -17.605 743 2HB GLN 101 HB3 GLN 101 6.166 4.401 -18.923 744 1HG GLN 101 HG2 GLN 101 5.217 2.917 -17.516 745 2HG GLN 101 HG3 GLN 101 6.399 1.806 -18.227 746 1HE2 GLN 101 HE22 GLN 101 5.289 3.291 -15.292 747 2HE2 GLN 101 HE21 GLN 101 6.560 2.683 -14.256 748 H HIS 102 H HIS 102 10.022 4.973 -18.638 749 HA HIS 102 HA HIS 102 10.957 6.903 -19.072 750 1HB HIS 102 HB2 HIS 102 10.267 6.339 -21.942 751 2HB HIS 102 HB3 HIS 102 11.495 7.474 -21.369 752 HD1 HIS 102 HD1 HIS 102 11.295 4.048 -22.634 753 HD2 HIS 102 HD2 HIS 102 13.298 5.995 -19.503 754 HE1 HIS 102 HE1 HIS 102 13.191 2.507 -21.907 755 H ALA 103 H ALA 103 7.689 6.803 -20.532 756 HA ALA 103 HA ALA 103 7.268 9.567 -20.771 757 1HB ALA 103 HB1 ALA 103 5.279 7.413 -19.914 758 2HB ALA 103 HB2 ALA 103 4.885 9.010 -20.596 759 3HB ALA 103 HB3 ALA 103 5.725 7.809 -21.589 760 H ILE 104 H ILE 104 7.145 7.481 -17.881 761 HA ILE 104 HA ILE 104 6.089 9.375 -16.023 762 HB ILE 104 HB ILE 104 8.164 7.190 -15.536 763 1HG1 ILE 104 HG12 ILE 104 6.115 6.250 -16.594 764 2HG1 ILE 104 HG13 ILE 104 6.471 5.639 -14.990 765 1HG2 ILE 104 HG21 ILE 104 6.327 8.672 -13.612 766 2HG2 ILE 104 HG22 ILE 104 7.227 7.198 -13.197 767 3HG2 ILE 104 HG23 ILE 104 8.100 8.672 -13.638 768 1HD1 ILE 104 HD11 ILE 104 4.376 7.761 -15.571 769 2HD1 ILE 104 HD12 ILE 104 4.073 6.018 -15.372 770 3HD1 ILE 104 HD13 ILE 104 4.698 6.957 -14.006 771 H SER 105 H SER 105 9.497 8.503 -16.887 772 HA SER 105 HA SER 105 10.830 10.294 -15.321 773 1HB SER 105 HB2 SER 105 11.634 9.502 -18.144 774 2HB SER 105 HB3 SER 105 12.680 9.922 -16.799 775 HG SER 105 HG SER 105 12.466 7.646 -17.107 776 H THR 106 H THR 106 9.767 10.863 -18.749 777 HA THR 106 HA THR 106 10.820 13.468 -18.846 778 HB THR 106 HB THR 106 9.091 13.773 -20.738 779 HG1 THR 106 HG1 THR 106 7.602 12.163 -20.140 780 1HG2 THR 106 HG21 THR 106 10.333 12.267 -22.193 781 2HG2 THR 106 HG22 THR 106 11.444 13.096 -21.090 782 3HG2 THR 106 HG23 THR 106 11.009 11.401 -20.794 783 H GLU 107 H GLU 107 7.524 12.464 -17.715 784 HA GLU 107 HA GLU 107 6.589 15.155 -17.478 785 1HB GLU 107 HB2 GLU 107 5.784 12.545 -16.131 786 2HB GLU 107 HB3 GLU 107 4.963 14.067 -15.802 787 1HG GLU 107 HG2 GLU 107 5.218 12.851 -18.587 788 2HG GLU 107 HG3 GLU 107 3.842 12.614 -17.518 789 H LYS 108 H LYS 108 8.208 12.936 -15.153 790 HA LYS 108 HA LYS 108 8.135 14.782 -12.948 791 1HB LYS 108 HB2 LYS 108 10.102 12.525 -13.557 792 2HB LYS 108 HB3 LYS 108 9.919 13.347 -12.012 793 1HG LYS 108 HG2 LYS 108 7.821 11.580 -13.312 794 2HG LYS 108 HG3 LYS 108 8.883 11.184 -11.976 795 1HD LYS 108 HD2 LYS 108 7.737 13.318 -10.839 796 2HD LYS 108 HD3 LYS 108 6.511 13.076 -12.081 797 1HE LYS 108 HE2 LYS 108 5.844 11.927 -10.042 798 2HE LYS 108 HE3 LYS 108 6.187 10.729 -11.302 799 1HZ LYS 108 HZ1 LYS 108 7.207 10.143 -9.144 800 2HZ LYS 108 HZ2 LYS 108 8.361 10.381 -10.268 801 3HZ LYS 108 HZ3 LYS 108 8.100 11.530 -9.162 802 H ILE 109 H ILE 109 10.613 14.153 -15.465 803 HA ILE 109 HA ILE 109 12.549 15.969 -14.438 804 HB ILE 109 HB ILE 109 12.038 14.705 -17.150 805 1HG1 ILE 109 HG12 ILE 109 14.386 14.384 -15.215 806 2HG1 ILE 109 HG13 ILE 109 12.930 13.406 -15.078 807 1HG2 ILE 109 HG21 ILE 109 14.368 16.508 -16.419 808 2HG2 ILE 109 HG22 ILE 109 14.271 15.524 -17.873 809 3HG2 ILE 109 HG23 ILE 109 13.142 16.860 -17.644 810 1HD1 ILE 109 HD11 ILE 109 14.858 13.427 -17.435 811 2HD1 ILE 109 HD12 ILE 109 14.549 12.118 -16.289 812 3HD1 ILE 109 HD13 ILE 109 13.286 12.593 -17.439 813 H LYS 110 H LYS 110 9.881 16.477 -16.891 814 HA LYS 110 HA LYS 110 10.578 19.225 -17.268 815 1HB LYS 110 HB2 LYS 110 7.958 17.730 -17.683 816 2HB LYS 110 HB3 LYS 110 8.152 19.458 -17.999 817 1HG LYS 110 HG2 LYS 110 10.066 18.929 -19.555 818 2HG LYS 110 HG3 LYS 110 9.720 17.216 -19.332 819 1HD LYS 110 HD2 LYS 110 8.744 17.961 -21.411 820 2HD LYS 110 HD3 LYS 110 7.448 17.546 -20.280 821 1HE LYS 110 HE2 LYS 110 7.071 19.909 -19.763 822 2HE LYS 110 HE3 LYS 110 8.472 20.394 -20.732 823 1HZ LYS 110 HZ1 LYS 110 6.216 20.631 -21.779 824 2HZ LYS 110 HZ2 LYS 110 7.343 19.915 -22.697 825 3HZ LYS 110 HZ3 LYS 110 6.166 19.011 -21.954 826 H ALA 111 H ALA 111 8.669 17.675 -14.652 827 HA ALA 111 HA ALA 111 7.789 20.205 -13.569 828 1HB ALA 111 HB1 ALA 111 7.289 18.937 -11.546 829 2HB ALA 111 HB2 ALA 111 6.725 18.048 -12.975 830 3HB ALA 111 HB3 ALA 111 8.210 17.545 -12.136 831 H LYS 112 H LYS 112 10.663 18.114 -12.949 832 HA LYS 112 HA LYS 112 11.734 19.791 -10.868 833 1HB LYS 112 HB2 LYS 112 12.123 17.373 -11.057 834 2HB LYS 112 HB3 LYS 112 13.036 17.622 -12.535 835 1HG LYS 112 HG2 LYS 112 14.589 17.332 -10.721 836 2HG LYS 112 HG3 LYS 112 14.670 19.007 -11.247 837 1HD LYS 112 HD2 LYS 112 13.321 19.732 -9.341 838 2HD LYS 112 HD3 LYS 112 13.106 18.065 -8.797 839 1HE LYS 112 HE2 LYS 112 15.879 19.263 -9.175 840 2HE LYS 112 HE3 LYS 112 14.940 19.649 -7.736 841 1HZ LYS 112 HZ1 LYS 112 16.417 17.774 -7.378 842 2HZ LYS 112 HZ2 LYS 112 14.869 17.335 -7.159 843 3HZ LYS 112 HZ3 LYS 112 15.668 16.867 -8.507 844 H TYR 113 H TYR 113 12.077 19.892 -14.367 845 HA TYR 113 HA TYR 113 13.338 21.035 -15.786 846 1HB TYR 113 HB2 TYR 113 13.081 23.258 -13.741 847 2HB TYR 113 HB3 TYR 113 13.717 23.461 -15.362 848 HD1 TYR 113 HD1 TYR 113 12.249 22.824 -17.375 849 HD2 TYR 113 HD2 TYR 113 10.730 23.527 -13.395 850 HE1 TYR 113 HE1 TYR 113 10.029 23.344 -18.326 851 HE2 TYR 113 HE2 TYR 113 8.500 24.058 -14.336 852 HH TYR 113 HH TYR 113 7.828 23.980 -17.870 853 HA PRO 114 HA PRO 114 17.499 20.485 -13.717 854 1HB PRO 114 HB2 PRO 114 18.261 18.067 -14.681 855 2HB PRO 114 HB3 PRO 114 17.243 18.202 -13.212 856 1HG PRO 114 HG2 PRO 114 16.366 17.649 -16.047 857 2HG PRO 114 HG3 PRO 114 15.887 16.794 -14.542 858 1HD PRO 114 HD2 PRO 114 14.374 18.801 -15.707 859 2HD PRO 114 HD3 PRO 114 14.393 18.478 -13.948 860 H ASP 115 H ASP 115 15.870 20.256 -16.778 861 HA ASP 115 HA ASP 115 17.861 21.864 -18.100 862 1HB ASP 115 HB2 ASP 115 18.381 19.390 -18.686 863 2HB ASP 115 HB3 ASP 115 16.862 19.404 -19.582 864 H TYR 116 H TYR 116 16.570 22.278 -20.477 865 HA TYR 116 HA TYR 116 14.402 23.897 -19.508 866 1HB TYR 116 HB2 TYR 116 15.913 24.672 -21.224 867 2HB TYR 116 HB3 TYR 116 15.538 23.302 -22.257 868 HD1 TYR 116 HD1 TYR 116 13.866 23.479 -23.909 869 HD2 TYR 116 HD2 TYR 116 13.939 26.302 -20.643 870 HE1 TYR 116 HE1 TYR 116 12.089 24.801 -25.018 871 HE2 TYR 116 HE2 TYR 116 12.166 27.632 -21.743 872 HH TYR 116 HH TYR 116 10.752 27.821 -23.587 873 H GLU 117 H GLU 117 14.485 21.040 -21.743 874 HA GLU 117 HA GLU 117 11.830 20.217 -20.947 875 1HB GLU 117 HB2 GLU 117 11.230 21.939 -22.603 876 2HB GLU 117 HB3 GLU 117 12.337 21.230 -23.794 877 1HG GLU 117 HG2 GLU 117 10.959 19.268 -24.020 878 2HG GLU 117 HG3 GLU 117 10.038 19.671 -22.566 879 H VAL 118 H VAL 118 11.383 18.034 -21.954 880 HA VAL 118 HA VAL 118 13.712 16.748 -23.157 881 HB VAL 118 HB VAL 118 13.580 14.861 -21.538 882 1HG1 VAL 118 HG11 VAL 118 14.167 17.395 -19.978 883 2HG1 VAL 118 HG12 VAL 118 15.005 15.820 -19.952 884 3HG1 VAL 118 HG13 VAL 118 15.146 16.893 -21.351 885 1HG2 VAL 118 HG21 VAL 118 11.223 15.382 -20.691 886 2HG2 VAL 118 HG22 VAL 118 12.433 15.010 -19.454 887 3HG2 VAL 118 HG23 VAL 118 11.938 16.692 -19.740 888 H THR 119 H THR 119 13.188 14.424 -23.736 889 HA THR 119 HA THR 119 10.364 13.982 -24.478 890 HB THR 119 HB THR 119 11.242 13.373 -26.823 891 HG1 THR 119 HG1 THR 119 13.388 14.963 -25.858 892 1HG2 THR 119 HG21 THR 119 11.298 16.329 -26.104 893 2HG2 THR 119 HG22 THR 119 10.993 15.607 -27.700 894 3HG2 THR 119 HG23 THR 119 9.834 15.363 -26.385 895 H TRP 120 H TRP 120 10.274 11.668 -25.591 896 HA TRP 120 HA TRP 120 12.301 9.865 -24.504 897 1HB TRP 120 HB2 TRP 120 10.704 8.408 -23.426 898 2HB TRP 120 HB3 TRP 120 10.606 9.985 -22.683 899 HD1 TRP 120 HD1 TRP 120 8.435 11.494 -23.913 900 HE1 TRP 120 HE1 TRP 120 6.017 10.723 -24.164 901 HE3 TRP 120 HE3 TRP 120 9.206 6.439 -23.824 902 HZ2 TRP 120 HZ2 TRP 120 4.597 8.212 -24.445 903 HZ3 TRP 120 HZ3 TRP 120 7.296 4.888 -23.987 904 HH2 TRP 120 HH2 TRP 120 4.990 5.751 -24.345 905 H ALA 121 H ALA 121 11.745 7.563 -25.205 906 HA ALA 121 HA ALA 121 9.918 7.358 -27.441 907 1HB ALA 121 HB1 ALA 121 12.049 7.896 -28.613 908 2HB ALA 121 HB2 ALA 121 12.876 6.588 -27.738 909 3HB ALA 121 HB3 ALA 121 11.593 6.205 -28.905 910 H ASN 122 H ASN 122 9.145 5.233 -27.612 911 HA ASN 122 HA ASN 122 9.399 3.680 -25.148 912 1HB ASN 122 HB2 ASN 122 7.209 4.325 -26.250 913 2HB ASN 122 HB3 ASN 122 7.619 3.240 -27.577 914 1HD2 ASN 122 HD22 ASN 122 5.910 1.722 -27.215 915 2HD2 ASN 122 HD21 ASN 122 5.812 0.745 -25.774 916 H ASP 123 H ASP 123 11.797 3.583 -26.716 917 HA ASP 123 HA ASP 123 12.093 0.777 -27.402 918 1HB ASP 123 HB2 ASP 123 11.033 2.036 -29.462 919 2HB ASP 123 HB3 ASP 123 12.627 2.754 -29.645 920 H GLY 124 H GLY 124 14.533 0.902 -28.687 921 1HA GLY 124 HA2 GLY 124 16.668 1.960 -28.628 922 2HA GLY 124 HA3 GLY 124 16.313 2.643 -27.038 923 H TYR 125 H TYR 125 18.633 1.084 -27.682 924 HA TYR 125 HA TYR 125 18.488 -0.976 -25.629 925 1HB TYR 125 HB2 TYR 125 19.406 -1.591 -28.476 926 2HB TYR 125 HB3 TYR 125 19.690 -2.612 -27.078 927 HD1 TYR 125 HD1 TYR 125 17.242 -1.615 -29.615 928 HD2 TYR 125 HD2 TYR 125 17.806 -3.772 -25.924 929 HE1 TYR 125 HE1 TYR 125 15.069 -2.758 -29.955 930 HE2 TYR 125 HE2 TYR 125 15.638 -4.914 -26.243 931 HH TYR 125 HH TYR 125 13.766 -5.160 -27.615 Start of MODEL 7 1 1H MET 1 H1 MET 1 13.236 9.827 19.096 2 2H MET 1 H2 MET 1 13.057 8.240 19.478 3 3H MET 1 H3 MET 1 13.901 8.678 18.144 4 HA MET 1 HA MET 1 11.768 7.851 17.501 5 1HB MET 1 HB2 MET 1 10.613 8.454 19.624 6 2HB MET 1 HB3 MET 1 10.653 10.160 19.160 7 1HG MET 1 HG2 MET 1 9.301 9.626 17.142 8 2HG MET 1 HG3 MET 1 9.252 7.930 17.621 9 1HE MET 1 HE1 MET 1 7.780 6.940 19.513 10 2HE MET 1 HE2 MET 1 8.628 7.908 20.742 11 3HE MET 1 HE3 MET 1 6.856 7.902 20.685 12 H ALA 2 H ALA 2 11.438 8.413 15.393 13 HA ALA 2 HA ALA 2 11.348 11.193 14.531 14 1HB ALA 2 HB1 ALA 2 13.442 9.250 13.425 15 2HB ALA 2 HB2 ALA 2 13.069 10.859 12.771 16 3HB ALA 2 HB3 ALA 2 13.790 10.709 14.382 17 H VAL 3 H VAL 3 10.663 11.222 12.178 18 HA VAL 3 HA VAL 3 9.699 8.750 11.027 19 HB VAL 3 HB VAL 3 7.875 9.371 12.574 20 1HG1 VAL 3 HG11 VAL 3 6.439 11.301 12.175 21 2HG1 VAL 3 HG12 VAL 3 8.080 11.827 12.569 22 3HG1 VAL 3 HG13 VAL 3 7.512 11.878 10.885 23 1HG2 VAL 3 HG21 VAL 3 7.429 8.136 10.446 24 2HG2 VAL 3 HG22 VAL 3 6.053 9.048 11.083 25 3HG2 VAL 3 HG23 VAL 3 6.950 9.680 9.699 26 H ALA 4 H ALA 4 8.879 9.219 8.771 27 HA ALA 4 HA ALA 4 9.556 11.751 7.547 28 1HB ALA 4 HB1 ALA 4 11.762 10.788 7.392 29 2HB ALA 4 HB2 ALA 4 11.128 9.201 6.957 30 3HB ALA 4 HB3 ALA 4 11.018 10.543 5.802 31 H ASP 5 H ASP 5 9.025 11.298 4.997 32 HA ASP 5 HA ASP 5 6.760 9.445 4.687 33 1HB ASP 5 HB2 ASP 5 5.727 11.415 5.751 34 2HB ASP 5 HB3 ASP 5 6.500 12.482 4.574 35 H LEU 6 H LEU 6 6.120 9.315 2.428 36 HA LEU 6 HA LEU 6 8.167 9.207 0.558 37 1HB LEU 6 HB2 LEU 6 5.159 9.554 0.208 38 2HB LEU 6 HB3 LEU 6 6.260 9.269 -1.116 39 HG LEU 6 HG LEU 6 5.672 7.345 1.152 40 1HD1 LEU 6 HD11 LEU 6 4.987 7.366 -1.829 41 2HD1 LEU 6 HD12 LEU 6 4.764 5.971 -0.768 42 3HD1 LEU 6 HD13 LEU 6 3.873 7.470 -0.463 43 1HD2 LEU 6 HD21 LEU 6 7.619 7.036 -1.170 44 2HD2 LEU 6 HD22 LEU 6 7.985 6.975 0.572 45 3HD2 LEU 6 HD23 LEU 6 7.030 5.698 -0.167 46 H ALA 7 H ALA 7 6.096 12.020 1.320 47 HA ALA 7 HA ALA 7 6.631 13.475 -1.047 48 1HB ALA 7 HB1 ALA 7 4.781 13.999 0.505 49 2HB ALA 7 HB2 ALA 7 5.958 14.509 1.741 50 3HB ALA 7 HB3 ALA 7 5.806 15.419 0.225 51 H LEU 8 H LEU 8 8.660 12.896 1.757 52 HA LEU 8 HA LEU 8 10.325 15.280 1.394 53 1HB LEU 8 HB2 LEU 8 10.845 12.754 3.015 54 2HB LEU 8 HB3 LEU 8 11.738 14.266 3.118 55 HG LEU 8 HG LEU 8 8.838 13.819 3.944 56 1HD1 LEU 8 HD11 LEU 8 11.303 14.517 5.594 57 2HD1 LEU 8 HD12 LEU 8 9.658 14.221 6.203 58 3HD1 LEU 8 HD13 LEU 8 10.585 12.904 5.464 59 1HD2 LEU 8 HD21 LEU 8 10.489 16.385 4.027 60 2HD2 LEU 8 HD22 LEU 8 9.012 16.101 3.076 61 3HD2 LEU 8 HD23 LEU 8 8.924 16.146 4.837 62 H ILE 9 H ILE 9 10.127 12.151 -0.093 63 HA ILE 9 HA ILE 9 12.897 11.619 -0.430 64 HB ILE 9 HB ILE 9 10.465 10.613 -1.950 65 1HG1 ILE 9 HG12 ILE 9 12.044 9.526 0.436 66 2HG1 ILE 9 HG13 ILE 9 10.386 10.146 0.481 67 1HG2 ILE 9 HG21 ILE 9 11.891 8.753 -2.696 68 2HG2 ILE 9 HG22 ILE 9 12.527 10.279 -3.278 69 3HG2 ILE 9 HG23 ILE 9 13.289 9.491 -1.884 70 1HD1 ILE 9 HD11 ILE 9 11.347 7.588 -0.807 71 2HD1 ILE 9 HD12 ILE 9 10.249 7.787 0.559 72 3HD1 ILE 9 HD13 ILE 9 9.722 8.271 -1.072 73 HA PRO 10 HA PRO 10 13.682 14.570 -3.839 74 1HB PRO 10 HB2 PRO 10 15.845 12.580 -4.524 75 2HB PRO 10 HB3 PRO 10 15.939 14.360 -4.397 76 1HG PRO 10 HG2 PRO 10 16.893 12.766 -2.411 77 2HG PRO 10 HG3 PRO 10 15.988 14.265 -2.022 78 1HD PRO 10 HD2 PRO 10 14.971 11.414 -2.042 79 2HD PRO 10 HD3 PRO 10 14.703 12.710 -0.836 80 H ASP 11 H ASP 11 12.142 14.453 -5.407 81 HA ASP 11 HA ASP 11 11.137 11.984 -6.395 82 1HB ASP 11 HB2 ASP 11 9.870 14.125 -6.053 83 2HB ASP 11 HB3 ASP 11 10.678 14.787 -7.480 84 H VAL 12 H VAL 12 13.372 14.360 -7.766 85 HA VAL 12 HA VAL 12 14.063 12.536 -10.002 86 HB VAL 12 HB VAL 12 13.620 15.552 -10.238 87 1HG1 VAL 12 HG11 VAL 12 14.388 13.487 -12.358 88 2HG1 VAL 12 HG12 VAL 12 14.026 15.205 -12.645 89 3HG1 VAL 12 HG13 VAL 12 15.449 14.761 -11.707 90 1HG2 VAL 12 HG21 VAL 12 11.819 14.974 -11.829 91 2HG2 VAL 12 HG22 VAL 12 12.012 13.252 -11.409 92 3HG2 VAL 12 HG23 VAL 12 11.447 14.423 -10.196 93 H ASP 13 H ASP 13 16.295 12.378 -10.166 94 HA ASP 13 HA ASP 13 17.985 14.597 -9.521 95 1HB ASP 13 HB2 ASP 13 17.744 13.573 -7.216 96 2HB ASP 13 HB3 ASP 13 18.371 12.064 -7.862 97 H ILE 14 H ILE 14 19.372 14.503 -11.225 98 HA ILE 14 HA ILE 14 20.330 11.939 -12.252 99 HB ILE 14 HB ILE 14 19.813 12.635 -14.594 100 1HG1 ILE 14 HG12 ILE 14 17.737 14.551 -13.432 101 2HG1 ILE 14 HG13 ILE 14 19.304 15.076 -14.064 102 1HG2 ILE 14 HG21 ILE 14 17.584 11.699 -14.642 103 2HG2 ILE 14 HG22 ILE 14 18.492 10.916 -13.353 104 3HG2 ILE 14 HG23 ILE 14 17.293 12.159 -12.951 105 1HD1 ILE 14 HD11 ILE 14 17.615 15.377 -15.762 106 2HD1 ILE 14 HD12 ILE 14 18.727 14.094 -16.280 107 3HD1 ILE 14 HD13 ILE 14 17.114 13.686 -15.649 108 H ASP 15 H ASP 15 22.217 12.224 -13.589 109 HA ASP 15 HA ASP 15 23.975 14.305 -12.680 110 1HB ASP 15 HB2 ASP 15 24.771 12.115 -13.345 111 2HB ASP 15 HB3 ASP 15 24.221 12.365 -15.006 112 H SER 16 H SER 16 24.643 16.216 -13.635 113 HA SER 16 HA SER 16 22.675 17.470 -15.281 114 1HB SER 16 HB2 SER 16 25.338 18.575 -14.318 115 2HB SER 16 HB3 SER 16 23.874 19.483 -14.730 116 HG SER 16 HG SER 16 24.127 19.220 -12.468 117 H ASP 17 H ASP 17 25.631 15.819 -16.234 118 HA ASP 17 HA ASP 17 25.584 17.044 -18.898 119 1HB ASP 17 HB2 ASP 17 26.813 18.789 -17.779 120 2HB ASP 17 HB3 ASP 17 27.825 17.618 -16.931 121 H GLY 18 H GLY 18 25.479 15.039 -19.868 122 1HA GLY 18 HA2 GLY 18 27.728 13.738 -20.609 123 2HA GLY 18 HA3 GLY 18 27.293 12.872 -19.130 124 H VAL 19 H VAL 19 27.253 11.171 -20.879 125 HA VAL 19 HA VAL 19 24.433 10.711 -21.707 126 HB VAL 19 HB VAL 19 27.014 9.797 -23.070 127 1HG1 VAL 19 HG11 VAL 19 24.125 9.010 -23.614 128 2HG1 VAL 19 HG12 VAL 19 25.487 8.667 -24.705 129 3HG1 VAL 19 HG13 VAL 19 25.443 7.943 -23.090 130 1HG2 VAL 19 HG21 VAL 19 24.728 11.534 -24.100 131 2HG2 VAL 19 HG22 VAL 19 26.369 12.089 -23.715 132 3HG2 VAL 19 HG23 VAL 19 26.113 10.969 -25.056 133 H PHE 20 H PHE 20 23.608 8.997 -20.513 134 HA PHE 20 HA PHE 20 25.397 7.120 -19.141 135 1HB PHE 20 HB2 PHE 20 24.583 7.897 -16.889 136 2HB PHE 20 HB3 PHE 20 25.719 8.953 -17.700 137 HD1 PHE 20 HD1 PHE 20 25.212 11.221 -18.229 138 HD2 PHE 20 HD2 PHE 20 22.122 8.599 -16.757 139 HE1 PHE 20 HE1 PHE 20 23.718 13.169 -17.886 140 HE2 PHE 20 HE2 PHE 20 20.651 10.558 -16.374 141 HZ PHE 20 HZ PHE 20 21.436 12.840 -16.957 142 H LYS 21 H LYS 21 24.077 5.777 -17.527 143 HA LYS 21 HA LYS 21 21.553 5.027 -18.887 144 1HB LYS 21 HB2 LYS 21 23.314 3.570 -16.868 145 2HB LYS 21 HB3 LYS 21 21.776 2.954 -17.489 146 1HG LYS 21 HG2 LYS 21 22.619 2.891 -19.772 147 2HG LYS 21 HG3 LYS 21 24.139 3.664 -19.280 148 1HD LYS 21 HD2 LYS 21 24.639 1.743 -17.803 149 2HD LYS 21 HD3 LYS 21 23.171 0.921 -18.372 150 1HE LYS 21 HE2 LYS 21 24.030 0.951 -20.691 151 2HE LYS 21 HE3 LYS 21 25.452 1.864 -20.169 152 1HZ LYS 21 HZ1 LYS 21 24.807 -0.910 -19.365 153 2HZ LYS 21 HZ2 LYS 21 26.003 -0.446 -20.372 154 3HZ LYS 21 HZ3 LYS 21 26.080 -0.041 -18.785 155 H TYR 22 H TYR 22 19.712 4.450 -17.507 156 HA TYR 22 HA TYR 22 19.529 5.923 -14.950 157 1HB TYR 22 HB2 TYR 22 18.381 7.576 -15.896 158 2HB TYR 22 HB3 TYR 22 18.503 6.840 -17.471 159 HD1 TYR 22 HD1 TYR 22 16.835 4.843 -17.903 160 HD2 TYR 22 HD2 TYR 22 16.198 7.982 -15.041 161 HE1 TYR 22 HE1 TYR 22 14.412 4.342 -17.912 162 HE2 TYR 22 HE2 TYR 22 13.740 7.560 -15.141 163 HH TYR 22 HH TYR 22 12.060 6.503 -16.307 164 H VAL 23 H VAL 23 17.404 5.387 -13.871 165 HA VAL 23 HA VAL 23 16.176 2.871 -14.617 166 HB VAL 23 HB VAL 23 18.227 2.291 -13.228 167 1HG1 VAL 23 HG11 VAL 23 16.620 3.471 -10.923 168 2HG1 VAL 23 HG12 VAL 23 18.135 2.563 -10.803 169 3HG1 VAL 23 HG13 VAL 23 18.106 4.152 -11.598 170 1HG2 VAL 23 HG21 VAL 23 16.386 0.718 -13.503 171 2HG2 VAL 23 HG22 VAL 23 17.140 0.580 -11.915 172 3HG2 VAL 23 HG23 VAL 23 15.568 1.393 -12.073 173 H LEU 24 H LEU 24 14.155 2.581 -13.424 174 HA LEU 24 HA LEU 24 13.092 5.074 -12.163 175 1HB LEU 24 HB2 LEU 24 12.337 4.569 -14.523 176 2HB LEU 24 HB3 LEU 24 11.614 3.083 -13.936 177 HG LEU 24 HG LEU 24 10.859 5.926 -13.089 178 1HD1 LEU 24 HD11 LEU 24 9.422 3.902 -14.862 179 2HD1 LEU 24 HD12 LEU 24 8.782 5.479 -14.367 180 3HD1 LEU 24 HD13 LEU 24 10.213 5.402 -15.405 181 1HD2 LEU 24 HD21 LEU 24 9.767 3.219 -12.241 182 2HD2 LEU 24 HD22 LEU 24 10.238 4.606 -11.226 183 3HD2 LEU 24 HD23 LEU 24 8.771 4.683 -12.199 184 H ILE 25 H ILE 25 12.558 4.594 -10.013 185 HA ILE 25 HA ILE 25 11.965 1.749 -9.433 186 HB ILE 25 HB ILE 25 13.436 1.468 -7.933 187 1HG1 ILE 25 HG12 ILE 25 13.372 4.260 -6.791 188 2HG1 ILE 25 HG13 ILE 25 12.306 2.954 -6.278 189 1HG2 ILE 25 HG21 ILE 25 15.609 2.599 -8.083 190 2HG2 ILE 25 HG22 ILE 25 14.894 2.404 -9.683 191 3HG2 ILE 25 HG23 ILE 25 14.851 3.989 -8.861 192 1HD1 ILE 25 HD11 ILE 25 15.310 3.031 -5.944 193 2HD1 ILE 25 HD12 ILE 25 14.054 3.037 -4.701 194 3HD1 ILE 25 HD13 ILE 25 14.299 1.579 -5.682 195 H ARG 26 H ARG 26 10.332 1.263 -8.174 196 HA ARG 26 HA ARG 26 8.400 3.376 -7.424 197 1HB ARG 26 HB2 ARG 26 7.736 1.221 -8.575 198 2HB ARG 26 HB3 ARG 26 8.283 0.334 -7.151 199 1HG ARG 26 HG2 ARG 26 6.549 1.570 -5.786 200 2HG ARG 26 HG3 ARG 26 6.054 2.425 -7.255 201 1HD ARG 26 HD2 ARG 26 4.519 0.607 -6.902 202 2HD ARG 26 HD3 ARG 26 5.519 0.200 -8.301 203 HE ARG 26 HE ARG 26 6.260 -0.773 -5.575 204 1HH1 ARG 26 HH21 ARG 26 5.085 -1.682 -8.812 205 2HH1 ARG 26 HH22 ARG 26 5.294 -3.371 -8.540 206 1HH2 ARG 26 HH11 ARG 26 6.409 -2.930 -5.182 207 2HH2 ARG 26 HH12 ARG 26 6.092 -4.114 -6.410 208 H VAL 27 H VAL 27 7.817 3.634 -5.217 209 HA VAL 27 HA VAL 27 9.525 2.404 -3.132 210 HB VAL 27 HB VAL 27 8.744 5.349 -3.318 211 1HG1 VAL 27 HG11 VAL 27 10.802 3.935 -1.577 212 2HG1 VAL 27 HG12 VAL 27 10.433 5.664 -1.570 213 3HG1 VAL 27 HG13 VAL 27 9.209 4.514 -1.034 214 1HG2 VAL 27 HG21 VAL 27 11.436 4.146 -4.084 215 2HG2 VAL 27 HG22 VAL 27 10.317 5.028 -5.153 216 3HG2 VAL 27 HG23 VAL 27 11.116 5.880 -3.838 217 H HIS 28 H HIS 28 8.313 1.947 -1.283 218 HA HIS 28 HA HIS 28 5.370 2.555 -1.279 219 1HB HIS 28 HB2 HIS 28 6.973 0.289 -0.037 220 2HB HIS 28 HB3 HIS 28 5.234 0.528 0.112 221 HD1 HIS 28 HD1 HIS 28 3.902 0.498 -2.449 222 HD2 HIS 28 HD2 HIS 28 7.754 -1.167 -2.094 223 HE1 HIS 28 HE1 HIS 28 4.138 -1.149 -4.351 224 H SER 29 H SER 29 4.465 3.333 0.615 225 HA SER 29 HA SER 29 6.081 4.968 2.288 226 1HB SER 29 HB2 SER 29 3.246 4.039 2.777 227 2HB SER 29 HB3 SER 29 4.045 5.414 3.541 228 HG SER 29 HG SER 29 3.388 5.068 0.796 229 H ALA 30 H ALA 30 7.654 3.739 3.278 230 HA ALA 30 HA ALA 30 6.737 2.644 5.836 231 1HB ALA 30 HB1 ALA 30 7.081 0.664 4.413 232 2HB ALA 30 HB2 ALA 30 8.745 1.172 4.079 233 3HB ALA 30 HB3 ALA 30 8.265 0.725 5.725 234 HA PRO 31 HA PRO 31 11.000 5.128 5.787 235 1HB PRO 31 HB2 PRO 31 9.233 7.493 6.335 236 2HB PRO 31 HB3 PRO 31 10.908 7.442 5.681 237 1HG PRO 31 HG2 PRO 31 8.753 7.764 4.043 238 2HG PRO 31 HG3 PRO 31 10.174 6.803 3.564 239 1HD PRO 31 HD2 PRO 31 7.477 5.861 4.475 240 2HD PRO 31 HD3 PRO 31 8.642 5.110 3.343 241 H ARG 32 H ARG 32 11.944 5.202 7.703 242 HA ARG 32 HA ARG 32 12.348 4.596 9.822 243 1HB ARG 32 HB2 ARG 32 10.258 6.701 10.441 244 2HB ARG 32 HB3 ARG 32 11.568 6.189 11.499 245 1HG ARG 32 HG2 ARG 32 11.885 7.688 8.860 246 2HG ARG 32 HG3 ARG 32 12.074 8.341 10.486 247 1HD ARG 32 HD2 ARG 32 13.966 6.687 10.837 248 2HD ARG 32 HD3 ARG 32 13.877 6.304 9.115 249 HE ARG 32 HE ARG 32 15.042 8.614 10.375 250 1HH1 ARG 32 HH22 ARG 32 13.575 7.556 7.308 251 2HH1 ARG 32 HH21 ARG 32 14.050 8.987 6.448 252 1HH2 ARG 32 HH11 ARG 32 15.801 10.408 9.180 253 2HH2 ARG 32 HH12 ARG 32 15.449 10.569 7.505 254 H SER 33 H SER 33 10.076 3.047 8.537 255 HA SER 33 HA SER 33 8.454 1.612 9.008 256 1HB SER 33 HB2 SER 33 9.847 1.252 11.685 257 2HB SER 33 HB3 SER 33 8.811 0.085 10.849 258 HG SER 33 HG SER 33 11.046 -0.335 10.537 259 H GLY 34 H GLY 34 7.888 4.423 9.628 260 1HA GLY 34 HA2 GLY 34 5.644 4.079 11.557 261 2HA GLY 34 HA3 GLY 34 6.899 5.286 11.869 262 H ALA 35 H ALA 35 6.464 5.091 8.505 263 HA ALA 35 HA ALA 35 5.209 7.583 8.200 264 1HB ALA 35 HB1 ALA 35 4.897 6.872 5.840 265 2HB ALA 35 HB2 ALA 35 5.313 5.205 6.292 266 3HB ALA 35 HB3 ALA 35 6.520 6.513 6.454 267 HA PRO 36 HA PRO 36 1.108 6.748 9.324 268 1HB PRO 36 HB2 PRO 36 -0.335 8.756 8.151 269 2HB PRO 36 HB3 PRO 36 0.940 9.053 9.368 270 1HG PRO 36 HG2 PRO 36 1.211 9.139 6.341 271 2HG PRO 36 HG3 PRO 36 1.693 10.398 7.526 272 1HD PRO 36 HD2 PRO 36 3.486 8.597 6.575 273 2HD PRO 36 HD3 PRO 36 3.524 9.112 8.287 274 H ALA 37 H ALA 37 1.831 5.845 6.142 275 HA ALA 37 HA ALA 37 -0.855 4.733 5.650 276 1HB ALA 37 HB1 ALA 37 0.516 6.690 3.744 277 2HB ALA 37 HB2 ALA 37 -1.046 5.875 3.483 278 3HB ALA 37 HB3 ALA 37 -0.882 7.080 4.769 279 H ALA 38 H ALA 38 -0.667 3.745 3.243 280 HA ALA 38 HA ALA 38 1.981 2.511 2.754 281 1HB ALA 38 HB1 ALA 38 -0.626 0.967 2.738 282 2HB ALA 38 HB2 ALA 38 0.998 0.364 2.316 283 3HB ALA 38 HB3 ALA 38 0.644 0.846 3.986 284 H GLU 39 H GLU 39 0.951 4.835 1.597 285 HA GLU 39 HA GLU 39 -0.056 4.169 -1.051 286 1HB GLU 39 HB2 GLU 39 1.193 6.711 0.104 287 2HB GLU 39 HB3 GLU 39 0.559 6.566 -1.540 288 1HG GLU 39 HG2 GLU 39 -1.684 5.974 -0.605 289 2HG GLU 39 HG3 GLU 39 -1.060 6.251 1.021 290 H SER 40 H SER 40 1.405 4.928 -2.989 291 HA SER 40 HA SER 40 4.244 4.256 -2.564 292 1HB SER 40 HB2 SER 40 2.647 2.982 -4.799 293 2HB SER 40 HB3 SER 40 4.285 2.595 -4.268 294 HG SER 40 HG SER 40 1.849 2.120 -2.873 295 H LYS 41 H LYS 41 5.574 4.901 -4.405 296 HA LYS 41 HA LYS 41 4.462 6.731 -6.392 297 1HB LYS 41 HB2 LYS 41 5.765 8.673 -5.708 298 2HB LYS 41 HB3 LYS 41 4.645 8.202 -4.459 299 1HG LYS 41 HG2 LYS 41 6.447 8.654 -3.174 300 2HG LYS 41 HG3 LYS 41 6.661 6.927 -3.386 301 1HD LYS 41 HD2 LYS 41 8.784 7.780 -3.552 302 2HD LYS 41 HD3 LYS 41 8.376 7.557 -5.241 303 1HE LYS 41 HE2 LYS 41 8.133 10.204 -3.701 304 2HE LYS 41 HE3 LYS 41 9.572 9.709 -4.584 305 1HZ LYS 41 HZ1 LYS 41 8.318 11.098 -6.047 306 2HZ LYS 41 HZ2 LYS 41 8.173 9.612 -6.622 307 3HZ LYS 41 HZ3 LYS 41 6.926 10.291 -5.773 308 H GLU 42 H GLU 42 6.301 7.538 -7.852 309 HA GLU 42 HA GLU 42 8.438 5.454 -8.036 310 1HB GLU 42 HB2 GLU 42 7.043 7.080 -10.208 311 2HB GLU 42 HB3 GLU 42 8.449 6.064 -10.447 312 1HG GLU 42 HG2 GLU 42 6.638 4.743 -11.159 313 2HG GLU 42 HG3 GLU 42 7.104 4.087 -9.595 314 H ILE 43 H ILE 43 10.562 6.209 -8.670 315 HA ILE 43 HA ILE 43 10.958 9.138 -8.817 316 HB ILE 43 HB ILE 43 13.031 8.955 -7.491 317 1HG1 ILE 43 HG12 ILE 43 12.037 6.207 -6.643 318 2HG1 ILE 43 HG13 ILE 43 13.431 6.513 -7.684 319 1HG2 ILE 43 HG21 ILE 43 11.991 9.201 -5.374 320 2HG2 ILE 43 HG22 ILE 43 10.812 9.727 -6.578 321 3HG2 ILE 43 HG23 ILE 43 10.653 8.117 -5.824 322 1HD1 ILE 43 HD11 ILE 43 14.544 7.734 -5.815 323 2HD1 ILE 43 HD12 ILE 43 13.175 7.327 -4.754 324 3HD1 ILE 43 HD13 ILE 43 14.187 6.045 -5.423 325 H VAL 44 H VAL 44 12.887 9.738 -9.871 326 HA VAL 44 HA VAL 44 13.721 7.824 -12.013 327 HB VAL 44 HB VAL 44 12.955 10.769 -11.913 328 1HG1 VAL 44 HG11 VAL 44 13.518 10.958 -14.326 329 2HG1 VAL 44 HG12 VAL 44 14.935 10.823 -13.281 330 3HG1 VAL 44 HG13 VAL 44 14.396 9.421 -14.220 331 1HG2 VAL 44 HG21 VAL 44 11.155 9.049 -12.237 332 2HG2 VAL 44 HG22 VAL 44 11.317 10.167 -13.588 333 3HG2 VAL 44 HG23 VAL 44 11.971 8.520 -13.721 334 H ARG 45 H ARG 45 15.889 7.408 -12.079 335 HA ARG 45 HA ARG 45 17.845 9.302 -10.852 336 1HB ARG 45 HB2 ARG 45 17.746 6.263 -10.542 337 2HB ARG 45 HB3 ARG 45 19.066 7.278 -9.999 338 1HG ARG 45 HG2 ARG 45 16.237 7.315 -8.855 339 2HG ARG 45 HG3 ARG 45 17.609 6.433 -8.229 340 1HD ARG 45 HD2 ARG 45 17.772 8.286 -6.877 341 2HD ARG 45 HD3 ARG 45 18.775 8.854 -8.211 342 HE ARG 45 HE ARG 45 16.755 9.965 -9.118 343 1HH1 ARG 45 HH21 ARG 45 16.901 9.526 -5.565 344 2HH1 ARG 45 HH22 ARG 45 15.403 10.379 -5.321 345 1HH2 ARG 45 HH11 ARG 45 14.800 10.925 -8.731 346 2HH2 ARG 45 HH12 ARG 45 14.256 11.240 -7.089 347 H GLY 46 H GLY 46 19.909 9.257 -11.949 348 1HA GLY 46 HA2 GLY 46 20.807 7.143 -13.540 349 2HA GLY 46 HA3 GLY 46 20.029 8.295 -14.640 350 H TYR 47 H TYR 47 22.987 7.464 -13.865 351 HA TYR 47 HA TYR 47 24.072 10.169 -14.038 352 1HB TYR 47 HB2 TYR 47 25.035 8.401 -11.772 353 2HB TYR 47 HB3 TYR 47 25.394 10.092 -12.038 354 HD1 TYR 47 HD1 TYR 47 22.885 7.653 -10.909 355 HD2 TYR 47 HD2 TYR 47 23.940 11.821 -11.052 356 HE1 TYR 47 HE1 TYR 47 21.177 8.129 -9.168 357 HE2 TYR 47 HE2 TYR 47 22.263 12.313 -9.299 358 HH TYR 47 HH TYR 47 20.751 11.408 -7.776 359 H LYS 48 H LYS 48 26.309 10.136 -14.703 360 HA LYS 48 HA LYS 48 27.018 7.846 -16.250 361 1HB LYS 48 HB2 LYS 48 29.151 9.062 -16.678 362 2HB LYS 48 HB3 LYS 48 27.686 9.946 -17.072 363 1HG LYS 48 HG2 LYS 48 27.902 11.300 -15.021 364 2HG LYS 48 HG3 LYS 48 29.379 10.415 -14.582 365 1HD LYS 48 HD2 LYS 48 30.478 11.180 -16.638 366 2HD LYS 48 HD3 LYS 48 29.012 12.000 -17.181 367 1HE LYS 48 HE2 LYS 48 30.452 12.713 -14.589 368 2HE LYS 48 HE3 LYS 48 30.868 13.428 -16.149 369 1HZ LYS 48 HZ1 LYS 48 28.220 13.670 -14.827 370 2HZ LYS 48 HZ2 LYS 48 29.348 14.840 -14.993 371 3HZ LYS 48 HZ3 LYS 48 28.577 14.259 -16.313 372 H TRP 49 H TRP 49 27.689 8.470 -12.859 373 HA TRP 49 HA TRP 49 29.900 6.614 -12.790 374 1HB TRP 49 HB2 TRP 49 29.454 6.550 -10.331 375 2HB TRP 49 HB3 TRP 49 29.893 8.084 -11.036 376 HD1 TRP 49 HD1 TRP 49 28.548 10.084 -10.335 377 HE1 TRP 49 HE1 TRP 49 26.424 10.523 -8.999 378 HE3 TRP 49 HE3 TRP 49 26.801 5.273 -9.979 379 HZ2 TRP 49 HZ2 TRP 49 24.238 8.974 -7.866 380 HZ3 TRP 49 HZ3 TRP 49 24.647 4.815 -8.900 381 HH2 TRP 49 HH2 TRP 49 23.337 6.657 -7.832 382 H ALA 50 H ALA 50 26.365 6.119 -12.919 383 HA ALA 50 HA ALA 50 26.692 3.298 -12.154 384 1HB ALA 50 HB1 ALA 50 24.295 3.144 -12.647 385 2HB ALA 50 HB2 ALA 50 24.696 4.322 -11.393 386 3HB ALA 50 HB3 ALA 50 24.264 4.883 -13.037 387 H GLU 51 H GLU 51 28.188 2.661 -13.739 388 HA GLU 51 HA GLU 51 27.713 2.866 -16.560 389 1HB GLU 51 HB2 GLU 51 29.384 0.891 -14.942 390 2HB GLU 51 HB3 GLU 51 29.439 1.069 -16.703 391 1HG GLU 51 HG2 GLU 51 30.090 3.472 -16.404 392 2HG GLU 51 HG3 GLU 51 30.157 3.209 -14.659 393 H TYR 52 H TYR 52 25.970 1.093 -14.233 394 HA TYR 52 HA TYR 52 24.612 -0.439 -16.303 395 1HB TYR 52 HB2 TYR 52 24.606 -2.432 -14.596 396 2HB TYR 52 HB3 TYR 52 25.850 -2.252 -15.814 397 HD1 TYR 52 HD1 TYR 52 28.078 -1.301 -15.227 398 HD2 TYR 52 HD2 TYR 52 25.214 -2.461 -12.244 399 HE1 TYR 52 HE1 TYR 52 29.909 -1.429 -13.542 400 HE2 TYR 52 HE2 TYR 52 27.013 -2.605 -10.543 401 HH TYR 52 HH TYR 52 30.453 -1.887 -11.319 402 H HIS 53 H HIS 53 22.437 -0.763 -15.742 403 HA HIS 53 HA HIS 53 21.242 1.158 -14.098 404 1HB HIS 53 HB2 HIS 53 19.889 -1.452 -14.842 405 2HB HIS 53 HB3 HIS 53 19.162 0.143 -14.659 406 HD1 HIS 53 HD1 HIS 53 19.449 1.814 -16.836 407 HD2 HIS 53 HD2 HIS 53 21.089 -2.060 -17.136 408 HE1 HIS 53 HE1 HIS 53 20.144 1.487 -19.280 409 H ALA 54 H ALA 54 22.183 -2.191 -13.334 410 HA ALA 54 HA ALA 54 20.749 -2.429 -10.897 411 1HB ALA 54 HB1 ALA 54 22.328 -4.239 -10.381 412 2HB ALA 54 HB2 ALA 54 21.767 -4.352 -12.058 413 3HB ALA 54 HB3 ALA 54 23.393 -3.722 -11.701 414 H ASP 55 H ASP 55 23.683 -0.563 -11.649 415 HA ASP 55 HA ASP 55 24.682 -0.496 -8.947 416 1HB ASP 55 HB2 ASP 55 25.992 0.139 -11.064 417 2HB ASP 55 HB3 ASP 55 25.078 1.625 -11.088 418 H ILE 56 H ILE 56 22.664 1.768 -10.898 419 HA ILE 56 HA ILE 56 22.224 3.561 -8.695 420 HB ILE 56 HB ILE 56 20.068 4.068 -10.264 421 1HG1 ILE 56 HG12 ILE 56 22.054 2.830 -12.187 422 2HG1 ILE 56 HG13 ILE 56 20.315 2.550 -12.006 423 1HG2 ILE 56 HG21 ILE 56 21.703 5.620 -9.381 424 2HG2 ILE 56 HG22 ILE 56 22.818 5.208 -10.702 425 3HG2 ILE 56 HG23 ILE 56 21.251 5.982 -11.038 426 1HD1 ILE 56 HD11 ILE 56 21.727 4.977 -13.174 427 2HD1 ILE 56 HD12 ILE 56 20.739 3.780 -14.020 428 3HD1 ILE 56 HD13 ILE 56 19.969 4.901 -12.870 429 H TYR 57 H TYR 57 20.381 0.707 -9.951 430 HA TYR 57 HA TYR 57 18.187 1.170 -8.195 431 1HB TYR 57 HB2 TYR 57 17.966 -0.455 -9.984 432 2HB TYR 57 HB3 TYR 57 19.263 -1.442 -9.311 433 HD1 TYR 57 HD1 TYR 57 18.515 -3.385 -8.227 434 HD2 TYR 57 HD2 TYR 57 16.118 0.196 -7.952 435 HE1 TYR 57 HE1 TYR 57 16.915 -4.572 -6.762 436 HE2 TYR 57 HE2 TYR 57 14.524 -0.979 -6.474 437 HH TYR 57 HH TYR 57 14.942 -4.414 -5.524 438 H ASP 58 H ASP 58 21.200 -0.832 -7.673 439 HA ASP 58 HA ASP 58 20.471 -1.654 -5.068 440 1HB ASP 58 HB2 ASP 58 22.254 -2.737 -6.325 441 2HB ASP 58 HB3 ASP 58 23.217 -1.255 -6.307 442 H LYS 59 H LYS 59 22.415 1.173 -6.150 443 HA LYS 59 HA LYS 59 23.062 2.195 -3.585 444 1HB LYS 59 HB2 LYS 59 24.188 2.916 -5.548 445 2HB LYS 59 HB3 LYS 59 22.707 3.492 -6.311 446 1HG LYS 59 HG2 LYS 59 22.667 5.464 -5.177 447 2HG LYS 59 HG3 LYS 59 23.371 4.782 -3.692 448 1HD LYS 59 HD2 LYS 59 25.580 4.733 -4.638 449 2HD LYS 59 HD3 LYS 59 24.972 5.181 -6.239 450 1HE LYS 59 HE2 LYS 59 24.162 7.363 -5.274 451 2HE LYS 59 HE3 LYS 59 24.900 6.918 -3.728 452 1HZ LYS 59 HZ1 LYS 59 26.356 8.333 -5.032 453 2HZ LYS 59 HZ2 LYS 59 27.054 6.872 -4.860 454 3HZ LYS 59 HZ3 LYS 59 26.356 7.285 -6.286 455 H VAL 60 H VAL 60 20.260 3.021 -5.740 456 HA VAL 60 HA VAL 60 19.346 4.874 -3.714 457 HB VAL 60 HB VAL 60 18.173 4.187 -6.407 458 1HG1 VAL 60 HG11 VAL 60 16.878 6.290 -6.061 459 2HG1 VAL 60 HG12 VAL 60 16.458 5.098 -4.837 460 3HG1 VAL 60 HG13 VAL 60 17.541 6.430 -4.414 461 1HG2 VAL 60 HG21 VAL 60 20.448 5.207 -6.492 462 2HG2 VAL 60 HG22 VAL 60 19.278 6.405 -6.963 463 3HG2 VAL 60 HG23 VAL 60 19.950 6.457 -5.335 464 H SER 61 H SER 61 18.200 1.583 -4.745 465 HA SER 61 HA SER 61 15.979 1.682 -2.922 466 1HB SER 61 HB2 SER 61 15.992 -0.760 -3.020 467 2HB SER 61 HB3 SER 61 16.075 -0.033 -4.631 468 HG SER 61 HG SER 61 18.215 -0.513 -4.753 469 H GLY 62 H GLY 62 19.477 1.046 -2.472 470 1HA GLY 62 HA2 GLY 62 19.407 0.203 0.229 471 2HA GLY 62 HA3 GLY 62 20.733 1.061 -0.582 472 H ASP 63 H ASP 63 19.791 3.562 -1.146 473 HA ASP 63 HA ASP 63 19.734 4.844 1.383 474 1HB ASP 63 HB2 ASP 63 20.508 5.972 -0.673 475 2HB ASP 63 HB3 ASP 63 18.854 5.985 -1.299 476 H MET 64 H MET 64 17.009 4.183 -0.925 477 HA MET 64 HA MET 64 14.995 5.389 0.665 478 1HB MET 64 HB2 MET 64 14.818 2.912 -1.107 479 2HB MET 64 HB3 MET 64 13.449 3.830 -0.497 480 1HG MET 64 HG2 MET 64 15.433 4.896 -2.498 481 2HG MET 64 HG3 MET 64 13.803 4.330 -2.800 482 1HE MET 64 HE1 MET 64 15.898 6.957 -0.738 483 2HE MET 64 HE2 MET 64 15.956 7.254 -2.496 484 3HE MET 64 HE3 MET 64 15.159 8.419 -1.416 485 H GLN 65 H GLN 65 16.247 1.967 0.807 486 HA GLN 65 HA GLN 65 14.489 1.217 2.916 487 1HB GLN 65 HB2 GLN 65 17.117 0.176 1.821 488 2HB GLN 65 HB3 GLN 65 16.387 -0.568 3.246 489 1HG GLN 65 HG2 GLN 65 14.398 -1.185 2.047 490 2HG GLN 65 HG3 GLN 65 14.876 -0.254 0.623 491 1HE2 GLN 65 HE21 GLN 65 16.980 -0.929 -0.413 492 2HE2 GLN 65 HE22 GLN 65 17.346 -2.649 -0.494 493 H LYS 66 H LYS 66 17.725 2.796 2.963 494 HA LYS 66 HA LYS 66 18.058 2.719 5.799 495 1HB LYS 66 HB2 LYS 66 19.864 3.138 4.272 496 2HB LYS 66 HB3 LYS 66 19.066 4.553 3.600 497 1HG LYS 66 HG2 LYS 66 19.353 5.796 5.671 498 2HG LYS 66 HG3 LYS 66 20.034 4.359 6.462 499 1HD LYS 66 HD2 LYS 66 21.874 5.796 5.772 500 2HD LYS 66 HD3 LYS 66 21.864 4.316 4.805 501 1HE LYS 66 HE2 LYS 66 22.401 6.181 3.372 502 2HE LYS 66 HE3 LYS 66 20.852 5.488 2.914 503 1HZ LYS 66 HZ1 LYS 66 19.821 7.352 4.229 504 2HZ LYS 66 HZ2 LYS 66 21.311 8.037 4.328 505 3HZ LYS 66 HZ3 LYS 66 20.602 7.777 2.860 506 H GLN 67 H GLN 67 16.344 5.086 3.635 507 HA GLN 67 HA GLN 67 15.419 6.739 5.826 508 1HB GLN 67 HB2 GLN 67 14.127 6.283 3.096 509 2HB GLN 67 HB3 GLN 67 13.705 7.528 4.267 510 1HG GLN 67 HG2 GLN 67 16.121 8.368 4.094 511 2HG GLN 67 HG3 GLN 67 16.325 7.238 2.757 512 1HE2 GLN 67 HE22 GLN 67 16.576 8.608 0.979 513 2HE2 GLN 67 HE21 GLN 67 15.395 9.840 0.569 514 H GLY 68 H GLY 68 14.283 3.703 4.462 515 1HA GLY 68 HA2 GLY 68 13.507 2.246 6.375 516 2HA GLY 68 HA3 GLY 68 12.224 3.429 6.610 517 H CYS 69 H CYS 69 12.669 3.397 3.329 518 HA CYS 69 HA CYS 69 10.054 2.400 2.866 519 1HB CYS 69 HB2 CYS 69 12.302 2.960 0.927 520 2HB CYS 69 HB3 CYS 69 10.583 2.976 0.542 521 HG CYS 69 HG CYS 69 11.489 5.425 0.541 522 H ASP 70 H ASP 70 9.773 1.039 0.761 523 HA ASP 70 HA ASP 70 11.589 -1.271 0.490 524 1HB ASP 70 HB2 ASP 70 9.692 -2.132 1.800 525 2HB ASP 70 HB3 ASP 70 8.547 -1.393 0.674 526 H CYS 71 H CYS 71 11.731 -1.830 -1.813 527 HA CYS 71 HA CYS 71 10.373 0.024 -3.666 528 1HB CYS 71 HB2 CYS 71 13.418 -0.177 -3.468 529 2HB CYS 71 HB3 CYS 71 12.473 0.865 -4.542 530 HG CYS 71 HG CYS 71 11.162 1.694 -2.121 531 H GLU 72 H GLU 72 11.072 -0.334 -5.957 532 HA GLU 72 HA GLU 72 12.291 -2.899 -6.683 533 1HB GLU 72 HB2 GLU 72 9.381 -2.196 -7.339 534 2HB GLU 72 HB3 GLU 72 10.308 -3.379 -8.240 535 1HG GLU 72 HG2 GLU 72 9.496 -3.577 -5.319 536 2HG GLU 72 HG3 GLU 72 8.793 -4.436 -6.676 537 H CYS 73 H CYS 73 13.415 -2.511 -8.662 538 HA CYS 73 HA CYS 73 13.053 0.046 -10.053 539 1HB CYS 73 HB2 CYS 73 14.627 -1.092 -11.738 540 2HB CYS 73 HB3 CYS 73 15.294 -0.693 -10.164 541 HG CYS 73 HG CYS 73 13.961 -3.572 -11.094 542 H LEU 74 H LEU 74 11.335 0.329 -11.417 543 HA LEU 74 HA LEU 74 9.699 -1.956 -12.241 544 1HB LEU 74 HB2 LEU 74 9.557 0.991 -13.009 545 2HB LEU 74 HB3 LEU 74 8.368 -0.240 -13.405 546 HG LEU 74 HG LEU 74 9.027 0.833 -10.641 547 1HD1 LEU 74 HD11 LEU 74 6.682 1.585 -10.680 548 2HD1 LEU 74 HD12 LEU 74 7.561 2.237 -12.067 549 3HD1 LEU 74 HD13 LEU 74 6.458 0.864 -12.286 550 1HD2 LEU 74 HD21 LEU 74 7.198 -1.492 -11.394 551 2HD2 LEU 74 HD22 LEU 74 8.613 -1.538 -10.313 552 3HD2 LEU 74 HD23 LEU 74 7.170 -0.665 -9.825 553 H GLY 75 H GLY 75 12.327 -0.047 -13.580 554 1HA GLY 75 HA2 GLY 75 13.067 -1.834 -15.564 555 2HA GLY 75 HA3 GLY 75 11.986 -0.663 -16.342 556 H GLY 76 H GLY 76 14.196 -0.227 -17.457 557 1HA GLY 76 HA2 GLY 76 15.031 2.331 -16.424 558 2HA GLY 76 HA3 GLY 76 16.349 1.156 -16.371 559 H GLY 77 H GLY 77 17.331 2.660 -17.934 560 1HA GLY 77 HA2 GLY 77 17.170 2.037 -20.684 561 2HA GLY 77 HA3 GLY 77 16.119 3.429 -20.359 562 H ARG 78 H ARG 78 17.572 4.790 -21.565 563 HA ARG 78 HA ARG 78 20.128 5.492 -20.222 564 1HB ARG 78 HB2 ARG 78 20.470 3.790 -21.983 565 2HB ARG 78 HB3 ARG 78 19.637 4.824 -23.153 566 1HG ARG 78 HG2 ARG 78 21.476 6.491 -22.978 567 2HG ARG 78 HG3 ARG 78 22.288 5.453 -21.772 568 1HD ARG 78 HD2 ARG 78 22.411 3.623 -23.393 569 2HD ARG 78 HD3 ARG 78 21.515 4.589 -24.587 570 HE ARG 78 HE ARG 78 23.898 5.941 -23.716 571 1HH1 ARG 78 HH21 ARG 78 22.692 3.407 -25.936 572 2HH1 ARG 78 HH22 ARG 78 24.081 3.487 -26.969 573 1HH2 ARG 78 HH11 ARG 78 25.716 6.052 -25.144 574 2HH2 ARG 78 HH12 ARG 78 25.800 5.041 -26.532 575 H ILE 79 H ILE 79 20.907 7.605 -20.811 576 HA ILE 79 HA ILE 79 18.846 9.481 -21.796 577 HB ILE 79 HB ILE 79 20.347 9.457 -19.151 578 1HG1 ILE 79 HG12 ILE 79 17.417 9.739 -19.936 579 2HG1 ILE 79 HG13 ILE 79 18.164 8.325 -19.211 580 1HG2 ILE 79 HG21 ILE 79 20.639 11.738 -20.111 581 2HG2 ILE 79 HG22 ILE 79 18.888 11.843 -20.414 582 3HG2 ILE 79 HG23 ILE 79 19.535 11.792 -18.758 583 1HD1 ILE 79 HD11 ILE 79 16.901 9.426 -17.516 584 2HD1 ILE 79 HD12 ILE 79 18.617 9.682 -17.139 585 3HD1 ILE 79 HD13 ILE 79 17.642 10.992 -17.853 586 H SER 80 H SER 80 19.675 11.094 -23.017 587 HA SER 80 HA SER 80 22.599 11.449 -23.287 588 1HB SER 80 HB2 SER 80 20.736 10.836 -25.629 589 2HB SER 80 HB3 SER 80 22.480 11.128 -25.711 590 HG SER 80 HG SER 80 22.008 8.920 -25.807 591 H HIS 81 H HIS 81 23.068 13.374 -24.680 592 HA HIS 81 HA HIS 81 20.886 15.078 -25.509 593 1HB HIS 81 HB2 HIS 81 21.767 17.091 -24.339 594 2HB HIS 81 HB3 HIS 81 21.042 15.907 -23.267 595 HD1 HIS 81 HD1 HIS 81 24.755 15.622 -24.325 596 HD2 HIS 81 HD2 HIS 81 22.284 16.672 -21.083 597 HE1 HIS 81 HE1 HIS 81 26.298 15.956 -22.318 598 H GLN 82 H GLN 82 21.658 16.546 -27.152 599 HA GLN 82 HA GLN 82 24.500 16.494 -27.919 600 1HB GLN 82 HB2 GLN 82 22.205 15.292 -29.565 601 2HB GLN 82 HB3 GLN 82 23.692 15.865 -30.306 602 1HG GLN 82 HG2 GLN 82 23.569 13.614 -28.264 603 2HG GLN 82 HG3 GLN 82 23.639 13.421 -30.007 604 1HE2 GLN 82 HE22 GLN 82 25.504 14.243 -27.149 605 2HE2 GLN 82 HE21 GLN 82 27.069 14.304 -27.947 606 H SER 83 H SER 83 24.996 18.431 -28.995 607 HA SER 83 HA SER 83 23.084 20.508 -29.340 608 1HB SER 83 HB2 SER 83 25.702 20.144 -30.851 609 2HB SER 83 HB3 SER 83 24.891 21.666 -30.446 610 HG SER 83 HG SER 83 25.356 21.282 -28.263 611 H GLN 84 H GLN 84 23.859 17.730 -31.295 612 HA GLN 84 HA GLN 84 22.789 18.558 -33.810 613 1HB GLN 84 HB2 GLN 84 22.865 15.755 -32.597 614 2HB GLN 84 HB3 GLN 84 22.725 16.171 -34.303 615 1HG GLN 84 HG2 GLN 84 25.016 17.201 -34.207 616 2HG GLN 84 HG3 GLN 84 25.168 16.660 -32.533 617 1HE2 GLN 84 HE22 GLN 84 25.797 14.461 -32.124 618 2HE2 GLN 84 HE21 GLN 84 26.021 13.315 -33.419 619 H ASP 85 H ASP 85 21.224 17.828 -30.777 620 HA ASP 85 HA ASP 85 18.591 17.341 -32.117 621 1HB ASP 85 HB2 ASP 85 19.518 15.311 -31.121 622 2HB ASP 85 HB3 ASP 85 19.740 16.144 -29.577 623 H LYS 86 H LYS 86 20.322 18.911 -29.461 624 HA LYS 86 HA LYS 86 20.021 20.811 -28.421 625 1HB LYS 86 HB2 LYS 86 17.619 21.424 -30.169 626 2HB LYS 86 HB3 LYS 86 18.594 22.559 -29.233 627 1HG LYS 86 HG2 LYS 86 20.606 21.879 -30.579 628 2HG LYS 86 HG3 LYS 86 19.539 20.907 -31.614 629 1HD LYS 86 HD2 LYS 86 18.219 23.028 -32.074 630 2HD LYS 86 HD3 LYS 86 19.503 23.928 -31.255 631 1HE LYS 86 HE2 LYS 86 19.766 22.175 -33.745 632 2HE LYS 86 HE3 LYS 86 19.820 23.938 -33.696 633 1HZ LYS 86 HZ1 LYS 86 22.026 23.049 -33.834 634 2HZ LYS 86 HZ2 LYS 86 21.869 23.746 -32.370 635 3HZ LYS 86 HZ3 LYS 86 21.835 22.104 -32.518 636 H LYS 87 H LYS 87 18.384 18.301 -27.563 637 HA LYS 87 HA LYS 87 17.627 19.616 -25.137 638 1HB LYS 87 HB2 LYS 87 15.415 18.764 -24.832 639 2HB LYS 87 HB3 LYS 87 15.438 19.844 -26.197 640 1HG LYS 87 HG2 LYS 87 15.529 16.818 -26.526 641 2HG LYS 87 HG3 LYS 87 14.021 17.711 -26.311 642 1HD LYS 87 HD2 LYS 87 14.619 19.133 -28.302 643 2HD LYS 87 HD3 LYS 87 16.008 18.084 -28.573 644 1HE LYS 87 HE2 LYS 87 13.086 17.239 -28.652 645 2HE LYS 87 HE3 LYS 87 14.135 17.532 -30.044 646 1HZ LYS 87 HZ1 LYS 87 14.131 15.228 -29.693 647 2HZ LYS 87 HZ2 LYS 87 15.593 15.737 -29.135 648 3HZ LYS 87 HZ3 LYS 87 14.392 15.347 -28.079 649 H ILE 88 H ILE 88 16.833 17.738 -23.533 650 HA ILE 88 HA ILE 88 18.870 15.611 -23.749 651 HB ILE 88 HB ILE 88 16.854 16.282 -21.582 652 1HG1 ILE 88 HG12 ILE 88 19.822 16.945 -21.608 653 2HG1 ILE 88 HG13 ILE 88 18.534 18.103 -21.909 654 1HG2 ILE 88 HG21 ILE 88 19.307 14.459 -21.447 655 2HG2 ILE 88 HG22 ILE 88 18.198 14.809 -20.104 656 3HG2 ILE 88 HG23 ILE 88 17.623 13.898 -21.472 657 1HD1 ILE 88 HD11 ILE 88 19.068 16.675 -19.288 658 2HD1 ILE 88 HD12 ILE 88 19.218 18.394 -19.657 659 3HD1 ILE 88 HD13 ILE 88 17.609 17.645 -19.625 660 H HIS 89 H HIS 89 18.142 13.333 -23.656 661 HA HIS 89 HA HIS 89 15.346 12.845 -24.510 662 1HB HIS 89 HB2 HIS 89 16.966 13.120 -26.481 663 2HB HIS 89 HB3 HIS 89 17.765 11.653 -25.915 664 HD1 HIS 89 HD1 HIS 89 14.223 12.790 -27.047 665 HD2 HIS 89 HD2 HIS 89 16.770 9.439 -26.925 666 HE1 HIS 89 HE1 HIS 89 13.034 10.925 -28.339 667 H VAL 90 H VAL 90 14.606 10.764 -23.929 668 HA VAL 90 HA VAL 90 16.361 9.105 -22.181 669 HB VAL 90 HB VAL 90 13.386 9.625 -21.779 670 1HG1 VAL 90 HG11 VAL 90 13.764 8.639 -19.575 671 2HG1 VAL 90 HG12 VAL 90 14.331 7.532 -20.831 672 3HG1 VAL 90 HG13 VAL 90 15.500 8.475 -19.902 673 1HG2 VAL 90 HG21 VAL 90 14.381 11.787 -21.383 674 2HG2 VAL 90 HG22 VAL 90 14.004 11.057 -19.824 675 3HG2 VAL 90 HG23 VAL 90 15.682 11.079 -20.406 676 H TYR 91 H TYR 91 16.427 6.956 -22.955 677 HA TYR 91 HA TYR 91 14.250 5.904 -24.587 678 1HB TYR 91 HB2 TYR 91 15.267 5.957 -26.667 679 2HB TYR 91 HB3 TYR 91 15.523 7.554 -26.066 680 HD1 TYR 91 HD1 TYR 91 16.983 5.373 -28.096 681 HD2 TYR 91 HD2 TYR 91 17.989 7.466 -24.457 682 HE1 TYR 91 HE1 TYR 91 19.386 5.164 -28.642 683 HE2 TYR 91 HE2 TYR 91 20.378 7.242 -24.982 684 HH TYR 91 HH TYR 91 21.569 5.651 -27.975 685 H GLY 92 H GLY 92 15.372 3.832 -25.850 686 1HA GLY 92 HA2 GLY 92 16.499 1.826 -25.655 687 2HA GLY 92 HA3 GLY 92 17.484 2.528 -24.366 688 H TYR 93 H TYR 93 17.300 0.456 -23.314 689 HA TYR 93 HA TYR 93 14.985 0.199 -21.564 690 1HB TYR 93 HB2 TYR 93 14.703 -2.189 -22.095 691 2HB TYR 93 HB3 TYR 93 14.324 -1.194 -23.488 692 HD1 TYR 93 HD1 TYR 93 15.961 -1.080 -25.436 693 HD2 TYR 93 HD2 TYR 93 16.430 -3.860 -22.166 694 HE1 TYR 93 HE1 TYR 93 17.540 -2.403 -26.795 695 HE2 TYR 93 HE2 TYR 93 18.014 -5.190 -23.517 696 HH TYR 93 HH TYR 93 18.918 -4.287 -26.879 697 H SER 94 H SER 94 15.585 -1.126 -19.648 698 HA SER 94 HA SER 94 18.395 -0.963 -19.066 699 1HB SER 94 HB2 SER 94 16.987 -0.708 -17.215 700 2HB SER 94 HB3 SER 94 16.073 -2.187 -17.572 701 HG SER 94 HG SER 94 17.888 -2.142 -15.881 702 H MET 95 H MET 95 19.943 -2.397 -19.391 703 HA MET 95 HA MET 95 19.649 -4.815 -20.847 704 1HB MET 95 HB2 MET 95 21.714 -3.409 -20.581 705 2HB MET 95 HB3 MET 95 21.868 -3.993 -18.918 706 1HG MET 95 HG2 MET 95 22.150 -6.296 -19.745 707 2HG MET 95 HG3 MET 95 21.881 -5.750 -21.405 708 1HE MET 95 HE1 MET 95 24.329 -7.562 -20.493 709 2HE MET 95 HE2 MET 95 24.067 -7.018 -22.166 710 3HE MET 95 HE3 MET 95 25.655 -6.802 -21.399 711 H ALA 96 H ALA 96 19.009 -4.135 -17.462 712 HA ALA 96 HA ALA 96 19.115 -7.047 -16.785 713 1HB ALA 96 HB1 ALA 96 20.705 -5.619 -15.546 714 2HB ALA 96 HB2 ALA 96 19.357 -4.595 -14.992 715 3HB ALA 96 HB3 ALA 96 19.457 -6.290 -14.478 716 H TYR 97 H TYR 97 17.019 -4.200 -16.893 717 HA TYR 97 HA TYR 97 14.850 -5.747 -15.541 718 1HB TYR 97 HB2 TYR 97 15.327 -2.764 -15.345 719 2HB TYR 97 HB3 TYR 97 14.204 -3.732 -14.406 720 HD1 TYR 97 HD1 TYR 97 15.733 -5.970 -13.369 721 HD2 TYR 97 HD2 TYR 97 16.920 -1.849 -13.873 722 HE1 TYR 97 HE1 TYR 97 17.426 -6.250 -11.599 723 HE2 TYR 97 HE2 TYR 97 18.619 -2.122 -12.095 724 HH TYR 97 HH TYR 97 19.101 -5.240 -10.360 725 H GLY 98 H GLY 98 15.589 -4.518 -18.577 726 1HA GLY 98 HA2 GLY 98 14.217 -4.280 -20.405 727 2HA GLY 98 HA3 GLY 98 12.810 -4.620 -19.393 728 HA PRO 99 HA PRO 99 13.115 -0.108 -20.655 729 1HB PRO 99 HB2 PRO 99 10.719 0.192 -21.964 730 2HB PRO 99 HB3 PRO 99 12.204 -0.423 -22.745 731 1HG PRO 99 HG2 PRO 99 9.887 -2.016 -21.621 732 2HG PRO 99 HG3 PRO 99 10.734 -2.240 -23.183 733 1HD PRO 99 HD2 PRO 99 11.301 -3.745 -20.966 734 2HD PRO 99 HD3 PRO 99 12.566 -3.288 -22.144 735 H ALA 100 H ALA 100 12.608 1.396 -19.209 736 HA ALA 100 HA ALA 100 10.499 1.057 -17.202 737 1HB ALA 100 HB1 ALA 100 11.239 3.389 -16.595 738 2HB ALA 100 HB2 ALA 100 12.586 2.259 -16.639 739 3HB ALA 100 HB3 ALA 100 12.316 3.363 -18.004 740 H GLN 101 H GLN 101 8.901 2.882 -16.925 741 HA GLN 101 HA GLN 101 7.560 3.641 -19.441 742 1HB GLN 101 HB2 GLN 101 6.921 4.163 -16.499 743 2HB GLN 101 HB3 GLN 101 5.987 4.813 -17.855 744 1HG GLN 101 HG2 GLN 101 5.531 2.514 -18.656 745 2HG GLN 101 HG3 GLN 101 6.376 1.858 -17.243 746 1HE2 GLN 101 HE22 GLN 101 5.494 2.718 -15.026 747 2HE2 GLN 101 HE21 GLN 101 3.763 2.900 -14.907 748 H HIS 102 H HIS 102 9.555 4.795 -20.202 749 HA HIS 102 HA HIS 102 10.729 6.934 -18.848 750 1HB HIS 102 HB2 HIS 102 10.376 6.671 -21.842 751 2HB HIS 102 HB3 HIS 102 11.595 7.638 -21.022 752 HD1 HIS 102 HD1 HIS 102 11.189 4.219 -22.443 753 HD2 HIS 102 HD2 HIS 102 13.176 6.007 -19.197 754 HE1 HIS 102 HE1 HIS 102 12.920 2.536 -21.615 755 H ALA 103 H ALA 103 7.548 6.922 -20.240 756 HA ALA 103 HA ALA 103 7.104 9.685 -20.642 757 1HB ALA 103 HB1 ALA 103 5.484 7.958 -21.268 758 2HB ALA 103 HB2 ALA 103 5.253 7.513 -19.556 759 3HB ALA 103 HB3 ALA 103 4.742 9.110 -20.146 760 H ILE 104 H ILE 104 7.414 7.766 -17.641 761 HA ILE 104 HA ILE 104 6.446 9.791 -15.822 762 HB ILE 104 HB ILE 104 8.362 7.451 -15.455 763 1HG1 ILE 104 HG12 ILE 104 6.101 6.722 -16.167 764 2HG1 ILE 104 HG13 ILE 104 6.494 6.194 -14.543 765 1HG2 ILE 104 HG21 ILE 104 8.779 8.923 -13.632 766 2HG2 ILE 104 HG22 ILE 104 7.047 9.194 -13.350 767 3HG2 ILE 104 HG23 ILE 104 7.781 7.606 -13.013 768 1HD1 ILE 104 HD11 ILE 104 5.076 7.915 -13.566 769 2HD1 ILE 104 HD12 ILE 104 4.745 8.619 -15.171 770 3HD1 ILE 104 HD13 ILE 104 4.164 6.986 -14.765 771 H SER 105 H SER 105 9.697 8.899 -17.138 772 HA SER 105 HA SER 105 11.191 10.771 -15.692 773 1HB SER 105 HB2 SER 105 11.701 9.862 -18.547 774 2HB SER 105 HB3 SER 105 12.866 10.408 -17.352 775 HG SER 105 HG SER 105 12.818 8.146 -17.406 776 H THR 106 H THR 106 9.726 11.107 -19.010 777 HA THR 106 HA THR 106 10.538 13.801 -19.260 778 HB THR 106 HB THR 106 8.636 13.906 -20.989 779 HG1 THR 106 HG1 THR 106 7.697 12.005 -21.513 780 1HG2 THR 106 HG21 THR 106 9.912 12.483 -22.570 781 2HG2 THR 106 HG22 THR 106 10.972 13.510 -21.600 782 3HG2 THR 106 HG23 THR 106 10.820 11.782 -21.209 783 H GLU 107 H GLU 107 7.412 12.497 -17.974 784 HA GLU 107 HA GLU 107 6.235 15.015 -17.523 785 1HB GLU 107 HB2 GLU 107 5.888 12.287 -16.202 786 2HB GLU 107 HB3 GLU 107 5.044 13.711 -15.592 787 1HG GLU 107 HG2 GLU 107 4.047 14.139 -17.799 788 2HG GLU 107 HG3 GLU 107 4.882 12.748 -18.477 789 H LYS 108 H LYS 108 8.228 13.064 -15.210 790 HA LYS 108 HA LYS 108 7.983 15.062 -13.153 791 1HB LYS 108 HB2 LYS 108 9.917 12.723 -13.484 792 2HB LYS 108 HB3 LYS 108 9.803 13.766 -12.056 793 1HG LYS 108 HG2 LYS 108 7.493 13.146 -11.677 794 2HG LYS 108 HG3 LYS 108 7.522 12.045 -13.066 795 1HD LYS 108 HD2 LYS 108 9.253 10.679 -12.037 796 2HD LYS 108 HD3 LYS 108 9.460 11.817 -10.707 797 1HE LYS 108 HE2 LYS 108 6.905 10.247 -11.276 798 2HE LYS 108 HE3 LYS 108 8.139 9.792 -10.090 799 1HZ LYS 108 HZ1 LYS 108 6.324 11.001 -9.050 800 2HZ LYS 108 HZ2 LYS 108 7.727 11.853 -8.913 801 3HZ LYS 108 HZ3 LYS 108 6.590 12.311 -9.994 802 H ILE 109 H ILE 109 10.632 14.357 -15.515 803 HA ILE 109 HA ILE 109 12.404 16.313 -14.389 804 HB ILE 109 HB ILE 109 12.276 14.994 -17.110 805 1HG1 ILE 109 HG12 ILE 109 14.336 14.589 -14.889 806 2HG1 ILE 109 HG13 ILE 109 12.861 13.627 -14.986 807 1HG2 ILE 109 HG21 ILE 109 14.556 16.705 -16.042 808 2HG2 ILE 109 HG22 ILE 109 14.551 15.828 -17.564 809 3HG2 ILE 109 HG23 ILE 109 13.459 17.185 -17.352 810 1HD1 ILE 109 HD11 ILE 109 15.077 13.714 -17.071 811 2HD1 ILE 109 HD12 ILE 109 14.657 12.381 -15.994 812 3HD1 ILE 109 HD13 ILE 109 13.531 12.862 -17.278 813 H LYS 110 H LYS 110 9.869 16.561 -17.039 814 HA LYS 110 HA LYS 110 10.542 19.302 -17.574 815 1HB LYS 110 HB2 LYS 110 7.972 17.722 -17.990 816 2HB LYS 110 HB3 LYS 110 8.136 19.424 -18.441 817 1HG LYS 110 HG2 LYS 110 10.013 18.943 -19.920 818 2HG LYS 110 HG3 LYS 110 9.992 17.240 -19.445 819 1HD LYS 110 HD2 LYS 110 7.746 16.959 -20.421 820 2HD LYS 110 HD3 LYS 110 7.722 18.682 -20.873 821 1HE LYS 110 HE2 LYS 110 9.774 18.321 -22.260 822 2HE LYS 110 HE3 LYS 110 9.754 16.607 -21.842 823 1HZ LYS 110 HZ1 LYS 110 7.646 18.027 -23.374 824 2HZ LYS 110 HZ2 LYS 110 8.754 16.995 -23.982 825 3HZ LYS 110 HZ3 LYS 110 7.595 16.442 -22.974 826 H ALA 111 H ALA 111 8.289 17.831 -15.174 827 HA ALA 111 HA ALA 111 7.216 20.293 -14.261 828 1HB ALA 111 HB1 ALA 111 6.225 18.107 -13.722 829 2HB ALA 111 HB2 ALA 111 7.640 17.685 -12.732 830 3HB ALA 111 HB3 ALA 111 6.581 19.023 -12.245 831 H LYS 112 H LYS 112 10.107 18.444 -13.102 832 HA LYS 112 HA LYS 112 10.670 20.448 -11.052 833 1HB LYS 112 HB2 LYS 112 11.976 17.870 -11.974 834 2HB LYS 112 HB3 LYS 112 12.901 19.011 -11.006 835 1HG LYS 112 HG2 LYS 112 11.948 17.459 -9.489 836 2HG LYS 112 HG3 LYS 112 11.158 19.015 -9.257 837 1HD LYS 112 HD2 LYS 112 9.208 18.126 -10.651 838 2HD LYS 112 HD3 LYS 112 10.023 16.547 -10.643 839 1HE LYS 112 HE2 LYS 112 10.020 16.702 -8.097 840 2HE LYS 112 HE3 LYS 112 9.057 18.176 -8.245 841 1HZ LYS 112 HZ1 LYS 112 7.600 16.347 -7.893 842 2HZ LYS 112 HZ2 LYS 112 7.382 16.786 -9.448 843 3HZ LYS 112 HZ3 LYS 112 8.273 15.441 -9.072 844 H TYR 113 H TYR 113 11.658 19.985 -14.356 845 HA TYR 113 HA TYR 113 13.211 20.763 -15.671 846 1HB TYR 113 HB2 TYR 113 11.535 22.717 -15.281 847 2HB TYR 113 HB3 TYR 113 12.887 23.530 -14.524 848 HD1 TYR 113 HD1 TYR 113 14.920 24.115 -15.938 849 HD2 TYR 113 HD2 TYR 113 11.421 22.242 -17.636 850 HE1 TYR 113 HE1 TYR 113 15.700 24.720 -18.209 851 HE2 TYR 113 HE2 TYR 113 12.181 22.858 -19.905 852 HH TYR 113 HH TYR 113 13.806 23.960 -21.169 853 HA PRO 114 HA PRO 114 16.313 20.659 -12.196 854 1HB PRO 114 HB2 PRO 114 17.583 18.283 -12.727 855 2HB PRO 114 HB3 PRO 114 16.022 18.386 -11.856 856 1HG PRO 114 HG2 PRO 114 16.470 17.850 -14.806 857 2HG PRO 114 HG3 PRO 114 15.442 16.934 -13.657 858 1HD PRO 114 HD2 PRO 114 14.400 18.845 -15.291 859 2HD PRO 114 HD3 PRO 114 13.810 18.627 -13.616 860 H ASP 115 H ASP 115 16.700 20.402 -15.684 861 HA ASP 115 HA ASP 115 19.034 22.136 -15.518 862 1HB ASP 115 HB2 ASP 115 20.165 19.950 -15.393 863 2HB ASP 115 HB3 ASP 115 19.327 19.414 -16.851 864 H TYR 116 H TYR 116 17.087 20.049 -17.795 865 HA TYR 116 HA TYR 116 16.387 22.394 -19.353 866 1HB TYR 116 HB2 TYR 116 18.742 21.570 -20.133 867 2HB TYR 116 HB3 TYR 116 17.881 20.196 -20.808 868 HD1 TYR 116 HD1 TYR 116 18.016 23.944 -20.775 869 HD2 TYR 116 HD2 TYR 116 16.832 20.424 -22.967 870 HE1 TYR 116 HE1 TYR 116 17.446 25.360 -22.721 871 HE2 TYR 116 HE2 TYR 116 16.237 21.837 -24.917 872 HH TYR 116 HH TYR 116 16.615 25.411 -24.898 873 H GLU 117 H GLU 117 15.152 21.551 -21.385 874 HA GLU 117 HA GLU 117 12.958 19.879 -20.591 875 1HB GLU 117 HB2 GLU 117 12.850 21.818 -22.149 876 2HB GLU 117 HB3 GLU 117 13.818 20.929 -23.329 877 1HG GLU 117 HG2 GLU 117 12.028 19.301 -23.635 878 2HG GLU 117 HG3 GLU 117 11.119 19.990 -22.284 879 H VAL 118 H VAL 118 12.302 17.926 -21.773 880 HA VAL 118 HA VAL 118 14.494 16.190 -22.707 881 HB VAL 118 HB VAL 118 13.107 14.367 -21.393 882 1HG1 VAL 118 HG11 VAL 118 14.601 14.542 -19.469 883 2HG1 VAL 118 HG12 VAL 118 15.424 14.722 -21.007 884 3HG1 VAL 118 HG13 VAL 118 15.100 16.169 -20.007 885 1HG2 VAL 118 HG21 VAL 118 11.349 15.847 -20.556 886 2HG2 VAL 118 HG22 VAL 118 12.251 15.051 -19.264 887 3HG2 VAL 118 HG23 VAL 118 12.553 16.760 -19.600 888 H THR 119 H THR 119 13.648 14.241 -23.777 889 HA THR 119 HA THR 119 10.861 14.208 -24.668 890 HB THR 119 HB THR 119 11.813 13.619 -27.027 891 HG1 THR 119 HG1 THR 119 13.992 14.981 -25.822 892 1HG2 THR 119 HG21 THR 119 10.448 15.625 -26.536 893 2HG2 THR 119 HG22 THR 119 11.933 16.531 -26.167 894 3HG2 THR 119 HG23 THR 119 11.649 15.885 -27.804 895 H TRP 120 H TRP 120 10.602 11.891 -25.867 896 HA TRP 120 HA TRP 120 12.668 10.053 -24.997 897 1HB TRP 120 HB2 TRP 120 11.329 8.548 -23.766 898 2HB TRP 120 HB3 TRP 120 11.051 10.118 -23.057 899 HD1 TRP 120 HD1 TRP 120 8.612 11.268 -24.208 900 HE1 TRP 120 HE1 TRP 120 6.324 10.136 -24.181 901 HE3 TRP 120 HE3 TRP 120 10.149 6.392 -24.099 902 HZ2 TRP 120 HZ2 TRP 120 5.278 7.430 -24.057 903 HZ3 TRP 120 HZ3 TRP 120 8.488 4.559 -23.971 904 HH2 TRP 120 HH2 TRP 120 6.054 5.063 -23.952 905 H ALA 121 H ALA 121 12.284 7.819 -25.745 906 HA ALA 121 HA ALA 121 10.372 7.478 -27.916 907 1HB ALA 121 HB1 ALA 121 12.112 6.482 -29.424 908 2HB ALA 121 HB2 ALA 121 12.409 8.213 -29.146 909 3HB ALA 121 HB3 ALA 121 13.379 6.989 -28.290 910 H ASN 122 H ASN 122 9.779 5.288 -28.077 911 HA ASN 122 HA ASN 122 10.383 3.720 -25.672 912 1HB ASN 122 HB2 ASN 122 8.044 4.226 -26.453 913 2HB ASN 122 HB3 ASN 122 8.348 3.221 -27.873 914 1HD2 ASN 122 HD22 ASN 122 6.822 1.558 -27.367 915 2HD2 ASN 122 HD21 ASN 122 6.978 0.534 -25.964 916 H ASP 123 H ASP 123 12.554 3.870 -27.545 917 HA ASP 123 HA ASP 123 13.113 1.072 -27.976 918 1HB ASP 123 HB2 ASP 123 11.904 2.059 -30.153 919 2HB ASP 123 HB3 ASP 123 13.486 2.813 -30.404 920 H GLY 124 H GLY 124 15.465 1.095 -29.041 921 1HA GLY 124 HA2 GLY 124 17.386 2.837 -29.270 922 2HA GLY 124 HA3 GLY 124 17.087 3.117 -27.552 923 H TYR 125 H TYR 125 19.417 2.492 -27.450 924 HA TYR 125 HA TYR 125 19.722 -0.350 -26.807 925 1HB TYR 125 HB2 TYR 125 21.617 1.174 -28.653 926 2HB TYR 125 HB3 TYR 125 21.930 -0.400 -27.946 927 HD1 TYR 125 HD1 TYR 125 20.299 1.386 -30.671 928 HD2 TYR 125 HD2 TYR 125 20.509 -2.394 -28.603 929 HE1 TYR 125 HE1 TYR 125 19.205 0.277 -32.599 930 HE2 TYR 125 HE2 TYR 125 19.419 -3.516 -30.522 931 HH TYR 125 HH TYR 125 18.497 -3.250 -32.646 Start of MODEL 8 1 1H MET 1 H1 MET 1 15.385 13.420 15.291 2 2H MET 1 H2 MET 1 14.404 14.403 14.423 3 3H MET 1 H3 MET 1 13.949 13.914 15.914 4 HA MET 1 HA MET 1 14.276 12.190 13.563 5 1HB MET 1 HB2 MET 1 14.859 11.030 15.677 6 2HB MET 1 HB3 MET 1 13.284 11.457 16.356 7 1HG MET 1 HG2 MET 1 12.170 10.141 14.560 8 2HG MET 1 HG3 MET 1 13.755 9.725 13.893 9 1HE MET 1 HE1 MET 1 13.020 7.151 13.927 10 2HE MET 1 HE2 MET 1 12.375 6.340 15.370 11 3HE MET 1 HE3 MET 1 11.445 7.643 14.596 12 H ALA 2 H ALA 2 12.542 12.168 12.204 13 HA ALA 2 HA ALA 2 9.832 12.462 13.226 14 1HB ALA 2 HB1 ALA 2 9.229 14.176 11.529 15 2HB ALA 2 HB2 ALA 2 10.397 14.824 12.696 16 3HB ALA 2 HB3 ALA 2 10.937 14.336 11.071 17 H VAL 3 H VAL 3 8.335 11.537 11.702 18 HA VAL 3 HA VAL 3 9.485 9.539 9.909 19 HB VAL 3 HB VAL 3 6.582 10.326 10.444 20 1HG1 VAL 3 HG11 VAL 3 6.043 8.082 9.567 21 2HG1 VAL 3 HG12 VAL 3 6.827 9.061 8.338 22 3HG1 VAL 3 HG13 VAL 3 7.755 7.805 9.183 23 1HG2 VAL 3 HG21 VAL 3 8.282 8.113 11.688 24 2HG2 VAL 3 HG22 VAL 3 7.620 9.529 12.530 25 3HG2 VAL 3 HG23 VAL 3 6.530 8.301 11.896 26 H ALA 4 H ALA 4 10.107 10.071 7.866 27 HA ALA 4 HA ALA 4 9.309 12.553 6.570 28 1HB ALA 4 HB1 ALA 4 10.716 11.789 4.736 29 2HB ALA 4 HB2 ALA 4 11.564 11.534 6.265 30 3HB ALA 4 HB3 ALA 4 10.812 10.161 5.424 31 H ASP 5 H ASP 5 8.728 11.965 3.972 32 HA ASP 5 HA ASP 5 6.411 10.141 3.893 33 1HB ASP 5 HB2 ASP 5 5.465 12.248 4.756 34 2HB ASP 5 HB3 ASP 5 6.240 13.156 3.456 35 H LEU 6 H LEU 6 5.750 9.758 1.693 36 HA LEU 6 HA LEU 6 7.814 9.392 -0.142 37 1HB LEU 6 HB2 LEU 6 4.798 9.608 -0.509 38 2HB LEU 6 HB3 LEU 6 5.900 9.120 -1.775 39 HG LEU 6 HG LEU 6 5.468 7.581 0.800 40 1HD1 LEU 6 HD11 LEU 6 3.507 7.379 -0.506 41 2HD1 LEU 6 HD12 LEU 6 4.380 7.300 -2.032 42 3HD1 LEU 6 HD13 LEU 6 4.453 5.936 -0.917 43 1HD2 LEU 6 HD21 LEU 6 7.734 7.168 -0.010 44 2HD2 LEU 6 HD22 LEU 6 6.729 5.768 -0.344 45 3HD2 LEU 6 HD23 LEU 6 7.133 6.877 -1.660 46 H ALA 7 H ALA 7 5.771 12.299 0.250 47 HA ALA 7 HA ALA 7 6.476 13.407 -2.295 48 1HB ALA 7 HB1 ALA 7 4.413 14.022 -1.077 49 2HB ALA 7 HB2 ALA 7 5.398 14.756 0.214 50 3HB ALA 7 HB3 ALA 7 5.415 15.445 -1.421 51 H LEU 8 H LEU 8 8.096 13.273 0.811 52 HA LEU 8 HA LEU 8 9.729 15.685 0.347 53 1HB LEU 8 HB2 LEU 8 9.838 13.588 2.554 54 2HB LEU 8 HB3 LEU 8 10.762 15.082 2.511 55 HG LEU 8 HG LEU 8 7.725 14.896 2.705 56 1HD1 LEU 8 HD11 LEU 8 9.812 15.703 4.773 57 2HD1 LEU 8 HD12 LEU 8 8.048 15.721 4.997 58 3HD1 LEU 8 HD13 LEU 8 8.890 14.186 4.757 59 1HD2 LEU 8 HD21 LEU 8 8.324 16.958 1.534 60 2HD2 LEU 8 HD22 LEU 8 7.826 17.341 3.181 61 3HD2 LEU 8 HD23 LEU 8 9.554 17.337 2.762 62 H ILE 9 H ILE 9 9.872 12.290 -0.326 63 HA ILE 9 HA ILE 9 12.637 11.787 -0.342 64 HB ILE 9 HB ILE 9 10.314 10.720 -2.002 65 1HG1 ILE 9 HG12 ILE 9 11.885 9.667 0.402 66 2HG1 ILE 9 HG13 ILE 9 10.228 10.290 0.424 67 1HG2 ILE 9 HG21 ILE 9 12.317 10.343 -3.342 68 2HG2 ILE 9 HG22 ILE 9 13.147 9.676 -1.923 69 3HG2 ILE 9 HG23 ILE 9 11.772 8.824 -2.656 70 1HD1 ILE 9 HD11 ILE 9 10.022 7.957 0.536 71 2HD1 ILE 9 HD12 ILE 9 9.620 8.369 -1.149 72 3HD1 ILE 9 HD13 ILE 9 11.217 7.690 -0.736 73 HA PRO 10 HA PRO 10 13.980 14.389 -3.826 74 1HB PRO 10 HB2 PRO 10 16.168 12.364 -4.158 75 2HB PRO 10 HB3 PRO 10 16.269 14.135 -4.009 76 1HG PRO 10 HG2 PRO 10 16.915 12.485 -1.928 77 2HG PRO 10 HG3 PRO 10 16.075 14.046 -1.663 78 1HD PRO 10 HD2 PRO 10 14.886 11.267 -1.746 79 2HD PRO 10 HD3 PRO 10 14.566 12.615 -0.609 80 H ASP 11 H ASP 11 12.356 14.053 -5.231 81 HA ASP 11 HA ASP 11 11.491 11.583 -6.235 82 1HB ASP 11 HB2 ASP 11 10.235 13.769 -5.877 83 2HB ASP 11 HB3 ASP 11 10.947 14.341 -7.385 84 H VAL 12 H VAL 12 13.696 13.970 -7.591 85 HA VAL 12 HA VAL 12 14.404 12.182 -9.824 86 HB VAL 12 HB VAL 12 13.842 15.174 -10.125 87 1HG1 VAL 12 HG11 VAL 12 14.639 13.087 -12.210 88 2HG1 VAL 12 HG12 VAL 12 14.244 14.793 -12.527 89 3HG1 VAL 12 HG13 VAL 12 15.675 14.389 -11.583 90 1HG2 VAL 12 HG21 VAL 12 12.036 14.542 -11.682 91 2HG2 VAL 12 HG22 VAL 12 12.246 12.832 -11.227 92 3HG2 VAL 12 HG23 VAL 12 11.692 14.026 -10.034 93 H ASP 13 H ASP 13 16.614 11.999 -9.769 94 HA ASP 13 HA ASP 13 18.234 14.368 -9.281 95 1HB ASP 13 HB2 ASP 13 18.079 13.593 -6.967 96 2HB ASP 13 HB3 ASP 13 18.543 11.961 -7.447 97 H ILE 14 H ILE 14 19.368 14.298 -11.125 98 HA ILE 14 HA ILE 14 20.498 11.758 -12.101 99 HB ILE 14 HB ILE 14 19.735 12.374 -14.407 100 1HG1 ILE 14 HG12 ILE 14 17.670 14.180 -13.068 101 2HG1 ILE 14 HG13 ILE 14 19.135 14.790 -13.828 102 1HG2 ILE 14 HG21 ILE 14 17.435 11.777 -12.494 103 2HG2 ILE 14 HG22 ILE 14 17.546 11.334 -14.213 104 3HG2 ILE 14 HG23 ILE 14 18.643 10.603 -13.049 105 1HD1 ILE 14 HD11 ILE 14 16.914 13.260 -15.232 106 2HD1 ILE 14 HD12 ILE 14 17.288 14.982 -15.378 107 3HD1 ILE 14 HD13 ILE 14 18.436 13.780 -15.994 108 H ASP 15 H ASP 15 22.286 12.097 -13.561 109 HA ASP 15 HA ASP 15 23.938 14.241 -12.668 110 1HB ASP 15 HB2 ASP 15 24.804 12.062 -13.384 111 2HB ASP 15 HB3 ASP 15 24.322 12.399 -15.052 112 H SER 16 H SER 16 21.973 13.887 -15.576 113 HA SER 16 HA SER 16 21.457 15.176 -17.337 114 1HB SER 16 HB2 SER 16 22.027 17.480 -15.440 115 2HB SER 16 HB3 SER 16 21.110 17.575 -16.950 116 HG SER 16 HG SER 16 19.802 17.308 -15.057 117 H ASP 17 H ASP 17 22.233 17.286 -18.668 118 HA ASP 17 HA ASP 17 23.724 18.026 -20.186 119 1HB ASP 17 HB2 ASP 17 23.971 19.447 -18.208 120 2HB ASP 17 HB3 ASP 17 25.287 18.430 -17.621 121 H GLY 18 H GLY 18 23.863 15.286 -20.397 122 1HA GLY 18 HA2 GLY 18 26.421 14.704 -21.495 123 2HA GLY 18 HA3 GLY 18 26.338 14.104 -19.830 124 H VAL 19 H VAL 19 26.514 11.952 -20.702 125 HA VAL 19 HA VAL 19 23.953 10.831 -21.659 126 HB VAL 19 HB VAL 19 26.705 10.114 -22.765 127 1HG1 VAL 19 HG11 VAL 19 23.911 9.141 -23.489 128 2HG1 VAL 19 HG12 VAL 19 25.385 8.767 -24.407 129 3HG1 VAL 19 HG13 VAL 19 25.206 8.187 -22.746 130 1HG2 VAL 19 HG21 VAL 19 26.055 12.283 -23.707 131 2HG2 VAL 19 HG22 VAL 19 25.914 11.025 -24.930 132 3HG2 VAL 19 HG23 VAL 19 24.455 11.645 -24.138 133 H PHE 20 H PHE 20 23.370 9.090 -20.413 134 HA PHE 20 HA PHE 20 25.270 7.457 -18.938 135 1HB PHE 20 HB2 PHE 20 24.236 8.072 -16.713 136 2HB PHE 20 HB3 PHE 20 25.332 9.247 -17.388 137 HD1 PHE 20 HD1 PHE 20 21.827 8.631 -16.432 138 HD2 PHE 20 HD2 PHE 20 24.549 11.426 -18.261 139 HE1 PHE 20 HE1 PHE 20 20.140 10.427 -16.198 140 HE2 PHE 20 HE2 PHE 20 22.835 13.198 -18.101 141 HZ PHE 20 HZ PHE 20 20.621 12.710 -17.057 142 H LYS 21 H LYS 21 23.962 5.907 -17.471 143 HA LYS 21 HA LYS 21 21.431 5.148 -18.844 144 1HB LYS 21 HB2 LYS 21 23.161 3.564 -16.888 145 2HB LYS 21 HB3 LYS 21 21.614 3.061 -17.540 146 1HG LYS 21 HG2 LYS 21 22.885 1.960 -19.028 147 2HG LYS 21 HG3 LYS 21 22.812 3.489 -19.905 148 1HD LYS 21 HD2 LYS 21 25.051 4.109 -18.956 149 2HD LYS 21 HD3 LYS 21 25.026 2.615 -18.002 150 1HE LYS 21 HE2 LYS 21 24.700 1.433 -20.333 151 2HE LYS 21 HE3 LYS 21 25.300 2.953 -21.006 152 1HZ LYS 21 HZ1 LYS 21 27.114 1.434 -20.672 153 2HZ LYS 21 HZ2 LYS 21 27.310 2.618 -19.545 154 3HZ LYS 21 HZ3 LYS 21 26.699 1.162 -19.109 155 H TYR 22 H TYR 22 19.598 4.592 -17.445 156 HA TYR 22 HA TYR 22 19.644 5.797 -14.754 157 1HB TYR 22 HB2 TYR 22 18.325 7.535 -15.215 158 2HB TYR 22 HB3 TYR 22 18.748 7.305 -16.890 159 HD1 TYR 22 HD1 TYR 22 16.099 7.529 -14.530 160 HD2 TYR 22 HD2 TYR 22 17.224 5.558 -18.190 161 HE1 TYR 22 HE1 TYR 22 13.730 6.925 -14.921 162 HE2 TYR 22 HE2 TYR 22 14.875 4.882 -18.551 163 HH TYR 22 HH TYR 22 12.228 5.905 -16.350 164 H VAL 23 H VAL 23 17.417 5.351 -13.689 165 HA VAL 23 HA VAL 23 16.108 2.905 -14.607 166 HB VAL 23 HB VAL 23 18.088 2.254 -13.186 167 1HG1 VAL 23 HG11 VAL 23 17.990 2.539 -10.754 168 2HG1 VAL 23 HG12 VAL 23 18.071 4.113 -11.571 169 3HG1 VAL 23 HG13 VAL 23 16.541 3.547 -10.908 170 1HG2 VAL 23 HG21 VAL 23 15.377 1.449 -12.091 171 2HG2 VAL 23 HG22 VAL 23 16.252 0.714 -13.451 172 3HG2 VAL 23 HG23 VAL 23 16.920 0.609 -11.821 173 H LEU 24 H LEU 24 14.017 2.655 -13.606 174 HA LEU 24 HA LEU 24 12.923 5.110 -12.312 175 1HB LEU 24 HB2 LEU 24 12.137 4.706 -14.671 176 2HB LEU 24 HB3 LEU 24 11.554 3.125 -14.184 177 HG LEU 24 HG LEU 24 9.944 4.308 -12.570 178 1HD1 LEU 24 HD11 LEU 24 11.192 6.471 -12.405 179 2HD1 LEU 24 HD12 LEU 24 10.813 6.788 -14.114 180 3HD1 LEU 24 HD13 LEU 24 9.521 6.672 -12.900 181 1HD2 LEU 24 HD21 LEU 24 9.221 3.489 -14.773 182 2HD2 LEU 24 HD22 LEU 24 8.383 4.976 -14.317 183 3HD2 LEU 24 HD23 LEU 24 9.696 5.040 -15.513 184 H ILE 25 H ILE 25 12.476 4.553 -10.149 185 HA ILE 25 HA ILE 25 11.816 1.694 -9.660 186 HB ILE 25 HB ILE 25 13.362 1.320 -8.251 187 1HG1 ILE 25 HG12 ILE 25 13.414 4.063 -6.984 188 2HG1 ILE 25 HG13 ILE 25 12.349 2.757 -6.468 189 1HG2 ILE 25 HG21 ILE 25 15.523 2.372 -8.506 190 2HG2 ILE 25 HG22 ILE 25 14.697 2.384 -10.056 191 3HG2 ILE 25 HG23 ILE 25 14.772 3.874 -9.069 192 1HD1 ILE 25 HD11 ILE 25 14.229 2.772 -5.005 193 2HD1 ILE 25 HD12 ILE 25 14.315 1.314 -6.019 194 3HD1 ILE 25 HD13 ILE 25 15.377 2.706 -6.347 195 H ARG 26 H ARG 26 10.171 1.210 -8.446 196 HA ARG 26 HA ARG 26 8.328 3.316 -7.544 197 1HB ARG 26 HB2 ARG 26 7.492 1.274 -8.624 198 2HB ARG 26 HB3 ARG 26 8.259 0.259 -7.408 199 1HG ARG 26 HG2 ARG 26 6.766 0.908 -5.703 200 2HG ARG 26 HG3 ARG 26 6.264 2.381 -6.544 201 1HD ARG 26 HD2 ARG 26 5.645 -0.402 -7.601 202 2HD ARG 26 HD3 ARG 26 4.561 0.499 -6.519 203 HE ARG 26 HE ARG 26 5.106 2.325 -8.501 204 1HH1 ARG 26 HH22 ARG 26 3.717 -0.959 -8.630 205 2HH1 ARG 26 HH21 ARG 26 2.787 -0.617 -10.042 206 1HH2 ARG 26 HH12 ARG 26 3.967 2.762 -10.196 207 2HH2 ARG 26 HH11 ARG 26 2.916 1.613 -11.007 208 H VAL 27 H VAL 27 7.914 3.706 -5.371 209 HA VAL 27 HA VAL 27 9.647 2.475 -3.300 210 HB VAL 27 HB VAL 27 8.911 5.425 -3.640 211 1HG1 VAL 27 HG11 VAL 27 10.531 5.838 -1.869 212 2HG1 VAL 27 HG12 VAL 27 9.289 4.725 -1.296 213 3HG1 VAL 27 HG13 VAL 27 10.900 4.114 -1.751 214 1HG2 VAL 27 HG21 VAL 27 10.498 4.936 -5.410 215 2HG2 VAL 27 HG22 VAL 27 11.322 5.827 -4.136 216 3HG2 VAL 27 HG23 VAL 27 11.563 4.073 -4.278 217 H HIS 28 H HIS 28 8.407 1.836 -1.568 218 HA HIS 28 HA HIS 28 5.484 2.416 -1.587 219 1HB HIS 28 HB2 HIS 28 7.126 0.363 -0.055 220 2HB HIS 28 HB3 HIS 28 5.366 0.462 -0.131 221 HD1 HIS 28 HD1 HIS 28 4.566 0.398 -3.028 222 HD2 HIS 28 HD2 HIS 28 8.057 -1.489 -1.620 223 HE1 HIS 28 HE1 HIS 28 5.165 -1.387 -4.745 224 H SER 29 H SER 29 4.427 3.145 0.301 225 HA SER 29 HA SER 29 5.798 5.023 1.938 226 1HB SER 29 HB2 SER 29 3.121 3.694 2.446 227 2HB SER 29 HB3 SER 29 3.707 5.188 3.183 228 HG SER 29 HG SER 29 3.160 4.734 0.428 229 H ALA 30 H ALA 30 7.527 4.060 3.073 230 HA ALA 30 HA ALA 30 6.656 2.966 5.618 231 1HB ALA 30 HB1 ALA 30 8.179 1.060 5.642 232 2HB ALA 30 HB2 ALA 30 7.058 0.913 4.286 233 3HB ALA 30 HB3 ALA 30 8.729 1.429 4.002 234 HA PRO 31 HA PRO 31 10.741 5.666 5.620 235 1HB PRO 31 HB2 PRO 31 8.762 7.824 6.360 236 2HB PRO 31 HB3 PRO 31 10.420 7.979 5.687 237 1HG PRO 31 HG2 PRO 31 8.266 8.209 4.055 238 2HG PRO 31 HG3 PRO 31 9.692 7.258 3.531 239 1HD PRO 31 HD2 PRO 31 7.081 6.264 4.678 240 2HD PRO 31 HD3 PRO 31 8.045 5.646 3.305 241 H ARG 32 H ARG 32 11.699 5.707 7.569 242 HA ARG 32 HA ARG 32 12.085 4.938 9.667 243 1HB ARG 32 HB2 ARG 32 9.961 7.061 10.168 244 2HB ARG 32 HB3 ARG 32 11.006 6.420 11.429 245 1HG ARG 32 HG2 ARG 32 12.079 7.825 8.935 246 2HG ARG 32 HG3 ARG 32 11.743 8.622 10.476 247 1HD ARG 32 HD2 ARG 32 13.340 7.187 11.641 248 2HD ARG 32 HD3 ARG 32 13.679 6.286 10.172 249 HE ARG 32 HE ARG 32 14.570 8.998 10.883 250 1HH1 ARG 32 HH11 ARG 32 14.297 6.683 8.192 251 2HH1 ARG 32 HH12 ARG 32 15.853 7.029 7.547 252 1HH2 ARG 32 HH21 ARG 32 16.521 9.667 9.844 253 2HH2 ARG 32 HH22 ARG 32 17.037 8.908 8.389 254 H SER 33 H SER 33 10.043 3.310 8.259 255 HA SER 33 HA SER 33 8.567 1.688 8.597 256 1HB SER 33 HB2 SER 33 9.921 1.377 11.300 257 2HB SER 33 HB3 SER 33 9.070 0.128 10.377 258 HG SER 33 HG SER 33 11.346 0.018 10.119 259 H GLY 34 H GLY 34 7.571 4.344 9.295 260 1HA GLY 34 HA2 GLY 34 5.369 3.592 11.164 261 2HA GLY 34 HA3 GLY 34 6.384 5.005 11.495 262 H ALA 35 H ALA 35 5.610 4.164 8.163 263 HA ALA 35 HA ALA 35 4.497 6.714 7.597 264 1HB ALA 35 HB1 ALA 35 5.605 5.248 5.929 265 2HB ALA 35 HB2 ALA 35 4.240 4.107 6.029 266 3HB ALA 35 HB3 ALA 35 3.990 5.748 5.398 267 HA PRO 36 HA PRO 36 0.287 6.009 8.856 268 1HB PRO 36 HB2 PRO 36 -1.060 7.998 7.576 269 2HB PRO 36 HB3 PRO 36 0.192 8.338 8.807 270 1HG PRO 36 HG2 PRO 36 0.530 8.284 5.786 271 2HG PRO 36 HG3 PRO 36 1.012 9.584 6.925 272 1HD PRO 36 HD2 PRO 36 2.775 7.685 6.076 273 2HD PRO 36 HD3 PRO 36 2.824 8.322 7.747 274 H ALA 37 H ALA 37 1.243 5.187 5.693 275 HA ALA 37 HA ALA 37 -1.316 3.925 4.991 276 1HB ALA 37 HB1 ALA 37 0.013 6.067 3.257 277 2HB ALA 37 HB2 ALA 37 -1.464 5.155 2.865 278 3HB ALA 37 HB3 ALA 37 -1.471 6.309 4.207 279 H ALA 38 H ALA 38 -0.872 3.083 2.543 280 HA ALA 38 HA ALA 38 1.894 2.086 2.208 281 1HB ALA 38 HB1 ALA 38 -0.579 0.330 2.021 282 2HB ALA 38 HB2 ALA 38 1.106 -0.144 1.690 283 3HB ALA 38 HB3 ALA 38 0.622 0.290 3.339 284 H GLU 39 H GLU 39 0.754 4.325 1.018 285 HA GLU 39 HA GLU 39 -0.035 3.625 -1.699 286 1HB GLU 39 HB2 GLU 39 0.960 6.241 -0.463 287 2HB GLU 39 HB3 GLU 39 0.362 6.078 -2.111 288 1HG GLU 39 HG2 GLU 39 -1.258 5.638 0.433 289 2HG GLU 39 HG3 GLU 39 -1.339 7.034 -0.629 290 H SER 40 H SER 40 1.462 4.528 -3.536 291 HA SER 40 HA SER 40 4.322 4.235 -2.933 292 1HB SER 40 HB2 SER 40 3.032 2.675 -5.196 293 2HB SER 40 HB3 SER 40 4.701 2.585 -4.631 294 HG SER 40 HG SER 40 2.372 1.765 -3.217 295 H LYS 41 H LYS 41 5.661 4.966 -4.736 296 HA LYS 41 HA LYS 41 4.482 6.399 -6.968 297 1HB LYS 41 HB2 LYS 41 5.627 8.578 -6.427 298 2HB LYS 41 HB3 LYS 41 4.227 8.185 -5.462 299 1HG LYS 41 HG2 LYS 41 5.663 9.107 -3.942 300 2HG LYS 41 HG3 LYS 41 5.783 7.389 -3.630 301 1HD LYS 41 HD2 LYS 41 7.940 8.347 -3.366 302 2HD LYS 41 HD3 LYS 41 7.969 7.313 -4.783 303 1HE LYS 41 HE2 LYS 41 9.221 9.370 -5.145 304 2HE LYS 41 HE3 LYS 41 7.861 9.269 -6.261 305 1HZ LYS 41 HZ1 LYS 41 7.973 10.944 -3.801 306 2HZ LYS 41 HZ2 LYS 41 8.124 11.437 -5.383 307 3HZ LYS 41 HZ3 LYS 41 6.695 10.865 -4.838 308 H GLU 42 H GLU 42 6.375 7.378 -8.320 309 HA GLU 42 HA GLU 42 8.608 5.402 -8.218 310 1HB GLU 42 HB2 GLU 42 7.420 6.965 -10.551 311 2HB GLU 42 HB3 GLU 42 8.880 5.988 -10.629 312 1HG GLU 42 HG2 GLU 42 7.153 4.680 -11.544 313 2HG GLU 42 HG3 GLU 42 7.597 3.971 -9.992 314 H ILE 43 H ILE 43 10.740 6.181 -8.733 315 HA ILE 43 HA ILE 43 11.128 9.116 -8.782 316 HB ILE 43 HB ILE 43 13.109 8.895 -7.350 317 1HG1 ILE 43 HG12 ILE 43 12.176 6.056 -6.758 318 2HG1 ILE 43 HG13 ILE 43 13.559 6.449 -7.778 319 1HG2 ILE 43 HG21 ILE 43 11.930 8.876 -5.262 320 2HG2 ILE 43 HG22 ILE 43 10.808 9.478 -6.488 321 3HG2 ILE 43 HG23 ILE 43 10.664 7.803 -5.909 322 1HD1 ILE 43 HD11 ILE 43 13.341 7.174 -4.835 323 2HD1 ILE 43 HD12 ILE 43 14.233 5.812 -5.518 324 3HD1 ILE 43 HD13 ILE 43 14.731 7.473 -5.908 325 H VAL 44 H VAL 44 13.122 9.748 -9.748 326 HA VAL 44 HA VAL 44 13.943 7.886 -11.944 327 HB VAL 44 HB VAL 44 13.494 10.908 -11.874 328 1HG1 VAL 44 HG11 VAL 44 13.796 10.873 -14.308 329 2HG1 VAL 44 HG12 VAL 44 15.267 10.333 -13.494 330 3HG1 VAL 44 HG13 VAL 44 14.187 9.146 -14.261 331 1HG2 VAL 44 HG21 VAL 44 11.587 10.562 -13.314 332 2HG2 VAL 44 HG22 VAL 44 11.871 8.808 -13.363 333 3HG2 VAL 44 HG23 VAL 44 11.357 9.601 -11.859 334 H ARG 45 H ARG 45 16.094 7.330 -11.734 335 HA ARG 45 HA ARG 45 17.999 9.391 -10.762 336 1HB ARG 45 HB2 ARG 45 17.895 6.523 -9.754 337 2HB ARG 45 HB3 ARG 45 19.150 7.689 -9.357 338 1HG ARG 45 HG2 ARG 45 16.219 7.867 -8.516 339 2HG ARG 45 HG3 ARG 45 17.567 7.337 -7.521 340 1HD ARG 45 HD2 ARG 45 18.596 9.554 -7.617 341 2HD ARG 45 HD3 ARG 45 17.280 10.139 -8.622 342 HE ARG 45 HE ARG 45 15.868 10.241 -6.809 343 1HH1 ARG 45 HH11 ARG 45 18.917 8.690 -5.731 344 2HH1 ARG 45 HH12 ARG 45 18.364 8.602 -4.065 345 1HH2 ARG 45 HH21 ARG 45 15.319 10.172 -4.560 346 2HH2 ARG 45 HH22 ARG 45 16.458 9.419 -3.432 347 H GLY 46 H GLY 46 20.106 9.152 -11.701 348 1HA GLY 46 HA2 GLY 46 21.004 6.912 -13.150 349 2HA GLY 46 HA3 GLY 46 20.180 7.988 -14.288 350 H TYR 47 H TYR 47 23.125 7.226 -13.700 351 HA TYR 47 HA TYR 47 24.261 9.921 -13.896 352 1HB TYR 47 HB2 TYR 47 25.251 8.112 -11.677 353 2HB TYR 47 HB3 TYR 47 25.598 9.810 -11.922 354 HD1 TYR 47 HD1 TYR 47 24.165 11.514 -10.876 355 HD2 TYR 47 HD2 TYR 47 23.097 7.341 -10.782 356 HE1 TYR 47 HE1 TYR 47 22.543 11.973 -9.061 357 HE2 TYR 47 HE2 TYR 47 21.455 7.790 -8.979 358 HH TYR 47 HH TYR 47 21.056 11.053 -7.534 359 H LYS 48 H LYS 48 26.581 9.787 -14.472 360 HA LYS 48 HA LYS 48 27.134 7.654 -16.258 361 1HB LYS 48 HB2 LYS 48 29.057 9.663 -14.993 362 2HB LYS 48 HB3 LYS 48 29.446 8.573 -16.325 363 1HG LYS 48 HG2 LYS 48 27.539 9.617 -17.640 364 2HG LYS 48 HG3 LYS 48 27.378 10.808 -16.348 365 1HD LYS 48 HD2 LYS 48 28.713 11.867 -18.009 366 2HD LYS 48 HD3 LYS 48 29.831 11.394 -16.733 367 1HE LYS 48 HE2 LYS 48 30.922 10.796 -18.752 368 2HE LYS 48 HE3 LYS 48 30.327 9.277 -18.087 369 1HZ LYS 48 HZ1 LYS 48 29.195 10.819 -20.338 370 2HZ LYS 48 HZ2 LYS 48 29.806 9.314 -20.380 371 3HZ LYS 48 HZ3 LYS 48 28.361 9.589 -19.650 372 H TRP 49 H TRP 49 28.004 7.995 -12.794 373 HA TRP 49 HA TRP 49 29.961 5.932 -12.847 374 1HB TRP 49 HB2 TRP 49 29.555 5.819 -10.361 375 2HB TRP 49 HB3 TRP 49 30.107 7.330 -11.037 376 HD1 TRP 49 HD1 TRP 49 28.900 9.426 -10.340 377 HE1 TRP 49 HE1 TRP 49 26.828 10.014 -8.981 378 HE3 TRP 49 HE3 TRP 49 26.860 4.740 -9.896 379 HZ2 TRP 49 HZ2 TRP 49 24.543 8.634 -7.852 380 HZ3 TRP 49 HZ3 TRP 49 24.684 4.434 -8.792 381 HH2 TRP 49 HH2 TRP 49 23.478 6.373 -7.794 382 H ALA 50 H ALA 50 26.411 5.700 -12.787 383 HA ALA 50 HA ALA 50 26.582 2.807 -12.233 384 1HB ALA 50 HB1 ALA 50 24.197 4.605 -12.756 385 2HB ALA 50 HB2 ALA 50 24.162 2.840 -12.484 386 3HB ALA 50 HB3 ALA 50 24.736 3.904 -11.198 387 H GLU 51 H GLU 51 28.051 2.543 -14.081 388 HA GLU 51 HA GLU 51 27.100 2.889 -16.758 389 1HB GLU 51 HB2 GLU 51 29.233 1.114 -15.499 390 2HB GLU 51 HB3 GLU 51 28.923 1.071 -17.228 391 1HG GLU 51 HG2 GLU 51 29.713 3.578 -15.704 392 2HG GLU 51 HG3 GLU 51 30.824 2.515 -16.554 393 H TYR 52 H TYR 52 25.860 0.850 -14.378 394 HA TYR 52 HA TYR 52 24.398 -0.695 -16.379 395 1HB TYR 52 HB2 TYR 52 24.558 -2.668 -14.650 396 2HB TYR 52 HB3 TYR 52 25.714 -2.471 -15.952 397 HD1 TYR 52 HD1 TYR 52 27.939 -1.396 -15.507 398 HD2 TYR 52 HD2 TYR 52 25.325 -2.718 -12.358 399 HE1 TYR 52 HE1 TYR 52 29.873 -1.433 -13.931 400 HE2 TYR 52 HE2 TYR 52 27.228 -2.775 -10.776 401 HH TYR 52 HH TYR 52 29.512 -2.406 -10.484 402 H HIS 53 H HIS 53 22.279 -0.913 -15.770 403 HA HIS 53 HA HIS 53 21.196 0.974 -14.032 404 1HB HIS 53 HB2 HIS 53 19.740 -1.547 -14.879 405 2HB HIS 53 HB3 HIS 53 19.060 0.051 -14.579 406 HD1 HIS 53 HD1 HIS 53 19.266 1.825 -16.675 407 HD2 HIS 53 HD2 HIS 53 20.971 -1.998 -17.215 408 HE1 HIS 53 HE1 HIS 53 19.941 1.649 -19.136 409 H ALA 54 H ALA 54 22.072 -2.403 -13.362 410 HA ALA 54 HA ALA 54 20.647 -2.724 -10.933 411 1HB ALA 54 HB1 ALA 54 22.285 -4.505 -10.459 412 2HB ALA 54 HB2 ALA 54 21.720 -4.595 -12.138 413 3HB ALA 54 HB3 ALA 54 23.326 -3.920 -11.769 414 H ASP 55 H ASP 55 23.643 -0.904 -11.629 415 HA ASP 55 HA ASP 55 24.561 -0.848 -8.907 416 1HB ASP 55 HB2 ASP 55 25.910 -0.239 -11.019 417 2HB ASP 55 HB3 ASP 55 25.069 1.287 -11.004 418 H ILE 56 H ILE 56 22.566 1.417 -10.877 419 HA ILE 56 HA ILE 56 22.140 3.205 -8.647 420 HB ILE 56 HB ILE 56 20.025 3.786 -10.224 421 1HG1 ILE 56 HG12 ILE 56 21.997 2.555 -12.158 422 2HG1 ILE 56 HG13 ILE 56 20.249 2.329 -12.009 423 1HG2 ILE 56 HG21 ILE 56 21.653 5.276 -9.262 424 2HG2 ILE 56 HG22 ILE 56 22.807 4.887 -10.556 425 3HG2 ILE 56 HG23 ILE 56 21.267 5.707 -10.918 426 1HD1 ILE 56 HD11 ILE 56 21.749 4.746 -13.083 427 2HD1 ILE 56 HD12 ILE 56 20.734 3.604 -13.977 428 3HD1 ILE 56 HD13 ILE 56 19.987 4.707 -12.796 429 H TYR 57 H TYR 57 20.230 0.395 -9.998 430 HA TYR 57 HA TYR 57 18.025 0.879 -8.287 431 1HB TYR 57 HB2 TYR 57 17.839 -0.783 -10.034 432 2HB TYR 57 HB3 TYR 57 19.129 -1.751 -9.320 433 HD1 TYR 57 HD1 TYR 57 15.941 -0.139 -8.023 434 HD2 TYR 57 HD2 TYR 57 18.369 -3.702 -8.259 435 HE1 TYR 57 HE1 TYR 57 14.377 -1.295 -6.514 436 HE2 TYR 57 HE2 TYR 57 16.776 -4.886 -6.789 437 HH TYR 57 HH TYR 57 13.906 -3.295 -5.333 438 H ASP 58 H ASP 58 21.069 -0.986 -7.612 439 HA ASP 58 HA ASP 58 20.327 -1.712 -4.970 440 1HB ASP 58 HB2 ASP 58 22.139 -2.822 -6.152 441 2HB ASP 58 HB3 ASP 58 23.068 -1.320 -6.220 442 H LYS 59 H LYS 59 22.360 1.054 -6.133 443 HA LYS 59 HA LYS 59 22.893 2.137 -3.565 444 1HB LYS 59 HB2 LYS 59 24.195 2.741 -5.456 445 2HB LYS 59 HB3 LYS 59 22.804 3.374 -6.340 446 1HG LYS 59 HG2 LYS 59 22.750 5.360 -5.206 447 2HG LYS 59 HG3 LYS 59 23.358 4.667 -3.685 448 1HD LYS 59 HD2 LYS 59 25.603 4.536 -4.486 449 2HD LYS 59 HD3 LYS 59 25.123 4.968 -6.132 450 1HE LYS 59 HE2 LYS 59 24.334 7.201 -5.275 451 2HE LYS 59 HE3 LYS 59 24.934 6.765 -3.669 452 1HZ LYS 59 HZ1 LYS 59 27.164 6.613 -4.629 453 2HZ LYS 59 HZ2 LYS 59 26.596 7.019 -6.112 454 3HZ LYS 59 HZ3 LYS 59 26.538 8.094 -4.884 455 H VAL 60 H VAL 60 20.241 2.895 -5.874 456 HA VAL 60 HA VAL 60 19.158 4.956 -4.193 457 HB VAL 60 HB VAL 60 17.987 3.502 -6.583 458 1HG1 VAL 60 HG11 VAL 60 16.240 4.581 -5.145 459 2HG1 VAL 60 HG12 VAL 60 17.126 6.100 -5.217 460 3HG1 VAL 60 HG13 VAL 60 16.425 5.399 -6.704 461 1HG2 VAL 60 HG21 VAL 60 19.288 6.264 -6.385 462 2HG2 VAL 60 HG22 VAL 60 20.140 4.846 -6.981 463 3HG2 VAL 60 HG23 VAL 60 18.732 5.409 -7.855 464 H SER 61 H SER 61 18.432 1.401 -4.573 465 HA SER 61 HA SER 61 16.263 1.470 -2.702 466 1HB SER 61 HB2 SER 61 18.234 -0.778 -3.273 467 2HB SER 61 HB3 SER 61 16.691 -0.922 -2.404 468 HG SER 61 HG SER 61 17.193 -0.317 -5.106 469 H GLY 62 H GLY 62 19.808 1.567 -2.246 470 1HA GLY 62 HA2 GLY 62 19.839 1.152 0.583 471 2HA GLY 62 HA3 GLY 62 21.038 2.031 -0.386 472 H ASP 63 H ASP 63 19.789 4.198 -1.376 473 HA ASP 63 HA ASP 63 19.464 6.055 0.736 474 1HB ASP 63 HB2 ASP 63 20.053 6.763 -1.463 475 2HB ASP 63 HB3 ASP 63 18.619 6.046 -2.188 476 H MET 64 H MET 64 16.896 4.405 -1.228 477 HA MET 64 HA MET 64 14.752 5.546 0.249 478 1HB MET 64 HB2 MET 64 14.920 2.927 -1.289 479 2HB MET 64 HB3 MET 64 13.435 3.674 -0.711 480 1HG MET 64 HG2 MET 64 15.284 4.910 -2.772 481 2HG MET 64 HG3 MET 64 13.705 4.212 -3.052 482 1HE MET 64 HE1 MET 64 15.603 7.292 -2.836 483 2HE MET 64 HE2 MET 64 14.751 8.432 -1.773 484 3HE MET 64 HE3 MET 64 15.612 7.077 -1.072 485 H GLN 65 H GLN 65 16.480 2.399 0.868 486 HA GLN 65 HA GLN 65 14.762 1.781 3.076 487 1HB GLN 65 HB2 GLN 65 17.471 0.885 2.088 488 2HB GLN 65 HB3 GLN 65 16.877 0.294 3.650 489 1HG GLN 65 HG2 GLN 65 14.925 -0.707 2.629 490 2HG GLN 65 HG3 GLN 65 15.304 0.009 1.057 491 1HE2 GLN 65 HE22 GLN 65 17.535 -0.576 0.180 492 2HE2 GLN 65 HE21 GLN 65 18.051 -2.254 0.352 493 H LYS 66 H LYS 66 17.707 3.762 2.778 494 HA LYS 66 HA LYS 66 18.104 4.200 5.588 495 1HB LYS 66 HB2 LYS 66 19.870 4.634 4.148 496 2HB LYS 66 HB3 LYS 66 18.940 5.583 3.036 497 1HG LYS 66 HG2 LYS 66 19.573 6.534 5.852 498 2HG LYS 66 HG3 LYS 66 20.672 6.736 4.485 499 1HD LYS 66 HD2 LYS 66 17.898 7.971 4.644 500 2HD LYS 66 HD3 LYS 66 19.438 8.792 4.910 501 1HE LYS 66 HE2 LYS 66 20.132 8.226 2.579 502 2HE LYS 66 HE3 LYS 66 18.576 7.428 2.331 503 1HZ LYS 66 HZ1 LYS 66 19.031 10.304 2.665 504 2HZ LYS 66 HZ2 LYS 66 18.348 9.458 1.413 505 3HZ LYS 66 HZ3 LYS 66 17.535 9.628 2.832 506 H GLN 67 H GLN 67 15.820 5.644 3.214 507 HA GLN 67 HA GLN 67 14.770 7.543 5.151 508 1HB GLN 67 HB2 GLN 67 13.386 6.357 2.717 509 2HB GLN 67 HB3 GLN 67 12.824 7.712 3.667 510 1HG GLN 67 HG2 GLN 67 15.510 7.709 2.226 511 2HG GLN 67 HG3 GLN 67 14.020 8.262 1.477 512 1HE2 GLN 67 HE22 GLN 67 12.810 10.066 2.752 513 2HE2 GLN 67 HE21 GLN 67 13.825 11.262 3.519 514 H GLY 68 H GLY 68 13.948 4.285 4.060 515 1HA GLY 68 HA2 GLY 68 13.519 2.752 6.099 516 2HA GLY 68 HA3 GLY 68 12.090 3.766 6.328 517 H CYS 69 H CYS 69 12.568 3.677 3.043 518 HA CYS 69 HA CYS 69 10.064 2.313 2.652 519 1HB CYS 69 HB2 CYS 69 12.116 3.666 0.885 520 2HB CYS 69 HB3 CYS 69 10.635 2.962 0.231 521 HG CYS 69 HG CYS 69 8.971 4.399 1.286 522 H ASP 70 H ASP 70 9.844 0.888 0.696 523 HA ASP 70 HA ASP 70 12.023 -1.076 0.283 524 1HB ASP 70 HB2 ASP 70 10.342 -2.203 1.675 525 2HB ASP 70 HB3 ASP 70 9.050 -1.660 0.598 526 H CYS 71 H CYS 71 12.046 -1.754 -2.016 527 HA CYS 71 HA CYS 71 10.460 -0.028 -3.820 528 1HB CYS 71 HB2 CYS 71 13.523 -0.007 -3.730 529 2HB CYS 71 HB3 CYS 71 12.473 0.942 -4.791 530 HG CYS 71 HG CYS 71 11.161 1.657 -2.317 531 H GLU 72 H GLU 72 10.965 -0.374 -6.148 532 HA GLU 72 HA GLU 72 12.310 -2.880 -6.891 533 1HB GLU 72 HB2 GLU 72 10.077 -3.655 -6.318 534 2HB GLU 72 HB3 GLU 72 9.322 -2.349 -7.245 535 1HG GLU 72 HG2 GLU 72 10.134 -3.245 -9.325 536 2HG GLU 72 HG3 GLU 72 11.152 -4.427 -8.492 537 H CYS 73 H CYS 73 13.360 -2.470 -8.829 538 HA CYS 73 HA CYS 73 12.984 -0.007 -10.314 539 1HB CYS 73 HB2 CYS 73 14.449 -1.338 -11.996 540 2HB CYS 73 HB3 CYS 73 15.175 -0.835 -10.472 541 HG CYS 73 HG CYS 73 15.908 -3.304 -11.294 542 H LEU 74 H LEU 74 11.222 0.339 -11.559 543 HA LEU 74 HA LEU 74 9.477 -1.831 -12.460 544 1HB LEU 74 HB2 LEU 74 9.575 1.136 -13.173 545 2HB LEU 74 HB3 LEU 74 8.330 0.004 -13.685 546 HG LEU 74 HG LEU 74 8.888 0.917 -10.836 547 1HD1 LEU 74 HD11 LEU 74 6.477 1.290 -12.668 548 2HD1 LEU 74 HD12 LEU 74 6.653 1.917 -11.015 549 3HD1 LEU 74 HD13 LEU 74 7.707 2.518 -12.309 550 1HD2 LEU 74 HD21 LEU 74 6.877 -1.150 -11.837 551 2HD2 LEU 74 HD22 LEU 74 8.192 -1.406 -10.664 552 3HD2 LEU 74 HD23 LEU 74 6.818 -0.389 -10.234 553 H GLY 75 H GLY 75 12.206 0.034 -13.710 554 1HA GLY 75 HA2 GLY 75 13.057 -1.777 -15.613 555 2HA GLY 75 HA3 GLY 75 11.977 -0.665 -16.474 556 H GLY 76 H GLY 76 14.129 -0.106 -17.552 557 1HA GLY 76 HA2 GLY 76 14.888 2.471 -16.522 558 2HA GLY 76 HA3 GLY 76 16.240 1.329 -16.434 559 H GLY 77 H GLY 77 17.154 2.930 -18.000 560 1HA GLY 77 HA2 GLY 77 17.075 2.098 -20.721 561 2HA GLY 77 HA3 GLY 77 16.061 3.535 -20.500 562 H ARG 78 H ARG 78 17.643 4.665 -21.847 563 HA ARG 78 HA ARG 78 20.098 5.486 -20.380 564 1HB ARG 78 HB2 ARG 78 20.561 3.795 -22.165 565 2HB ARG 78 HB3 ARG 78 19.879 4.901 -23.362 566 1HG ARG 78 HG2 ARG 78 21.684 6.525 -22.927 567 2HG ARG 78 HG3 ARG 78 22.282 5.522 -21.583 568 1HD ARG 78 HD2 ARG 78 22.697 3.662 -23.164 569 2HD ARG 78 HD3 ARG 78 22.160 4.672 -24.502 570 HE ARG 78 HE ARG 78 24.576 5.109 -22.790 571 1HH1 ARG 78 HH21 ARG 78 22.960 5.686 -25.926 572 2HH1 ARG 78 HH22 ARG 78 24.392 6.276 -26.682 573 1HH2 ARG 78 HH11 ARG 78 26.472 5.820 -23.852 574 2HH2 ARG 78 HH12 ARG 78 26.415 6.346 -25.487 575 H ILE 79 H ILE 79 20.777 7.631 -20.834 576 HA ILE 79 HA ILE 79 18.660 9.414 -21.876 577 HB ILE 79 HB ILE 79 20.076 9.467 -19.172 578 1HG1 ILE 79 HG12 ILE 79 17.204 9.118 -20.087 579 2HG1 ILE 79 HG13 ILE 79 18.171 8.013 -19.127 580 1HG2 ILE 79 HG21 ILE 79 18.262 11.602 -20.401 581 2HG2 ILE 79 HG22 ILE 79 18.942 11.632 -18.757 582 3HG2 ILE 79 HG23 ILE 79 20.018 11.763 -20.129 583 1HD1 ILE 79 HD11 ILE 79 18.080 9.660 -17.224 584 2HD1 ILE 79 HD12 ILE 79 16.957 10.645 -18.194 585 3HD1 ILE 79 HD13 ILE 79 16.499 9.014 -17.718 586 H SER 80 H SER 80 19.494 11.100 -23.062 587 HA SER 80 HA SER 80 22.447 11.422 -23.194 588 1HB SER 80 HB2 SER 80 20.647 10.876 -25.593 589 2HB SER 80 HB3 SER 80 22.407 11.053 -25.597 590 HG SER 80 HG SER 80 21.805 8.882 -25.692 591 H HIS 81 H HIS 81 23.132 13.416 -23.862 592 HA HIS 81 HA HIS 81 21.377 15.236 -25.350 593 1HB HIS 81 HB2 HIS 81 20.952 16.167 -23.218 594 2HB HIS 81 HB3 HIS 81 22.561 15.777 -22.610 595 HD1 HIS 81 HD1 HIS 81 21.225 18.191 -25.439 596 HD2 HIS 81 HD2 HIS 81 24.218 17.730 -22.499 597 HE1 HIS 81 HE1 HIS 81 22.678 20.252 -25.555 598 H GLN 82 H GLN 82 22.616 16.455 -26.763 599 HA GLN 82 HA GLN 82 25.499 16.675 -26.514 600 1HB GLN 82 HB2 GLN 82 24.200 15.526 -29.038 601 2HB GLN 82 HB3 GLN 82 25.880 16.053 -28.880 602 1HG GLN 82 HG2 GLN 82 26.258 14.286 -27.157 603 2HG GLN 82 HG3 GLN 82 24.612 13.697 -27.433 604 1HE2 GLN 82 HE22 GLN 82 24.072 12.802 -29.591 605 2HE2 GLN 82 HE21 GLN 82 25.346 12.176 -30.605 606 H SER 83 H SER 83 26.193 18.447 -28.079 607 HA SER 83 HA SER 83 24.708 20.690 -27.656 608 1HB SER 83 HB2 SER 83 26.657 20.324 -29.956 609 2HB SER 83 HB3 SER 83 26.335 21.802 -29.029 610 HG SER 83 HG SER 83 28.254 20.749 -28.346 611 H GLN 84 H GLN 84 24.195 18.455 -30.304 612 HA GLN 84 HA GLN 84 22.950 20.192 -32.180 613 1HB GLN 84 HB2 GLN 84 22.642 17.198 -31.656 614 2HB GLN 84 HB3 GLN 84 21.913 18.048 -33.010 615 1HG GLN 84 HG2 GLN 84 23.879 17.036 -33.857 616 2HG GLN 84 HG3 GLN 84 24.160 18.769 -33.796 617 1HE2 GLN 84 HE22 GLN 84 26.488 18.407 -33.849 618 2HE2 GLN 84 HE21 GLN 84 27.334 17.818 -32.442 619 H ASP 85 H ASP 85 21.705 18.832 -29.122 620 HA ASP 85 HA ASP 85 19.200 20.308 -29.544 621 1HB ASP 85 HB2 ASP 85 18.678 18.126 -30.555 622 2HB ASP 85 HB3 ASP 85 19.185 17.301 -29.079 623 H LYS 86 H LYS 86 19.094 21.472 -27.730 624 HA LYS 86 HA LYS 86 20.468 20.770 -25.328 625 1HB LYS 86 HB2 LYS 86 20.009 23.111 -26.050 626 2HB LYS 86 HB3 LYS 86 18.282 22.838 -25.798 627 1HG LYS 86 HG2 LYS 86 19.152 24.072 -23.928 628 2HG LYS 86 HG3 LYS 86 18.689 22.480 -23.384 629 1HD LYS 86 HD2 LYS 86 21.412 22.106 -23.927 630 2HD LYS 86 HD3 LYS 86 21.349 23.797 -23.467 631 1HE LYS 86 HE2 LYS 86 21.718 22.685 -21.428 632 2HE LYS 86 HE3 LYS 86 19.989 23.046 -21.406 633 1HZ LYS 86 HZ1 LYS 86 20.322 20.804 -20.711 634 2HZ LYS 86 HZ2 LYS 86 19.656 20.706 -22.222 635 3HZ LYS 86 HZ3 LYS 86 21.258 20.441 -22.006 636 H LYS 87 H LYS 87 17.246 19.836 -26.474 637 HA LYS 87 HA LYS 87 16.266 19.303 -23.761 638 1HB LYS 87 HB2 LYS 87 15.259 18.262 -26.453 639 2HB LYS 87 HB3 LYS 87 14.554 17.908 -24.887 640 1HG LYS 87 HG2 LYS 87 13.158 19.558 -25.626 641 2HG LYS 87 HG3 LYS 87 14.262 20.479 -24.605 642 1HD LYS 87 HD2 LYS 87 15.515 21.188 -26.651 643 2HD LYS 87 HD3 LYS 87 14.424 20.234 -27.652 644 1HE LYS 87 HE2 LYS 87 13.653 22.657 -25.960 645 2HE LYS 87 HE3 LYS 87 13.945 22.650 -27.699 646 1HZ LYS 87 HZ1 LYS 87 11.657 22.533 -27.434 647 2HZ LYS 87 HZ2 LYS 87 12.049 20.995 -27.805 648 3HZ LYS 87 HZ3 LYS 87 11.690 21.434 -26.243 649 H ILE 88 H ILE 88 16.926 17.626 -22.540 650 HA ILE 88 HA ILE 88 18.757 15.619 -23.596 651 HB ILE 88 HB ILE 88 17.267 15.294 -20.991 652 1HG1 ILE 88 HG12 ILE 88 19.665 17.146 -21.370 653 2HG1 ILE 88 HG13 ILE 88 18.037 17.641 -20.903 654 1HG2 ILE 88 HG21 ILE 88 19.238 14.132 -20.261 655 2HG2 ILE 88 HG22 ILE 88 18.766 13.489 -21.821 656 3HG2 ILE 88 HG23 ILE 88 20.134 14.613 -21.712 657 1HD1 ILE 88 HD11 ILE 88 19.960 16.011 -19.218 658 2HD1 ILE 88 HD12 ILE 88 19.367 17.651 -18.937 659 3HD1 ILE 88 HD13 ILE 88 18.246 16.283 -18.808 660 H HIS 89 H HIS 89 18.177 13.357 -23.921 661 HA HIS 89 HA HIS 89 15.271 12.926 -24.447 662 1HB HIS 89 HB2 HIS 89 16.801 13.333 -26.455 663 2HB HIS 89 HB3 HIS 89 17.576 11.798 -26.061 664 HD1 HIS 89 HD1 HIS 89 14.092 13.193 -27.039 665 HD2 HIS 89 HD2 HIS 89 16.335 9.623 -26.968 666 HE1 HIS 89 HE1 HIS 89 12.737 11.456 -28.335 667 H VAL 90 H VAL 90 14.514 10.812 -24.051 668 HA VAL 90 HA VAL 90 16.270 9.021 -22.433 669 HB VAL 90 HB VAL 90 13.303 9.619 -22.055 670 1HG1 VAL 90 HG11 VAL 90 15.246 8.068 -20.289 671 2HG1 VAL 90 HG12 VAL 90 13.543 8.413 -19.927 672 3HG1 VAL 90 HG13 VAL 90 13.965 7.379 -21.296 673 1HG2 VAL 90 HG21 VAL 90 15.663 10.725 -20.484 674 2HG2 VAL 90 HG22 VAL 90 14.449 11.638 -21.399 675 3HG2 VAL 90 HG23 VAL 90 13.973 10.779 -19.937 676 H TYR 91 H TYR 91 16.268 6.878 -23.161 677 HA TYR 91 HA TYR 91 14.112 5.835 -24.811 678 1HB TYR 91 HB2 TYR 91 15.206 5.675 -26.849 679 2HB TYR 91 HB3 TYR 91 15.535 7.317 -26.372 680 HD1 TYR 91 HD1 TYR 91 17.917 7.522 -24.896 681 HD2 TYR 91 HD2 TYR 91 16.921 4.485 -27.788 682 HE1 TYR 91 HE1 TYR 91 20.317 7.030 -25.215 683 HE2 TYR 91 HE2 TYR 91 19.292 4.019 -28.162 684 HH TYR 91 HH TYR 91 21.478 4.540 -27.543 685 H GLY 92 H GLY 92 15.276 3.593 -25.877 686 1HA GLY 92 HA2 GLY 92 16.620 1.760 -25.546 687 2HA GLY 92 HA3 GLY 92 17.370 2.548 -24.163 688 H TYR 93 H TYR 93 17.241 0.372 -23.232 689 HA TYR 93 HA TYR 93 14.878 0.067 -21.573 690 1HB TYR 93 HB2 TYR 93 14.591 -2.288 -22.067 691 2HB TYR 93 HB3 TYR 93 14.358 -1.376 -23.543 692 HD1 TYR 93 HD1 TYR 93 16.313 -1.321 -25.259 693 HD2 TYR 93 HD2 TYR 93 16.138 -4.078 -21.947 694 HE1 TYR 93 HE1 TYR 93 17.998 -2.749 -26.366 695 HE2 TYR 93 HE2 TYR 93 17.824 -5.514 -23.043 696 HH TYR 93 HH TYR 93 19.266 -4.701 -26.237 697 H SER 94 H SER 94 15.465 -1.163 -19.603 698 HA SER 94 HA SER 94 18.271 -1.007 -18.971 699 1HB SER 94 HB2 SER 94 16.824 -0.697 -17.149 700 2HB SER 94 HB3 SER 94 15.904 -2.175 -17.495 701 HG SER 94 HG SER 94 17.700 -2.110 -15.784 702 H MET 95 H MET 95 19.796 -2.465 -19.384 703 HA MET 95 HA MET 95 19.369 -4.887 -20.784 704 1HB MET 95 HB2 MET 95 21.495 -3.530 -20.625 705 2HB MET 95 HB3 MET 95 21.714 -4.140 -18.982 706 1HG MET 95 HG2 MET 95 23.085 -5.374 -20.562 707 2HG MET 95 HG3 MET 95 21.884 -6.441 -19.852 708 1HE MET 95 HE1 MET 95 22.389 -7.974 -23.414 709 2HE MET 95 HE2 MET 95 23.619 -7.232 -22.367 710 3HE MET 95 HE3 MET 95 22.367 -8.281 -21.664 711 H ALA 96 H ALA 96 18.907 -4.165 -17.390 712 HA ALA 96 HA ALA 96 19.014 -7.059 -16.664 713 1HB ALA 96 HB1 ALA 96 19.267 -6.239 -14.363 714 2HB ALA 96 HB2 ALA 96 20.534 -5.577 -15.414 715 3HB ALA 96 HB3 ALA 96 19.155 -4.560 -14.928 716 H TYR 97 H TYR 97 16.870 -4.223 -16.796 717 HA TYR 97 HA TYR 97 14.687 -5.848 -15.565 718 1HB TYR 97 HB2 TYR 97 15.210 -2.891 -15.147 719 2HB TYR 97 HB3 TYR 97 14.016 -3.882 -14.323 720 HD1 TYR 97 HD1 TYR 97 16.944 -2.238 -13.687 721 HD2 TYR 97 HD2 TYR 97 15.276 -6.202 -13.306 722 HE1 TYR 97 HE1 TYR 97 18.600 -2.760 -11.940 723 HE2 TYR 97 HE2 TYR 97 16.936 -6.737 -11.557 724 HH TYR 97 HH TYR 97 19.432 -4.410 -10.464 725 H GLY 98 H GLY 98 15.449 -4.527 -18.518 726 1HA GLY 98 HA2 GLY 98 14.076 -4.336 -20.347 727 2HA GLY 98 HA3 GLY 98 12.666 -4.627 -19.327 728 HA PRO 99 HA PRO 99 12.993 -0.146 -20.698 729 1HB PRO 99 HB2 PRO 99 10.632 0.108 -22.072 730 2HB PRO 99 HB3 PRO 99 12.138 -0.518 -22.805 731 1HG PRO 99 HG2 PRO 99 9.803 -2.100 -21.707 732 2HG PRO 99 HG3 PRO 99 10.689 -2.349 -23.242 733 1HD PRO 99 HD2 PRO 99 11.208 -3.802 -20.978 734 2HD PRO 99 HD3 PRO 99 12.492 -3.374 -22.145 735 H ALA 100 H ALA 100 12.443 1.351 -19.268 736 HA ALA 100 HA ALA 100 10.354 0.979 -17.256 737 1HB ALA 100 HB1 ALA 100 11.041 3.387 -16.747 738 2HB ALA 100 HB2 ALA 100 12.373 2.242 -16.686 739 3HB ALA 100 HB3 ALA 100 12.164 3.269 -18.114 740 H GLN 101 H GLN 101 8.750 2.770 -16.949 741 HA GLN 101 HA GLN 101 7.285 3.496 -19.400 742 1HB GLN 101 HB2 GLN 101 6.824 3.973 -16.417 743 2HB GLN 101 HB3 GLN 101 5.825 4.704 -17.683 744 1HG GLN 101 HG2 GLN 101 5.137 2.548 -18.513 745 2HG GLN 101 HG3 GLN 101 6.211 1.705 -17.383 746 1HE2 GLN 101 HE22 GLN 101 3.268 3.768 -17.590 747 2HE2 GLN 101 HE21 GLN 101 2.634 3.310 -16.031 748 H HIS 102 H HIS 102 9.298 4.602 -20.218 749 HA HIS 102 HA HIS 102 10.601 6.688 -18.953 750 1HB HIS 102 HB2 HIS 102 10.051 6.336 -21.915 751 2HB HIS 102 HB3 HIS 102 11.300 7.384 -21.239 752 HD1 HIS 102 HD1 HIS 102 10.938 3.907 -22.474 753 HD2 HIS 102 HD2 HIS 102 12.993 5.880 -19.385 754 HE1 HIS 102 HE1 HIS 102 12.775 2.322 -21.680 755 H ALA 103 H ALA 103 7.398 6.862 -20.347 756 HA ALA 103 HA ALA 103 7.050 9.636 -20.668 757 1HB ALA 103 HB1 ALA 103 5.350 7.947 -21.260 758 2HB ALA 103 HB2 ALA 103 5.142 7.524 -19.546 759 3HB ALA 103 HB3 ALA 103 4.675 9.136 -20.130 760 H ILE 104 H ILE 104 7.170 7.647 -17.682 761 HA ILE 104 HA ILE 104 6.273 9.676 -15.857 762 HB ILE 104 HB ILE 104 8.080 7.246 -15.443 763 1HG1 ILE 104 HG12 ILE 104 5.788 6.670 -16.303 764 2HG1 ILE 104 HG13 ILE 104 6.172 6.004 -14.724 765 1HG2 ILE 104 HG21 ILE 104 8.444 8.646 -13.581 766 2HG2 ILE 104 HG22 ILE 104 6.724 9.059 -13.422 767 3HG2 ILE 104 HG23 ILE 104 7.296 7.419 -13.034 768 1HD1 ILE 104 HD11 ILE 104 4.553 8.565 -15.094 769 2HD1 ILE 104 HD12 ILE 104 3.853 6.928 -14.925 770 3HD1 ILE 104 HD13 ILE 104 4.803 7.617 -13.598 771 H SER 105 H SER 105 9.526 8.617 -17.014 772 HA SER 105 HA SER 105 11.062 10.326 -15.443 773 1HB SER 105 HB2 SER 105 11.643 9.476 -18.304 774 2HB SER 105 HB3 SER 105 12.796 9.894 -17.042 775 HG SER 105 HG SER 105 12.498 7.620 -17.258 776 H THR 106 H THR 106 9.815 10.882 -18.812 777 HA THR 106 HA THR 106 10.819 13.531 -18.904 778 HB THR 106 HB THR 106 9.107 13.791 -20.797 779 HG1 THR 106 HG1 THR 106 7.646 12.143 -20.150 780 1HG2 THR 106 HG21 THR 106 11.018 11.411 -20.888 781 2HG2 THR 106 HG22 THR 106 10.376 12.322 -22.271 782 3HG2 THR 106 HG23 THR 106 11.478 13.107 -21.134 783 H GLU 107 H GLU 107 7.589 12.337 -17.774 784 HA GLU 107 HA GLU 107 6.486 14.923 -17.446 785 1HB GLU 107 HB2 GLU 107 5.905 12.191 -16.185 786 2HB GLU 107 HB3 GLU 107 5.098 13.647 -15.605 787 1HG GLU 107 HG2 GLU 107 4.275 14.159 -17.869 788 2HG GLU 107 HG3 GLU 107 5.070 12.726 -18.508 789 H LYS 108 H LYS 108 8.274 12.858 -15.086 790 HA LYS 108 HA LYS 108 8.098 14.796 -12.966 791 1HB LYS 108 HB2 LYS 108 9.914 12.397 -13.453 792 2HB LYS 108 HB3 LYS 108 9.992 13.400 -11.996 793 1HG LYS 108 HG2 LYS 108 7.725 12.910 -11.386 794 2HG LYS 108 HG3 LYS 108 7.450 11.999 -12.882 795 1HD LYS 108 HD2 LYS 108 9.053 10.314 -12.254 796 2HD LYS 108 HD3 LYS 108 9.589 11.221 -10.836 797 1HE LYS 108 HE2 LYS 108 6.668 10.463 -11.162 798 2HE LYS 108 HE3 LYS 108 7.827 9.262 -10.567 799 1HZ LYS 108 HZ1 LYS 108 7.953 11.834 -9.229 800 2HZ LYS 108 HZ2 LYS 108 6.603 10.916 -8.929 801 3HZ LYS 108 HZ3 LYS 108 8.116 10.343 -8.646 802 H ILE 109 H ILE 109 10.732 14.080 -15.351 803 HA ILE 109 HA ILE 109 12.534 15.986 -14.236 804 HB ILE 109 HB ILE 109 12.305 14.767 -17.005 805 1HG1 ILE 109 HG12 ILE 109 14.430 14.301 -14.853 806 2HG1 ILE 109 HG13 ILE 109 12.958 13.338 -14.926 807 1HG2 ILE 109 HG21 ILE 109 14.591 16.465 -15.908 808 2HG2 ILE 109 HG22 ILE 109 14.606 15.603 -17.438 809 3HG2 ILE 109 HG23 ILE 109 13.497 16.951 -17.215 810 1HD1 ILE 109 HD11 ILE 109 15.093 13.484 -17.099 811 2HD1 ILE 109 HD12 ILE 109 14.728 12.124 -16.038 812 3HD1 ILE 109 HD13 ILE 109 13.544 12.627 -17.259 813 H LYS 110 H LYS 110 9.989 16.375 -16.856 814 HA LYS 110 HA LYS 110 10.667 19.128 -17.266 815 1HB LYS 110 HB2 LYS 110 8.088 17.574 -17.736 816 2HB LYS 110 HB3 LYS 110 8.249 19.302 -18.065 817 1HG LYS 110 HG2 LYS 110 10.210 18.817 -19.563 818 2HG LYS 110 HG3 LYS 110 9.939 17.092 -19.323 819 1HD LYS 110 HD2 LYS 110 8.989 17.812 -21.439 820 2HD LYS 110 HD3 LYS 110 7.696 17.281 -20.347 821 1HE LYS 110 HE2 LYS 110 7.011 19.529 -19.886 822 2HE LYS 110 HE3 LYS 110 8.499 20.218 -20.551 823 1HZ LYS 110 HZ1 LYS 110 6.613 18.774 -22.297 824 2HZ LYS 110 HZ2 LYS 110 6.427 20.359 -21.951 825 3HZ LYS 110 HZ3 LYS 110 7.786 19.884 -22.697 826 H ALA 111 H ALA 111 8.402 17.591 -14.913 827 HA ALA 111 HA ALA 111 7.356 20.037 -13.922 828 1HB ALA 111 HB1 ALA 111 7.712 17.362 -12.494 829 2HB ALA 111 HB2 ALA 111 6.668 18.698 -11.968 830 3HB ALA 111 HB3 ALA 111 6.319 17.850 -13.486 831 H LYS 112 H LYS 112 10.180 18.084 -12.793 832 HA LYS 112 HA LYS 112 10.768 19.975 -10.641 833 1HB LYS 112 HB2 LYS 112 12.026 17.416 -11.680 834 2HB LYS 112 HB3 LYS 112 12.925 18.457 -10.587 835 1HG LYS 112 HG2 LYS 112 11.805 16.713 -9.332 836 2HG LYS 112 HG3 LYS 112 11.227 18.315 -8.873 837 1HD LYS 112 HD2 LYS 112 9.142 17.947 -10.196 838 2HD LYS 112 HD3 LYS 112 9.764 16.372 -10.707 839 1HE LYS 112 HE2 LYS 112 8.165 16.025 -8.967 840 2HE LYS 112 HE3 LYS 112 9.761 15.599 -8.369 841 1HZ LYS 112 HZ1 LYS 112 8.491 16.899 -6.757 842 2HZ LYS 112 HZ2 LYS 112 9.814 17.742 -7.197 843 3HZ LYS 112 HZ3 LYS 112 8.342 18.145 -7.790 844 H TYR 113 H TYR 113 11.724 19.667 -13.962 845 HA TYR 113 HA TYR 113 13.177 20.614 -15.287 846 1HB TYR 113 HB2 TYR 113 11.476 22.458 -14.560 847 2HB TYR 113 HB3 TYR 113 12.861 23.234 -13.831 848 HD1 TYR 113 HD1 TYR 113 11.282 22.054 -16.964 849 HD2 TYR 113 HD2 TYR 113 14.613 24.238 -15.301 850 HE1 TYR 113 HE1 TYR 113 11.796 22.969 -19.208 851 HE2 TYR 113 HE2 TYR 113 15.136 25.155 -17.539 852 HH TYR 113 HH TYR 113 14.524 25.228 -19.799 853 HA PRO 114 HA PRO 114 16.596 20.344 -12.098 854 1HB PRO 114 HB2 PRO 114 17.807 18.004 -12.851 855 2HB PRO 114 HB3 PRO 114 16.329 18.045 -11.841 856 1HG PRO 114 HG2 PRO 114 16.517 17.660 -14.839 857 2HG PRO 114 HG3 PRO 114 15.610 16.672 -13.646 858 1HD PRO 114 HD2 PRO 114 14.414 18.652 -15.089 859 2HD PRO 114 HD3 PRO 114 13.961 18.322 -13.387 860 H ASP 115 H ASP 115 16.527 20.352 -15.601 861 HA ASP 115 HA ASP 115 18.995 21.933 -15.647 862 1HB ASP 115 HB2 ASP 115 19.959 19.720 -15.961 863 2HB ASP 115 HB3 ASP 115 18.764 19.327 -17.202 864 H TYR 116 H TYR 116 16.559 20.244 -17.767 865 HA TYR 116 HA TYR 116 15.735 22.743 -18.979 866 1HB TYR 116 HB2 TYR 116 18.006 21.933 -20.066 867 2HB TYR 116 HB3 TYR 116 17.015 20.702 -20.825 868 HD1 TYR 116 HD1 TYR 116 17.421 24.391 -20.323 869 HD2 TYR 116 HD2 TYR 116 15.803 21.282 -22.833 870 HE1 TYR 116 HE1 TYR 116 16.899 26.077 -22.062 871 HE2 TYR 116 HE2 TYR 116 15.287 22.953 -24.581 872 HH TYR 116 HH TYR 116 15.363 25.209 -25.196 873 H GLU 117 H GLU 117 14.271 22.007 -21.015 874 HA GLU 117 HA GLU 117 12.295 20.071 -20.154 875 1HB GLU 117 HB2 GLU 117 11.599 21.889 -21.581 876 2HB GLU 117 HB3 GLU 117 12.838 21.513 -22.790 877 1HG GLU 117 HG2 GLU 117 11.696 19.434 -23.384 878 2HG GLU 117 HG3 GLU 117 10.549 19.645 -22.055 879 H VAL 118 H VAL 118 11.876 18.000 -21.320 880 HA VAL 118 HA VAL 118 14.189 16.833 -22.692 881 HB VAL 118 HB VAL 118 14.053 14.805 -21.276 882 1HG1 VAL 118 HG11 VAL 118 15.653 16.767 -20.846 883 2HG1 VAL 118 HG12 VAL 118 14.620 17.200 -19.490 884 3HG1 VAL 118 HG13 VAL 118 15.418 15.609 -19.526 885 1HG2 VAL 118 HG21 VAL 118 11.692 15.232 -20.393 886 2HG2 VAL 118 HG22 VAL 118 12.897 14.731 -19.195 887 3HG2 VAL 118 HG23 VAL 118 12.388 16.435 -19.304 888 H THR 119 H THR 119 13.596 14.633 -23.592 889 HA THR 119 HA THR 119 10.728 14.349 -24.296 890 HB THR 119 HB THR 119 11.540 13.953 -26.694 891 HG1 THR 119 HG1 THR 119 13.766 15.451 -25.758 892 1HG2 THR 119 HG21 THR 119 11.767 16.809 -25.670 893 2HG2 THR 119 HG22 THR 119 11.453 16.288 -27.341 894 3HG2 THR 119 HG23 THR 119 10.262 15.952 -26.073 895 H TRP 120 H TRP 120 10.502 12.167 -25.605 896 HA TRP 120 HA TRP 120 12.636 10.282 -25.084 897 1HB TRP 120 HB2 TRP 120 11.373 8.640 -23.906 898 2HB TRP 120 HB3 TRP 120 11.215 10.124 -22.993 899 HD1 TRP 120 HD1 TRP 120 8.733 11.467 -23.718 900 HE1 TRP 120 HE1 TRP 120 6.411 10.426 -23.732 901 HE3 TRP 120 HE3 TRP 120 10.078 6.566 -24.359 902 HZ2 TRP 120 HZ2 TRP 120 5.263 7.763 -23.899 903 HZ3 TRP 120 HZ3 TRP 120 8.349 4.796 -24.347 904 HH2 TRP 120 HH2 TRP 120 5.944 5.377 -24.136 905 H ALA 121 H ALA 121 12.255 8.213 -26.174 906 HA ALA 121 HA ALA 121 9.942 8.009 -27.920 907 1HB ALA 121 HB1 ALA 121 11.547 9.201 -29.410 908 2HB ALA 121 HB2 ALA 121 12.781 7.961 -29.080 909 3HB ALA 121 HB3 ALA 121 11.298 7.534 -29.956 910 H ASN 122 H ASN 122 9.357 5.869 -27.994 911 HA ASN 122 HA ASN 122 10.923 3.902 -26.512 912 1HB ASN 122 HB2 ASN 122 8.458 3.941 -26.425 913 2HB ASN 122 HB3 ASN 122 8.371 3.661 -28.165 914 1HD2 ASN 122 HD22 ASN 122 9.794 2.157 -25.163 915 2HD2 ASN 122 HD21 ASN 122 9.663 0.520 -25.762 916 H ASP 123 H ASP 123 10.718 4.926 -29.833 917 HA ASP 123 HA ASP 123 11.041 2.547 -31.236 918 1HB ASP 123 HB2 ASP 123 10.441 4.682 -32.265 919 2HB ASP 123 HB3 ASP 123 12.038 5.341 -31.894 920 H GLY 124 H GLY 124 13.549 4.467 -29.633 921 1HA GLY 124 HA2 GLY 124 15.760 2.981 -30.896 922 2HA GLY 124 HA3 GLY 124 15.901 4.256 -29.693 923 H TYR 125 H TYR 125 16.464 1.098 -30.135 924 HA TYR 125 HA TYR 125 16.573 0.499 -27.262 925 1HB TYR 125 HB2 TYR 125 15.545 -1.375 -29.435 926 2HB TYR 125 HB3 TYR 125 16.160 -1.931 -27.897 927 HD1 TYR 125 HD1 TYR 125 14.666 0.446 -26.264 928 HD2 TYR 125 HD2 TYR 125 13.484 -2.592 -29.093 929 HE1 TYR 125 HE1 TYR 125 12.449 0.341 -25.211 930 HE2 TYR 125 HE2 TYR 125 11.250 -2.697 -28.047 931 HH TYR 125 HH TYR 125 9.884 -1.926 -26.329 Start of MODEL 9 1 1H MET 1 H1 MET 1 16.149 10.278 15.015 2 2H MET 1 H2 MET 1 14.846 11.183 15.415 3 3H MET 1 H3 MET 1 14.686 9.566 15.250 4 HA MET 1 HA MET 1 15.322 11.457 13.087 5 1HB MET 1 HB2 MET 1 14.838 8.443 12.971 6 2HB MET 1 HB3 MET 1 14.867 9.521 11.572 7 1HG MET 1 HG2 MET 1 17.211 10.121 12.054 8 2HG MET 1 HG3 MET 1 17.212 9.014 13.436 9 1HE MET 1 HE1 MET 1 19.382 8.947 11.108 10 2HE MET 1 HE2 MET 1 19.387 7.837 12.498 11 3HE MET 1 HE3 MET 1 19.528 7.196 10.846 12 H ALA 2 H ALA 2 13.556 12.520 12.307 13 HA ALA 2 HA ALA 2 10.869 11.966 13.219 14 1HB ALA 2 HB1 ALA 2 10.238 13.653 11.528 15 2HB ALA 2 HB2 ALA 2 11.598 14.225 12.512 16 3HB ALA 2 HB3 ALA 2 11.882 13.622 10.860 17 H VAL 3 H VAL 3 9.128 11.103 11.959 18 HA VAL 3 HA VAL 3 9.826 8.984 10.076 19 HB VAL 3 HB VAL 3 7.095 10.074 10.894 20 1HG1 VAL 3 HG11 VAL 3 7.894 7.412 9.619 21 2HG1 VAL 3 HG12 VAL 3 6.260 7.881 10.138 22 3HG1 VAL 3 HG13 VAL 3 7.033 8.738 8.809 23 1HG2 VAL 3 HG21 VAL 3 8.697 7.750 12.057 24 2HG2 VAL 3 HG22 VAL 3 8.240 9.243 12.900 25 3HG2 VAL 3 HG23 VAL 3 6.994 8.098 12.412 26 H ALA 4 H ALA 4 10.444 9.572 8.050 27 HA ALA 4 HA ALA 4 9.636 12.056 6.789 28 1HB ALA 4 HB1 ALA 4 10.887 11.234 4.865 29 2HB ALA 4 HB2 ALA 4 11.825 10.938 6.335 30 3HB ALA 4 HB3 ALA 4 10.957 9.603 5.545 31 H ASP 5 H ASP 5 8.808 11.619 4.301 32 HA ASP 5 HA ASP 5 6.541 9.746 4.233 33 1HB ASP 5 HB2 ASP 5 5.562 11.759 5.268 34 2HB ASP 5 HB3 ASP 5 6.261 12.777 4.006 35 H LEU 6 H LEU 6 5.785 9.501 2.010 36 HA LEU 6 HA LEU 6 7.782 9.322 0.085 37 1HB LEU 6 HB2 LEU 6 4.755 9.548 -0.170 38 2HB LEU 6 HB3 LEU 6 5.808 9.254 -1.527 39 HG LEU 6 HG LEU 6 5.364 7.405 0.828 40 1HD1 LEU 6 HD11 LEU 6 4.465 5.908 -0.948 41 2HD1 LEU 6 HD12 LEU 6 3.570 7.430 -0.842 42 3HD1 LEU 6 HD13 LEU 6 4.730 7.178 -2.153 43 1HD2 LEU 6 HD21 LEU 6 6.794 5.767 -0.460 44 2HD2 LEU 6 HD22 LEU 6 7.350 7.119 -1.461 45 3HD2 LEU 6 HD23 LEU 6 7.678 7.091 0.289 46 H ALA 7 H ALA 7 5.641 12.132 0.726 47 HA ALA 7 HA ALA 7 6.210 13.466 -1.716 48 1HB ALA 7 HB1 ALA 7 5.251 15.434 -0.594 49 2HB ALA 7 HB2 ALA 7 4.270 13.991 -0.274 50 3HB ALA 7 HB3 ALA 7 5.371 14.619 0.978 51 H LEU 8 H LEU 8 8.129 13.087 1.192 52 HA LEU 8 HA LEU 8 9.717 15.532 0.755 53 1HB LEU 8 HB2 LEU 8 10.110 13.253 2.736 54 2HB LEU 8 HB3 LEU 8 10.963 14.791 2.731 55 HG LEU 8 HG LEU 8 7.992 14.392 3.280 56 1HD1 LEU 8 HD11 LEU 8 8.556 15.084 5.557 57 2HD1 LEU 8 HD12 LEU 8 9.516 13.672 5.095 58 3HD1 LEU 8 HD13 LEU 8 10.264 15.280 5.105 59 1HD2 LEU 8 HD21 LEU 8 9.630 16.967 3.252 60 2HD2 LEU 8 HD22 LEU 8 8.274 16.558 2.176 61 3HD2 LEU 8 HD23 LEU 8 7.981 16.808 3.896 62 H ILE 9 H ILE 9 9.763 12.225 -0.292 63 HA ILE 9 HA ILE 9 12.547 11.753 -0.420 64 HB ILE 9 HB ILE 9 10.235 10.642 -2.063 65 1HG1 ILE 9 HG12 ILE 9 11.646 9.744 0.492 66 2HG1 ILE 9 HG13 ILE 9 9.970 10.266 0.340 67 1HG2 ILE 9 HG21 ILE 9 11.668 8.764 -2.661 68 2HG2 ILE 9 HG22 ILE 9 12.419 10.251 -3.215 69 3HG2 ILE 9 HG23 ILE 9 13.016 9.461 -1.743 70 1HD1 ILE 9 HD11 ILE 9 9.545 8.258 -1.125 71 2HD1 ILE 9 HD12 ILE 9 11.169 7.682 -0.674 72 3HD1 ILE 9 HD13 ILE 9 9.942 7.911 0.576 73 HA PRO 10 HA PRO 10 13.526 14.556 -3.849 74 1HB PRO 10 HB2 PRO 10 15.848 13.388 -4.814 75 2HB PRO 10 HB3 PRO 10 15.750 14.435 -3.369 76 1HG PRO 10 HG2 PRO 10 15.765 11.413 -3.481 77 2HG PRO 10 HG3 PRO 10 16.676 12.490 -2.379 78 1HD PRO 10 HD2 PRO 10 14.381 11.266 -1.615 79 2HD PRO 10 HD3 PRO 10 14.751 12.928 -1.079 80 H ASP 11 H ASP 11 12.116 14.427 -5.467 81 HA ASP 11 HA ASP 11 11.138 12.007 -6.532 82 1HB ASP 11 HB2 ASP 11 9.953 14.212 -6.217 83 2HB ASP 11 HB3 ASP 11 10.801 14.821 -7.644 84 H VAL 12 H VAL 12 13.460 14.350 -7.868 85 HA VAL 12 HA VAL 12 14.196 12.453 -10.031 86 HB VAL 12 HB VAL 12 13.746 15.455 -10.358 87 1HG1 VAL 12 HG11 VAL 12 14.278 15.092 -12.734 88 2HG1 VAL 12 HG12 VAL 12 15.660 14.689 -11.724 89 3HG1 VAL 12 HG13 VAL 12 14.663 13.385 -12.412 90 1HG2 VAL 12 HG21 VAL 12 12.240 13.102 -11.577 91 2HG2 VAL 12 HG22 VAL 12 11.602 14.270 -10.401 92 3HG2 VAL 12 HG23 VAL 12 12.032 14.810 -12.023 93 H ASP 13 H ASP 13 16.435 12.304 -10.209 94 HA ASP 13 HA ASP 13 18.097 14.528 -9.431 95 1HB ASP 13 HB2 ASP 13 17.870 13.389 -7.217 96 2HB ASP 13 HB3 ASP 13 18.467 11.899 -7.937 97 H ILE 14 H ILE 14 19.228 14.637 -11.252 98 HA ILE 14 HA ILE 14 20.641 12.299 -12.293 99 HB ILE 14 HB ILE 14 20.103 13.019 -14.639 100 1HG1 ILE 14 HG12 ILE 14 17.686 14.462 -13.439 101 2HG1 ILE 14 HG13 ILE 14 19.103 15.270 -14.118 102 1HG2 ILE 14 HG21 ILE 14 17.693 11.961 -13.102 103 2HG2 ILE 14 HG22 ILE 14 18.109 11.649 -14.803 104 3HG2 ILE 14 HG23 ILE 14 19.131 11.012 -13.521 105 1HD1 ILE 14 HD11 ILE 14 18.639 14.180 -16.321 106 2HD1 ILE 14 HD12 ILE 14 17.131 13.525 -15.634 107 3HD1 ILE 14 HD13 ILE 14 17.356 15.274 -15.763 108 H ASP 15 H ASP 15 22.692 12.902 -12.931 109 HA ASP 15 HA ASP 15 23.454 15.747 -13.014 110 1HB ASP 15 HB2 ASP 15 23.300 15.327 -10.602 111 2HB ASP 15 HB3 ASP 15 24.341 13.912 -10.754 112 H SER 16 H SER 16 23.708 14.521 -15.172 113 HA SER 16 HA SER 16 26.520 14.060 -15.622 114 1HB SER 16 HB2 SER 16 24.492 11.812 -15.947 115 2HB SER 16 HB3 SER 16 26.075 11.817 -16.758 116 HG SER 16 HG SER 16 26.083 12.386 -14.046 117 H ASP 17 H ASP 17 26.690 13.490 -18.156 118 HA ASP 17 HA ASP 17 24.658 14.816 -19.792 119 1HB ASP 17 HB2 ASP 17 25.933 16.707 -18.804 120 2HB ASP 17 HB3 ASP 17 27.444 15.974 -19.346 121 H GLY 18 H GLY 18 25.496 14.818 -22.121 122 1HA GLY 18 HA2 GLY 18 26.611 13.891 -23.920 123 2HA GLY 18 HA3 GLY 18 27.669 12.993 -22.821 124 H VAL 19 H VAL 19 26.842 11.033 -21.835 125 HA VAL 19 HA VAL 19 24.291 9.919 -22.654 126 HB VAL 19 HB VAL 19 26.889 8.426 -23.270 127 1HG1 VAL 19 HG11 VAL 19 23.981 7.564 -23.661 128 2HG1 VAL 19 HG12 VAL 19 25.412 6.673 -24.219 129 3HG1 VAL 19 HG13 VAL 19 25.134 6.890 -22.494 130 1HG2 VAL 19 HG21 VAL 19 26.539 10.031 -25.062 131 2HG2 VAL 19 HG22 VAL 19 26.153 8.414 -25.644 132 3HG2 VAL 19 HG23 VAL 19 24.840 9.533 -25.227 133 H PHE 20 H PHE 20 23.548 8.758 -20.836 134 HA PHE 20 HA PHE 20 25.403 7.365 -19.115 135 1HB PHE 20 HB2 PHE 20 24.712 8.433 -17.022 136 2HB PHE 20 HB3 PHE 20 25.624 9.523 -18.036 137 HD1 PHE 20 HD1 PHE 20 22.468 8.959 -16.318 138 HD2 PHE 20 HD2 PHE 20 24.430 11.394 -19.289 139 HE1 PHE 20 HE1 PHE 20 20.775 10.742 -15.979 140 HE2 PHE 20 HE2 PHE 20 22.703 13.150 -18.982 141 HZ PHE 20 HZ PHE 20 20.895 12.842 -17.305 142 H LYS 21 H LYS 21 24.130 6.072 -17.446 143 HA LYS 21 HA LYS 21 21.621 5.198 -18.784 144 1HB LYS 21 HB2 LYS 21 23.562 3.841 -16.866 145 2HB LYS 21 HB3 LYS 21 21.975 3.181 -17.185 146 1HG LYS 21 HG2 LYS 21 23.672 2.043 -18.479 147 2HG LYS 21 HG3 LYS 21 22.486 2.818 -19.521 148 1HD LYS 21 HD2 LYS 21 24.018 4.551 -20.154 149 2HD LYS 21 HD3 LYS 21 25.196 4.090 -18.915 150 1HE LYS 21 HE2 LYS 21 24.352 2.162 -21.112 151 2HE LYS 21 HE3 LYS 21 25.576 3.402 -21.410 152 1HZ LYS 21 HZ1 LYS 21 25.815 1.373 -19.261 153 2HZ LYS 21 HZ2 LYS 21 26.554 1.294 -20.724 154 3HZ LYS 21 HZ3 LYS 21 26.937 2.492 -19.672 155 H TYR 22 H TYR 22 19.824 4.515 -17.395 156 HA TYR 22 HA TYR 22 19.588 5.982 -14.847 157 1HB TYR 22 HB2 TYR 22 18.441 7.647 -15.778 158 2HB TYR 22 HB3 TYR 22 18.628 6.954 -17.367 159 HD1 TYR 22 HD1 TYR 22 16.238 7.988 -14.976 160 HD2 TYR 22 HD2 TYR 22 16.996 4.928 -17.906 161 HE1 TYR 22 HE1 TYR 22 13.801 7.521 -15.128 162 HE2 TYR 22 HE2 TYR 22 14.594 4.378 -17.975 163 HH TYR 22 HH TYR 22 12.150 6.419 -16.321 164 H VAL 23 H VAL 23 17.431 5.437 -13.812 165 HA VAL 23 HA VAL 23 16.205 2.941 -14.643 166 HB VAL 23 HB VAL 23 18.206 2.300 -13.229 167 1HG1 VAL 23 HG11 VAL 23 16.618 3.535 -10.943 168 2HG1 VAL 23 HG12 VAL 23 18.089 2.557 -10.796 169 3HG1 VAL 23 HG13 VAL 23 18.139 4.143 -11.593 170 1HG2 VAL 23 HG21 VAL 23 17.075 0.612 -11.923 171 2HG2 VAL 23 HG22 VAL 23 15.522 1.458 -12.089 172 3HG2 VAL 23 HG23 VAL 23 16.332 0.766 -13.516 173 H LEU 24 H LEU 24 14.147 2.640 -13.508 174 HA LEU 24 HA LEU 24 13.089 5.126 -12.232 175 1HB LEU 24 HB2 LEU 24 12.284 4.639 -14.581 176 2HB LEU 24 HB3 LEU 24 11.652 3.105 -14.014 177 HG LEU 24 HG LEU 24 10.104 4.401 -12.455 178 1HD1 LEU 24 HD11 LEU 24 11.142 6.791 -14.048 179 2HD1 LEU 24 HD12 LEU 24 9.758 6.797 -12.935 180 3HD1 LEU 24 HD13 LEU 24 11.374 6.523 -12.304 181 1HD2 LEU 24 HD21 LEU 24 9.922 5.047 -15.431 182 2HD2 LEU 24 HD22 LEU 24 9.352 3.554 -14.639 183 3HD2 LEU 24 HD23 LEU 24 8.584 5.099 -14.258 184 H ILE 25 H ILE 25 12.709 4.635 -10.058 185 HA ILE 25 HA ILE 25 12.047 1.793 -9.488 186 HB ILE 25 HB ILE 25 13.540 1.492 -8.029 187 1HG1 ILE 25 HG12 ILE 25 13.456 4.255 -6.809 188 2HG1 ILE 25 HG13 ILE 25 12.401 2.927 -6.325 189 1HG2 ILE 25 HG21 ILE 25 14.925 4.055 -8.872 190 2HG2 ILE 25 HG22 ILE 25 15.686 2.639 -8.143 191 3HG2 ILE 25 HG23 ILE 25 14.971 2.495 -9.749 192 1HD1 ILE 25 HD11 ILE 25 14.162 2.989 -4.756 193 2HD1 ILE 25 HD12 ILE 25 14.401 1.554 -5.772 194 3HD1 ILE 25 HD13 ILE 25 15.409 3.010 -6.005 195 H ARG 26 H ARG 26 10.336 1.323 -8.405 196 HA ARG 26 HA ARG 26 8.449 3.418 -7.560 197 1HB ARG 26 HB2 ARG 26 7.664 1.385 -8.699 198 2HB ARG 26 HB3 ARG 26 8.371 0.358 -7.458 199 1HG ARG 26 HG2 ARG 26 6.795 0.976 -5.828 200 2HG ARG 26 HG3 ARG 26 6.359 2.481 -6.641 201 1HD ARG 26 HD2 ARG 26 5.725 -0.264 -7.797 202 2HD ARG 26 HD3 ARG 26 4.611 0.657 -6.761 203 HE ARG 26 HE ARG 26 5.366 2.470 -8.685 204 1HH1 ARG 26 HH11 ARG 26 3.720 -0.682 -8.818 205 2HH1 ARG 26 HH12 ARG 26 2.871 -0.323 -10.275 206 1HH2 ARG 26 HH21 ARG 26 4.301 2.948 -10.591 207 2HH2 ARG 26 HH22 ARG 26 3.193 1.814 -11.306 208 H VAL 27 H VAL 27 7.960 3.744 -5.387 209 HA VAL 27 HA VAL 27 9.612 2.475 -3.276 210 HB VAL 27 HB VAL 27 8.852 5.427 -3.524 211 1HG1 VAL 27 HG11 VAL 27 10.478 5.775 -1.717 212 2HG1 VAL 27 HG12 VAL 27 9.206 4.668 -1.203 213 3HG1 VAL 27 HG13 VAL 27 10.810 4.041 -1.650 214 1HG2 VAL 27 HG21 VAL 27 10.497 5.043 -5.284 215 2HG2 VAL 27 HG22 VAL 27 11.233 5.939 -3.964 216 3HG2 VAL 27 HG23 VAL 27 11.571 4.201 -4.141 217 H HIS 28 H HIS 28 8.328 2.091 -1.405 218 HA HIS 28 HA HIS 28 5.399 2.718 -1.592 219 1HB HIS 28 HB2 HIS 28 6.817 0.450 -0.150 220 2HB HIS 28 HB3 HIS 28 5.076 0.693 -0.296 221 HD1 HIS 28 HD1 HIS 28 4.241 0.636 -3.100 222 HD2 HIS 28 HD2 HIS 28 7.862 -1.156 -1.910 223 HE1 HIS 28 HE1 HIS 28 4.844 -1.041 -4.911 224 H SER 29 H SER 29 4.392 3.541 0.323 225 HA SER 29 HA SER 29 5.911 5.107 2.098 226 1HB SER 29 HB2 SER 29 3.172 3.947 2.636 227 2HB SER 29 HB3 SER 29 3.844 5.426 3.314 228 HG SER 29 HG SER 29 3.483 6.434 1.436 229 H ALA 30 H ALA 30 7.543 4.017 3.220 230 HA ALA 30 HA ALA 30 6.580 2.721 5.635 231 1HB ALA 30 HB1 ALA 30 8.608 1.257 3.894 232 2HB ALA 30 HB2 ALA 30 8.032 0.756 5.490 233 3HB ALA 30 HB3 ALA 30 6.917 0.791 4.125 234 HA PRO 31 HA PRO 31 10.890 5.111 5.966 235 1HB PRO 31 HB2 PRO 31 9.005 7.383 6.608 236 2HB PRO 31 HB3 PRO 31 10.745 7.444 6.166 237 1HG PRO 31 HG2 PRO 31 8.863 7.886 4.263 238 2HG PRO 31 HG3 PRO 31 10.263 6.842 3.898 239 1HD PRO 31 HD2 PRO 31 7.444 6.031 4.623 240 2HD PRO 31 HD3 PRO 31 8.566 5.324 3.421 241 H ARG 32 H ARG 32 11.743 4.998 7.933 242 HA ARG 32 HA ARG 32 12.005 4.116 9.982 243 1HB ARG 32 HB2 ARG 32 9.960 6.245 10.665 244 2HB ARG 32 HB3 ARG 32 11.124 5.554 11.787 245 1HG ARG 32 HG2 ARG 32 11.897 7.195 9.322 246 2HG ARG 32 HG3 ARG 32 11.687 7.822 10.946 247 1HD ARG 32 HD2 ARG 32 14.000 7.568 10.613 248 2HD ARG 32 HD3 ARG 32 13.496 6.361 11.784 249 HE ARG 32 HE ARG 32 14.031 5.814 8.868 250 1HH1 ARG 32 HH21 ARG 32 14.211 4.686 12.238 251 2HH1 ARG 32 HH22 ARG 32 15.227 3.344 11.876 252 1HH2 ARG 32 HH12 ARG 32 15.586 4.158 8.442 253 2HH2 ARG 32 HH11 ARG 32 15.933 2.985 9.659 254 H SER 33 H SER 33 9.871 2.721 8.435 255 HA SER 33 HA SER 33 8.285 1.188 8.663 256 1HB SER 33 HB2 SER 33 9.521 0.649 11.386 257 2HB SER 33 HB3 SER 33 8.611 -0.486 10.377 258 HG SER 33 HG SER 33 10.878 -0.764 10.182 259 H GLY 34 H GLY 34 7.516 3.892 9.473 260 1HA GLY 34 HA2 GLY 34 5.170 3.261 11.198 261 2HA GLY 34 HA3 GLY 34 6.314 4.522 11.688 262 H ALA 35 H ALA 35 5.713 4.072 8.262 263 HA ALA 35 HA ALA 35 4.792 6.724 7.851 264 1HB ALA 35 HB1 ALA 35 5.888 5.337 6.118 265 2HB ALA 35 HB2 ALA 35 4.468 4.260 6.076 266 3HB ALA 35 HB3 ALA 35 4.325 5.951 5.556 267 HA PRO 36 HA PRO 36 0.548 6.288 8.980 268 1HB PRO 36 HB2 PRO 36 -0.663 8.380 7.712 269 2HB PRO 36 HB3 PRO 36 0.579 8.611 8.978 270 1HG PRO 36 HG2 PRO 36 0.981 8.611 5.965 271 2HG PRO 36 HG3 PRO 36 1.520 9.846 7.150 272 1HD PRO 36 HD2 PRO 36 3.184 7.874 6.288 273 2HD PRO 36 HD3 PRO 36 3.221 8.438 7.985 274 H ALA 37 H ALA 37 1.452 5.409 5.834 275 HA ALA 37 HA ALA 37 -1.165 4.292 5.137 276 1HB ALA 37 HB1 ALA 37 0.252 6.361 3.385 277 2HB ALA 37 HB2 ALA 37 -1.262 5.507 2.999 278 3HB ALA 37 HB3 ALA 37 -1.219 6.670 4.334 279 H ALA 38 H ALA 38 -0.730 3.451 2.665 280 HA ALA 38 HA ALA 38 1.985 2.356 2.307 281 1HB ALA 38 HB1 ALA 38 0.773 0.581 3.507 282 2HB ALA 38 HB2 ALA 38 -0.513 0.624 2.272 283 3HB ALA 38 HB3 ALA 38 1.141 0.130 1.831 284 H GLU 39 H GLU 39 1.301 4.514 1.052 285 HA GLU 39 HA GLU 39 0.028 3.915 -1.533 286 1HB GLU 39 HB2 GLU 39 1.352 6.430 -0.411 287 2HB GLU 39 HB3 GLU 39 0.666 6.290 -2.034 288 1HG GLU 39 HG2 GLU 39 -1.554 5.729 -1.019 289 2HG GLU 39 HG3 GLU 39 -0.871 6.019 0.582 290 H SER 40 H SER 40 1.560 4.871 -3.436 291 HA SER 40 HA SER 40 4.355 4.144 -3.031 292 1HB SER 40 HB2 SER 40 2.879 2.946 -5.385 293 2HB SER 40 HB3 SER 40 4.492 2.556 -4.791 294 HG SER 40 HG SER 40 1.989 1.963 -3.570 295 H LYS 41 H LYS 41 5.720 4.919 -4.790 296 HA LYS 41 HA LYS 41 4.610 6.641 -6.856 297 1HB LYS 41 HB2 LYS 41 5.817 8.674 -6.146 298 2HB LYS 41 HB3 LYS 41 4.575 8.208 -5.013 299 1HG LYS 41 HG2 LYS 41 6.227 8.803 -3.578 300 2HG LYS 41 HG3 LYS 41 6.453 7.068 -3.639 301 1HD LYS 41 HD2 LYS 41 8.594 7.840 -3.632 302 2HD LYS 41 HD3 LYS 41 8.370 7.597 -5.352 303 1HE LYS 41 HE2 LYS 41 8.065 10.264 -3.866 304 2HE LYS 41 HE3 LYS 41 9.542 9.720 -4.658 305 1HZ LYS 41 HZ1 LYS 41 8.279 9.654 -6.776 306 2HZ LYS 41 HZ2 LYS 41 6.980 10.336 -6.009 307 3HZ LYS 41 HZ3 LYS 41 8.382 11.148 -6.190 308 H GLU 42 H GLU 42 6.459 7.492 -8.255 309 HA GLU 42 HA GLU 42 8.685 5.503 -8.279 310 1HB GLU 42 HB2 GLU 42 7.189 7.036 -10.433 311 2HB GLU 42 HB3 GLU 42 8.857 6.549 -10.695 312 1HG GLU 42 HG2 GLU 42 7.521 4.897 -11.686 313 2HG GLU 42 HG3 GLU 42 8.275 4.188 -10.264 314 H ILE 43 H ILE 43 10.831 6.301 -8.703 315 HA ILE 43 HA ILE 43 11.189 9.241 -8.744 316 HB ILE 43 HB ILE 43 13.187 9.022 -7.314 317 1HG1 ILE 43 HG12 ILE 43 12.206 6.210 -6.689 318 2HG1 ILE 43 HG13 ILE 43 13.652 6.596 -7.623 319 1HG2 ILE 43 HG21 ILE 43 10.710 8.029 -5.882 320 2HG2 ILE 43 HG22 ILE 43 12.000 9.075 -5.236 321 3HG2 ILE 43 HG23 ILE 43 10.917 9.697 -6.481 322 1HD1 ILE 43 HD11 ILE 43 13.223 7.243 -4.673 323 2HD1 ILE 43 HD12 ILE 43 14.253 5.981 -5.350 324 3HD1 ILE 43 HD13 ILE 43 14.654 7.682 -5.630 325 H VAL 44 H VAL 44 13.006 9.928 -9.841 326 HA VAL 44 HA VAL 44 13.881 8.053 -11.994 327 HB VAL 44 HB VAL 44 13.423 11.063 -11.824 328 1HG1 VAL 44 HG11 VAL 44 13.834 11.173 -14.256 329 2HG1 VAL 44 HG12 VAL 44 15.290 10.721 -13.365 330 3HG1 VAL 44 HG13 VAL 44 14.371 9.484 -14.245 331 1HG2 VAL 44 HG21 VAL 44 11.357 9.631 -11.991 332 2HG2 VAL 44 HG22 VAL 44 11.587 10.736 -13.342 333 3HG2 VAL 44 HG23 VAL 44 11.971 9.010 -13.537 334 H ARG 45 H ARG 45 16.019 7.502 -11.972 335 HA ARG 45 HA ARG 45 18.036 9.305 -10.690 336 1HB ARG 45 HB2 ARG 45 17.873 6.259 -10.520 337 2HB ARG 45 HB3 ARG 45 19.163 7.240 -9.843 338 1HG ARG 45 HG2 ARG 45 16.260 7.256 -8.881 339 2HG ARG 45 HG3 ARG 45 17.559 6.298 -8.222 340 1HD ARG 45 HD2 ARG 45 17.621 8.076 -6.751 341 2HD ARG 45 HD3 ARG 45 18.798 8.647 -7.934 342 HE ARG 45 HE ARG 45 16.889 9.877 -9.005 343 1HH1 ARG 45 HH11 ARG 45 16.844 9.414 -5.454 344 2HH1 ARG 45 HH12 ARG 45 15.391 10.360 -5.276 345 1HH2 ARG 45 HH21 ARG 45 15.006 10.982 -8.700 346 2HH2 ARG 45 HH22 ARG 45 14.391 11.307 -7.083 347 H GLY 46 H GLY 46 20.052 9.300 -11.831 348 1HA GLY 46 HA2 GLY 46 20.894 7.191 -13.481 349 2HA GLY 46 HA3 GLY 46 20.159 8.413 -14.533 350 H TYR 47 H TYR 47 23.056 7.437 -13.833 351 HA TYR 47 HA TYR 47 24.318 10.066 -13.913 352 1HB TYR 47 HB2 TYR 47 25.235 8.183 -11.729 353 2HB TYR 47 HB3 TYR 47 25.616 9.880 -11.941 354 HD1 TYR 47 HD1 TYR 47 24.163 11.599 -10.933 355 HD2 TYR 47 HD2 TYR 47 23.111 7.431 -10.824 356 HE1 TYR 47 HE1 TYR 47 22.446 12.088 -9.210 357 HE2 TYR 47 HE2 TYR 47 21.366 7.902 -9.113 358 HH TYR 47 HH TYR 47 20.869 11.178 -7.750 359 H LYS 48 H LYS 48 26.496 9.856 -14.667 360 HA LYS 48 HA LYS 48 27.049 7.614 -16.295 361 1HB LYS 48 HB2 LYS 48 29.193 8.661 -16.723 362 2HB LYS 48 HB3 LYS 48 27.905 9.865 -16.721 363 1HG LYS 48 HG2 LYS 48 28.573 10.485 -14.350 364 2HG LYS 48 HG3 LYS 48 29.935 9.361 -14.495 365 1HD LYS 48 HD2 LYS 48 30.799 10.650 -16.426 366 2HD LYS 48 HD3 LYS 48 29.423 11.772 -16.294 367 1HE LYS 48 HE2 LYS 48 30.134 12.375 -13.995 368 2HE LYS 48 HE3 LYS 48 31.495 11.253 -14.111 369 1HZ LYS 48 HZ1 LYS 48 31.118 13.652 -15.811 370 2HZ LYS 48 HZ2 LYS 48 32.175 13.517 -14.580 371 3HZ LYS 48 HZ3 LYS 48 32.377 12.612 -15.918 372 H TRP 49 H TRP 49 27.886 8.110 -12.863 373 HA TRP 49 HA TRP 49 29.944 6.124 -12.855 374 1HB TRP 49 HB2 TRP 49 29.587 6.078 -10.380 375 2HB TRP 49 HB3 TRP 49 30.051 7.597 -11.099 376 HD1 TRP 49 HD1 TRP 49 28.820 9.633 -10.337 377 HE1 TRP 49 HE1 TRP 49 26.763 10.161 -8.934 378 HE3 TRP 49 HE3 TRP 49 26.886 4.894 -9.904 379 HZ2 TRP 49 HZ2 TRP 49 24.524 8.716 -7.774 380 HZ3 TRP 49 HZ3 TRP 49 24.715 4.545 -8.806 381 HH2 TRP 49 HH2 TRP 49 23.475 6.468 -7.796 382 H ALA 50 H ALA 50 26.420 5.806 -12.829 383 HA ALA 50 HA ALA 50 26.674 2.906 -12.256 384 1HB ALA 50 HB1 ALA 50 24.240 4.682 -12.620 385 2HB ALA 50 HB2 ALA 50 24.226 2.909 -12.430 386 3HB ALA 50 HB3 ALA 50 24.838 3.917 -11.117 387 H GLU 51 H GLU 51 27.958 2.485 -14.174 388 HA GLU 51 HA GLU 51 26.928 3.023 -16.803 389 1HB GLU 51 HB2 GLU 51 28.987 1.103 -15.663 390 2HB GLU 51 HB3 GLU 51 28.544 1.009 -17.361 391 1HG GLU 51 HG2 GLU 51 29.582 3.536 -16.019 392 2HG GLU 51 HG3 GLU 51 30.581 2.375 -16.886 393 H TYR 52 H TYR 52 25.720 0.920 -14.397 394 HA TYR 52 HA TYR 52 24.055 -0.448 -16.393 395 1HB TYR 52 HB2 TYR 52 24.203 -2.487 -14.747 396 2HB TYR 52 HB3 TYR 52 25.309 -2.280 -16.090 397 HD1 TYR 52 HD1 TYR 52 27.591 -1.369 -15.726 398 HD2 TYR 52 HD2 TYR 52 25.059 -2.589 -12.474 399 HE1 TYR 52 HE1 TYR 52 29.593 -1.534 -14.244 400 HE2 TYR 52 HE2 TYR 52 27.028 -2.777 -10.984 401 HH TYR 52 HH TYR 52 29.341 -2.540 -10.797 402 H HIS 53 H HIS 53 21.998 -0.663 -15.759 403 HA HIS 53 HA HIS 53 20.896 1.159 -13.992 404 1HB HIS 53 HB2 HIS 53 19.436 -1.370 -14.802 405 2HB HIS 53 HB3 HIS 53 18.800 0.263 -14.631 406 HD1 HIS 53 HD1 HIS 53 19.346 1.952 -16.778 407 HD2 HIS 53 HD2 HIS 53 20.655 -2.046 -17.080 408 HE1 HIS 53 HE1 HIS 53 20.147 1.605 -19.186 409 H ALA 54 H ALA 54 21.765 -2.237 -13.391 410 HA ALA 54 HA ALA 54 20.383 -2.597 -10.945 411 1HB ALA 54 HB1 ALA 54 23.029 -3.811 -11.859 412 2HB ALA 54 HB2 ALA 54 21.992 -4.420 -10.555 413 3HB ALA 54 HB3 ALA 54 21.409 -4.446 -12.231 414 H ASP 55 H ASP 55 23.402 -0.802 -11.658 415 HA ASP 55 HA ASP 55 24.371 -0.851 -8.940 416 1HB ASP 55 HB2 ASP 55 25.771 -0.281 -10.989 417 2HB ASP 55 HB3 ASP 55 24.941 1.253 -11.057 418 H ILE 56 H ILE 56 22.490 1.556 -10.860 419 HA ILE 56 HA ILE 56 22.169 3.324 -8.615 420 HB ILE 56 HB ILE 56 20.043 3.993 -10.187 421 1HG1 ILE 56 HG12 ILE 56 22.036 2.765 -12.119 422 2HG1 ILE 56 HG13 ILE 56 20.300 2.510 -11.982 423 1HG2 ILE 56 HG21 ILE 56 21.357 5.870 -10.863 424 2HG2 ILE 56 HG22 ILE 56 21.737 5.422 -9.208 425 3HG2 ILE 56 HG23 ILE 56 22.867 4.992 -10.513 426 1HD1 ILE 56 HD11 ILE 56 21.745 4.970 -13.032 427 2HD1 ILE 56 HD12 ILE 56 20.758 3.816 -13.934 428 3HD1 ILE 56 HD13 ILE 56 19.988 4.900 -12.751 429 H TYR 57 H TYR 57 20.201 0.590 -9.885 430 HA TYR 57 HA TYR 57 18.008 1.063 -8.143 431 1HB TYR 57 HB2 TYR 57 17.812 -0.533 -9.958 432 2HB TYR 57 HB3 TYR 57 19.111 -1.520 -9.296 433 HD1 TYR 57 HD1 TYR 57 15.929 0.011 -7.920 434 HD2 TYR 57 HD2 TYR 57 18.371 -3.526 -8.331 435 HE1 TYR 57 HE1 TYR 57 14.378 -1.212 -6.469 436 HE2 TYR 57 HE2 TYR 57 16.789 -4.782 -6.905 437 HH TYR 57 HH TYR 57 13.929 -3.259 -5.355 438 H ASP 58 H ASP 58 21.015 -0.910 -7.598 439 HA ASP 58 HA ASP 58 20.293 -1.683 -4.963 440 1HB ASP 58 HB2 ASP 58 22.015 -2.849 -6.226 441 2HB ASP 58 HB3 ASP 58 23.023 -1.398 -6.270 442 H LYS 59 H LYS 59 22.350 1.018 -6.138 443 HA LYS 59 HA LYS 59 23.145 2.178 -3.704 444 1HB LYS 59 HB2 LYS 59 23.948 2.823 -5.965 445 2HB LYS 59 HB3 LYS 59 22.361 3.450 -6.355 446 1HG LYS 59 HG2 LYS 59 23.350 5.411 -5.855 447 2HG LYS 59 HG3 LYS 59 22.733 5.029 -4.269 448 1HD LYS 59 HD2 LYS 59 24.969 5.873 -4.081 449 2HD LYS 59 HD3 LYS 59 24.978 4.157 -3.613 450 1HE LYS 59 HE2 LYS 59 25.864 3.581 -5.883 451 2HE LYS 59 HE3 LYS 59 25.813 5.289 -6.331 452 1HZ LYS 59 HZ1 LYS 59 27.500 4.145 -4.179 453 2HZ LYS 59 HZ2 LYS 59 28.023 4.614 -5.647 454 3HZ LYS 59 HZ3 LYS 59 27.456 5.725 -4.600 455 H VAL 60 H VAL 60 20.216 2.949 -5.668 456 HA VAL 60 HA VAL 60 19.375 4.822 -3.642 457 HB VAL 60 HB VAL 60 18.145 4.040 -6.279 458 1HG1 VAL 60 HG11 VAL 60 16.786 6.089 -5.983 459 2HG1 VAL 60 HG12 VAL 60 16.427 4.936 -4.701 460 3HG1 VAL 60 HG13 VAL 60 17.467 6.322 -4.350 461 1HG2 VAL 60 HG21 VAL 60 19.856 6.395 -5.284 462 2HG2 VAL 60 HG22 VAL 60 20.398 5.125 -6.398 463 3HG2 VAL 60 HG23 VAL 60 19.187 6.258 -6.906 464 H SER 61 H SER 61 18.321 1.468 -4.489 465 HA SER 61 HA SER 61 16.151 1.519 -2.617 466 1HB SER 61 HB2 SER 61 17.902 -0.838 -3.413 467 2HB SER 61 HB3 SER 61 16.305 -0.903 -2.630 468 HG SER 61 HG SER 61 17.031 -0.094 -5.214 469 H GLY 62 H GLY 62 19.703 1.156 -2.177 470 1HA GLY 62 HA2 GLY 62 19.668 0.374 0.557 471 2HA GLY 62 HA3 GLY 62 20.945 1.288 -0.272 472 H ASP 63 H ASP 63 19.838 3.678 -0.946 473 HA ASP 63 HA ASP 63 19.727 5.077 1.516 474 1HB ASP 63 HB2 ASP 63 20.447 6.084 -0.611 475 2HB ASP 63 HB3 ASP 63 18.789 6.034 -1.209 476 H MET 64 H MET 64 17.074 4.198 -0.772 477 HA MET 64 HA MET 64 14.970 5.371 0.710 478 1HB MET 64 HB2 MET 64 14.973 2.898 -1.066 479 2HB MET 64 HB3 MET 64 13.536 3.735 -0.497 480 1HG MET 64 HG2 MET 64 15.567 5.035 -2.314 481 2HG MET 64 HG3 MET 64 14.041 4.316 -2.797 482 1HE MET 64 HE1 MET 64 15.731 7.020 -0.557 483 2HE MET 64 HE2 MET 64 15.748 7.536 -2.263 484 3HE MET 64 HE3 MET 64 14.808 8.444 -1.055 485 H GLN 65 H GLN 65 16.333 2.005 0.994 486 HA GLN 65 HA GLN 65 14.506 1.254 3.051 487 1HB GLN 65 HB2 GLN 65 17.182 0.251 2.059 488 2HB GLN 65 HB3 GLN 65 16.430 -0.486 3.476 489 1HG GLN 65 HG2 GLN 65 14.481 -1.155 2.226 490 2HG GLN 65 HG3 GLN 65 15.013 -0.269 0.790 491 1HE2 GLN 65 HE22 GLN 65 17.272 -0.938 -0.009 492 2HE2 GLN 65 HE21 GLN 65 17.623 -2.666 -0.046 493 H LYS 66 H LYS 66 17.690 2.940 3.171 494 HA LYS 66 HA LYS 66 17.958 2.863 6.019 495 1HB LYS 66 HB2 LYS 66 19.796 3.453 4.590 496 2HB LYS 66 HB3 LYS 66 18.889 4.759 3.861 497 1HG LYS 66 HG2 LYS 66 18.908 5.950 6.118 498 2HG LYS 66 HG3 LYS 66 19.982 4.660 6.690 499 1HD LYS 66 HD2 LYS 66 21.363 6.513 5.989 500 2HD LYS 66 HD3 LYS 66 21.539 5.222 4.778 501 1HE LYS 66 HE2 LYS 66 19.838 6.390 3.340 502 2HE LYS 66 HE3 LYS 66 19.724 7.679 4.535 503 1HZ LYS 66 HZ1 LYS 66 21.163 8.045 2.569 504 2HZ LYS 66 HZ2 LYS 66 21.921 8.348 4.008 505 3HZ LYS 66 HZ3 LYS 66 22.250 6.979 3.162 506 H GLN 67 H GLN 67 16.132 5.144 3.829 507 HA GLN 67 HA GLN 67 15.090 6.723 5.990 508 1HB GLN 67 HB2 GLN 67 13.519 5.986 3.499 509 2HB GLN 67 HB3 GLN 67 13.282 7.364 4.555 510 1HG GLN 67 HG2 GLN 67 15.494 8.289 3.815 511 2HG GLN 67 HG3 GLN 67 15.647 6.950 2.677 512 1HE2 GLN 67 HE22 GLN 67 13.063 6.673 1.606 513 2HE2 GLN 67 HE21 GLN 67 12.702 8.128 0.721 514 H GLY 68 H GLY 68 13.954 3.747 4.453 515 1HA GLY 68 HA2 GLY 68 13.348 2.059 6.337 516 2HA GLY 68 HA3 GLY 68 12.003 3.164 6.627 517 H CYS 69 H CYS 69 12.569 3.346 3.352 518 HA CYS 69 HA CYS 69 9.993 2.340 2.721 519 1HB CYS 69 HB2 CYS 69 12.352 3.038 0.974 520 2HB CYS 69 HB3 CYS 69 10.680 2.993 0.429 521 HG CYS 69 HG CYS 69 9.782 4.942 1.755 522 H ASP 70 H ASP 70 9.769 1.000 0.631 523 HA ASP 70 HA ASP 70 11.677 -1.236 0.327 524 1HB ASP 70 HB2 ASP 70 9.786 -2.182 1.592 525 2HB ASP 70 HB3 ASP 70 8.638 -1.468 0.451 526 H CYS 71 H CYS 71 11.871 -1.741 -1.980 527 HA CYS 71 HA CYS 71 10.473 0.104 -3.808 528 1HB CYS 71 HB2 CYS 71 13.525 0.018 -3.583 529 2HB CYS 71 HB3 CYS 71 12.544 1.054 -4.623 530 HG CYS 71 HG CYS 71 11.186 1.753 -2.188 531 H GLU 72 H GLU 72 11.085 -0.231 -6.126 532 HA GLU 72 HA GLU 72 12.366 -2.770 -6.854 533 1HB GLU 72 HB2 GLU 72 10.119 -3.515 -6.296 534 2HB GLU 72 HB3 GLU 72 9.389 -2.197 -7.229 535 1HG GLU 72 HG2 GLU 72 10.201 -3.106 -9.303 536 2HG GLU 72 HG3 GLU 72 11.205 -4.295 -8.464 537 H CYS 73 H CYS 73 13.467 -2.350 -8.776 538 HA CYS 73 HA CYS 73 13.043 0.094 -10.280 539 1HB CYS 73 HB2 CYS 73 14.602 -1.103 -11.916 540 2HB CYS 73 HB3 CYS 73 15.259 -0.706 -10.326 541 HG CYS 73 HG CYS 73 13.893 -3.562 -11.267 542 H LEU 74 H LEU 74 11.302 0.377 -11.555 543 HA LEU 74 HA LEU 74 9.593 -1.834 -12.395 544 1HB LEU 74 HB2 LEU 74 9.656 1.110 -13.202 545 2HB LEU 74 HB3 LEU 74 8.408 -0.043 -13.662 546 HG LEU 74 HG LEU 74 9.017 0.917 -10.837 547 1HD1 LEU 74 HD11 LEU 74 6.803 1.946 -10.995 548 2HD1 LEU 74 HD12 LEU 74 7.846 2.529 -12.304 549 3HD1 LEU 74 HD13 LEU 74 6.593 1.318 -12.641 550 1HD2 LEU 74 HD21 LEU 74 6.934 -0.351 -10.201 551 2HD2 LEU 74 HD22 LEU 74 6.961 -1.124 -11.797 552 3HD2 LEU 74 HD23 LEU 74 8.285 -1.393 -10.637 553 H GLY 75 H GLY 75 12.296 -0.024 -13.754 554 1HA GLY 75 HA2 GLY 75 13.029 -1.902 -15.661 555 2HA GLY 75 HA3 GLY 75 12.015 -0.719 -16.498 556 H GLY 76 H GLY 76 14.306 -0.432 -17.537 557 1HA GLY 76 HA2 GLY 76 15.370 2.049 -16.442 558 2HA GLY 76 HA3 GLY 76 16.541 0.722 -16.495 559 H GLY 77 H GLY 77 17.374 2.625 -17.956 560 1HA GLY 77 HA2 GLY 77 17.348 1.920 -20.705 561 2HA GLY 77 HA3 GLY 77 16.232 3.273 -20.430 562 H ARG 78 H ARG 78 17.811 4.620 -21.692 563 HA ARG 78 HA ARG 78 19.856 5.685 -19.880 564 1HB ARG 78 HB2 ARG 78 21.659 5.673 -21.496 565 2HB ARG 78 HB3 ARG 78 21.138 4.035 -21.127 566 1HG ARG 78 HG2 ARG 78 19.929 3.910 -23.268 567 2HG ARG 78 HG3 ARG 78 20.383 5.594 -23.633 568 1HD ARG 78 HD2 ARG 78 22.686 5.074 -23.806 569 2HD ARG 78 HD3 ARG 78 22.487 3.495 -23.022 570 HE ARG 78 HE ARG 78 21.005 2.952 -25.077 571 1HH1 ARG 78 HH21 ARG 78 23.989 4.895 -25.318 572 2HH1 ARG 78 HH22 ARG 78 24.359 4.318 -26.902 573 1HH2 ARG 78 HH11 ARG 78 21.447 2.239 -26.994 574 2HH2 ARG 78 HH12 ARG 78 22.833 2.750 -27.947 575 H ILE 79 H ILE 79 20.875 7.639 -20.812 576 HA ILE 79 HA ILE 79 18.774 9.372 -21.962 577 HB ILE 79 HB ILE 79 20.415 9.624 -19.397 578 1HG1 ILE 79 HG12 ILE 79 17.417 9.613 -19.935 579 2HG1 ILE 79 HG13 ILE 79 18.332 8.303 -19.211 580 1HG2 ILE 79 HG21 ILE 79 18.609 11.734 -20.706 581 2HG2 ILE 79 HG22 ILE 79 19.411 11.904 -19.134 582 3HG2 ILE 79 HG23 ILE 79 20.384 11.836 -20.587 583 1HD1 ILE 79 HD11 ILE 79 17.760 11.003 -17.943 584 2HD1 ILE 79 HD12 ILE 79 17.149 9.419 -17.466 585 3HD1 ILE 79 HD13 ILE 79 18.873 9.785 -17.266 586 H SER 80 H SER 80 19.675 11.059 -23.269 587 HA SER 80 HA SER 80 22.587 11.351 -23.355 588 1HB SER 80 HB2 SER 80 21.072 10.475 -25.852 589 2HB SER 80 HB3 SER 80 22.799 10.853 -25.736 590 HG SER 80 HG SER 80 22.325 9.081 -23.868 591 H HIS 81 H HIS 81 23.297 13.093 -24.549 592 HA HIS 81 HA HIS 81 21.773 15.478 -24.488 593 1HB HIS 81 HB2 HIS 81 23.697 16.489 -25.477 594 2HB HIS 81 HB3 HIS 81 24.283 15.259 -24.371 595 HD1 HIS 81 HD1 HIS 81 25.072 12.839 -25.739 596 HD2 HIS 81 HD2 HIS 81 24.580 16.409 -27.927 597 HE1 HIS 81 HE1 HIS 81 26.255 12.488 -27.967 598 H GLN 82 H GLN 82 21.668 16.928 -26.547 599 HA GLN 82 HA GLN 82 20.629 15.511 -28.928 600 1HB GLN 82 HB2 GLN 82 19.121 17.512 -27.174 601 2HB GLN 82 HB3 GLN 82 18.591 17.028 -28.779 602 1HG GLN 82 HG2 GLN 82 18.927 15.037 -26.477 603 2HG GLN 82 HG3 GLN 82 17.444 15.879 -26.827 604 1HE2 GLN 82 HE22 GLN 82 19.691 13.422 -28.055 605 2HE2 GLN 82 HE21 GLN 82 18.588 12.781 -29.265 606 H SER 83 H SER 83 20.528 16.933 -30.786 607 HA SER 83 HA SER 83 22.489 18.946 -31.000 608 1HB SER 83 HB2 SER 83 19.978 18.659 -32.697 609 2HB SER 83 HB3 SER 83 21.544 19.336 -33.181 610 HG SER 83 HG SER 83 21.263 17.179 -33.910 611 H GLN 84 H GLN 84 19.008 19.119 -30.210 612 HA GLN 84 HA GLN 84 19.027 22.032 -29.880 613 1HB GLN 84 HB2 GLN 84 16.954 21.015 -30.577 614 2HB GLN 84 HB3 GLN 84 16.995 19.846 -29.259 615 1HG GLN 84 HG2 GLN 84 15.354 21.697 -28.916 616 2HG GLN 84 HG3 GLN 84 16.520 21.547 -27.613 617 1HE2 GLN 84 HE22 GLN 84 15.354 23.658 -30.198 618 2HE2 GLN 84 HE21 GLN 84 16.381 25.012 -29.801 619 H ASP 85 H ASP 85 20.622 22.492 -28.398 620 HA ASP 85 HA ASP 85 21.430 20.978 -26.202 621 1HB ASP 85 HB2 ASP 85 22.709 22.837 -27.146 622 2HB ASP 85 HB3 ASP 85 21.481 23.989 -26.611 623 H LYS 86 H LYS 86 18.615 23.107 -26.446 624 HA LYS 86 HA LYS 86 18.212 23.361 -23.586 625 1HB LYS 86 HB2 LYS 86 16.301 23.853 -25.910 626 2HB LYS 86 HB3 LYS 86 16.025 24.311 -24.231 627 1HG LYS 86 HG2 LYS 86 18.009 25.795 -24.268 628 2HG LYS 86 HG3 LYS 86 18.298 25.371 -25.958 629 1HD LYS 86 HD2 LYS 86 17.204 27.493 -25.906 630 2HD LYS 86 HD3 LYS 86 16.069 26.308 -26.568 631 1HE LYS 86 HE2 LYS 86 14.929 26.162 -24.366 632 2HE LYS 86 HE3 LYS 86 16.107 27.281 -23.669 633 1HZ LYS 86 HZ1 LYS 86 14.194 27.950 -25.833 634 2HZ LYS 86 HZ2 LYS 86 14.071 28.416 -24.273 635 3HZ LYS 86 HZ3 LYS 86 15.287 28.984 -25.193 636 H LYS 87 H LYS 87 18.066 20.473 -25.254 637 HA LYS 87 HA LYS 87 16.284 19.537 -23.172 638 1HB LYS 87 HB2 LYS 87 14.722 18.352 -24.459 639 2HB LYS 87 HB3 LYS 87 14.783 19.959 -25.158 640 1HG LYS 87 HG2 LYS 87 16.328 18.994 -26.961 641 2HG LYS 87 HG3 LYS 87 15.987 17.394 -26.258 642 1HD LYS 87 HD2 LYS 87 13.554 17.747 -26.641 643 2HD LYS 87 HD3 LYS 87 13.900 19.336 -27.311 644 1HE LYS 87 HE2 LYS 87 13.500 17.983 -29.161 645 2HE LYS 87 HE3 LYS 87 15.243 18.225 -29.149 646 1HZ LYS 87 HZ1 LYS 87 14.397 15.912 -29.596 647 2HZ LYS 87 HZ2 LYS 87 15.538 15.962 -28.457 648 3HZ LYS 87 HZ3 LYS 87 13.963 15.780 -28.028 649 H ILE 88 H ILE 88 16.221 17.177 -23.016 650 HA ILE 88 HA ILE 88 18.678 15.779 -23.926 651 HB ILE 88 HB ILE 88 17.431 15.252 -21.223 652 1HG1 ILE 88 HG12 ILE 88 18.070 17.638 -21.066 653 2HG1 ILE 88 HG13 ILE 88 18.956 16.589 -19.994 654 1HG2 ILE 88 HG21 ILE 88 19.677 14.374 -20.671 655 2HG2 ILE 88 HG22 ILE 88 18.946 13.552 -22.050 656 3HG2 ILE 88 HG23 ILE 88 20.222 14.749 -22.319 657 1HD1 ILE 88 HD11 ILE 88 20.971 16.733 -21.336 658 2HD1 ILE 88 HD12 ILE 88 20.114 17.601 -22.624 659 3HD1 ILE 88 HD13 ILE 88 20.360 18.365 -21.044 660 H HIS 89 H HIS 89 18.162 13.312 -23.919 661 HA HIS 89 HA HIS 89 15.254 12.842 -24.382 662 1HB HIS 89 HB2 HIS 89 16.618 13.247 -26.455 663 2HB HIS 89 HB3 HIS 89 17.511 11.766 -26.099 664 HD1 HIS 89 HD1 HIS 89 14.006 13.012 -27.097 665 HD2 HIS 89 HD2 HIS 89 16.301 9.491 -26.851 666 HE1 HIS 89 HE1 HIS 89 12.683 11.192 -28.317 667 H VAL 90 H VAL 90 14.527 10.732 -23.925 668 HA VAL 90 HA VAL 90 16.352 9.002 -22.316 669 HB VAL 90 HB VAL 90 13.391 9.502 -21.809 670 1HG1 VAL 90 HG11 VAL 90 14.355 7.401 -20.918 671 2HG1 VAL 90 HG12 VAL 90 15.567 8.323 -20.023 672 3HG1 VAL 90 HG13 VAL 90 13.845 8.495 -19.626 673 1HG2 VAL 90 HG21 VAL 90 15.724 10.952 -20.501 674 2HG2 VAL 90 HG22 VAL 90 14.372 11.662 -21.404 675 3HG2 VAL 90 HG23 VAL 90 14.074 10.900 -19.845 676 H TYR 91 H TYR 91 16.351 6.833 -23.004 677 HA TYR 91 HA TYR 91 14.167 5.740 -24.608 678 1HB TYR 91 HB2 TYR 91 15.436 5.574 -26.672 679 2HB TYR 91 HB3 TYR 91 15.304 7.249 -26.225 680 HD1 TYR 91 HD1 TYR 91 17.577 4.559 -27.018 681 HD2 TYR 91 HD2 TYR 91 17.328 8.371 -25.014 682 HE1 TYR 91 HE1 TYR 91 20.034 4.771 -27.122 683 HE2 TYR 91 HE2 TYR 91 19.765 8.572 -25.068 684 HH TYR 91 HH TYR 91 21.756 7.637 -25.740 685 H GLY 92 H GLY 92 15.253 3.615 -25.777 686 1HA GLY 92 HA2 GLY 92 16.551 1.743 -25.648 687 2HA GLY 92 HA3 GLY 92 17.476 2.469 -24.326 688 H TYR 93 H TYR 93 17.375 0.168 -23.544 689 HA TYR 93 HA TYR 93 15.205 -0.084 -21.603 690 1HB TYR 93 HB2 TYR 93 14.718 -2.436 -22.220 691 2HB TYR 93 HB3 TYR 93 14.165 -1.284 -23.416 692 HD1 TYR 93 HD1 TYR 93 15.104 -1.227 -25.672 693 HD2 TYR 93 HD2 TYR 93 16.570 -4.009 -22.715 694 HE1 TYR 93 HE1 TYR 93 16.230 -2.514 -27.452 695 HE2 TYR 93 HE2 TYR 93 17.715 -5.299 -24.489 696 HH TYR 93 HH TYR 93 17.559 -4.367 -27.960 697 H SER 94 H SER 94 15.820 -1.328 -19.797 698 HA SER 94 HA SER 94 18.672 -1.936 -19.568 699 1HB SER 94 HB2 SER 94 18.161 -2.660 -17.325 700 2HB SER 94 HB3 SER 94 17.382 -1.107 -17.630 701 HG SER 94 HG SER 94 15.408 -2.352 -18.021 702 H MET 95 H MET 95 19.633 -3.977 -19.796 703 HA MET 95 HA MET 95 18.170 -6.079 -21.114 704 1HB MET 95 HB2 MET 95 20.634 -5.712 -21.288 705 2HB MET 95 HB3 MET 95 20.818 -6.210 -19.597 706 1HG MET 95 HG2 MET 95 19.913 -8.443 -20.158 707 2HG MET 95 HG3 MET 95 19.663 -7.929 -21.832 708 1HE MET 95 HE1 MET 95 22.546 -10.565 -22.122 709 2HE MET 95 HE2 MET 95 21.176 -10.596 -20.991 710 3HE MET 95 HE3 MET 95 20.927 -10.085 -22.677 711 H ALA 96 H ALA 96 18.963 -5.341 -17.716 712 HA ALA 96 HA ALA 96 18.229 -7.913 -16.699 713 1HB ALA 96 HB1 ALA 96 18.636 -5.235 -15.303 714 2HB ALA 96 HB2 ALA 96 18.524 -6.813 -14.498 715 3HB ALA 96 HB3 ALA 96 19.877 -6.478 -15.595 716 H TYR 97 H TYR 97 16.362 -4.834 -17.040 717 HA TYR 97 HA TYR 97 14.029 -6.212 -15.793 718 1HB TYR 97 HB2 TYR 97 14.750 -3.302 -15.403 719 2HB TYR 97 HB3 TYR 97 13.556 -4.246 -14.532 720 HD1 TYR 97 HD1 TYR 97 14.538 -6.355 -13.198 721 HD2 TYR 97 HD2 TYR 97 16.840 -2.920 -14.427 722 HE1 TYR 97 HE1 TYR 97 16.241 -6.888 -11.478 723 HE2 TYR 97 HE2 TYR 97 18.542 -3.431 -12.705 724 HH TYR 97 HH TYR 97 19.196 -4.903 -11.001 725 H GLY 98 H GLY 98 15.050 -4.852 -18.695 726 1HA GLY 98 HA2 GLY 98 13.769 -4.520 -20.588 727 2HA GLY 98 HA3 GLY 98 12.288 -4.583 -19.626 728 HA PRO 99 HA PRO 99 13.256 -0.120 -20.716 729 1HB PRO 99 HB2 PRO 99 10.873 0.488 -21.947 730 2HB PRO 99 HB3 PRO 99 12.281 -0.183 -22.811 731 1HG PRO 99 HG2 PRO 99 9.847 -1.649 -21.774 732 2HG PRO 99 HG3 PRO 99 10.668 -1.837 -23.355 733 1HD PRO 99 HD2 PRO 99 11.088 -3.535 -21.245 734 2HD PRO 99 HD3 PRO 99 12.382 -3.138 -22.413 735 H ALA 100 H ALA 100 12.730 1.452 -19.295 736 HA ALA 100 HA ALA 100 10.755 1.027 -17.178 737 1HB ALA 100 HB1 ALA 100 12.894 2.309 -16.835 738 2HB ALA 100 HB2 ALA 100 12.351 3.458 -18.062 739 3HB ALA 100 HB3 ALA 100 11.472 3.314 -16.531 740 H GLN 101 H GLN 101 9.145 2.837 -16.785 741 HA GLN 101 HA GLN 101 7.599 3.540 -19.197 742 1HB GLN 101 HB2 GLN 101 7.175 4.006 -16.209 743 2HB GLN 101 HB3 GLN 101 6.138 4.697 -17.465 744 1HG GLN 101 HG2 GLN 101 5.519 2.502 -18.279 745 2HG GLN 101 HG3 GLN 101 6.620 1.713 -17.139 746 1HE2 GLN 101 HE22 GLN 101 3.656 3.768 -17.328 747 2HE2 GLN 101 HE21 GLN 101 3.021 3.274 -15.780 748 H HIS 102 H HIS 102 9.643 4.648 -20.011 749 HA HIS 102 HA HIS 102 10.863 6.809 -18.775 750 1HB HIS 102 HB2 HIS 102 10.377 6.456 -21.745 751 2HB HIS 102 HB3 HIS 102 11.632 7.455 -21.019 752 HD1 HIS 102 HD1 HIS 102 11.165 4.007 -22.331 753 HD2 HIS 102 HD2 HIS 102 13.349 5.886 -19.269 754 HE1 HIS 102 HE1 HIS 102 12.996 2.380 -21.625 755 H ALA 103 H ALA 103 7.669 6.822 -20.198 756 HA ALA 103 HA ALA 103 7.226 9.564 -20.641 757 1HB ALA 103 HB1 ALA 103 5.585 7.797 -21.159 758 2HB ALA 103 HB2 ALA 103 5.381 7.450 -19.426 759 3HB ALA 103 HB3 ALA 103 4.869 9.018 -20.092 760 H ILE 104 H ILE 104 7.401 7.704 -17.580 761 HA ILE 104 HA ILE 104 6.437 9.762 -15.832 762 HB ILE 104 HB ILE 104 8.319 7.410 -15.328 763 1HG1 ILE 104 HG12 ILE 104 6.050 6.734 -16.177 764 2HG1 ILE 104 HG13 ILE 104 6.441 6.135 -14.578 765 1HG2 ILE 104 HG21 ILE 104 6.889 9.236 -13.372 766 2HG2 ILE 104 HG22 ILE 104 7.535 7.639 -12.929 767 3HG2 ILE 104 HG23 ILE 104 8.626 8.902 -13.511 768 1HD1 ILE 104 HD11 ILE 104 5.005 7.748 -13.515 769 2HD1 ILE 104 HD12 ILE 104 4.717 8.601 -15.057 770 3HD1 ILE 104 HD13 ILE 104 4.100 6.947 -14.807 771 H SER 105 H SER 105 9.733 8.833 -17.015 772 HA SER 105 HA SER 105 11.201 10.667 -15.504 773 1HB SER 105 HB2 SER 105 11.790 9.847 -18.370 774 2HB SER 105 HB3 SER 105 12.924 10.308 -17.107 775 HG SER 105 HG SER 105 12.783 8.042 -17.337 776 H THR 106 H THR 106 9.871 11.056 -18.866 777 HA THR 106 HA THR 106 10.679 13.756 -19.050 778 HB THR 106 HB THR 106 8.805 13.830 -20.856 779 HG1 THR 106 HG1 THR 106 7.690 11.935 -20.053 780 1HG2 THR 106 HG21 THR 106 11.209 13.528 -21.347 781 2HG2 THR 106 HG22 THR 106 11.069 11.788 -21.023 782 3HG2 THR 106 HG23 THR 106 10.204 12.518 -22.394 783 H GLU 107 H GLU 107 7.563 12.416 -17.777 784 HA GLU 107 HA GLU 107 6.318 14.942 -17.456 785 1HB GLU 107 HB2 GLU 107 5.961 12.224 -16.113 786 2HB GLU 107 HB3 GLU 107 5.063 13.643 -15.570 787 1HG GLU 107 HG2 GLU 107 4.170 14.001 -17.840 788 2HG GLU 107 HG3 GLU 107 5.050 12.598 -18.431 789 H LYS 108 H LYS 108 8.308 13.030 -15.124 790 HA LYS 108 HA LYS 108 8.007 15.008 -13.046 791 1HB LYS 108 HB2 LYS 108 9.938 12.670 -13.396 792 2HB LYS 108 HB3 LYS 108 9.831 13.691 -11.948 793 1HG LYS 108 HG2 LYS 108 7.493 13.115 -11.624 794 2HG LYS 108 HG3 LYS 108 7.515 12.046 -13.032 795 1HD LYS 108 HD2 LYS 108 9.141 10.579 -12.008 796 2HD LYS 108 HD3 LYS 108 9.412 11.680 -10.661 797 1HE LYS 108 HE2 LYS 108 6.775 10.264 -11.269 798 2HE LYS 108 HE3 LYS 108 7.963 9.748 -10.060 799 1HZ LYS 108 HZ1 LYS 108 7.640 11.847 -8.909 800 2HZ LYS 108 HZ2 LYS 108 6.540 12.344 -10.007 801 3HZ LYS 108 HZ3 LYS 108 6.193 11.063 -9.055 802 H ILE 109 H ILE 109 10.645 14.361 -15.415 803 HA ILE 109 HA ILE 109 12.416 16.351 -14.360 804 HB ILE 109 HB ILE 109 12.137 15.089 -17.104 805 1HG1 ILE 109 HG12 ILE 109 14.321 14.641 -15.006 806 2HG1 ILE 109 HG13 ILE 109 12.866 13.657 -15.067 807 1HG2 ILE 109 HG21 ILE 109 14.346 15.957 -17.684 808 2HG2 ILE 109 HG22 ILE 109 13.298 17.315 -17.311 809 3HG2 ILE 109 HG23 ILE 109 14.499 16.751 -16.125 810 1HD1 ILE 109 HD11 ILE 109 14.993 13.860 -17.235 811 2HD1 ILE 109 HD12 ILE 109 14.617 12.475 -16.206 812 3HD1 ILE 109 HD13 ILE 109 13.446 13.003 -17.430 813 H LYS 110 H LYS 110 9.797 16.543 -16.932 814 HA LYS 110 HA LYS 110 10.272 19.321 -17.411 815 1HB LYS 110 HB2 LYS 110 7.802 17.585 -17.785 816 2HB LYS 110 HB3 LYS 110 7.835 19.303 -18.205 817 1HG LYS 110 HG2 LYS 110 9.655 18.993 -19.773 818 2HG LYS 110 HG3 LYS 110 9.822 17.290 -19.325 819 1HD LYS 110 HD2 LYS 110 7.550 16.816 -20.174 820 2HD LYS 110 HD3 LYS 110 7.353 18.531 -20.617 821 1HE LYS 110 HE2 LYS 110 9.328 18.359 -22.123 822 2HE LYS 110 HE3 LYS 110 9.526 16.661 -21.679 823 1HZ LYS 110 HZ1 LYS 110 8.382 16.865 -23.763 824 2HZ LYS 110 HZ2 LYS 110 7.339 16.229 -22.680 825 3HZ LYS 110 HZ3 LYS 110 7.198 17.797 -23.126 826 H ALA 111 H ALA 111 8.241 17.699 -14.902 827 HA ALA 111 HA ALA 111 7.080 20.114 -13.936 828 1HB ALA 111 HB1 ALA 111 6.246 17.861 -13.347 829 2HB ALA 111 HB2 ALA 111 7.721 17.557 -12.399 830 3HB ALA 111 HB3 ALA 111 6.594 18.833 -11.904 831 H LYS 112 H LYS 112 10.147 18.451 -13.043 832 HA LYS 112 HA LYS 112 10.720 20.407 -10.958 833 1HB LYS 112 HB2 LYS 112 12.251 18.046 -12.113 834 2HB LYS 112 HB3 LYS 112 12.885 19.021 -10.797 835 1HG LYS 112 HG2 LYS 112 10.145 17.729 -10.526 836 2HG LYS 112 HG3 LYS 112 11.600 16.768 -10.356 837 1HD LYS 112 HD2 LYS 112 10.845 17.415 -8.185 838 2HD LYS 112 HD3 LYS 112 12.405 18.173 -8.517 839 1HE LYS 112 HE2 LYS 112 11.287 20.318 -8.994 840 2HE LYS 112 HE3 LYS 112 9.698 19.562 -8.787 841 1HZ LYS 112 HZ1 LYS 112 10.269 19.168 -6.462 842 2HZ LYS 112 HZ2 LYS 112 11.740 19.858 -6.657 843 3HZ LYS 112 HZ3 LYS 112 10.389 20.753 -6.805 844 H TYR 113 H TYR 113 11.438 20.238 -14.324 845 HA TYR 113 HA TYR 113 12.809 21.227 -15.716 846 1HB TYR 113 HB2 TYR 113 12.491 23.607 -13.869 847 2HB TYR 113 HB3 TYR 113 13.165 23.670 -15.487 848 HD1 TYR 113 HD1 TYR 113 10.102 23.761 -13.580 849 HD2 TYR 113 HD2 TYR 113 11.765 22.975 -17.486 850 HE1 TYR 113 HE1 TYR 113 7.880 24.159 -14.602 851 HE2 TYR 113 HE2 TYR 113 9.555 23.370 -18.518 852 HH TYR 113 HH TYR 113 7.316 23.921 -18.147 853 HA PRO 114 HA PRO 114 16.856 20.710 -13.312 854 1HB PRO 114 HB2 PRO 114 17.025 18.288 -15.084 855 2HB PRO 114 HB3 PRO 114 17.595 18.493 -13.399 856 1HG PRO 114 HG2 PRO 114 15.353 17.060 -13.950 857 2HG PRO 114 HG3 PRO 114 15.406 18.163 -12.539 858 1HD PRO 114 HD2 PRO 114 14.219 18.720 -15.280 859 2HD PRO 114 HD3 PRO 114 13.528 18.976 -13.658 860 H ASP 115 H ASP 115 15.491 20.425 -16.536 861 HA ASP 115 HA ASP 115 17.403 22.302 -17.650 862 1HB ASP 115 HB2 ASP 115 18.329 20.061 -18.298 863 2HB ASP 115 HB3 ASP 115 16.779 19.661 -19.042 864 H TYR 116 H TYR 116 16.393 23.011 -19.845 865 HA TYR 116 HA TYR 116 13.910 24.154 -19.238 866 1HB TYR 116 HB2 TYR 116 15.481 25.191 -20.718 867 2HB TYR 116 HB3 TYR 116 15.457 23.833 -21.823 868 HD1 TYR 116 HD1 TYR 116 13.744 23.589 -23.514 869 HD2 TYR 116 HD2 TYR 116 13.515 26.759 -20.595 870 HE1 TYR 116 HE1 TYR 116 11.973 24.686 -24.854 871 HE2 TYR 116 HE2 TYR 116 11.740 27.862 -21.920 872 HH TYR 116 HH TYR 116 10.416 27.769 -23.839 873 H GLU 117 H GLU 117 14.553 21.267 -21.348 874 HA GLU 117 HA GLU 117 11.821 20.356 -20.915 875 1HB GLU 117 HB2 GLU 117 11.825 22.013 -22.910 876 2HB GLU 117 HB3 GLU 117 12.765 20.800 -23.783 877 1HG GLU 117 HG2 GLU 117 10.893 19.217 -23.605 878 2HG GLU 117 HG3 GLU 117 10.030 20.320 -22.531 879 H VAL 118 H VAL 118 11.628 18.143 -22.217 880 HA VAL 118 HA VAL 118 14.077 16.825 -22.926 881 HB VAL 118 HB VAL 118 13.473 14.825 -21.422 882 1HG1 VAL 118 HG11 VAL 118 15.491 16.361 -21.214 883 2HG1 VAL 118 HG12 VAL 118 14.641 17.152 -19.881 884 3HG1 VAL 118 HG13 VAL 118 15.040 15.419 -19.788 885 1HG2 VAL 118 HG21 VAL 118 12.239 16.942 -19.615 886 2HG2 VAL 118 HG22 VAL 118 11.307 15.751 -20.548 887 3HG2 VAL 118 HG23 VAL 118 12.445 15.205 -19.308 888 H THR 119 H THR 119 13.499 14.537 -23.716 889 HA THR 119 HA THR 119 10.695 14.232 -24.579 890 HB THR 119 HB THR 119 11.663 13.680 -26.934 891 HG1 THR 119 HG1 THR 119 13.761 15.162 -25.752 892 1HG2 THR 119 HG21 THR 119 11.396 15.959 -27.730 893 2HG2 THR 119 HG22 THR 119 10.162 15.586 -26.519 894 3HG2 THR 119 HG23 THR 119 11.551 16.597 -26.078 895 H TRP 120 H TRP 120 10.507 11.934 -25.694 896 HA TRP 120 HA TRP 120 12.641 10.131 -24.928 897 1HB TRP 120 HB2 TRP 120 11.325 8.599 -23.659 898 2HB TRP 120 HB3 TRP 120 11.140 10.161 -22.892 899 HD1 TRP 120 HD1 TRP 120 8.678 11.424 -23.830 900 HE1 TRP 120 HE1 TRP 120 6.361 10.370 -23.840 901 HE3 TRP 120 HE3 TRP 120 10.063 6.503 -23.986 902 HZ2 TRP 120 HZ2 TRP 120 5.230 7.691 -23.831 903 HZ3 TRP 120 HZ3 TRP 120 8.349 4.721 -23.868 904 HH2 TRP 120 HH2 TRP 120 5.930 5.299 -23.814 905 H ALA 121 H ALA 121 12.212 7.914 -25.769 906 HA ALA 121 HA ALA 121 10.033 7.626 -27.674 907 1HB ALA 121 HB1 ALA 121 11.536 6.833 -29.505 908 2HB ALA 121 HB2 ALA 121 11.831 8.545 -29.138 909 3HB ALA 121 HB3 ALA 121 12.956 7.298 -28.546 910 H ASN 122 H ASN 122 9.463 5.455 -27.822 911 HA ASN 122 HA ASN 122 10.683 3.620 -25.866 912 1HB ASN 122 HB2 ASN 122 8.213 3.928 -25.989 913 2HB ASN 122 HB3 ASN 122 8.231 3.308 -27.638 914 1HD2 ASN 122 HD22 ASN 122 6.959 1.415 -27.172 915 2HD2 ASN 122 HD21 ASN 122 7.556 0.121 -26.169 916 H ASP 123 H ASP 123 12.614 4.033 -27.566 917 HA ASP 123 HA ASP 123 12.781 1.746 -29.409 918 1HB ASP 123 HB2 ASP 123 11.712 3.857 -30.559 919 2HB ASP 123 HB3 ASP 123 13.340 4.521 -30.494 920 H GLY 124 H GLY 124 15.172 2.299 -30.623 921 1HA GLY 124 HA2 GLY 124 17.434 2.185 -30.235 922 2HA GLY 124 HA3 GLY 124 17.220 3.202 -28.808 923 H TYR 125 H TYR 125 18.827 1.807 -27.793 924 HA TYR 125 HA TYR 125 17.605 -0.364 -26.306 925 1HB TYR 125 HB2 TYR 125 19.483 -1.857 -26.552 926 2HB TYR 125 HB3 TYR 125 18.746 -1.593 -28.119 927 HD1 TYR 125 HD1 TYR 125 21.767 -1.170 -26.076 928 HD2 TYR 125 HD2 TYR 125 19.921 -0.202 -29.853 929 HE1 TYR 125 HE1 TYR 125 23.983 -0.543 -26.991 930 HE2 TYR 125 HE2 TYR 125 22.127 0.436 -30.777 931 HH TYR 125 HH TYR 125 24.412 0.642 -30.361 Start of MODEL 10 1 1H MET 1 H1 MET 1 17.241 11.280 11.816 2 2H MET 1 H2 MET 1 16.049 11.012 12.902 3 3H MET 1 H3 MET 1 15.820 10.622 11.330 4 HA MET 1 HA MET 1 16.204 13.323 12.408 5 1HB MET 1 HB2 MET 1 17.115 13.092 10.131 6 2HB MET 1 HB3 MET 1 15.549 12.535 9.538 7 1HG MET 1 HG2 MET 1 14.541 14.713 10.204 8 2HG MET 1 HG3 MET 1 16.110 15.243 10.824 9 1HE MET 1 HE1 MET 1 14.307 16.915 8.798 10 2HE MET 1 HE2 MET 1 15.879 17.470 9.422 11 3HE MET 1 HE3 MET 1 15.550 17.512 7.676 12 H ALA 2 H ALA 2 13.634 11.939 10.236 13 HA ALA 2 HA ALA 2 11.615 12.053 12.332 14 1HB ALA 2 HB1 ALA 2 11.543 13.954 9.929 15 2HB ALA 2 HB2 ALA 2 10.230 13.712 11.099 16 3HB ALA 2 HB3 ALA 2 11.752 14.445 11.626 17 H VAL 3 H VAL 3 9.459 11.408 11.280 18 HA VAL 3 HA VAL 3 9.796 9.219 9.397 19 HB VAL 3 HB VAL 3 7.225 10.551 10.363 20 1HG1 VAL 3 HG11 VAL 3 6.197 8.381 9.820 21 2HG1 VAL 3 HG12 VAL 3 6.949 9.071 8.384 22 3HG1 VAL 3 HG13 VAL 3 7.759 7.752 9.255 23 1HG2 VAL 3 HG21 VAL 3 7.103 8.698 12.025 24 2HG2 VAL 3 HG22 VAL 3 8.760 8.224 11.601 25 3HG2 VAL 3 HG23 VAL 3 8.436 9.801 12.350 26 H ALA 4 H ALA 4 10.423 9.808 7.364 27 HA ALA 4 HA ALA 4 9.577 12.227 6.025 28 1HB ALA 4 HB1 ALA 4 11.699 11.017 5.498 29 2HB ALA 4 HB2 ALA 4 10.747 9.669 4.837 30 3HB ALA 4 HB3 ALA 4 10.680 11.265 4.074 31 H ASP 5 H ASP 5 8.587 11.722 3.632 32 HA ASP 5 HA ASP 5 6.366 9.818 3.677 33 1HB ASP 5 HB2 ASP 5 5.365 11.801 4.773 34 2HB ASP 5 HB3 ASP 5 5.948 12.836 3.468 35 H LEU 6 H LEU 6 5.517 9.608 1.422 36 HA LEU 6 HA LEU 6 7.593 9.638 -0.485 37 1HB LEU 6 HB2 LEU 6 4.571 9.471 -0.861 38 2HB LEU 6 HB3 LEU 6 5.755 9.129 -2.098 39 HG LEU 6 HG LEU 6 5.173 7.539 0.402 40 1HD1 LEU 6 HD11 LEU 6 4.792 5.742 -1.254 41 2HD1 LEU 6 HD12 LEU 6 3.789 7.150 -1.614 42 3HD1 LEU 6 HD13 LEU 6 5.261 6.841 -2.563 43 1HD2 LEU 6 HD21 LEU 6 7.565 7.469 0.361 44 2HD2 LEU 6 HD22 LEU 6 6.991 5.952 -0.318 45 3HD2 LEU 6 HD23 LEU 6 7.600 7.211 -1.404 46 H ALA 7 H ALA 7 5.205 12.195 0.262 47 HA ALA 7 HA ALA 7 5.700 13.678 -2.134 48 1HB ALA 7 HB1 ALA 7 4.708 14.622 0.588 49 2HB ALA 7 HB2 ALA 7 4.586 15.515 -0.940 50 3HB ALA 7 HB3 ALA 7 3.685 14.001 -0.733 51 H LEU 8 H LEU 8 7.472 13.272 0.869 52 HA LEU 8 HA LEU 8 9.038 15.757 0.536 53 1HB LEU 8 HB2 LEU 8 9.175 13.561 2.645 54 2HB LEU 8 HB3 LEU 8 10.117 15.043 2.650 55 HG LEU 8 HG LEU 8 7.075 14.915 2.859 56 1HD1 LEU 8 HD11 LEU 8 7.432 15.575 5.208 57 2HD1 LEU 8 HD12 LEU 8 8.183 14.015 4.856 58 3HD1 LEU 8 HD13 LEU 8 9.192 15.474 4.979 59 1HD2 LEU 8 HD21 LEU 8 7.256 17.313 3.507 60 2HD2 LEU 8 HD22 LEU 8 8.986 17.282 3.102 61 3HD2 LEU 8 HD23 LEU 8 7.758 17.034 1.839 62 H ILE 9 H ILE 9 9.329 12.223 0.098 63 HA ILE 9 HA ILE 9 12.119 12.117 -0.382 64 HB ILE 9 HB ILE 9 9.806 10.486 -1.492 65 1HG1 ILE 9 HG12 ILE 9 11.882 9.949 0.694 66 2HG1 ILE 9 HG13 ILE 9 10.190 10.362 0.958 67 1HG2 ILE 9 HG21 ILE 9 12.787 9.883 -1.742 68 2HG2 ILE 9 HG22 ILE 9 11.467 8.801 -2.225 69 3HG2 ILE 9 HG23 ILE 9 11.705 10.312 -3.082 70 1HD1 ILE 9 HD11 ILE 9 10.275 8.048 1.267 71 2HD1 ILE 9 HD12 ILE 9 9.600 8.257 -0.365 72 3HD1 ILE 9 HD13 ILE 9 11.302 7.785 -0.151 73 HA PRO 10 HA PRO 10 12.074 14.809 -3.963 74 1HB PRO 10 HB2 PRO 10 14.607 14.380 -4.970 75 2HB PRO 10 HB3 PRO 10 14.266 15.358 -3.509 76 1HG PRO 10 HG2 PRO 10 15.125 12.456 -3.655 77 2HG PRO 10 HG3 PRO 10 15.771 13.752 -2.600 78 1HD PRO 10 HD2 PRO 10 13.926 11.962 -1.712 79 2HD PRO 10 HD3 PRO 10 13.877 13.672 -1.187 80 H ASP 11 H ASP 11 11.605 14.604 -6.139 81 HA ASP 11 HA ASP 11 10.849 11.933 -7.024 82 1HB ASP 11 HB2 ASP 11 10.581 14.734 -8.164 83 2HB ASP 11 HB3 ASP 11 10.141 13.320 -9.093 84 H VAL 12 H VAL 12 13.227 14.411 -8.108 85 HA VAL 12 HA VAL 12 14.397 12.423 -10.000 86 HB VAL 12 HB VAL 12 13.921 15.385 -10.536 87 1HG1 VAL 12 HG11 VAL 12 14.806 13.145 -12.413 88 2HG1 VAL 12 HG12 VAL 12 14.533 14.851 -12.840 89 3HG1 VAL 12 HG13 VAL 12 15.852 14.429 -11.760 90 1HG2 VAL 12 HG21 VAL 12 11.738 14.369 -10.580 91 2HG2 VAL 12 HG22 VAL 12 12.257 14.632 -12.239 92 3HG2 VAL 12 HG23 VAL 12 12.326 12.997 -11.548 93 H ASP 13 H ASP 13 16.594 12.369 -9.990 94 HA ASP 13 HA ASP 13 18.178 14.674 -9.295 95 1HB ASP 13 HB2 ASP 13 17.824 13.660 -7.029 96 2HB ASP 13 HB3 ASP 13 18.528 12.154 -7.609 97 H ILE 14 H ILE 14 19.433 14.614 -11.120 98 HA ILE 14 HA ILE 14 20.471 12.053 -12.108 99 HB ILE 14 HB ILE 14 19.762 12.586 -14.417 100 1HG1 ILE 14 HG12 ILE 14 17.767 14.577 -13.245 101 2HG1 ILE 14 HG13 ILE 14 19.263 15.043 -14.060 102 1HG2 ILE 14 HG21 ILE 14 17.559 11.617 -14.262 103 2HG2 ILE 14 HG22 ILE 14 18.553 10.943 -12.974 104 3HG2 ILE 14 HG23 ILE 14 17.356 12.193 -12.592 105 1HD1 ILE 14 HD11 ILE 14 16.935 13.538 -15.308 106 2HD1 ILE 14 HD12 ILE 14 17.435 15.206 -15.618 107 3HD1 ILE 14 HD13 ILE 14 18.485 13.866 -16.120 108 H ASP 15 H ASP 15 22.200 12.305 -13.570 109 HA ASP 15 HA ASP 15 23.919 14.619 -13.183 110 1HB ASP 15 HB2 ASP 15 24.838 12.385 -13.466 111 2HB ASP 15 HB3 ASP 15 24.045 12.214 -15.039 112 H SER 16 H SER 16 24.857 15.679 -15.335 113 HA SER 16 HA SER 16 22.968 15.873 -17.553 114 1HB SER 16 HB2 SER 16 23.690 18.352 -15.927 115 2HB SER 16 HB3 SER 16 22.787 18.339 -17.453 116 HG SER 16 HG SER 16 21.722 16.602 -15.699 117 H ASP 17 H ASP 17 25.921 15.022 -16.905 118 HA ASP 17 HA ASP 17 27.576 17.062 -18.092 119 1HB ASP 17 HB2 ASP 17 28.418 15.404 -16.465 120 2HB ASP 17 HB3 ASP 17 28.136 14.111 -17.642 121 H GLY 18 H GLY 18 25.782 14.279 -19.404 122 1HA GLY 18 HA2 GLY 18 25.558 15.417 -21.904 123 2HA GLY 18 HA3 GLY 18 26.966 14.362 -22.053 124 H VAL 19 H VAL 19 26.567 12.045 -21.066 125 HA VAL 19 HA VAL 19 23.880 11.018 -21.759 126 HB VAL 19 HB VAL 19 26.497 9.993 -22.961 127 1HG1 VAL 19 HG11 VAL 19 25.048 8.585 -24.382 128 2HG1 VAL 19 HG12 VAL 19 24.810 8.214 -22.671 129 3HG1 VAL 19 HG13 VAL 19 23.614 9.200 -23.538 130 1HG2 VAL 19 HG21 VAL 19 26.012 12.080 -24.098 131 2HG2 VAL 19 HG22 VAL 19 25.585 10.749 -25.170 132 3HG2 VAL 19 HG23 VAL 19 24.308 11.625 -24.307 133 H PHE 20 H PHE 20 23.347 9.258 -20.424 134 HA PHE 20 HA PHE 20 25.331 7.724 -18.976 135 1HB PHE 20 HB2 PHE 20 24.496 8.446 -16.714 136 2HB PHE 20 HB3 PHE 20 25.499 9.611 -17.538 137 HD1 PHE 20 HD1 PHE 20 24.590 11.745 -18.392 138 HD2 PHE 20 HD2 PHE 20 22.102 8.919 -16.296 139 HE1 PHE 20 HE1 PHE 20 22.842 13.482 -18.109 140 HE2 PHE 20 HE2 PHE 20 20.397 10.681 -15.946 141 HZ PHE 20 HZ PHE 20 20.750 12.955 -16.879 142 H LYS 21 H LYS 21 24.177 6.173 -17.433 143 HA LYS 21 HA LYS 21 21.656 5.282 -18.713 144 1HB LYS 21 HB2 LYS 21 23.580 3.973 -16.711 145 2HB LYS 21 HB3 LYS 21 21.993 3.322 -17.051 146 1HG LYS 21 HG2 LYS 21 23.421 2.056 -18.348 147 2HG LYS 21 HG3 LYS 21 22.623 3.136 -19.491 148 1HD LYS 21 HD2 LYS 21 24.642 4.560 -19.580 149 2HD LYS 21 HD3 LYS 21 25.429 3.566 -18.348 150 1HE LYS 21 HE2 LYS 21 24.592 2.672 -21.150 151 2HE LYS 21 HE3 LYS 21 26.230 3.074 -20.631 152 1HZ LYS 21 HZ1 LYS 21 26.047 1.208 -19.013 153 2HZ LYS 21 HZ2 LYS 21 24.625 0.772 -19.705 154 3HZ LYS 21 HZ3 LYS 21 25.998 0.731 -20.583 155 H TYR 22 H TYR 22 19.832 4.667 -17.361 156 HA TYR 22 HA TYR 22 19.669 6.014 -14.749 157 1HB TYR 22 HB2 TYR 22 18.397 7.695 -15.447 158 2HB TYR 22 HB3 TYR 22 18.708 7.237 -17.098 159 HD1 TYR 22 HD1 TYR 22 17.165 5.296 -18.036 160 HD2 TYR 22 HD2 TYR 22 16.166 7.786 -14.675 161 HE1 TYR 22 HE1 TYR 22 14.796 4.658 -18.283 162 HE2 TYR 22 HE2 TYR 22 13.767 7.229 -14.974 163 HH TYR 22 HH TYR 22 12.198 6.163 -16.300 164 H VAL 23 H VAL 23 17.508 5.457 -13.716 165 HA VAL 23 HA VAL 23 16.302 2.954 -14.594 166 HB VAL 23 HB VAL 23 18.292 2.366 -13.145 167 1HG1 VAL 23 HG11 VAL 23 18.141 2.655 -10.716 168 2HG1 VAL 23 HG12 VAL 23 18.177 4.233 -11.531 169 3HG1 VAL 23 HG13 VAL 23 16.659 3.607 -10.894 170 1HG2 VAL 23 HG21 VAL 23 16.473 0.788 -13.439 171 2HG2 VAL 23 HG22 VAL 23 17.156 0.684 -11.816 172 3HG2 VAL 23 HG23 VAL 23 15.594 1.493 -12.065 173 H LEU 24 H LEU 24 14.219 2.660 -13.560 174 HA LEU 24 HA LEU 24 13.093 5.121 -12.299 175 1HB LEU 24 HB2 LEU 24 12.320 4.649 -14.654 176 2HB LEU 24 HB3 LEU 24 11.754 3.075 -14.125 177 HG LEU 24 HG LEU 24 10.166 4.280 -12.521 178 1HD1 LEU 24 HD11 LEU 24 11.011 6.727 -14.149 179 2HD1 LEU 24 HD12 LEU 24 9.674 6.644 -12.980 180 3HD1 LEU 24 HD13 LEU 24 11.331 6.475 -12.420 181 1HD2 LEU 24 HD21 LEU 24 9.884 4.912 -15.492 182 2HD2 LEU 24 HD22 LEU 24 9.420 3.385 -14.691 183 3HD2 LEU 24 HD23 LEU 24 8.569 4.882 -14.291 184 H ILE 25 H ILE 25 12.596 4.601 -10.132 185 HA ILE 25 HA ILE 25 11.987 1.740 -9.609 186 HB ILE 25 HB ILE 25 13.517 1.404 -8.167 187 1HG1 ILE 25 HG12 ILE 25 13.499 4.168 -6.946 188 2HG1 ILE 25 HG13 ILE 25 12.447 2.854 -6.429 189 1HG2 ILE 25 HG21 ILE 25 14.888 2.427 -9.947 190 2HG2 ILE 25 HG22 ILE 25 14.893 3.964 -9.032 191 3HG2 ILE 25 HG23 ILE 25 15.666 2.518 -8.371 192 1HD1 ILE 25 HD11 ILE 25 15.462 2.901 -6.214 193 2HD1 ILE 25 HD12 ILE 25 14.260 2.899 -4.917 194 3HD1 ILE 25 HD13 ILE 25 14.453 1.459 -5.937 195 H ARG 26 H ARG 26 10.355 1.245 -8.347 196 HA ARG 26 HA ARG 26 8.504 3.380 -7.548 197 1HB ARG 26 HB2 ARG 26 7.664 1.314 -8.565 198 2HB ARG 26 HB3 ARG 26 8.378 0.339 -7.279 199 1HG ARG 26 HG2 ARG 26 6.858 1.148 -5.643 200 2HG ARG 26 HG3 ARG 26 6.385 2.546 -6.624 201 1HD ARG 26 HD2 ARG 26 5.792 -0.315 -7.461 202 2HD ARG 26 HD3 ARG 26 4.682 0.666 -6.480 203 HE ARG 26 HE ARG 26 5.183 2.359 -8.537 204 1HH1 ARG 26 HH12 ARG 26 4.071 -1.033 -8.597 205 2HH1 ARG 26 HH11 ARG 26 3.195 -0.824 -10.068 206 1HH2 ARG 26 HH21 ARG 26 4.103 2.632 -10.307 207 2HH2 ARG 26 HH22 ARG 26 3.196 1.366 -11.122 208 H VAL 27 H VAL 27 8.014 3.815 -5.383 209 HA VAL 27 HA VAL 27 9.681 2.637 -3.226 210 HB VAL 27 HB VAL 27 8.935 5.572 -3.545 211 1HG1 VAL 27 HG11 VAL 27 9.320 4.824 -1.230 212 2HG1 VAL 27 HG12 VAL 27 10.963 4.313 -1.682 213 3HG1 VAL 27 HG13 VAL 27 10.500 6.022 -1.761 214 1HG2 VAL 27 HG21 VAL 27 11.646 4.401 -4.219 215 2HG2 VAL 27 HG22 VAL 27 10.505 5.185 -5.338 216 3HG2 VAL 27 HG23 VAL 27 11.256 6.128 -4.062 217 H HIS 28 H HIS 28 8.275 1.888 -1.656 218 HA HIS 28 HA HIS 28 5.410 2.704 -1.753 219 1HB HIS 28 HB2 HIS 28 6.837 0.523 -0.184 220 2HB HIS 28 HB3 HIS 28 5.095 0.782 -0.270 221 HD1 HIS 28 HD1 HIS 28 4.267 0.744 -3.156 222 HD2 HIS 28 HD2 HIS 28 7.631 -1.378 -1.764 223 HE1 HIS 28 HE1 HIS 28 4.692 -1.112 -4.832 224 H SER 29 H SER 29 4.359 3.618 0.097 225 HA SER 29 HA SER 29 5.883 5.248 1.837 226 1HB SER 29 HB2 SER 29 3.047 4.274 2.279 227 2HB SER 29 HB3 SER 29 3.805 5.722 2.946 228 HG SER 29 HG SER 29 2.756 6.503 1.251 229 H ALA 30 H ALA 30 7.403 4.137 3.072 230 HA ALA 30 HA ALA 30 6.291 3.003 5.500 231 1HB ALA 30 HB1 ALA 30 7.653 0.974 5.511 232 2HB ALA 30 HB2 ALA 30 6.605 0.985 4.093 233 3HB ALA 30 HB3 ALA 30 8.324 1.372 3.923 234 HA PRO 31 HA PRO 31 10.650 5.301 5.772 235 1HB PRO 31 HB2 PRO 31 8.822 7.606 6.468 236 2HB PRO 31 HB3 PRO 31 10.542 7.643 5.953 237 1HG PRO 31 HG2 PRO 31 8.600 8.086 4.119 238 2HG PRO 31 HG3 PRO 31 9.956 6.988 3.720 239 1HD PRO 31 HD2 PRO 31 7.157 6.284 4.612 240 2HD PRO 31 HD3 PRO 31 8.169 5.566 3.328 241 H ARG 32 H ARG 32 11.557 5.162 7.716 242 HA ARG 32 HA ARG 32 11.840 4.337 9.798 243 1HB ARG 32 HB2 ARG 32 9.883 6.562 10.428 244 2HB ARG 32 HB3 ARG 32 11.057 5.892 11.553 245 1HG ARG 32 HG2 ARG 32 11.811 7.395 8.991 246 2HG ARG 32 HG3 ARG 32 11.655 8.107 10.586 247 1HD ARG 32 HD2 ARG 32 13.952 7.774 10.240 248 2HD ARG 32 HD3 ARG 32 13.443 6.607 11.447 249 HE ARG 32 HE ARG 32 13.920 5.992 8.534 250 1HH1 ARG 32 HH21 ARG 32 14.019 4.880 11.913 251 2HH1 ARG 32 HH22 ARG 32 14.935 3.465 11.561 252 1HH2 ARG 32 HH11 ARG 32 15.360 4.236 8.125 253 2HH2 ARG 32 HH12 ARG 32 15.621 3.044 9.348 254 H SER 33 H SER 33 9.616 2.962 8.359 255 HA SER 33 HA SER 33 7.956 1.525 8.681 256 1HB SER 33 HB2 SER 33 9.213 1.043 11.407 257 2HB SER 33 HB3 SER 33 8.223 -0.084 10.466 258 HG SER 33 HG SER 33 10.467 -0.494 10.247 259 H GLY 34 H GLY 34 7.327 4.293 9.366 260 1HA GLY 34 HA2 GLY 34 5.012 3.863 11.201 261 2HA GLY 34 HA3 GLY 34 6.194 5.144 11.518 262 H ALA 35 H ALA 35 5.455 4.384 8.177 263 HA ALA 35 HA ALA 35 4.546 7.011 7.574 264 1HB ALA 35 HB1 ALA 35 4.190 4.418 6.000 265 2HB ALA 35 HB2 ALA 35 4.049 6.064 5.353 266 3HB ALA 35 HB3 ALA 35 5.616 5.485 5.946 267 HA PRO 36 HA PRO 36 0.275 6.624 8.723 268 1HB PRO 36 HB2 PRO 36 -0.934 8.607 7.291 269 2HB PRO 36 HB3 PRO 36 0.277 8.942 8.564 270 1HG PRO 36 HG2 PRO 36 0.740 8.748 5.567 271 2HG PRO 36 HG3 PRO 36 1.245 10.064 6.678 272 1HD PRO 36 HD2 PRO 36 2.941 8.054 5.972 273 2HD PRO 36 HD3 PRO 36 2.950 8.737 7.625 274 H ALA 37 H ALA 37 1.252 5.672 5.585 275 HA ALA 37 HA ALA 37 -1.270 4.332 4.960 276 1HB ALA 37 HB1 ALA 37 -0.066 6.467 3.128 277 2HB ALA 37 HB2 ALA 37 -1.500 5.469 2.787 278 3HB ALA 37 HB3 ALA 37 -1.549 6.672 4.086 279 H ALA 38 H ALA 38 -0.814 3.399 2.545 280 HA ALA 38 HA ALA 38 1.990 2.500 2.229 281 1HB ALA 38 HB1 ALA 38 -0.413 0.636 2.224 282 2HB ALA 38 HB2 ALA 38 1.273 0.208 1.842 283 3HB ALA 38 HB3 ALA 38 0.843 0.717 3.485 284 H GLU 39 H GLU 39 1.112 4.576 0.901 285 HA GLU 39 HA GLU 39 0.022 3.814 -1.708 286 1HB GLU 39 HB2 GLU 39 1.250 6.432 -0.718 287 2HB GLU 39 HB3 GLU 39 0.455 6.199 -2.270 288 1HG GLU 39 HG2 GLU 39 -0.860 6.044 0.469 289 2HG GLU 39 HG3 GLU 39 -1.027 7.332 -0.710 290 H SER 40 H SER 40 1.617 5.010 -3.539 291 HA SER 40 HA SER 40 4.398 4.248 -3.069 292 1HB SER 40 HB2 SER 40 2.975 3.242 -5.546 293 2HB SER 40 HB3 SER 40 4.612 2.868 -4.997 294 HG SER 40 HG SER 40 2.151 2.071 -3.818 295 H LYS 41 H LYS 41 5.826 5.105 -4.705 296 HA LYS 41 HA LYS 41 4.779 7.093 -6.616 297 1HB LYS 41 HB2 LYS 41 6.388 8.779 -6.005 298 2HB LYS 41 HB3 LYS 41 5.470 8.400 -4.548 299 1HG LYS 41 HG2 LYS 41 7.302 6.997 -3.722 300 2HG LYS 41 HG3 LYS 41 8.222 7.222 -5.203 301 1HD LYS 41 HD2 LYS 41 7.759 9.278 -3.047 302 2HD LYS 41 HD3 LYS 41 9.232 8.454 -3.512 303 1HE LYS 41 HE2 LYS 41 9.702 10.314 -4.634 304 2HE LYS 41 HE3 LYS 41 8.707 9.587 -5.893 305 1HZ LYS 41 HZ1 LYS 41 8.053 11.856 -5.529 306 2HZ LYS 41 HZ2 LYS 41 6.827 10.940 -4.962 307 3HZ LYS 41 HZ3 LYS 41 7.859 11.627 -3.895 308 H GLU 42 H GLU 42 6.584 7.610 -8.210 309 HA GLU 42 HA GLU 42 8.630 5.445 -8.389 310 1HB GLU 42 HB2 GLU 42 7.274 7.079 -10.577 311 2HB GLU 42 HB3 GLU 42 8.742 6.133 -10.806 312 1HG GLU 42 HG2 GLU 42 7.001 4.785 -11.616 313 2HG GLU 42 HG3 GLU 42 7.529 4.082 -10.088 314 H ILE 43 H ILE 43 10.772 6.206 -8.636 315 HA ILE 43 HA ILE 43 11.165 9.152 -8.816 316 HB ILE 43 HB ILE 43 13.149 8.917 -7.399 317 1HG1 ILE 43 HG12 ILE 43 12.172 6.119 -6.731 318 2HG1 ILE 43 HG13 ILE 43 13.568 6.475 -7.748 319 1HG2 ILE 43 HG21 ILE 43 10.923 9.631 -6.540 320 2HG2 ILE 43 HG22 ILE 43 10.637 7.963 -5.981 321 3HG2 ILE 43 HG23 ILE 43 11.957 8.940 -5.290 322 1HD1 ILE 43 HD11 ILE 43 14.711 7.566 -5.869 323 2HD1 ILE 43 HD12 ILE 43 13.323 7.230 -4.808 324 3HD1 ILE 43 HD13 ILE 43 14.254 5.894 -5.484 325 H VAL 44 H VAL 44 13.082 9.810 -9.805 326 HA VAL 44 HA VAL 44 13.943 7.986 -12.011 327 HB VAL 44 HB VAL 44 13.500 11.004 -11.847 328 1HG1 VAL 44 HG11 VAL 44 15.258 10.466 -13.497 329 2HG1 VAL 44 HG12 VAL 44 14.148 9.344 -14.311 330 3HG1 VAL 44 HG13 VAL 44 13.792 11.079 -14.271 331 1HG2 VAL 44 HG21 VAL 44 11.829 8.974 -13.377 332 2HG2 VAL 44 HG22 VAL 44 11.343 9.731 -11.843 333 3HG2 VAL 44 HG23 VAL 44 11.571 10.731 -13.265 334 H ARG 45 H ARG 45 16.114 7.471 -11.867 335 HA ARG 45 HA ARG 45 18.008 9.485 -10.770 336 1HB ARG 45 HB2 ARG 45 17.907 6.524 -10.010 337 2HB ARG 45 HB3 ARG 45 19.216 7.620 -9.589 338 1HG ARG 45 HG2 ARG 45 16.340 7.813 -8.604 339 2HG ARG 45 HG3 ARG 45 17.705 7.209 -7.699 340 1HD ARG 45 HD2 ARG 45 18.250 9.213 -6.950 341 2HD ARG 45 HD3 ARG 45 18.444 9.819 -8.589 342 HE ARG 45 HE ARG 45 16.153 10.416 -8.690 343 1HH1 ARG 45 HH11 ARG 45 17.234 9.667 -5.376 344 2HH1 ARG 45 HH12 ARG 45 15.800 10.267 -4.631 345 1HH2 ARG 45 HH21 ARG 45 14.233 11.140 -7.701 346 2HH2 ARG 45 HH22 ARG 45 14.063 11.160 -5.988 347 H GLY 46 H GLY 46 20.083 9.371 -11.769 348 1HA GLY 46 HA2 GLY 46 21.026 7.193 -13.277 349 2HA GLY 46 HA3 GLY 46 20.239 8.318 -14.396 350 H TYR 47 H TYR 47 23.180 7.532 -13.692 351 HA TYR 47 HA TYR 47 24.315 10.218 -13.822 352 1HB TYR 47 HB2 TYR 47 25.197 8.379 -11.571 353 2HB TYR 47 HB3 TYR 47 25.644 10.053 -11.827 354 HD1 TYR 47 HD1 TYR 47 24.159 11.882 -11.034 355 HD2 TYR 47 HD2 TYR 47 23.087 7.731 -10.573 356 HE1 TYR 47 HE1 TYR 47 22.496 12.506 -9.302 357 HE2 TYR 47 HE2 TYR 47 21.425 8.339 -8.843 358 HH TYR 47 HH TYR 47 20.606 10.041 -7.494 359 H LYS 48 H LYS 48 26.620 10.091 -14.432 360 HA LYS 48 HA LYS 48 27.292 7.828 -16.030 361 1HB LYS 48 HB2 LYS 48 28.950 10.153 -14.959 362 2HB LYS 48 HB3 LYS 48 29.661 8.841 -15.905 363 1HG LYS 48 HG2 LYS 48 27.994 9.263 -17.721 364 2HG LYS 48 HG3 LYS 48 27.445 10.704 -16.841 365 1HD LYS 48 HD2 LYS 48 29.632 11.747 -17.066 366 2HD LYS 48 HD3 LYS 48 30.332 10.243 -17.711 367 1HE LYS 48 HE2 LYS 48 28.766 10.357 -19.645 368 2HE LYS 48 HE3 LYS 48 28.143 11.896 -19.040 369 1HZ LYS 48 HZ1 LYS 48 30.979 11.447 -19.789 370 2HZ LYS 48 HZ2 LYS 48 29.874 12.132 -20.771 371 3HZ LYS 48 HZ3 LYS 48 30.288 12.888 -19.384 372 H TRP 49 H TRP 49 27.980 8.454 -12.562 373 HA TRP 49 HA TRP 49 30.007 6.468 -12.395 374 1HB TRP 49 HB2 TRP 49 29.535 6.463 -9.951 375 2HB TRP 49 HB3 TRP 49 29.970 7.994 -10.667 376 HD1 TRP 49 HD1 TRP 49 28.583 9.990 -10.027 377 HE1 TRP 49 HE1 TRP 49 26.443 10.425 -8.715 378 HE3 TRP 49 HE3 TRP 49 26.915 5.159 -9.558 379 HZ2 TRP 49 HZ2 TRP 49 24.280 8.867 -7.555 380 HZ3 TRP 49 HZ3 TRP 49 24.758 4.692 -8.484 381 HH2 TRP 49 HH2 TRP 49 23.409 6.536 -7.483 382 H ALA 50 H ALA 50 26.467 6.119 -12.450 383 HA ALA 50 HA ALA 50 26.718 3.227 -11.914 384 1HB ALA 50 HB1 ALA 50 24.298 4.959 -12.492 385 2HB ALA 50 HB2 ALA 50 24.301 3.189 -12.274 386 3HB ALA 50 HB3 ALA 50 24.797 4.227 -10.935 387 H GLU 51 H GLU 51 28.232 2.966 -13.689 388 HA GLU 51 HA GLU 51 27.541 3.407 -16.414 389 1HB GLU 51 HB2 GLU 51 29.334 1.287 -15.141 390 2HB GLU 51 HB3 GLU 51 29.264 1.648 -16.872 391 1HG GLU 51 HG2 GLU 51 29.949 4.003 -16.380 392 2HG GLU 51 HG3 GLU 51 30.121 3.574 -14.674 393 H TYR 52 H TYR 52 26.142 1.222 -14.153 394 HA TYR 52 HA TYR 52 24.653 -0.141 -16.281 395 1HB TYR 52 HB2 TYR 52 24.741 -2.204 -14.672 396 2HB TYR 52 HB3 TYR 52 25.955 -1.943 -15.910 397 HD1 TYR 52 HD1 TYR 52 28.159 -0.921 -15.306 398 HD2 TYR 52 HD2 TYR 52 25.400 -2.380 -12.353 399 HE1 TYR 52 HE1 TYR 52 30.025 -1.067 -13.659 400 HE2 TYR 52 HE2 TYR 52 27.236 -2.544 -10.692 401 HH TYR 52 HH TYR 52 30.627 -1.630 -11.475 402 H HIS 53 H HIS 53 22.541 -0.455 -15.732 403 HA HIS 53 HA HIS 53 21.325 1.331 -13.986 404 1HB HIS 53 HB2 HIS 53 19.975 -1.225 -14.902 405 2HB HIS 53 HB3 HIS 53 19.264 0.368 -14.671 406 HD1 HIS 53 HD1 HIS 53 19.504 2.073 -16.797 407 HD2 HIS 53 HD2 HIS 53 21.416 -1.674 -17.156 408 HE1 HIS 53 HE1 HIS 53 20.317 1.869 -19.219 409 H ALA 54 H ALA 54 22.278 -2.047 -13.386 410 HA ALA 54 HA ALA 54 20.788 -2.439 -11.001 411 1HB ALA 54 HB1 ALA 54 21.864 -4.284 -12.243 412 2HB ALA 54 HB2 ALA 54 23.470 -3.641 -11.821 413 3HB ALA 54 HB3 ALA 54 22.396 -4.253 -10.550 414 H ASP 55 H ASP 55 23.779 -0.577 -11.578 415 HA ASP 55 HA ASP 55 24.655 -0.617 -8.837 416 1HB ASP 55 HB2 ASP 55 26.050 0.087 -10.874 417 2HB ASP 55 HB3 ASP 55 25.160 1.586 -10.866 418 H ILE 56 H ILE 56 22.671 1.696 -10.761 419 HA ILE 56 HA ILE 56 22.182 3.399 -8.486 420 HB ILE 56 HB ILE 56 20.085 4.005 -10.086 421 1HG1 ILE 56 HG12 ILE 56 22.115 2.854 -12.012 422 2HG1 ILE 56 HG13 ILE 56 20.373 2.606 -11.907 423 1HG2 ILE 56 HG21 ILE 56 22.859 5.159 -10.309 424 2HG2 ILE 56 HG22 ILE 56 21.321 5.966 -10.704 425 3HG2 ILE 56 HG23 ILE 56 21.656 5.500 -9.046 426 1HD1 ILE 56 HD11 ILE 56 20.888 3.944 -13.831 427 2HD1 ILE 56 HD12 ILE 56 20.080 4.996 -12.646 428 3HD1 ILE 56 HD13 ILE 56 21.845 5.084 -12.875 429 H TYR 57 H TYR 57 20.344 0.593 -9.925 430 HA TYR 57 HA TYR 57 18.127 0.986 -8.187 431 1HB TYR 57 HB2 TYR 57 17.935 -0.628 -9.974 432 2HB TYR 57 HB3 TYR 57 19.240 -1.605 -9.297 433 HD1 TYR 57 HD1 TYR 57 16.065 -0.013 -7.943 434 HD2 TYR 57 HD2 TYR 57 18.510 -3.561 -8.214 435 HE1 TYR 57 HE1 TYR 57 14.536 -1.171 -6.399 436 HE2 TYR 57 HE2 TYR 57 16.956 -4.746 -6.701 437 HH TYR 57 HH TYR 57 14.085 -3.175 -5.221 438 H ASP 58 H ASP 58 21.180 -0.927 -7.626 439 HA ASP 58 HA ASP 58 20.452 -1.800 -5.040 440 1HB ASP 58 HB2 ASP 58 22.303 -2.789 -6.270 441 2HB ASP 58 HB3 ASP 58 23.198 -1.266 -6.229 442 H LYS 59 H LYS 59 22.381 1.088 -6.016 443 HA LYS 59 HA LYS 59 22.888 2.059 -3.400 444 1HB LYS 59 HB2 LYS 59 24.138 2.789 -5.287 445 2HB LYS 59 HB3 LYS 59 22.714 3.417 -6.114 446 1HG LYS 59 HG2 LYS 59 22.646 5.359 -4.917 447 2HG LYS 59 HG3 LYS 59 23.271 4.619 -3.424 448 1HD LYS 59 HD2 LYS 59 25.517 4.565 -4.258 449 2HD LYS 59 HD3 LYS 59 25.000 5.051 -5.878 450 1HE LYS 59 HE2 LYS 59 24.167 7.228 -4.910 451 2HE LYS 59 HE3 LYS 59 24.834 6.745 -3.344 452 1HZ LYS 59 HZ1 LYS 59 27.032 6.690 -4.387 453 2HZ LYS 59 HZ2 LYS 59 26.401 7.140 -5.831 454 3HZ LYS 59 HZ3 LYS 59 26.361 8.164 -4.561 455 H VAL 60 H VAL 60 20.232 2.911 -5.692 456 HA VAL 60 HA VAL 60 19.171 4.864 -3.870 457 HB VAL 60 HB VAL 60 18.010 3.675 -6.402 458 1HG1 VAL 60 HG11 VAL 60 17.278 6.228 -4.880 459 2HG1 VAL 60 HG12 VAL 60 16.553 5.651 -6.409 460 3HG1 VAL 60 HG13 VAL 60 16.305 4.763 -4.897 461 1HG2 VAL 60 HG21 VAL 60 20.290 4.959 -6.549 462 2HG2 VAL 60 HG22 VAL 60 18.978 5.491 -7.567 463 3HG2 VAL 60 HG23 VAL 60 19.373 6.385 -6.067 464 H SER 61 H SER 61 18.251 1.440 -4.674 465 HA SER 61 HA SER 61 15.952 1.402 -2.999 466 1HB SER 61 HB2 SER 61 16.627 -0.328 -4.706 467 2HB SER 61 HB3 SER 61 17.860 -0.903 -3.564 468 HG SER 61 HG SER 61 15.922 -2.089 -3.407 469 H GLY 62 H GLY 62 19.477 0.883 -2.301 470 1HA GLY 62 HA2 GLY 62 19.284 0.239 0.425 471 2HA GLY 62 HA3 GLY 62 20.630 1.086 -0.357 472 H ASP 63 H ASP 63 19.641 3.529 -1.075 473 HA ASP 63 HA ASP 63 19.497 4.984 1.364 474 1HB ASP 63 HB2 ASP 63 20.341 5.957 -0.704 475 2HB ASP 63 HB3 ASP 63 18.771 5.779 -1.487 476 H MET 64 H MET 64 16.837 4.175 -0.996 477 HA MET 64 HA MET 64 14.751 5.363 0.520 478 1HB MET 64 HB2 MET 64 14.743 2.919 -1.285 479 2HB MET 64 HB3 MET 64 13.298 3.736 -0.704 480 1HG MET 64 HG2 MET 64 15.373 5.079 -2.467 481 2HG MET 64 HG3 MET 64 13.862 4.374 -3.008 482 1HE MET 64 HE1 MET 64 15.582 7.530 -2.323 483 2HE MET 64 HE2 MET 64 14.539 8.515 -1.274 484 3HE MET 64 HE3 MET 64 15.407 7.126 -0.600 485 H GLN 65 H GLN 65 16.062 1.979 0.745 486 HA GLN 65 HA GLN 65 14.220 1.194 2.770 487 1HB GLN 65 HB2 GLN 65 16.946 0.240 1.834 488 2HB GLN 65 HB3 GLN 65 16.133 -0.553 3.181 489 1HG GLN 65 HG2 GLN 65 14.341 -0.305 0.854 490 2HG GLN 65 HG3 GLN 65 15.845 -1.101 0.424 491 1HE2 GLN 65 HE22 GLN 65 12.960 -1.343 2.483 492 2HE2 GLN 65 HE21 GLN 65 13.181 -3.035 2.900 493 H LYS 66 H LYS 66 17.372 2.852 2.923 494 HA LYS 66 HA LYS 66 17.592 2.832 5.785 495 1HB LYS 66 HB2 LYS 66 19.500 3.213 4.506 496 2HB LYS 66 HB3 LYS 66 18.784 4.454 3.531 497 1HG LYS 66 HG2 LYS 66 19.355 4.825 6.493 498 2HG LYS 66 HG3 LYS 66 20.544 5.102 5.217 499 1HD LYS 66 HD2 LYS 66 17.950 6.668 5.495 500 2HD LYS 66 HD3 LYS 66 19.570 7.206 5.952 501 1HE LYS 66 HE2 LYS 66 20.316 6.875 3.583 502 2HE LYS 66 HE3 LYS 66 18.661 6.440 3.149 503 1HZ LYS 66 HZ1 LYS 66 19.079 8.641 2.600 504 2HZ LYS 66 HZ2 LYS 66 17.967 8.673 3.825 505 3HZ LYS 66 HZ3 LYS 66 19.540 9.080 4.120 506 H GLN 67 H GLN 67 15.866 5.071 3.505 507 HA GLN 67 HA GLN 67 14.899 6.818 5.558 508 1HB GLN 67 HB2 GLN 67 13.418 6.005 3.031 509 2HB GLN 67 HB3 GLN 67 13.029 7.351 4.071 510 1HG GLN 67 HG2 GLN 67 15.722 7.114 2.687 511 2HG GLN 67 HG3 GLN 67 14.325 7.850 1.914 512 1HE2 GLN 67 HE22 GLN 67 13.346 9.775 3.028 513 2HE2 GLN 67 HE21 GLN 67 14.403 10.807 3.962 514 H GLY 68 H GLY 68 13.680 3.791 4.209 515 1HA GLY 68 HA2 GLY 68 13.061 2.216 6.181 516 2HA GLY 68 HA3 GLY 68 11.729 3.350 6.413 517 H CYS 69 H CYS 69 12.315 3.344 3.130 518 HA CYS 69 HA CYS 69 9.720 2.232 2.582 519 1HB CYS 69 HB2 CYS 69 11.999 3.327 0.907 520 2HB CYS 69 HB3 CYS 69 10.450 2.859 0.213 521 HG CYS 69 HG CYS 69 8.973 4.479 1.292 522 H ASP 70 H ASP 70 9.599 0.888 0.467 523 HA ASP 70 HA ASP 70 11.634 -1.236 0.244 524 1HB ASP 70 HB2 ASP 70 9.813 -2.293 1.498 525 2HB ASP 70 HB3 ASP 70 8.616 -1.653 0.365 526 H CYS 71 H CYS 71 11.920 -1.752 -2.005 527 HA CYS 71 HA CYS 71 10.506 0.016 -3.911 528 1HB CYS 71 HB2 CYS 71 13.520 -0.073 -3.364 529 2HB CYS 71 HB3 CYS 71 12.769 0.725 -4.758 530 HG CYS 71 HG CYS 71 11.385 2.386 -3.589 531 H GLU 72 H GLU 72 11.153 -0.334 -6.173 532 HA GLU 72 HA GLU 72 12.477 -2.850 -6.885 533 1HB GLU 72 HB2 GLU 72 10.229 -3.647 -6.406 534 2HB GLU 72 HB3 GLU 72 9.497 -2.321 -7.323 535 1HG GLU 72 HG2 GLU 72 10.353 -3.170 -9.400 536 2HG GLU 72 HG3 GLU 72 11.364 -4.363 -8.573 537 H CYS 73 H CYS 73 13.565 -2.433 -8.815 538 HA CYS 73 HA CYS 73 13.213 0.060 -10.261 539 1HB CYS 73 HB2 CYS 73 14.706 -1.225 -11.944 540 2HB CYS 73 HB3 CYS 73 15.401 -0.731 -10.400 541 HG CYS 73 HG CYS 73 16.173 -3.186 -11.277 542 H LEU 74 H LEU 74 11.420 0.377 -11.499 543 HA LEU 74 HA LEU 74 9.692 -1.795 -12.387 544 1HB LEU 74 HB2 LEU 74 9.808 1.161 -13.144 545 2HB LEU 74 HB3 LEU 74 8.558 0.032 -13.651 546 HG LEU 74 HG LEU 74 9.110 0.954 -10.802 547 1HD1 LEU 74 HD11 LEU 74 7.966 2.588 -12.251 548 2HD1 LEU 74 HD12 LEU 74 6.734 1.378 -12.669 549 3HD1 LEU 74 HD13 LEU 74 6.873 1.968 -11.002 550 1HD2 LEU 74 HD21 LEU 74 7.070 -1.077 -11.816 551 2HD2 LEU 74 HD22 LEU 74 8.375 -1.359 -10.637 552 3HD2 LEU 74 HD23 LEU 74 7.019 -0.317 -10.213 553 H GLY 75 H GLY 75 12.420 0.027 -13.689 554 1HA GLY 75 HA2 GLY 75 13.284 -1.867 -15.492 555 2HA GLY 75 HA3 GLY 75 12.231 -0.792 -16.427 556 H GLY 76 H GLY 76 14.465 -0.344 -17.457 557 1HA GLY 76 HA2 GLY 76 15.333 2.232 -16.427 558 2HA GLY 76 HA3 GLY 76 16.605 0.999 -16.412 559 H GLY 77 H GLY 77 17.401 2.805 -17.933 560 1HA GLY 77 HA2 GLY 77 17.414 2.034 -20.662 561 2HA GLY 77 HA3 GLY 77 16.275 3.381 -20.431 562 H ARG 78 H ARG 78 17.859 4.754 -21.677 563 HA ARG 78 HA ARG 78 19.849 5.830 -19.786 564 1HB ARG 78 HB2 ARG 78 21.653 5.889 -21.372 565 2HB ARG 78 HB3 ARG 78 21.115 4.228 -21.147 566 1HG ARG 78 HG2 ARG 78 19.828 4.400 -23.310 567 2HG ARG 78 HG3 ARG 78 20.497 6.035 -23.521 568 1HD ARG 78 HD2 ARG 78 22.818 5.038 -23.383 569 2HD ARG 78 HD3 ARG 78 22.080 3.435 -23.287 570 HE ARG 78 HE ARG 78 21.470 3.512 -25.529 571 1HH1 ARG 78 HH21 ARG 78 22.892 6.681 -24.652 572 2HH1 ARG 78 HH22 ARG 78 22.861 7.253 -26.292 573 1HH2 ARG 78 HH11 ARG 78 21.439 4.239 -27.524 574 2HH2 ARG 78 HH12 ARG 78 21.809 5.905 -27.941 575 H ILE 79 H ILE 79 20.728 7.867 -20.498 576 HA ILE 79 HA ILE 79 18.564 9.577 -21.584 577 HB ILE 79 HB ILE 79 20.206 9.682 -19.019 578 1HG1 ILE 79 HG12 ILE 79 17.226 9.820 -19.666 579 2HG1 ILE 79 HG13 ILE 79 18.066 8.442 -18.977 580 1HG2 ILE 79 HG21 ILE 79 18.560 11.943 -20.296 581 2HG2 ILE 79 HG22 ILE 79 19.257 12.000 -18.666 582 3HG2 ILE 79 HG23 ILE 79 20.323 11.956 -20.056 583 1HD1 ILE 79 HD11 ILE 79 18.539 9.803 -16.924 584 2HD1 ILE 79 HD12 ILE 79 17.519 11.100 -17.599 585 3HD1 ILE 79 HD13 ILE 79 16.818 9.521 -17.241 586 H SER 80 H SER 80 19.302 11.142 -22.979 587 HA SER 80 HA SER 80 22.187 11.514 -23.423 588 1HB SER 80 HB2 SER 80 21.510 9.326 -24.504 589 2HB SER 80 HB3 SER 80 20.351 10.223 -25.500 590 HG SER 80 HG SER 80 22.568 9.793 -26.360 591 H HIS 81 H HIS 81 22.506 12.894 -25.375 592 HA HIS 81 HA HIS 81 20.230 14.645 -26.084 593 1HB HIS 81 HB2 HIS 81 21.611 16.621 -26.098 594 2HB HIS 81 HB3 HIS 81 21.588 15.913 -24.490 595 HD1 HIS 81 HD1 HIS 81 23.985 15.749 -27.567 596 HD2 HIS 81 HD2 HIS 81 23.911 15.827 -23.365 597 HE1 HIS 81 HE1 HIS 81 26.429 15.772 -26.808 598 H GLN 82 H GLN 82 21.609 12.175 -27.201 599 HA GLN 82 HA GLN 82 22.825 12.893 -29.687 600 1HB GLN 82 HB2 GLN 82 21.375 10.429 -28.657 601 2HB GLN 82 HB3 GLN 82 21.981 10.512 -30.315 602 1HG GLN 82 HG2 GLN 82 24.250 10.761 -29.627 603 2HG GLN 82 HG3 GLN 82 23.815 11.053 -27.951 604 1HE2 GLN 82 HE22 GLN 82 24.492 8.576 -30.325 605 2HE2 GLN 82 HE21 GLN 82 24.254 7.213 -29.262 606 H SER 83 H SER 83 19.833 13.791 -28.686 607 HA SER 83 HA SER 83 18.065 13.667 -30.797 608 1HB SER 83 HB2 SER 83 18.643 16.133 -29.143 609 2HB SER 83 HB3 SER 83 17.064 15.479 -29.611 610 HG SER 83 HG SER 83 17.754 15.242 -27.367 611 H GLN 84 H GLN 84 21.197 15.155 -30.784 612 HA GLN 84 HA GLN 84 22.313 16.642 -31.993 613 1HB GLN 84 HB2 GLN 84 20.227 16.269 -34.176 614 2HB GLN 84 HB3 GLN 84 21.816 17.013 -34.348 615 1HG GLN 84 HG2 GLN 84 22.895 14.861 -33.690 616 2HG GLN 84 HG3 GLN 84 21.305 14.101 -33.595 617 1HE2 GLN 84 HE22 GLN 84 20.066 13.782 -35.585 618 2HE2 GLN 84 HE21 GLN 84 20.861 13.822 -37.139 619 H ASP 85 H ASP 85 20.417 17.443 -30.048 620 HA ASP 85 HA ASP 85 20.307 20.284 -30.482 621 1HB ASP 85 HB2 ASP 85 18.139 19.566 -31.538 622 2HB ASP 85 HB3 ASP 85 17.716 18.708 -30.054 623 H LYS 86 H LYS 86 19.852 21.275 -28.270 624 HA LYS 86 HA LYS 86 21.056 19.762 -26.189 625 1HB LYS 86 HB2 LYS 86 21.155 22.211 -26.282 626 2HB LYS 86 HB3 LYS 86 19.402 22.321 -26.114 627 1HG LYS 86 HG2 LYS 86 20.498 22.903 -24.028 628 2HG LYS 86 HG3 LYS 86 19.515 21.465 -23.833 629 1HD LYS 86 HD2 LYS 86 21.732 20.124 -24.169 630 2HD LYS 86 HD3 LYS 86 22.551 21.663 -23.907 631 1HE LYS 86 HE2 LYS 86 20.537 20.334 -22.025 632 2HE LYS 86 HE3 LYS 86 22.288 20.203 -21.863 633 1HZ LYS 86 HZ1 LYS 86 20.795 22.753 -21.676 634 2HZ LYS 86 HZ2 LYS 86 21.322 21.862 -20.405 635 3HZ LYS 86 HZ3 LYS 86 22.406 22.552 -21.429 636 H LYS 87 H LYS 87 17.664 19.910 -27.203 637 HA LYS 87 HA LYS 87 16.418 19.250 -24.789 638 1HB LYS 87 HB2 LYS 87 15.387 19.852 -27.021 639 2HB LYS 87 HB3 LYS 87 15.541 18.144 -27.474 640 1HG LYS 87 HG2 LYS 87 14.146 17.502 -25.531 641 2HG LYS 87 HG3 LYS 87 14.107 19.181 -24.982 642 1HD LYS 87 HD2 LYS 87 12.817 18.074 -27.504 643 2HD LYS 87 HD3 LYS 87 12.015 18.641 -26.031 644 1HE LYS 87 HE2 LYS 87 13.161 20.925 -26.509 645 2HE LYS 87 HE3 LYS 87 13.479 20.282 -28.129 646 1HZ LYS 87 HZ1 LYS 87 11.022 19.931 -28.292 647 2HZ LYS 87 HZ2 LYS 87 10.858 20.697 -26.831 648 3HZ LYS 87 HZ3 LYS 87 11.437 21.504 -28.130 649 H ILE 88 H ILE 88 16.579 17.623 -23.438 650 HA ILE 88 HA ILE 88 18.377 15.431 -23.951 651 HB ILE 88 HB ILE 88 16.409 15.937 -21.681 652 1HG1 ILE 88 HG12 ILE 88 17.904 17.843 -21.817 653 2HG1 ILE 88 HG13 ILE 88 18.260 16.885 -20.403 654 1HG2 ILE 88 HG21 ILE 88 17.979 14.544 -20.306 655 2HG2 ILE 88 HG22 ILE 88 17.125 13.634 -21.544 656 3HG2 ILE 88 HG23 ILE 88 18.822 14.087 -21.800 657 1HD1 ILE 88 HD11 ILE 88 20.253 15.915 -21.527 658 2HD1 ILE 88 HD12 ILE 88 19.881 16.860 -22.989 659 3HD1 ILE 88 HD13 ILE 88 20.312 17.684 -21.483 660 H HIS 89 H HIS 89 17.741 13.130 -23.861 661 HA HIS 89 HA HIS 89 14.935 12.554 -24.593 662 1HB HIS 89 HB2 HIS 89 16.517 12.806 -26.611 663 2HB HIS 89 HB3 HIS 89 17.290 11.322 -26.050 664 HD1 HIS 89 HD1 HIS 89 13.791 12.599 -27.143 665 HD2 HIS 89 HD2 HIS 89 16.114 9.097 -26.868 666 HE1 HIS 89 HE1 HIS 89 12.454 10.750 -28.297 667 H VAL 90 H VAL 90 14.264 10.487 -23.898 668 HA VAL 90 HA VAL 90 16.155 8.897 -22.230 669 HB VAL 90 HB VAL 90 13.201 9.329 -21.629 670 1HG1 VAL 90 HG11 VAL 90 15.494 8.339 -19.879 671 2HG1 VAL 90 HG12 VAL 90 13.774 8.415 -19.443 672 3HG1 VAL 90 HG13 VAL 90 14.328 7.308 -20.710 673 1HG2 VAL 90 HG21 VAL 90 14.106 11.523 -21.370 674 2HG2 VAL 90 HG22 VAL 90 13.921 10.837 -19.757 675 3HG2 VAL 90 HG23 VAL 90 15.531 10.930 -20.508 676 H TYR 91 H TYR 91 16.310 6.837 -23.069 677 HA TYR 91 HA TYR 91 14.063 5.486 -24.281 678 1HB TYR 91 HB2 TYR 91 14.732 5.451 -26.533 679 2HB TYR 91 HB3 TYR 91 14.642 7.112 -26.074 680 HD1 TYR 91 HD1 TYR 91 17.730 6.579 -24.664 681 HD2 TYR 91 HD2 TYR 91 15.831 6.375 -28.541 682 HE1 TYR 91 HE1 TYR 91 19.868 7.044 -25.721 683 HE2 TYR 91 HE2 TYR 91 17.994 6.878 -29.622 684 HH TYR 91 HH TYR 91 20.219 7.425 -29.307 685 H GLY 92 H GLY 92 15.350 3.587 -25.803 686 1HA GLY 92 HA2 GLY 92 16.732 1.740 -25.703 687 2HA GLY 92 HA3 GLY 92 17.691 2.518 -24.435 688 H TYR 93 H TYR 93 17.662 0.398 -23.411 689 HA TYR 93 HA TYR 93 15.457 0.078 -21.533 690 1HB TYR 93 HB2 TYR 93 15.182 -2.333 -22.046 691 2HB TYR 93 HB3 TYR 93 14.612 -1.302 -23.344 692 HD1 TYR 93 HD1 TYR 93 15.830 -1.170 -25.509 693 HD2 TYR 93 HD2 TYR 93 17.043 -3.878 -22.375 694 HE1 TYR 93 HE1 TYR 93 17.181 -2.443 -27.138 695 HE2 TYR 93 HE2 TYR 93 18.409 -5.153 -23.991 696 HH TYR 93 HH TYR 93 19.102 -5.345 -26.208 697 H SER 94 H SER 94 16.136 -1.199 -19.683 698 HA SER 94 HA SER 94 19.052 -1.428 -19.407 699 1HB SER 94 HB2 SER 94 18.626 -2.122 -17.142 700 2HB SER 94 HB3 SER 94 17.698 -0.664 -17.491 701 HG SER 94 HG SER 94 15.852 -2.118 -17.821 702 H MET 95 H MET 95 20.216 -3.349 -19.642 703 HA MET 95 HA MET 95 18.938 -5.644 -20.813 704 1HB MET 95 HB2 MET 95 21.361 -5.030 -21.070 705 2HB MET 95 HB3 MET 95 21.625 -5.457 -19.375 706 1HG MET 95 HG2 MET 95 22.327 -7.270 -20.819 707 2HG MET 95 HG3 MET 95 20.948 -7.787 -19.856 708 1HE MET 95 HE1 MET 95 20.517 -9.852 -23.151 709 2HE MET 95 HE2 MET 95 22.035 -9.416 -22.334 710 3HE MET 95 HE3 MET 95 20.617 -9.905 -21.377 711 H ALA 96 H ALA 96 19.703 -4.657 -17.485 712 HA ALA 96 HA ALA 96 19.309 -7.209 -16.283 713 1HB ALA 96 HB1 ALA 96 19.393 -5.930 -14.172 714 2HB ALA 96 HB2 ALA 96 20.691 -5.443 -15.277 715 3HB ALA 96 HB3 ALA 96 19.254 -4.409 -15.074 716 H TYR 97 H TYR 97 17.040 -4.412 -16.744 717 HA TYR 97 HA TYR 97 14.887 -6.081 -15.529 718 1HB TYR 97 HB2 TYR 97 15.262 -3.101 -15.139 719 2HB TYR 97 HB3 TYR 97 14.139 -4.160 -14.304 720 HD1 TYR 97 HD1 TYR 97 17.174 -2.442 -13.962 721 HD2 TYR 97 HD2 TYR 97 15.366 -6.253 -13.052 722 HE1 TYR 97 HE1 TYR 97 18.856 -2.807 -12.190 723 HE2 TYR 97 HE2 TYR 97 17.062 -6.644 -11.290 724 HH TYR 97 HH TYR 97 19.668 -4.295 -10.550 725 H GLY 98 H GLY 98 15.752 -4.696 -18.437 726 1HA GLY 98 HA2 GLY 98 14.451 -4.553 -20.340 727 2HA GLY 98 HA3 GLY 98 12.980 -4.735 -19.376 728 HA PRO 99 HA PRO 99 13.542 -0.246 -20.614 729 1HB PRO 99 HB2 PRO 99 11.136 0.113 -21.893 730 2HB PRO 99 HB3 PRO 99 12.607 -0.472 -22.711 731 1HG PRO 99 HG2 PRO 99 10.289 -2.094 -21.636 732 2HG PRO 99 HG3 PRO 99 11.137 -2.272 -23.203 733 1HD PRO 99 HD2 PRO 99 11.680 -3.849 -21.031 734 2HD PRO 99 HD3 PRO 99 12.951 -3.379 -22.198 735 H ALA 100 H ALA 100 12.870 1.343 -19.271 736 HA ALA 100 HA ALA 100 10.884 0.872 -17.172 737 1HB ALA 100 HB1 ALA 100 12.877 2.334 -16.822 738 2HB ALA 100 HB2 ALA 100 12.326 3.369 -18.144 739 3HB ALA 100 HB3 ALA 100 11.385 3.256 -16.644 740 H GLN 101 H GLN 101 9.128 2.713 -16.966 741 HA GLN 101 HA GLN 101 7.403 2.749 -19.263 742 1HB GLN 101 HB2 GLN 101 7.475 4.580 -16.825 743 2HB GLN 101 HB3 GLN 101 6.172 4.520 -18.010 744 1HG GLN 101 HG2 GLN 101 6.972 2.282 -16.110 745 2HG GLN 101 HG3 GLN 101 5.556 3.328 -16.002 746 1HE2 GLN 101 HE22 GLN 101 3.888 3.157 -17.774 747 2HE2 GLN 101 HE21 GLN 101 3.703 1.630 -18.595 748 H HIS 102 H HIS 102 9.962 4.889 -18.149 749 HA HIS 102 HA HIS 102 10.928 6.757 -18.781 750 1HB HIS 102 HB2 HIS 102 9.946 6.011 -21.522 751 2HB HIS 102 HB3 HIS 102 11.220 7.186 -21.181 752 HD1 HIS 102 HD1 HIS 102 10.938 3.708 -22.203 753 HD2 HIS 102 HD2 HIS 102 13.213 5.817 -19.371 754 HE1 HIS 102 HE1 HIS 102 12.968 2.260 -21.672 755 H ALA 103 H ALA 103 7.544 6.684 -19.903 756 HA ALA 103 HA ALA 103 7.134 9.379 -20.417 757 1HB ALA 103 HB1 ALA 103 5.462 7.636 -20.806 758 2HB ALA 103 HB2 ALA 103 5.280 7.367 -19.054 759 3HB ALA 103 HB3 ALA 103 4.776 8.911 -19.785 760 H ILE 104 H ILE 104 7.143 7.713 -17.247 761 HA ILE 104 HA ILE 104 6.352 9.890 -15.609 762 HB ILE 104 HB ILE 104 8.101 7.449 -15.074 763 1HG1 ILE 104 HG12 ILE 104 6.300 6.571 -13.780 764 2HG1 ILE 104 HG13 ILE 104 5.364 8.065 -13.895 765 1HG2 ILE 104 HG21 ILE 104 8.850 9.104 -13.457 766 2HG2 ILE 104 HG22 ILE 104 7.171 9.562 -13.086 767 3HG2 ILE 104 HG23 ILE 104 7.795 7.969 -12.624 768 1HD1 ILE 104 HD11 ILE 104 5.949 6.252 -16.260 769 2HD1 ILE 104 HD12 ILE 104 4.481 6.180 -15.269 770 3HD1 ILE 104 HD13 ILE 104 4.827 7.634 -16.213 771 H SER 105 H SER 105 9.628 8.826 -16.724 772 HA SER 105 HA SER 105 11.156 10.700 -15.376 773 1HB SER 105 HB2 SER 105 11.710 9.688 -18.183 774 2HB SER 105 HB3 SER 105 12.861 10.163 -16.944 775 HG SER 105 HG SER 105 12.595 7.889 -17.083 776 H THR 106 H THR 106 9.849 10.969 -18.750 777 HA THR 106 HA THR 106 10.735 13.597 -19.161 778 HB THR 106 HB THR 106 8.541 13.610 -20.711 779 HG1 THR 106 HG1 THR 106 7.790 11.582 -19.746 780 1HG2 THR 106 HG21 THR 106 10.795 13.620 -21.573 781 2HG2 THR 106 HG22 THR 106 11.028 11.907 -21.145 782 3HG2 THR 106 HG23 THR 106 9.866 12.378 -22.409 783 H GLU 107 H GLU 107 7.571 12.571 -17.696 784 HA GLU 107 HA GLU 107 6.592 15.239 -17.546 785 1HB GLU 107 HB2 GLU 107 5.898 12.700 -16.014 786 2HB GLU 107 HB3 GLU 107 5.062 14.239 -15.767 787 1HG GLU 107 HG2 GLU 107 4.470 14.313 -18.181 788 2HG GLU 107 HG3 GLU 107 5.229 12.742 -18.418 789 H LYS 108 H LYS 108 8.328 13.207 -15.111 790 HA LYS 108 HA LYS 108 8.128 15.283 -13.109 791 1HB LYS 108 HB2 LYS 108 9.798 12.731 -13.236 792 2HB LYS 108 HB3 LYS 108 9.741 13.838 -11.851 793 1HG LYS 108 HG2 LYS 108 7.252 13.580 -11.773 794 2HG LYS 108 HG3 LYS 108 7.363 12.313 -13.003 795 1HD LYS 108 HD2 LYS 108 8.688 10.902 -11.500 796 2HD LYS 108 HD3 LYS 108 8.844 12.233 -10.351 797 1HE LYS 108 HE2 LYS 108 6.233 12.239 -10.308 798 2HE LYS 108 HE3 LYS 108 6.369 10.621 -11.003 799 1HZ LYS 108 HZ1 LYS 108 7.755 10.035 -9.030 800 2HZ LYS 108 HZ2 LYS 108 7.529 11.531 -8.410 801 3HZ LYS 108 HZ3 LYS 108 6.246 10.537 -8.604 802 H ILE 109 H ILE 109 10.729 14.378 -15.427 803 HA ILE 109 HA ILE 109 12.634 16.270 -14.403 804 HB ILE 109 HB ILE 109 12.240 14.963 -17.105 805 1HG1 ILE 109 HG12 ILE 109 14.515 14.600 -15.095 806 2HG1 ILE 109 HG13 ILE 109 13.047 13.625 -15.043 807 1HG2 ILE 109 HG21 ILE 109 14.618 16.700 -16.311 808 2HG2 ILE 109 HG22 ILE 109 14.442 15.798 -17.822 809 3HG2 ILE 109 HG23 ILE 109 13.380 17.157 -17.497 810 1HD1 ILE 109 HD11 ILE 109 13.513 12.857 -17.397 811 2HD1 ILE 109 HD12 ILE 109 15.075 13.704 -17.313 812 3HD1 ILE 109 HD13 ILE 109 14.732 12.372 -16.204 813 H LYS 110 H LYS 110 9.984 16.596 -16.934 814 HA LYS 110 HA LYS 110 10.614 19.343 -17.425 815 1HB LYS 110 HB2 LYS 110 8.055 17.729 -17.768 816 2HB LYS 110 HB3 LYS 110 8.142 19.455 -18.158 817 1HG LYS 110 HG2 LYS 110 9.971 19.093 -19.726 818 2HG LYS 110 HG3 LYS 110 10.019 17.371 -19.323 819 1HD LYS 110 HD2 LYS 110 7.768 17.042 -20.230 820 2HD LYS 110 HD3 LYS 110 7.638 18.784 -20.599 821 1HE LYS 110 HE2 LYS 110 9.589 18.641 -22.100 822 2HE LYS 110 HE3 LYS 110 9.835 16.953 -21.663 823 1HZ LYS 110 HZ1 LYS 110 7.674 16.457 -22.707 824 2HZ LYS 110 HZ2 LYS 110 7.508 18.019 -23.164 825 3HZ LYS 110 HZ3 LYS 110 8.731 17.109 -23.762 826 H ALA 111 H ALA 111 8.419 17.865 -14.982 827 HA ALA 111 HA ALA 111 7.391 20.299 -13.989 828 1HB ALA 111 HB1 ALA 111 6.811 19.001 -11.980 829 2HB ALA 111 HB2 ALA 111 6.445 18.082 -13.453 830 3HB ALA 111 HB3 ALA 111 7.887 17.686 -12.489 831 H LYS 112 H LYS 112 10.308 18.440 -12.910 832 HA LYS 112 HA LYS 112 10.939 20.436 -10.884 833 1HB LYS 112 HB2 LYS 112 12.477 18.037 -11.944 834 2HB LYS 112 HB3 LYS 112 13.028 19.047 -10.607 835 1HG LYS 112 HG2 LYS 112 10.394 17.519 -10.646 836 2HG LYS 112 HG3 LYS 112 11.883 16.956 -9.881 837 1HD LYS 112 HD2 LYS 112 11.837 18.978 -8.395 838 2HD LYS 112 HD3 LYS 112 10.267 19.428 -9.072 839 1HE LYS 112 HE2 LYS 112 10.875 16.786 -7.683 840 2HE LYS 112 HE3 LYS 112 10.173 18.184 -6.874 841 1HZ LYS 112 HZ1 LYS 112 8.554 16.461 -7.659 842 2HZ LYS 112 HZ2 LYS 112 8.218 17.991 -8.159 843 3HZ LYS 112 HZ3 LYS 112 8.865 16.901 -9.197 844 H TYR 113 H TYR 113 11.794 19.976 -14.219 845 HA TYR 113 HA TYR 113 13.235 20.794 -15.626 846 1HB TYR 113 HB2 TYR 113 11.570 22.715 -15.130 847 2HB TYR 113 HB3 TYR 113 12.943 23.539 -14.421 848 HD1 TYR 113 HD1 TYR 113 11.379 22.243 -17.491 849 HD2 TYR 113 HD2 TYR 113 14.881 24.211 -15.912 850 HE1 TYR 113 HE1 TYR 113 12.031 22.902 -19.784 851 HE2 TYR 113 HE2 TYR 113 15.552 24.861 -18.205 852 HH TYR 113 HH TYR 113 13.570 24.067 -21.097 853 HA PRO 114 HA PRO 114 16.589 20.641 -12.419 854 1HB PRO 114 HB2 PRO 114 17.893 18.347 -13.205 855 2HB PRO 114 HB3 PRO 114 16.430 18.355 -12.173 856 1HG PRO 114 HG2 PRO 114 16.589 17.945 -15.171 857 2HG PRO 114 HG3 PRO 114 15.687 16.973 -13.962 858 1HD PRO 114 HD2 PRO 114 14.481 18.915 -15.433 859 2HD PRO 114 HD3 PRO 114 14.037 18.623 -13.724 860 H ASP 115 H ASP 115 16.719 20.576 -15.938 861 HA ASP 115 HA ASP 115 18.915 22.470 -15.844 862 1HB ASP 115 HB2 ASP 115 20.218 20.358 -15.852 863 2HB ASP 115 HB3 ASP 115 19.382 19.846 -17.320 864 H TYR 116 H TYR 116 16.951 20.325 -18.045 865 HA TYR 116 HA TYR 116 16.216 22.631 -19.673 866 1HB TYR 116 HB2 TYR 116 18.572 21.781 -20.376 867 2HB TYR 116 HB3 TYR 116 17.741 20.366 -20.993 868 HD1 TYR 116 HD1 TYR 116 16.698 20.476 -23.137 869 HD2 TYR 116 HD2 TYR 116 17.926 24.112 -21.196 870 HE1 TYR 116 HE1 TYR 116 16.231 21.741 -25.235 871 HE2 TYR 116 HE2 TYR 116 17.491 25.384 -23.274 872 HH TYR 116 HH TYR 116 16.768 25.284 -25.489 873 H GLU 117 H GLU 117 14.936 21.720 -21.674 874 HA GLU 117 HA GLU 117 12.820 19.997 -20.729 875 1HB GLU 117 HB2 GLU 117 12.483 21.918 -22.240 876 2HB GLU 117 HB3 GLU 117 13.377 21.088 -23.527 877 1HG GLU 117 HG2 GLU 117 11.647 19.394 -23.692 878 2HG GLU 117 HG3 GLU 117 10.887 19.995 -22.204 879 H VAL 118 H VAL 118 12.115 18.048 -22.016 880 HA VAL 118 HA VAL 118 14.324 16.359 -22.924 881 HB VAL 118 HB VAL 118 14.354 16.276 -20.497 882 1HG1 VAL 118 HG11 VAL 118 12.223 16.931 -19.771 883 2HG1 VAL 118 HG12 VAL 118 11.402 15.624 -20.657 884 3HG1 VAL 118 HG13 VAL 118 12.401 15.255 -19.251 885 1HG2 VAL 118 HG21 VAL 118 14.290 13.941 -20.093 886 2HG2 VAL 118 HG22 VAL 118 13.129 13.659 -21.397 887 3HG2 VAL 118 HG23 VAL 118 14.788 14.149 -21.777 888 H THR 119 H THR 119 13.460 14.242 -23.749 889 HA THR 119 HA THR 119 10.585 14.089 -24.383 890 HB THR 119 HB THR 119 11.322 13.452 -26.770 891 HG1 THR 119 HG1 THR 119 13.663 14.792 -25.873 892 1HG2 THR 119 HG21 THR 119 11.595 16.360 -25.931 893 2HG2 THR 119 HG22 THR 119 11.314 15.759 -27.583 894 3HG2 THR 119 HG23 THR 119 10.093 15.500 -26.324 895 H TRP 120 H TRP 120 10.306 11.760 -25.570 896 HA TRP 120 HA TRP 120 12.369 9.885 -24.746 897 1HB TRP 120 HB2 TRP 120 11.024 8.429 -23.457 898 2HB TRP 120 HB3 TRP 120 10.840 10.009 -22.732 899 HD1 TRP 120 HD1 TRP 120 8.372 11.244 -23.685 900 HE1 TRP 120 HE1 TRP 120 6.060 10.169 -23.612 901 HE3 TRP 120 HE3 TRP 120 9.792 6.336 -23.794 902 HZ2 TRP 120 HZ2 TRP 120 4.950 7.486 -23.593 903 HZ3 TRP 120 HZ3 TRP 120 8.094 4.543 -23.646 904 HH2 TRP 120 HH2 TRP 120 5.672 5.099 -23.571 905 H ALA 121 H ALA 121 11.882 7.663 -25.519 906 HA ALA 121 HA ALA 121 9.745 7.369 -27.459 907 1HB ALA 121 HB1 ALA 121 11.583 8.183 -28.931 908 2HB ALA 121 HB2 ALA 121 12.674 6.941 -28.268 909 3HB ALA 121 HB3 ALA 121 11.261 6.465 -29.231 910 H ASN 122 H ASN 122 9.151 5.191 -27.591 911 HA ASN 122 HA ASN 122 10.211 3.448 -25.469 912 1HB ASN 122 HB2 ASN 122 7.751 3.870 -25.792 913 2HB ASN 122 HB3 ASN 122 7.854 3.060 -27.354 914 1HD2 ASN 122 HD22 ASN 122 6.478 1.279 -26.769 915 2HD2 ASN 122 HD21 ASN 122 6.947 0.092 -25.582 916 H ASP 123 H ASP 123 12.170 3.773 -27.306 917 HA ASP 123 HA ASP 123 12.472 1.246 -28.731 918 1HB ASP 123 HB2 ASP 123 11.097 2.886 -30.229 919 2HB ASP 123 HB3 ASP 123 12.591 3.805 -30.369 920 H GLY 124 H GLY 124 14.743 2.093 -30.288 921 1HA GLY 124 HA2 GLY 124 16.907 2.867 -30.130 922 2HA GLY 124 HA3 GLY 124 16.553 3.612 -28.571 923 H TYR 125 H TYR 125 18.832 2.650 -28.345 924 HA TYR 125 HA TYR 125 18.747 0.086 -26.917 925 1HB TYR 125 HB2 TYR 125 20.739 0.760 -29.136 926 2HB TYR 125 HB3 TYR 125 20.866 -0.591 -28.027 927 HD1 TYR 125 HD1 TYR 125 19.122 0.729 -31.007 928 HD2 TYR 125 HD2 TYR 125 19.445 -2.583 -28.263 929 HE1 TYR 125 HE1 TYR 125 17.816 -0.687 -32.569 930 HE2 TYR 125 HE2 TYR 125 18.143 -4.006 -29.808 931 HH TYR 125 HH TYR 125 17.020 -4.121 -31.850 Start of MODEL 11 1 1H MET 1 H1 MET 1 12.067 9.271 18.264 2 2H MET 1 H2 MET 1 12.314 7.666 18.516 3 3H MET 1 H3 MET 1 13.330 8.518 17.552 4 HA MET 1 HA MET 1 11.898 7.184 16.211 5 1HB MET 1 HB2 MET 1 10.020 7.088 17.835 6 2HB MET 1 HB3 MET 1 9.634 8.779 17.499 7 1HG MET 1 HG2 MET 1 8.156 7.220 16.307 8 2HG MET 1 HG3 MET 1 9.058 8.234 15.191 9 1HE MET 1 HE1 MET 1 7.446 5.680 14.244 10 2HE MET 1 HE2 MET 1 8.398 6.722 13.162 11 3HE MET 1 HE3 MET 1 8.613 4.960 13.114 12 H ALA 2 H ALA 2 11.492 7.892 14.086 13 HA ALA 2 HA ALA 2 11.148 10.721 13.479 14 1HB ALA 2 HB1 ALA 2 13.526 9.115 12.410 15 2HB ALA 2 HB2 ALA 2 13.033 10.732 11.863 16 3HB ALA 2 HB3 ALA 2 13.631 10.506 13.516 17 H VAL 3 H VAL 3 10.640 10.869 11.060 18 HA VAL 3 HA VAL 3 9.903 8.441 9.676 19 HB VAL 3 HB VAL 3 8.078 8.737 11.366 20 1HG1 VAL 3 HG11 VAL 3 8.016 11.198 11.516 21 2HG1 VAL 3 HG12 VAL 3 7.355 11.283 9.869 22 3HG1 VAL 3 HG13 VAL 3 6.426 10.508 11.167 23 1HG2 VAL 3 HG21 VAL 3 6.983 9.108 8.571 24 2HG2 VAL 3 HG22 VAL 3 7.654 7.585 9.205 25 3HG2 VAL 3 HG23 VAL 3 6.223 8.314 9.948 26 H ALA 4 H ALA 4 8.790 9.181 7.518 27 HA ALA 4 HA ALA 4 9.333 11.905 6.669 28 1HB ALA 4 HB1 ALA 4 11.503 10.701 6.181 29 2HB ALA 4 HB2 ALA 4 10.601 9.577 5.141 30 3HB ALA 4 HB3 ALA 4 10.678 11.296 4.733 31 H ASP 5 H ASP 5 8.668 11.629 3.994 32 HA ASP 5 HA ASP 5 6.216 9.996 3.837 33 1HB ASP 5 HB2 ASP 5 5.454 12.112 4.853 34 2HB ASP 5 HB3 ASP 5 6.261 13.034 3.583 35 H LEU 6 H LEU 6 5.551 9.722 1.654 36 HA LEU 6 HA LEU 6 7.591 9.362 -0.212 37 1HB LEU 6 HB2 LEU 6 4.572 9.645 -0.506 38 2HB LEU 6 HB3 LEU 6 5.625 9.229 -1.834 39 HG LEU 6 HG LEU 6 5.273 7.553 0.672 40 1HD1 LEU 6 HD11 LEU 6 4.158 5.974 -0.978 41 2HD1 LEU 6 HD12 LEU 6 3.267 7.473 -0.644 42 3HD1 LEU 6 HD13 LEU 6 4.163 7.288 -2.155 43 1HD2 LEU 6 HD21 LEU 6 7.497 7.140 -0.186 44 2HD2 LEU 6 HD22 LEU 6 6.477 5.788 -0.646 45 3HD2 LEU 6 HD23 LEU 6 6.892 7.003 -1.855 46 H ALA 7 H ALA 7 5.607 12.307 0.272 47 HA ALA 7 HA ALA 7 6.368 13.476 -2.231 48 1HB ALA 7 HB1 ALA 7 5.295 14.777 0.306 49 2HB ALA 7 HB2 ALA 7 5.350 15.512 -1.307 50 3HB ALA 7 HB3 ALA 7 4.307 14.106 -1.016 51 H LEU 8 H LEU 8 7.929 13.212 0.902 52 HA LEU 8 HA LEU 8 9.649 15.579 0.522 53 1HB LEU 8 HB2 LEU 8 9.638 13.423 2.676 54 2HB LEU 8 HB3 LEU 8 10.631 14.872 2.685 55 HG LEU 8 HG LEU 8 7.584 14.850 2.804 56 1HD1 LEU 8 HD11 LEU 8 9.652 15.400 4.974 57 2HD1 LEU 8 HD12 LEU 8 7.887 15.535 5.147 58 3HD1 LEU 8 HD13 LEU 8 8.623 13.956 4.851 59 1HD2 LEU 8 HD21 LEU 8 7.825 17.254 3.408 60 2HD2 LEU 8 HD22 LEU 8 9.565 17.158 3.053 61 3HD2 LEU 8 HD23 LEU 8 8.364 16.924 1.762 62 H ILE 9 H ILE 9 9.711 12.153 -0.153 63 HA ILE 9 HA ILE 9 12.480 11.651 -0.163 64 HB ILE 9 HB ILE 9 10.191 10.514 -1.807 65 1HG1 ILE 9 HG12 ILE 9 11.726 9.535 0.650 66 2HG1 ILE 9 HG13 ILE 9 10.079 10.175 0.639 67 1HG2 ILE 9 HG21 ILE 9 12.274 10.120 -3.067 68 2HG2 ILE 9 HG22 ILE 9 13.033 9.457 -1.609 69 3HG2 ILE 9 HG23 ILE 9 11.674 8.619 -2.386 70 1HD1 ILE 9 HD11 ILE 9 11.053 7.533 -0.407 71 2HD1 ILE 9 HD12 ILE 9 9.805 7.869 0.800 72 3HD1 ILE 9 HD13 ILE 9 9.484 8.221 -0.917 73 HA PRO 10 HA PRO 10 13.837 14.381 -3.547 74 1HB PRO 10 HB2 PRO 10 15.915 12.203 -3.854 75 2HB PRO 10 HB3 PRO 10 16.132 13.980 -3.859 76 1HG PRO 10 HG2 PRO 10 16.730 12.528 -1.646 77 2HG PRO 10 HG3 PRO 10 15.863 14.092 -1.490 78 1HD PRO 10 HD2 PRO 10 14.714 11.294 -1.418 79 2HD PRO 10 HD3 PRO 10 14.350 12.703 -0.371 80 H ASP 11 H ASP 11 12.727 14.357 -5.449 81 HA ASP 11 HA ASP 11 11.654 11.828 -6.377 82 1HB ASP 11 HB2 ASP 11 10.469 14.098 -6.070 83 2HB ASP 11 HB3 ASP 11 11.175 14.535 -7.631 84 H VAL 12 H VAL 12 13.844 14.309 -7.753 85 HA VAL 12 HA VAL 12 14.625 12.443 -9.933 86 HB VAL 12 HB VAL 12 13.919 15.395 -10.263 87 1HG1 VAL 12 HG11 VAL 12 14.298 15.034 -12.660 88 2HG1 VAL 12 HG12 VAL 12 15.773 14.713 -11.758 89 3HG1 VAL 12 HG13 VAL 12 14.796 13.352 -12.357 90 1HG2 VAL 12 HG21 VAL 12 11.850 14.097 -10.128 91 2HG2 VAL 12 HG22 VAL 12 12.130 14.611 -11.788 92 3HG2 VAL 12 HG23 VAL 12 12.468 12.929 -11.313 93 H ASP 13 H ASP 13 16.828 12.419 -10.196 94 HA ASP 13 HA ASP 13 18.430 14.768 -9.721 95 1HB ASP 13 HB2 ASP 13 18.325 13.717 -7.409 96 2HB ASP 13 HB3 ASP 13 19.118 12.296 -8.073 97 H ILE 14 H ILE 14 19.676 14.712 -11.554 98 HA ILE 14 HA ILE 14 20.621 12.155 -12.633 99 HB ILE 14 HB ILE 14 19.944 12.840 -14.929 100 1HG1 ILE 14 HG12 ILE 14 17.986 14.781 -13.616 101 2HG1 ILE 14 HG13 ILE 14 19.489 15.279 -14.403 102 1HG2 ILE 14 HG21 ILE 14 17.707 11.910 -14.805 103 2HG2 ILE 14 HG22 ILE 14 18.716 11.124 -13.593 104 3HG2 ILE 14 HG23 ILE 14 17.555 12.369 -13.096 105 1HD1 ILE 14 HD11 ILE 14 17.654 15.583 -15.937 106 2HD1 ILE 14 HD12 ILE 14 18.690 14.274 -16.541 107 3HD1 ILE 14 HD13 ILE 14 17.138 13.902 -15.751 108 H ASP 15 H ASP 15 22.450 12.433 -14.040 109 HA ASP 15 HA ASP 15 23.834 15.069 -13.727 110 1HB ASP 15 HB2 ASP 15 24.636 13.553 -12.025 111 2HB ASP 15 HB3 ASP 15 24.918 12.287 -13.231 112 H SER 16 H SER 16 23.422 15.702 -15.818 113 HA SER 16 HA SER 16 23.796 14.266 -18.169 114 1HB SER 16 HB2 SER 16 24.350 17.225 -17.752 115 2HB SER 16 HB3 SER 16 23.768 16.429 -19.225 116 HG SER 16 HG SER 16 22.103 17.483 -18.010 117 H ASP 17 H ASP 17 25.499 14.218 -19.695 118 HA ASP 17 HA ASP 17 28.157 15.261 -19.081 119 1HB ASP 17 HB2 ASP 17 28.221 13.189 -17.754 120 2HB ASP 17 HB3 ASP 17 27.674 12.247 -19.140 121 H GLY 18 H GLY 18 26.222 12.954 -21.027 122 1HA GLY 18 HA2 GLY 18 26.327 14.261 -23.477 123 2HA GLY 18 HA3 GLY 18 27.736 13.176 -23.446 124 H VAL 19 H VAL 19 26.905 11.009 -22.056 125 HA VAL 19 HA VAL 19 24.218 10.137 -22.734 126 HB VAL 19 HB VAL 19 26.673 8.527 -23.596 127 1HG1 VAL 19 HG11 VAL 19 24.874 7.065 -22.799 128 2HG1 VAL 19 HG12 VAL 19 23.694 7.914 -23.825 129 3HG1 VAL 19 HG13 VAL 19 24.998 6.958 -24.556 130 1HG2 VAL 19 HG21 VAL 19 26.303 10.243 -25.285 131 2HG2 VAL 19 HG22 VAL 19 25.760 8.694 -25.914 132 3HG2 VAL 19 HG23 VAL 19 24.561 9.868 -25.336 133 H PHE 20 H PHE 20 23.523 8.750 -21.017 134 HA PHE 20 HA PHE 20 25.428 7.443 -19.258 135 1HB PHE 20 HB2 PHE 20 24.660 8.512 -17.203 136 2HB PHE 20 HB3 PHE 20 25.496 9.644 -18.233 137 HD1 PHE 20 HD1 PHE 20 24.114 11.357 -19.594 138 HD2 PHE 20 HD2 PHE 20 22.445 8.962 -16.429 139 HE1 PHE 20 HE1 PHE 20 22.255 12.983 -19.336 140 HE2 PHE 20 HE2 PHE 20 20.621 10.619 -16.135 141 HZ PHE 20 HZ PHE 20 20.541 12.645 -17.572 142 H LYS 21 H LYS 21 24.090 6.209 -17.470 143 HA LYS 21 HA LYS 21 21.654 5.165 -18.850 144 1HB LYS 21 HB2 LYS 21 22.990 3.837 -16.485 145 2HB LYS 21 HB3 LYS 21 21.934 3.136 -17.702 146 1HG LYS 21 HG2 LYS 21 24.845 3.936 -18.045 147 2HG LYS 21 HG3 LYS 21 24.182 2.308 -17.904 148 1HD LYS 21 HD2 LYS 21 23.103 2.459 -20.081 149 2HD LYS 21 HD3 LYS 21 23.511 4.177 -20.207 150 1HE LYS 21 HE2 LYS 21 25.111 2.969 -21.554 151 2HE LYS 21 HE3 LYS 21 25.929 3.635 -20.140 152 1HZ LYS 21 HZ1 LYS 21 26.715 1.486 -20.305 153 2HZ LYS 21 HZ2 LYS 21 25.644 1.351 -19.125 154 3HZ LYS 21 HZ3 LYS 21 25.240 0.811 -20.637 155 H TYR 22 H TYR 22 19.789 4.618 -17.462 156 HA TYR 22 HA TYR 22 19.685 6.018 -14.871 157 1HB TYR 22 HB2 TYR 22 18.447 7.731 -15.580 158 2HB TYR 22 HB3 TYR 22 18.831 7.281 -17.214 159 HD1 TYR 22 HD1 TYR 22 17.275 5.517 -18.349 160 HD2 TYR 22 HD2 TYR 22 16.233 7.711 -14.794 161 HE1 TYR 22 HE1 TYR 22 14.903 4.876 -18.656 162 HE2 TYR 22 HE2 TYR 22 13.855 7.123 -15.123 163 HH TYR 22 HH TYR 22 12.321 6.316 -16.660 164 H VAL 23 H VAL 23 17.487 5.592 -13.816 165 HA VAL 23 HA VAL 23 16.192 3.104 -14.628 166 HB VAL 23 HB VAL 23 18.184 2.518 -13.168 167 1HG1 VAL 23 HG11 VAL 23 18.071 4.394 -11.563 168 2HG1 VAL 23 HG12 VAL 23 16.543 3.782 -10.936 169 3HG1 VAL 23 HG13 VAL 23 18.016 2.818 -10.744 170 1HG2 VAL 23 HG21 VAL 23 16.352 0.954 -13.465 171 2HG2 VAL 23 HG22 VAL 23 17.030 0.852 -11.837 172 3HG2 VAL 23 HG23 VAL 23 15.475 1.672 -12.095 173 H LEU 24 H LEU 24 14.121 2.854 -13.604 174 HA LEU 24 HA LEU 24 12.978 5.316 -12.367 175 1HB LEU 24 HB2 LEU 24 12.193 4.933 -14.689 176 2HB LEU 24 HB3 LEU 24 11.735 3.286 -14.272 177 HG LEU 24 HG LEU 24 9.983 4.207 -12.685 178 1HD1 LEU 24 HD11 LEU 24 10.828 6.875 -13.873 179 2HD1 LEU 24 HD12 LEU 24 9.386 6.586 -12.897 180 3HD1 LEU 24 HD13 LEU 24 10.981 6.394 -12.169 181 1HD2 LEU 24 HD21 LEU 24 8.457 4.959 -14.441 182 2HD2 LEU 24 HD22 LEU 24 9.825 5.208 -15.554 183 3HD2 LEU 24 HD23 LEU 24 9.410 3.572 -14.979 184 H ILE 25 H ILE 25 12.509 4.771 -10.170 185 HA ILE 25 HA ILE 25 11.809 1.924 -9.683 186 HB ILE 25 HB ILE 25 13.369 1.530 -8.302 187 1HG1 ILE 25 HG12 ILE 25 13.313 4.209 -6.900 188 2HG1 ILE 25 HG13 ILE 25 12.261 2.854 -6.488 189 1HG2 ILE 25 HG21 ILE 25 15.513 2.639 -8.422 190 2HG2 ILE 25 HG22 ILE 25 14.747 2.699 -10.001 191 3HG2 ILE 25 HG23 ILE 25 14.753 4.148 -8.948 192 1HD1 ILE 25 HD11 ILE 25 14.110 2.866 -4.970 193 2HD1 ILE 25 HD12 ILE 25 14.221 1.435 -6.019 194 3HD1 ILE 25 HD13 ILE 25 15.283 2.831 -6.291 195 H ARG 26 H ARG 26 10.152 1.455 -8.479 196 HA ARG 26 HA ARG 26 8.301 3.570 -7.580 197 1HB ARG 26 HB2 ARG 26 7.467 1.574 -8.727 198 2HB ARG 26 HB3 ARG 26 8.220 0.508 -7.549 199 1HG ARG 26 HG2 ARG 26 6.697 1.053 -5.845 200 2HG ARG 26 HG3 ARG 26 6.233 2.587 -6.591 201 1HD ARG 26 HD2 ARG 26 5.565 -0.121 -7.810 202 2HD ARG 26 HD3 ARG 26 4.480 0.774 -6.721 203 HE ARG 26 HE ARG 26 5.184 2.640 -8.611 204 1HH1 ARG 26 HH21 ARG 26 3.553 -0.518 -8.798 205 2HH1 ARG 26 HH22 ARG 26 2.694 -0.137 -10.243 206 1HH2 ARG 26 HH11 ARG 26 4.110 3.143 -10.510 207 2HH2 ARG 26 HH12 ARG 26 2.995 2.021 -11.234 208 H VAL 27 H VAL 27 7.893 3.958 -5.401 209 HA VAL 27 HA VAL 27 9.572 2.606 -3.341 210 HB VAL 27 HB VAL 27 8.903 5.578 -3.638 211 1HG1 VAL 27 HG11 VAL 27 10.734 4.158 -1.670 212 2HG1 VAL 27 HG12 VAL 27 10.529 5.905 -1.828 213 3HG1 VAL 27 HG13 VAL 27 9.169 4.913 -1.294 214 1HG2 VAL 27 HG21 VAL 27 10.534 5.050 -5.359 215 2HG2 VAL 27 HG22 VAL 27 11.322 5.938 -4.060 216 3HG2 VAL 27 HG23 VAL 27 11.550 4.180 -4.187 217 H HIS 28 H HIS 28 8.286 1.870 -1.678 218 HA HIS 28 HA HIS 28 5.404 2.543 -1.677 219 1HB HIS 28 HB2 HIS 28 6.973 0.488 -0.081 220 2HB HIS 28 HB3 HIS 28 5.219 0.618 -0.192 221 HD1 HIS 28 HD1 HIS 28 4.629 0.632 -3.234 222 HD2 HIS 28 HD2 HIS 28 7.731 -1.579 -1.449 223 HE1 HIS 28 HE1 HIS 28 5.185 -1.256 -4.843 224 H SER 29 H SER 29 4.304 3.186 0.270 225 HA SER 29 HA SER 29 5.600 5.299 1.629 226 1HB SER 29 HB2 SER 29 3.308 5.548 2.662 227 2HB SER 29 HB3 SER 29 3.302 5.436 0.905 228 HG SER 29 HG SER 29 2.822 3.291 2.689 229 H ALA 30 H ALA 30 7.084 3.078 2.494 230 HA ALA 30 HA ALA 30 6.164 2.605 5.283 231 1HB ALA 30 HB1 ALA 30 6.539 0.639 3.852 232 2HB ALA 30 HB2 ALA 30 8.247 1.098 3.672 233 3HB ALA 30 HB3 ALA 30 7.602 0.661 5.265 234 HA PRO 31 HA PRO 31 10.363 5.167 5.496 235 1HB PRO 31 HB2 PRO 31 8.447 7.337 6.368 236 2HB PRO 31 HB3 PRO 31 10.123 7.484 5.743 237 1HG PRO 31 HG2 PRO 31 8.007 7.871 4.084 238 2HG PRO 31 HG3 PRO 31 9.419 6.920 3.532 239 1HD PRO 31 HD2 PRO 31 6.751 5.930 4.555 240 2HD PRO 31 HD3 PRO 31 7.751 5.343 3.185 241 H ARG 32 H ARG 32 11.304 4.723 7.330 242 HA ARG 32 HA ARG 32 11.614 3.543 9.250 243 1HB ARG 32 HB2 ARG 32 10.242 6.032 10.312 244 2HB ARG 32 HB3 ARG 32 11.368 5.018 11.205 245 1HG ARG 32 HG2 ARG 32 12.005 6.763 8.792 246 2HG ARG 32 HG3 ARG 32 12.498 7.032 10.452 247 1HD ARG 32 HD2 ARG 32 13.446 4.739 8.679 248 2HD ARG 32 HD3 ARG 32 14.352 6.200 9.078 249 HE ARG 32 HE ARG 32 13.591 4.988 11.505 250 1HH1 ARG 32 HH21 ARG 32 15.804 4.312 8.766 251 2HH1 ARG 32 HH22 ARG 32 16.853 3.335 9.720 252 1HH2 ARG 32 HH11 ARG 32 15.022 3.684 12.731 253 2HH2 ARG 32 HH12 ARG 32 16.415 2.985 12.004 254 H SER 33 H SER 33 9.077 2.659 8.039 255 HA SER 33 HA SER 33 7.137 1.639 8.463 256 1HB SER 33 HB2 SER 33 8.472 0.738 11.043 257 2HB SER 33 HB3 SER 33 7.158 -0.075 10.176 258 HG SER 33 HG SER 33 9.212 -0.992 9.724 259 H GLY 34 H GLY 34 7.245 4.436 9.316 260 1HA GLY 34 HA2 GLY 34 6.042 4.672 11.937 261 2HA GLY 34 HA3 GLY 34 6.413 5.963 10.788 262 H ALA 35 H ALA 35 4.631 3.964 8.895 263 HA ALA 35 HA ALA 35 1.965 4.629 9.914 264 1HB ALA 35 HB1 ALA 35 2.606 6.622 8.573 265 2HB ALA 35 HB2 ALA 35 2.985 5.574 7.189 266 3HB ALA 35 HB3 ALA 35 1.311 5.703 7.775 267 HA PRO 36 HA PRO 36 1.552 0.668 7.879 268 1HB PRO 36 HB2 PRO 36 -1.069 0.084 8.348 269 2HB PRO 36 HB3 PRO 36 0.062 0.350 9.708 270 1HG PRO 36 HG2 PRO 36 -1.810 2.387 8.433 271 2HG PRO 36 HG3 PRO 36 -1.669 1.961 10.171 272 1HD PRO 36 HD2 PRO 36 -0.331 4.084 9.061 273 2HD PRO 36 HD3 PRO 36 0.366 3.104 10.386 274 H ALA 37 H ALA 37 0.816 3.348 6.330 275 HA ALA 37 HA ALA 37 -1.096 2.781 4.336 276 1HB ALA 37 HB1 ALA 37 -0.194 5.000 4.867 277 2HB ALA 37 HB2 ALA 37 1.432 4.478 4.373 278 3HB ALA 37 HB3 ALA 37 0.135 4.624 3.157 279 H ALA 38 H ALA 38 -0.717 2.342 2.061 280 HA ALA 38 HA ALA 38 1.823 1.113 1.258 281 1HB ALA 38 HB1 ALA 38 0.429 -0.814 1.995 282 2HB ALA 38 HB2 ALA 38 -0.849 -0.308 0.860 283 3HB ALA 38 HB3 ALA 38 0.738 -0.834 0.250 284 H GLU 39 H GLU 39 1.057 3.609 0.767 285 HA GLU 39 HA GLU 39 -0.072 3.804 -1.951 286 1HB GLU 39 HB2 GLU 39 1.208 5.885 -0.106 287 2HB GLU 39 HB3 GLU 39 0.509 6.228 -1.686 288 1HG GLU 39 HG2 GLU 39 -0.982 5.254 0.788 289 2HG GLU 39 HG3 GLU 39 -1.024 6.869 0.102 290 H SER 40 H SER 40 1.520 5.004 -3.567 291 HA SER 40 HA SER 40 4.334 4.576 -3.034 292 1HB SER 40 HB2 SER 40 3.057 3.047 -5.339 293 2HB SER 40 HB3 SER 40 4.763 3.046 -4.875 294 HG SER 40 HG SER 40 3.262 2.417 -2.756 295 H LYS 41 H LYS 41 5.688 5.331 -4.793 296 HA LYS 41 HA LYS 41 4.561 6.748 -7.030 297 1HB LYS 41 HB2 LYS 41 5.701 8.948 -6.501 298 2HB LYS 41 HB3 LYS 41 4.245 8.583 -5.609 299 1HG LYS 41 HG2 LYS 41 5.647 9.577 -4.060 300 2HG LYS 41 HG3 LYS 41 5.627 7.877 -3.658 301 1HD LYS 41 HD2 LYS 41 7.828 8.717 -3.290 302 2HD LYS 41 HD3 LYS 41 7.888 7.600 -4.636 303 1HE LYS 41 HE2 LYS 41 9.283 9.533 -5.056 304 2HE LYS 41 HE3 LYS 41 7.974 9.493 -6.232 305 1HZ LYS 41 HZ1 LYS 41 8.330 11.694 -5.403 306 2HZ LYS 41 HZ2 LYS 41 6.860 11.214 -4.887 307 3HZ LYS 41 HZ3 LYS 41 8.101 11.235 -3.815 308 H GLU 42 H GLU 42 6.408 7.663 -8.381 309 HA GLU 42 HA GLU 42 8.631 5.692 -8.246 310 1HB GLU 42 HB2 GLU 42 7.162 7.089 -10.507 311 2HB GLU 42 HB3 GLU 42 8.810 6.515 -10.720 312 1HG GLU 42 HG2 GLU 42 7.396 4.855 -11.585 313 2HG GLU 42 HG3 GLU 42 8.140 4.220 -10.123 314 H ILE 43 H ILE 43 10.754 6.403 -8.672 315 HA ILE 43 HA ILE 43 11.243 9.328 -8.783 316 HB ILE 43 HB ILE 43 13.162 9.052 -7.290 317 1HG1 ILE 43 HG12 ILE 43 12.108 6.269 -6.662 318 2HG1 ILE 43 HG13 ILE 43 13.540 6.592 -7.638 319 1HG2 ILE 43 HG21 ILE 43 10.656 8.092 -5.876 320 2HG2 ILE 43 HG22 ILE 43 11.935 9.161 -5.252 321 3HG2 ILE 43 HG23 ILE 43 10.849 9.742 -6.518 322 1HD1 ILE 43 HD11 ILE 43 13.245 7.393 -4.713 323 2HD1 ILE 43 HD12 ILE 43 14.108 5.988 -5.336 324 3HD1 ILE 43 HD13 ILE 43 14.679 7.621 -5.745 325 H VAL 44 H VAL 44 13.265 9.887 -9.695 326 HA VAL 44 HA VAL 44 14.119 7.971 -11.828 327 HB VAL 44 HB VAL 44 13.797 11.011 -11.850 328 1HG1 VAL 44 HG11 VAL 44 15.493 10.252 -13.469 329 2HG1 VAL 44 HG12 VAL 44 14.326 9.102 -14.154 330 3HG1 VAL 44 HG13 VAL 44 14.046 10.846 -14.287 331 1HG2 VAL 44 HG21 VAL 44 11.865 10.656 -13.338 332 2HG2 VAL 44 HG22 VAL 44 11.968 8.900 -13.055 333 3HG2 VAL 44 HG23 VAL 44 11.568 10.015 -11.731 334 H ARG 45 H ARG 45 16.292 7.478 -11.737 335 HA ARG 45 HA ARG 45 18.180 9.602 -10.856 336 1HB ARG 45 HB2 ARG 45 18.342 6.638 -10.120 337 2HB ARG 45 HB3 ARG 45 19.723 7.707 -10.136 338 1HG ARG 45 HG2 ARG 45 17.498 7.636 -8.139 339 2HG ARG 45 HG3 ARG 45 19.249 7.483 -7.956 340 1HD ARG 45 HD2 ARG 45 19.107 9.541 -7.111 341 2HD ARG 45 HD3 ARG 45 19.235 10.006 -8.806 342 HE ARG 45 HE ARG 45 16.901 10.398 -8.891 343 1HH1 ARG 45 HH21 ARG 45 17.905 9.611 -5.561 344 2HH1 ARG 45 HH22 ARG 45 16.366 9.997 -4.883 345 1HH2 ARG 45 HH11 ARG 45 14.897 10.901 -7.980 346 2HH2 ARG 45 HH12 ARG 45 14.658 10.816 -6.265 347 H GLY 46 H GLY 46 20.168 9.560 -12.045 348 1HA GLY 46 HA2 GLY 46 20.883 7.348 -13.682 349 2HA GLY 46 HA3 GLY 46 20.243 8.657 -14.695 350 H TYR 47 H TYR 47 23.049 7.428 -14.027 351 HA TYR 47 HA TYR 47 24.526 9.969 -13.948 352 1HB TYR 47 HB2 TYR 47 25.081 7.739 -11.937 353 2HB TYR 47 HB3 TYR 47 25.956 9.247 -12.112 354 HD1 TYR 47 HD1 TYR 47 25.089 11.337 -11.157 355 HD2 TYR 47 HD2 TYR 47 22.952 7.623 -10.771 356 HE1 TYR 47 HE1 TYR 47 23.712 12.333 -9.354 357 HE2 TYR 47 HE2 TYR 47 21.599 8.581 -8.928 358 HH TYR 47 HH TYR 47 21.270 10.435 -7.536 359 H LYS 48 H LYS 48 26.673 9.651 -14.847 360 HA LYS 48 HA LYS 48 27.007 7.312 -16.487 361 1HB LYS 48 HB2 LYS 48 29.206 8.221 -17.033 362 2HB LYS 48 HB3 LYS 48 27.927 9.419 -17.203 363 1HG LYS 48 HG2 LYS 48 28.591 10.475 -15.070 364 2HG LYS 48 HG3 LYS 48 29.854 9.248 -14.833 365 1HD LYS 48 HD2 LYS 48 31.019 9.981 -16.850 366 2HD LYS 48 HD3 LYS 48 29.709 11.115 -17.232 367 1HE LYS 48 HE2 LYS 48 30.166 12.370 -15.149 368 2HE LYS 48 HE3 LYS 48 31.470 11.244 -14.744 369 1HZ LYS 48 HZ1 LYS 48 32.652 11.984 -16.711 370 2HZ LYS 48 HZ2 LYS 48 31.421 12.972 -17.164 371 3HZ LYS 48 HZ3 LYS 48 32.278 13.283 -15.800 372 H TRP 49 H TRP 49 28.062 8.052 -13.150 373 HA TRP 49 HA TRP 49 30.025 5.979 -13.078 374 1HB TRP 49 HB2 TRP 49 29.839 6.121 -10.625 375 2HB TRP 49 HB3 TRP 49 30.188 7.628 -11.435 376 HD1 TRP 49 HD1 TRP 49 28.824 9.646 -10.757 377 HE1 TRP 49 HE1 TRP 49 26.812 10.112 -9.263 378 HE3 TRP 49 HE3 TRP 49 27.385 4.817 -9.790 379 HZ2 TRP 49 HZ2 TRP 49 24.756 8.591 -7.900 380 HZ3 TRP 49 HZ3 TRP 49 25.353 4.368 -8.477 381 HH2 TRP 49 HH2 TRP 49 24.005 6.229 -7.544 382 H ALA 50 H ALA 50 26.476 5.904 -12.607 383 HA ALA 50 HA ALA 50 26.545 3.025 -12.050 384 1HB ALA 50 HB1 ALA 50 24.138 3.150 -12.158 385 2HB ALA 50 HB2 ALA 50 24.784 4.306 -10.991 386 3HB ALA 50 HB3 ALA 50 24.201 4.885 -12.579 387 H GLU 51 H GLU 51 27.972 2.817 -13.975 388 HA GLU 51 HA GLU 51 27.078 3.241 -16.610 389 1HB GLU 51 HB2 GLU 51 29.411 2.661 -15.504 390 2HB GLU 51 HB3 GLU 51 28.989 0.999 -15.867 391 1HG GLU 51 HG2 GLU 51 28.998 3.263 -17.922 392 2HG GLU 51 HG3 GLU 51 30.438 2.342 -17.514 393 H TYR 52 H TYR 52 25.820 1.049 -14.350 394 HA TYR 52 HA TYR 52 24.235 -0.282 -16.416 395 1HB TYR 52 HB2 TYR 52 24.393 -2.343 -14.693 396 2HB TYR 52 HB3 TYR 52 25.388 -2.189 -16.127 397 HD1 TYR 52 HD1 TYR 52 25.426 -2.274 -12.464 398 HD2 TYR 52 HD2 TYR 52 27.722 -1.384 -15.996 399 HE1 TYR 52 HE1 TYR 52 27.508 -2.352 -11.119 400 HE2 TYR 52 HE2 TYR 52 29.817 -1.432 -14.668 401 HH TYR 52 HH TYR 52 30.754 -1.758 -12.550 402 H HIS 53 H HIS 53 22.149 -0.413 -15.789 403 HA HIS 53 HA HIS 53 21.107 1.369 -13.967 404 1HB HIS 53 HB2 HIS 53 19.545 -1.096 -14.744 405 2HB HIS 53 HB3 HIS 53 18.989 0.571 -14.617 406 HD1 HIS 53 HD1 HIS 53 19.406 2.101 -16.862 407 HD2 HIS 53 HD2 HIS 53 20.836 -1.862 -16.962 408 HE1 HIS 53 HE1 HIS 53 20.240 1.672 -19.248 409 H ALA 54 H ALA 54 21.920 -2.045 -13.419 410 HA ALA 54 HA ALA 54 20.536 -2.457 -10.992 411 1HB ALA 54 HB1 ALA 54 21.612 -4.267 -12.284 412 2HB ALA 54 HB2 ALA 54 23.219 -3.598 -11.896 413 3HB ALA 54 HB3 ALA 54 22.185 -4.246 -10.606 414 H ASP 55 H ASP 55 23.537 -0.638 -11.642 415 HA ASP 55 HA ASP 55 24.465 -0.698 -8.926 416 1HB ASP 55 HB2 ASP 55 25.788 -0.074 -11.079 417 2HB ASP 55 HB3 ASP 55 25.053 1.494 -10.939 418 H ILE 56 H ILE 56 22.434 1.611 -10.798 419 HA ILE 56 HA ILE 56 22.139 3.367 -8.508 420 HB ILE 56 HB ILE 56 19.973 4.011 -10.051 421 1HG1 ILE 56 HG12 ILE 56 21.987 2.926 -12.021 422 2HG1 ILE 56 HG13 ILE 56 20.245 2.703 -11.927 423 1HG2 ILE 56 HG21 ILE 56 21.459 5.461 -8.932 424 2HG2 ILE 56 HG22 ILE 56 22.756 5.153 -10.122 425 3HG2 ILE 56 HG23 ILE 56 21.252 5.986 -10.597 426 1HD1 ILE 56 HD11 ILE 56 20.802 4.109 -13.797 427 2HD1 ILE 56 HD12 ILE 56 19.990 5.127 -12.585 428 3HD1 ILE 56 HD13 ILE 56 21.759 5.200 -12.787 429 H TYR 57 H TYR 57 20.159 0.656 -9.905 430 HA TYR 57 HA TYR 57 17.971 1.097 -8.151 431 1HB TYR 57 HB2 TYR 57 17.769 -0.497 -9.959 432 2HB TYR 57 HB3 TYR 57 19.047 -1.507 -9.280 433 HD1 TYR 57 HD1 TYR 57 15.861 0.111 -7.989 434 HD2 TYR 57 HD2 TYR 57 18.292 -3.449 -8.202 435 HE1 TYR 57 HE1 TYR 57 14.281 -1.042 -6.502 436 HE2 TYR 57 HE2 TYR 57 16.681 -4.636 -6.750 437 HH TYR 57 HH TYR 57 13.787 -3.056 -5.326 438 H ASP 58 H ASP 58 21.014 -0.816 -7.618 439 HA ASP 58 HA ASP 58 20.359 -1.627 -4.981 440 1HB ASP 58 HB2 ASP 58 22.135 -2.689 -6.259 441 2HB ASP 58 HB3 ASP 58 23.059 -1.183 -6.305 442 H LYS 59 H LYS 59 22.312 1.199 -6.122 443 HA LYS 59 HA LYS 59 22.967 2.244 -3.588 444 1HB LYS 59 HB2 LYS 59 23.980 2.943 -5.698 445 2HB LYS 59 HB3 LYS 59 22.478 3.663 -6.252 446 1HG LYS 59 HG2 LYS 59 23.887 4.622 -3.735 447 2HG LYS 59 HG3 LYS 59 24.362 5.164 -5.349 448 1HD LYS 59 HD2 LYS 59 21.997 5.968 -5.718 449 2HD LYS 59 HD3 LYS 59 21.683 5.683 -4.003 450 1HE LYS 59 HE2 LYS 59 23.851 7.509 -5.132 451 2HE LYS 59 HE3 LYS 59 22.278 8.041 -4.534 452 1HZ LYS 59 HZ1 LYS 59 24.372 6.742 -2.886 453 2HZ LYS 59 HZ2 LYS 59 23.960 8.314 -2.853 454 3HZ LYS 59 HZ3 LYS 59 22.897 7.197 -2.336 455 H VAL 60 H VAL 60 20.158 3.016 -5.687 456 HA VAL 60 HA VAL 60 19.078 4.929 -3.867 457 HB VAL 60 HB VAL 60 17.861 3.465 -6.229 458 1HG1 VAL 60 HG11 VAL 60 16.851 5.905 -4.658 459 2HG1 VAL 60 HG12 VAL 60 16.133 5.246 -6.153 460 3HG1 VAL 60 HG13 VAL 60 16.087 4.320 -4.639 461 1HG2 VAL 60 HG21 VAL 60 18.249 5.487 -7.416 462 2HG2 VAL 60 HG22 VAL 60 18.861 6.321 -5.955 463 3HG2 VAL 60 HG23 VAL 60 19.792 5.018 -6.711 464 H SER 61 H SER 61 18.349 1.394 -4.418 465 HA SER 61 HA SER 61 16.252 1.283 -2.525 466 1HB SER 61 HB2 SER 61 18.265 -0.881 -3.261 467 2HB SER 61 HB3 SER 61 16.726 -1.124 -2.406 468 HG SER 61 HG SER 61 17.209 -0.294 -5.050 469 H GLY 62 H GLY 62 19.823 1.103 -2.027 470 1HA GLY 62 HA2 GLY 62 19.803 0.460 0.726 471 2HA GLY 62 HA3 GLY 62 21.039 1.413 -0.121 472 H ASP 63 H ASP 63 19.772 3.732 -0.869 473 HA ASP 63 HA ASP 63 19.621 5.148 1.597 474 1HB ASP 63 HB2 ASP 63 20.330 6.167 -0.561 475 2HB ASP 63 HB3 ASP 63 18.656 6.100 -1.123 476 H MET 64 H MET 64 17.027 4.182 -0.739 477 HA MET 64 HA MET 64 14.860 5.278 0.719 478 1HB MET 64 HB2 MET 64 14.967 2.777 -1.039 479 2HB MET 64 HB3 MET 64 13.506 3.575 -0.482 480 1HG MET 64 HG2 MET 64 15.544 4.884 -2.303 481 2HG MET 64 HG3 MET 64 14.024 4.167 -2.794 482 1HE MET 64 HE1 MET 64 15.684 6.932 -0.570 483 2HE MET 64 HE2 MET 64 15.761 7.335 -2.302 484 3HE MET 64 HE3 MET 64 14.797 8.330 -1.190 485 H GLN 65 H GLN 65 16.401 2.010 1.081 486 HA GLN 65 HA GLN 65 14.530 1.191 3.073 487 1HB GLN 65 HB2 GLN 65 17.273 0.281 2.158 488 2HB GLN 65 HB3 GLN 65 16.476 -0.511 3.526 489 1HG GLN 65 HG2 GLN 65 14.627 -1.233 2.165 490 2HG GLN 65 HG3 GLN 65 15.141 -0.232 0.809 491 1HE2 GLN 65 HE22 GLN 65 15.085 -2.196 -0.526 492 2HE2 GLN 65 HE21 GLN 65 16.400 -3.339 -0.450 493 H LYS 66 H LYS 66 17.635 2.993 3.286 494 HA LYS 66 HA LYS 66 17.804 2.943 6.161 495 1HB LYS 66 HB2 LYS 66 19.685 3.590 4.814 496 2HB LYS 66 HB3 LYS 66 18.753 4.813 3.981 497 1HG LYS 66 HG2 LYS 66 18.598 6.096 6.192 498 2HG LYS 66 HG3 LYS 66 19.727 4.901 6.851 499 1HD LYS 66 HD2 LYS 66 21.020 6.800 6.123 500 2HD LYS 66 HD3 LYS 66 21.309 5.488 4.960 501 1HE LYS 66 HE2 LYS 66 19.591 6.509 3.436 502 2HE LYS 66 HE3 LYS 66 19.368 7.828 4.583 503 1HZ LYS 66 HZ1 LYS 66 20.866 8.216 2.653 504 2HZ LYS 66 HZ2 LYS 66 21.541 8.600 4.113 505 3HZ LYS 66 HZ3 LYS 66 21.978 7.229 3.325 506 H GLN 67 H GLN 67 16.105 5.148 3.824 507 HA GLN 67 HA GLN 67 14.832 6.693 5.895 508 1HB GLN 67 HB2 GLN 67 13.908 6.203 3.030 509 2HB GLN 67 HB3 GLN 67 13.255 7.391 4.158 510 1HG GLN 67 HG2 GLN 67 15.615 8.380 4.320 511 2HG GLN 67 HG3 GLN 67 16.062 7.317 2.989 512 1HE2 GLN 67 HE21 GLN 67 16.320 8.643 1.178 513 2HE2 GLN 67 HE22 GLN 67 15.153 9.871 0.726 514 H GLY 68 H GLY 68 14.121 3.539 4.519 515 1HA GLY 68 HA2 GLY 68 13.216 2.002 6.230 516 2HA GLY 68 HA3 GLY 68 11.912 3.152 6.498 517 H CYS 69 H CYS 69 12.504 3.269 3.234 518 HA CYS 69 HA CYS 69 9.905 2.127 2.661 519 1HB CYS 69 HB2 CYS 69 12.113 3.461 1.057 520 2HB CYS 69 HB3 CYS 69 10.635 2.865 0.291 521 HG CYS 69 HG CYS 69 8.972 4.324 1.385 522 H ASP 70 H ASP 70 9.696 0.788 0.628 523 HA ASP 70 HA ASP 70 11.830 -1.203 0.180 524 1HB ASP 70 HB2 ASP 70 10.168 -2.382 1.534 525 2HB ASP 70 HB3 ASP 70 8.859 -1.788 0.508 526 H CYS 71 H CYS 71 11.994 -1.620 -2.108 527 HA CYS 71 HA CYS 71 10.362 0.141 -3.844 528 1HB CYS 71 HB2 CYS 71 13.415 0.220 -3.675 529 2HB CYS 71 HB3 CYS 71 12.377 1.226 -4.689 530 HG CYS 71 HG CYS 71 12.514 1.099 -1.407 531 H GLU 72 H GLU 72 10.849 -0.157 -6.184 532 HA GLU 72 HA GLU 72 12.286 -2.625 -6.942 533 1HB GLU 72 HB2 GLU 72 10.048 -3.409 -6.405 534 2HB GLU 72 HB3 GLU 72 9.304 -2.110 -7.351 535 1HG GLU 72 HG2 GLU 72 10.165 -3.007 -9.411 536 2HG GLU 72 HG3 GLU 72 11.178 -4.175 -8.553 537 H CYS 73 H CYS 73 13.385 -2.205 -8.830 538 HA CYS 73 HA CYS 73 13.060 0.240 -10.341 539 1HB CYS 73 HB2 CYS 73 14.537 -1.106 -11.986 540 2HB CYS 73 HB3 CYS 73 15.239 -0.621 -10.448 541 HG CYS 73 HG CYS 73 15.944 -3.096 -11.285 542 H LEU 74 H LEU 74 11.236 0.564 -11.553 543 HA LEU 74 HA LEU 74 9.525 -1.630 -12.445 544 1HB LEU 74 HB2 LEU 74 9.586 1.326 -13.203 545 2HB LEU 74 HB3 LEU 74 8.357 0.168 -13.700 546 HG LEU 74 HG LEU 74 8.896 1.151 -10.872 547 1HD1 LEU 74 HD11 LEU 74 7.654 2.667 -12.397 548 2HD1 LEU 74 HD12 LEU 74 6.460 1.389 -12.692 549 3HD1 LEU 74 HD13 LEU 74 6.639 2.078 -11.066 550 1HD2 LEU 74 HD21 LEU 74 6.865 -0.204 -10.232 551 2HD2 LEU 74 HD22 LEU 74 6.954 -1.010 -11.810 552 3HD2 LEU 74 HD23 LEU 74 8.274 -1.185 -10.627 553 H GLY 75 H GLY 75 12.244 0.212 -13.714 554 1HA GLY 75 HA2 GLY 75 13.102 -1.656 -15.549 555 2HA GLY 75 HA3 GLY 75 12.063 -0.550 -16.464 556 H GLY 76 H GLY 76 14.234 -0.043 -17.502 557 1HA GLY 76 HA2 GLY 76 15.008 2.541 -16.498 558 2HA GLY 76 HA3 GLY 76 16.352 1.390 -16.406 559 H GLY 77 H GLY 77 17.274 2.948 -18.015 560 1HA GLY 77 HA2 GLY 77 17.138 2.018 -20.706 561 2HA GLY 77 HA3 GLY 77 16.176 3.495 -20.523 562 H ARG 78 H ARG 78 17.796 4.422 -21.977 563 HA ARG 78 HA ARG 78 20.288 5.271 -20.580 564 1HB ARG 78 HB2 ARG 78 20.734 3.586 -22.342 565 2HB ARG 78 HB3 ARG 78 19.951 4.623 -23.546 566 1HG ARG 78 HG2 ARG 78 21.705 6.303 -23.319 567 2HG ARG 78 HG3 ARG 78 22.342 5.496 -21.882 568 1HD ARG 78 HD2 ARG 78 23.834 4.942 -23.585 569 2HD ARG 78 HD3 ARG 78 22.887 3.483 -23.311 570 HE ARG 78 HE ARG 78 21.491 4.291 -25.343 571 1HH1 ARG 78 HH21 ARG 78 25.038 4.587 -25.085 572 2HH1 ARG 78 HH22 ARG 78 25.267 4.678 -26.790 573 1HH2 ARG 78 HH11 ARG 78 21.793 4.401 -27.540 574 2HH2 ARG 78 HH12 ARG 78 23.383 4.580 -28.224 575 H ILE 79 H ILE 79 20.909 7.447 -21.042 576 HA ILE 79 HA ILE 79 18.773 9.162 -22.167 577 HB ILE 79 HB ILE 79 20.254 9.462 -19.516 578 1HG1 ILE 79 HG12 ILE 79 17.335 9.106 -20.286 579 2HG1 ILE 79 HG13 ILE 79 18.324 8.000 -19.350 580 1HG2 ILE 79 HG21 ILE 79 20.136 11.661 -20.703 581 2HG2 ILE 79 HG22 ILE 79 18.378 11.455 -20.895 582 3HG2 ILE 79 HG23 ILE 79 19.104 11.656 -19.293 583 1HD1 ILE 79 HD11 ILE 79 18.433 9.730 -17.513 584 2HD1 ILE 79 HD12 ILE 79 17.263 10.707 -18.436 585 3HD1 ILE 79 HD13 ILE 79 16.800 9.113 -17.858 586 H SER 80 H SER 80 19.557 10.818 -23.384 587 HA SER 80 HA SER 80 22.501 11.004 -23.784 588 1HB SER 80 HB2 SER 80 20.384 10.497 -25.919 589 2HB SER 80 HB3 SER 80 22.106 10.799 -26.219 590 HG SER 80 HG SER 80 21.450 8.556 -26.177 591 H HIS 81 H HIS 81 23.200 12.930 -24.508 592 HA HIS 81 HA HIS 81 21.272 15.198 -24.674 593 1HB HIS 81 HB2 HIS 81 22.547 14.936 -22.511 594 2HB HIS 81 HB3 HIS 81 24.044 15.081 -23.417 595 HD1 HIS 81 HD1 HIS 81 21.007 17.515 -23.957 596 HD2 HIS 81 HD2 HIS 81 24.897 17.284 -22.319 597 HE1 HIS 81 HE1 HIS 81 21.671 19.857 -23.345 598 H GLN 82 H GLN 82 22.365 13.503 -26.829 599 HA GLN 82 HA GLN 82 24.390 15.065 -28.242 600 1HB GLN 82 HB2 GLN 82 22.676 12.714 -29.176 601 2HB GLN 82 HB3 GLN 82 24.103 13.348 -29.993 602 1HG GLN 82 HG2 GLN 82 24.041 11.934 -27.291 603 2HG GLN 82 HG3 GLN 82 24.660 11.296 -28.802 604 1HE2 GLN 82 HE22 GLN 82 25.651 12.666 -25.906 605 2HE2 GLN 82 HE21 GLN 82 27.187 13.323 -26.435 606 H SER 83 H SER 83 21.488 15.986 -27.505 607 HA SER 83 HA SER 83 19.905 16.489 -29.686 608 1HB SER 83 HB2 SER 83 20.339 18.353 -27.343 609 2HB SER 83 HB3 SER 83 18.805 17.934 -28.126 610 HG SER 83 HG SER 83 19.365 17.001 -25.989 611 H GLN 84 H GLN 84 22.963 18.024 -28.928 612 HA GLN 84 HA GLN 84 24.011 19.920 -29.498 613 1HB GLN 84 HB2 GLN 84 22.370 19.806 -32.061 614 2HB GLN 84 HB3 GLN 84 23.823 20.767 -31.787 615 1HG GLN 84 HG2 GLN 84 25.126 18.675 -31.389 616 2HG GLN 84 HG3 GLN 84 23.685 17.724 -31.759 617 1HE2 GLN 84 HE22 GLN 84 26.315 19.609 -33.137 618 2HE2 GLN 84 HE21 GLN 84 25.902 19.336 -34.810 619 H ASP 85 H ASP 85 21.824 20.099 -27.767 620 HA ASP 85 HA ASP 85 20.964 22.859 -27.837 621 1HB ASP 85 HB2 ASP 85 19.330 21.767 -29.406 622 2HB ASP 85 HB3 ASP 85 18.953 20.573 -28.165 623 H LYS 86 H LYS 86 19.795 23.249 -25.692 624 HA LYS 86 HA LYS 86 21.021 21.812 -23.565 625 1HB LYS 86 HB2 LYS 86 19.632 23.118 -22.067 626 2HB LYS 86 HB3 LYS 86 20.509 24.099 -23.217 627 1HG LYS 86 HG2 LYS 86 17.628 23.321 -23.753 628 2HG LYS 86 HG3 LYS 86 17.990 24.583 -22.587 629 1HD LYS 86 HD2 LYS 86 18.712 24.647 -25.538 630 2HD LYS 86 HD3 LYS 86 17.384 25.495 -24.781 631 1HE LYS 86 HE2 LYS 86 20.340 25.972 -24.171 632 2HE LYS 86 HE3 LYS 86 19.353 26.939 -25.263 633 1HZ LYS 86 HZ1 LYS 86 19.495 27.971 -23.108 634 2HZ LYS 86 HZ2 LYS 86 17.950 27.546 -23.382 635 3HZ LYS 86 HZ3 LYS 86 18.875 26.671 -22.351 636 H LYS 87 H LYS 87 18.058 21.110 -25.308 637 HA LYS 87 HA LYS 87 16.670 19.591 -23.375 638 1HB LYS 87 HB2 LYS 87 15.723 20.326 -25.461 639 2HB LYS 87 HB3 LYS 87 16.881 19.388 -26.407 640 1HG LYS 87 HG2 LYS 87 15.852 17.322 -25.852 641 2HG LYS 87 HG3 LYS 87 14.888 18.039 -24.553 642 1HD LYS 87 HD2 LYS 87 14.573 18.877 -27.466 643 2HD LYS 87 HD3 LYS 87 13.674 17.528 -26.756 644 1HE LYS 87 HE2 LYS 87 12.748 19.000 -25.017 645 2HE LYS 87 HE3 LYS 87 13.652 20.376 -25.647 646 1HZ LYS 87 HZ1 LYS 87 11.560 18.945 -27.182 647 2HZ LYS 87 HZ2 LYS 87 11.327 20.328 -26.337 648 3HZ LYS 87 HZ3 LYS 87 12.335 20.315 -27.637 649 H ILE 88 H ILE 88 16.428 17.279 -23.177 650 HA ILE 88 HA ILE 88 18.805 15.637 -23.811 651 HB ILE 88 HB ILE 88 17.438 15.363 -21.128 652 1HG1 ILE 88 HG12 ILE 88 19.786 17.252 -21.594 653 2HG1 ILE 88 HG13 ILE 88 18.155 17.727 -21.111 654 1HG2 ILE 88 HG21 ILE 88 18.951 13.578 -21.974 655 2HG2 ILE 88 HG22 ILE 88 20.279 14.749 -22.017 656 3HG2 ILE 88 HG23 ILE 88 19.525 14.280 -20.479 657 1HD1 ILE 88 HD11 ILE 88 20.127 16.166 -19.426 658 2HD1 ILE 88 HD12 ILE 88 19.497 17.797 -19.164 659 3HD1 ILE 88 HD13 ILE 88 18.410 16.403 -19.004 660 H HIS 89 H HIS 89 18.174 13.308 -23.876 661 HA HIS 89 HA HIS 89 15.256 12.911 -24.325 662 1HB HIS 89 HB2 HIS 89 16.610 13.418 -26.410 663 2HB HIS 89 HB3 HIS 89 17.502 11.925 -26.115 664 HD1 HIS 89 HD1 HIS 89 13.993 13.171 -27.090 665 HD2 HIS 89 HD2 HIS 89 16.252 9.630 -26.760 666 HE1 HIS 89 HE1 HIS 89 12.674 11.353 -28.309 667 H VAL 90 H VAL 90 14.507 10.822 -23.900 668 HA VAL 90 HA VAL 90 16.333 8.994 -22.397 669 HB VAL 90 HB VAL 90 13.365 9.572 -21.964 670 1HG1 VAL 90 HG11 VAL 90 14.115 7.345 -21.184 671 2HG1 VAL 90 HG12 VAL 90 15.325 8.109 -20.144 672 3HG1 VAL 90 HG13 VAL 90 13.596 8.387 -19.853 673 1HG2 VAL 90 HG21 VAL 90 14.036 10.762 -19.870 674 2HG2 VAL 90 HG22 VAL 90 15.723 10.728 -20.429 675 3HG2 VAL 90 HG23 VAL 90 14.489 11.615 -21.344 676 H TYR 91 H TYR 91 16.350 6.850 -23.197 677 HA TYR 91 HA TYR 91 14.067 5.783 -24.630 678 1HB TYR 91 HB2 TYR 91 15.188 5.451 -26.784 679 2HB TYR 91 HB3 TYR 91 14.878 7.112 -26.422 680 HD1 TYR 91 HD1 TYR 91 17.918 5.899 -24.721 681 HD2 TYR 91 HD2 TYR 91 16.304 7.465 -28.407 682 HE1 TYR 91 HE1 TYR 91 20.171 6.560 -25.422 683 HE2 TYR 91 HE2 TYR 91 18.576 8.060 -29.152 684 HH TYR 91 HH TYR 91 20.851 8.099 -28.598 685 H GLY 92 H GLY 92 15.267 3.668 -25.961 686 1HA GLY 92 HA2 GLY 92 16.282 1.664 -25.703 687 2HA GLY 92 HA3 GLY 92 17.306 2.379 -24.449 688 H TYR 93 H TYR 93 17.167 0.361 -23.348 689 HA TYR 93 HA TYR 93 14.917 0.148 -21.520 690 1HB TYR 93 HB2 TYR 93 14.762 -2.335 -21.929 691 2HB TYR 93 HB3 TYR 93 14.089 -1.341 -23.204 692 HD1 TYR 93 HD1 TYR 93 14.961 -1.404 -25.455 693 HD2 TYR 93 HD2 TYR 93 16.916 -3.583 -22.284 694 HE1 TYR 93 HE1 TYR 93 16.293 -2.647 -27.133 695 HE2 TYR 93 HE2 TYR 93 18.256 -4.821 -23.947 696 HH TYR 93 HH TYR 93 18.715 -5.143 -26.210 697 H SER 94 H SER 94 15.559 -1.073 -19.597 698 HA SER 94 HA SER 94 18.340 -0.816 -19.014 699 1HB SER 94 HB2 SER 94 16.933 -0.603 -17.171 700 2HB SER 94 HB3 SER 94 16.026 -2.080 -17.544 701 HG SER 94 HG SER 94 17.771 -2.064 -15.806 702 H MET 95 H MET 95 19.955 -2.204 -19.185 703 HA MET 95 HA MET 95 19.879 -4.621 -20.672 704 1HB MET 95 HB2 MET 95 21.883 -3.658 -18.589 705 2HB MET 95 HB3 MET 95 22.168 -4.950 -19.758 706 1HG MET 95 HG2 MET 95 21.886 -3.369 -21.622 707 2HG MET 95 HG3 MET 95 21.604 -2.047 -20.493 708 1HE MET 95 HE1 MET 95 23.406 -0.924 -18.973 709 2HE MET 95 HE2 MET 95 23.783 -2.470 -18.176 710 3HE MET 95 HE3 MET 95 25.093 -1.475 -18.835 711 H ALA 96 H ALA 96 18.876 -4.053 -17.379 712 HA ALA 96 HA ALA 96 19.045 -6.977 -16.760 713 1HB ALA 96 HB1 ALA 96 20.654 -5.623 -15.460 714 2HB ALA 96 HB2 ALA 96 19.319 -4.596 -14.877 715 3HB ALA 96 HB3 ALA 96 19.389 -6.311 -14.424 716 H TYR 97 H TYR 97 16.987 -4.110 -16.815 717 HA TYR 97 HA TYR 97 14.794 -5.654 -15.500 718 1HB TYR 97 HB2 TYR 97 15.299 -2.677 -15.276 719 2HB TYR 97 HB3 TYR 97 14.144 -3.636 -14.366 720 HD1 TYR 97 HD1 TYR 97 15.642 -5.917 -13.344 721 HD2 TYR 97 HD2 TYR 97 16.849 -1.789 -13.737 722 HE1 TYR 97 HE1 TYR 97 17.307 -6.243 -11.557 723 HE2 TYR 97 HE2 TYR 97 18.510 -2.105 -11.936 724 HH TYR 97 HH TYR 97 18.974 -5.272 -10.278 725 H GLY 98 H GLY 98 15.580 -4.458 -18.519 726 1HA GLY 98 HA2 GLY 98 14.239 -4.229 -20.367 727 2HA GLY 98 HA3 GLY 98 12.827 -4.589 -19.369 728 HA PRO 99 HA PRO 99 12.990 -0.105 -20.732 729 1HB PRO 99 HB2 PRO 99 10.518 0.087 -21.930 730 2HB PRO 99 HB3 PRO 99 11.988 -0.479 -22.769 731 1HG PRO 99 HG2 PRO 99 9.788 -2.142 -21.520 732 2HG PRO 99 HG3 PRO 99 10.582 -2.365 -23.109 733 1HD PRO 99 HD2 PRO 99 11.290 -3.806 -20.897 734 2HD PRO 99 HD3 PRO 99 12.497 -3.314 -22.122 735 H ALA 100 H ALA 100 12.523 1.411 -19.298 736 HA ALA 100 HA ALA 100 10.538 1.085 -17.174 737 1HB ALA 100 HB1 ALA 100 12.277 3.365 -18.191 738 2HB ALA 100 HB2 ALA 100 11.220 3.517 -16.779 739 3HB ALA 100 HB3 ALA 100 12.571 2.391 -16.745 740 H GLN 101 H GLN 101 8.899 2.836 -16.865 741 HA GLN 101 HA GLN 101 7.374 3.488 -19.304 742 1HB GLN 101 HB2 GLN 101 6.930 4.027 -16.329 743 2HB GLN 101 HB3 GLN 101 5.887 4.654 -17.614 744 1HG GLN 101 HG2 GLN 101 5.301 2.416 -18.336 745 2HG GLN 101 HG3 GLN 101 6.411 1.694 -17.159 746 1HE2 GLN 101 HE22 GLN 101 3.418 3.697 -17.444 747 2HE2 GLN 101 HE21 GLN 101 2.788 3.264 -15.876 748 H HIS 102 H HIS 102 9.334 4.647 -20.176 749 HA HIS 102 HA HIS 102 10.586 6.809 -18.963 750 1HB HIS 102 HB2 HIS 102 9.979 6.444 -21.913 751 2HB HIS 102 HB3 HIS 102 11.244 7.478 -21.245 752 HD1 HIS 102 HD1 HIS 102 10.826 4.008 -22.511 753 HD2 HIS 102 HD2 HIS 102 12.989 5.945 -19.475 754 HE1 HIS 102 HE1 HIS 102 12.672 2.407 -21.784 755 H ALA 103 H ALA 103 7.348 6.785 -20.263 756 HA ALA 103 HA ALA 103 6.851 9.549 -20.603 757 1HB ALA 103 HB1 ALA 103 5.246 7.777 -21.210 758 2HB ALA 103 HB2 ALA 103 5.056 7.336 -19.496 759 3HB ALA 103 HB3 ALA 103 4.511 8.924 -20.076 760 H ILE 104 H ILE 104 7.052 7.530 -17.620 761 HA ILE 104 HA ILE 104 6.152 9.571 -15.793 762 HB ILE 104 HB ILE 104 7.996 7.179 -15.329 763 1HG1 ILE 104 HG12 ILE 104 5.714 6.544 -16.207 764 2HG1 ILE 104 HG13 ILE 104 6.125 5.889 -14.630 765 1HG2 ILE 104 HG21 ILE 104 6.549 8.991 -13.360 766 2HG2 ILE 104 HG22 ILE 104 7.204 7.396 -12.934 767 3HG2 ILE 104 HG23 ILE 104 8.288 8.680 -13.487 768 1HD1 ILE 104 HD11 ILE 104 3.783 6.758 -14.833 769 2HD1 ILE 104 HD12 ILE 104 4.722 7.438 -13.493 770 3HD1 ILE 104 HD13 ILE 104 4.457 8.413 -14.972 771 H SER 105 H SER 105 9.418 8.434 -16.902 772 HA SER 105 HA SER 105 10.853 10.136 -15.221 773 1HB SER 105 HB2 SER 105 11.592 9.001 -17.955 774 2HB SER 105 HB3 SER 105 12.722 9.551 -16.705 775 HG SER 105 HG SER 105 11.681 7.989 -15.295 776 H THR 106 H THR 106 9.867 10.630 -18.622 777 HA THR 106 HA THR 106 10.905 13.286 -18.794 778 HB THR 106 HB THR 106 9.209 13.494 -20.700 779 HG1 THR 106 HG1 THR 106 8.970 10.686 -20.283 780 1HG2 THR 106 HG21 THR 106 11.582 12.891 -21.023 781 2HG2 THR 106 HG22 THR 106 11.198 11.179 -20.756 782 3HG2 THR 106 HG23 THR 106 10.520 12.048 -22.155 783 H GLU 107 H GLU 107 7.608 12.129 -17.746 784 HA GLU 107 HA GLU 107 6.565 14.718 -17.376 785 1HB GLU 107 HB2 GLU 107 5.899 11.998 -16.158 786 2HB GLU 107 HB3 GLU 107 5.181 13.461 -15.499 787 1HG GLU 107 HG2 GLU 107 4.292 14.108 -17.686 788 2HG GLU 107 HG3 GLU 107 5.035 12.706 -18.445 789 H LYS 108 H LYS 108 8.331 12.656 -14.995 790 HA LYS 108 HA LYS 108 8.151 14.592 -12.887 791 1HB LYS 108 HB2 LYS 108 10.127 12.305 -13.336 792 2HB LYS 108 HB3 LYS 108 10.014 13.258 -11.863 793 1HG LYS 108 HG2 LYS 108 7.903 11.352 -12.918 794 2HG LYS 108 HG3 LYS 108 8.927 11.182 -11.497 795 1HD LYS 108 HD2 LYS 108 7.769 13.435 -10.720 796 2HD LYS 108 HD3 LYS 108 6.585 13.052 -11.967 797 1HE LYS 108 HE2 LYS 108 5.754 12.246 -9.884 798 2HE LYS 108 HE3 LYS 108 6.176 10.830 -10.853 799 1HZ LYS 108 HZ1 LYS 108 8.025 10.417 -9.448 800 2HZ LYS 108 HZ2 LYS 108 8.124 11.952 -8.923 801 3HZ LYS 108 HZ3 LYS 108 6.923 10.978 -8.392 802 H ILE 109 H ILE 109 10.779 13.952 -15.295 803 HA ILE 109 HA ILE 109 12.519 15.949 -14.218 804 HB ILE 109 HB ILE 109 12.298 14.672 -16.965 805 1HG1 ILE 109 HG12 ILE 109 14.548 14.438 -14.905 806 2HG1 ILE 109 HG13 ILE 109 13.136 13.382 -14.842 807 1HG2 ILE 109 HG21 ILE 109 14.457 16.590 -15.975 808 2HG2 ILE 109 HG22 ILE 109 14.532 15.676 -17.475 809 3HG2 ILE 109 HG23 ILE 109 13.312 16.929 -17.277 810 1HD1 ILE 109 HD11 ILE 109 13.626 12.565 -17.144 811 2HD1 ILE 109 HD12 ILE 109 15.097 13.562 -17.172 812 3HD1 ILE 109 HD13 ILE 109 14.946 12.251 -16.001 813 H LYS 110 H LYS 110 9.963 16.181 -16.843 814 HA LYS 110 HA LYS 110 10.497 18.944 -17.301 815 1HB LYS 110 HB2 LYS 110 8.009 17.244 -17.750 816 2HB LYS 110 HB3 LYS 110 8.052 18.976 -18.092 817 1HG LYS 110 HG2 LYS 110 10.025 18.629 -19.594 818 2HG LYS 110 HG3 LYS 110 9.905 16.890 -19.334 819 1HD LYS 110 HD2 LYS 110 8.895 17.525 -21.462 820 2HD LYS 110 HD3 LYS 110 7.665 16.865 -20.377 821 1HE LYS 110 HE2 LYS 110 6.746 19.021 -19.909 822 2HE LYS 110 HE3 LYS 110 8.155 19.867 -20.564 823 1HZ LYS 110 HZ1 LYS 110 7.495 19.430 -22.728 824 2HZ LYS 110 HZ2 LYS 110 6.411 18.244 -22.305 825 3HZ LYS 110 HZ3 LYS 110 6.105 19.813 -21.983 826 H ALA 111 H ALA 111 8.312 17.355 -14.914 827 HA ALA 111 HA ALA 111 7.131 19.748 -13.958 828 1HB ALA 111 HB1 ALA 111 7.669 17.134 -12.475 829 2HB ALA 111 HB2 ALA 111 6.545 18.410 -11.971 830 3HB ALA 111 HB3 ALA 111 6.239 17.505 -13.465 831 H LYS 112 H LYS 112 10.067 17.972 -12.775 832 HA LYS 112 HA LYS 112 10.572 19.979 -10.737 833 1HB LYS 112 HB2 LYS 112 12.223 17.654 -11.798 834 2HB LYS 112 HB3 LYS 112 12.772 18.711 -10.497 835 1HG LYS 112 HG2 LYS 112 10.217 17.054 -10.418 836 2HG LYS 112 HG3 LYS 112 11.753 16.618 -9.657 837 1HD LYS 112 HD2 LYS 112 11.603 18.722 -8.271 838 2HD LYS 112 HD3 LYS 112 9.983 18.999 -8.948 839 1HE LYS 112 HE2 LYS 112 9.267 16.766 -8.091 840 2HE LYS 112 HE3 LYS 112 10.857 16.575 -7.336 841 1HZ LYS 112 HZ1 LYS 112 10.380 18.543 -5.991 842 2HZ LYS 112 HZ2 LYS 112 8.910 18.713 -6.684 843 3HZ LYS 112 HZ3 LYS 112 9.230 17.414 -5.761 844 H TYR 113 H TYR 113 11.478 19.680 -14.076 845 HA TYR 113 HA TYR 113 12.766 20.814 -15.461 846 1HB TYR 113 HB2 TYR 113 10.932 22.432 -14.833 847 2HB TYR 113 HB3 TYR 113 12.079 23.252 -13.796 848 HD1 TYR 113 HD1 TYR 113 11.348 22.236 -17.322 849 HD2 TYR 113 HD2 TYR 113 13.631 24.848 -14.753 850 HE1 TYR 113 HE1 TYR 113 11.981 23.610 -19.286 851 HE2 TYR 113 HE2 TYR 113 14.275 26.220 -16.705 852 HH TYR 113 HH TYR 113 14.031 26.552 -18.994 853 HA PRO 114 HA PRO 114 16.265 20.755 -12.354 854 1HB PRO 114 HB2 PRO 114 17.741 18.650 -13.333 855 2HB PRO 114 HB3 PRO 114 16.330 18.439 -12.251 856 1HG PRO 114 HG2 PRO 114 16.394 18.245 -15.267 857 2HG PRO 114 HG3 PRO 114 15.671 17.106 -14.080 858 1HD PRO 114 HD2 PRO 114 14.171 18.985 -15.361 859 2HD PRO 114 HD3 PRO 114 13.865 18.548 -13.651 860 H ASP 115 H ASP 115 16.151 20.922 -15.862 861 HA ASP 115 HA ASP 115 18.125 23.044 -15.773 862 1HB ASP 115 HB2 ASP 115 19.653 21.126 -16.079 863 2HB ASP 115 HB3 ASP 115 18.729 20.601 -17.488 864 H TYR 116 H TYR 116 16.236 20.849 -17.979 865 HA TYR 116 HA TYR 116 14.890 23.124 -19.171 866 1HB TYR 116 HB2 TYR 116 17.172 22.905 -20.369 867 2HB TYR 116 HB3 TYR 116 16.592 21.365 -20.982 868 HD1 TYR 116 HD1 TYR 116 15.373 21.378 -23.050 869 HD2 TYR 116 HD2 TYR 116 15.658 25.002 -20.733 870 HE1 TYR 116 HE1 TYR 116 14.289 22.631 -24.888 871 HE2 TYR 116 HE2 TYR 116 14.555 26.262 -22.553 872 HH TYR 116 HH TYR 116 13.616 26.157 -24.687 873 H GLU 117 H GLU 117 13.625 22.085 -21.207 874 HA GLU 117 HA GLU 117 11.913 19.955 -20.302 875 1HB GLU 117 HB2 GLU 117 11.081 21.662 -21.807 876 2HB GLU 117 HB3 GLU 117 12.361 21.342 -22.986 877 1HG GLU 117 HG2 GLU 117 11.428 19.159 -23.504 878 2HG GLU 117 HG3 GLU 117 10.248 19.308 -22.198 879 H VAL 118 H VAL 118 11.752 17.833 -21.317 880 HA VAL 118 HA VAL 118 14.106 16.826 -22.751 881 HB VAL 118 HB VAL 118 14.131 14.802 -21.319 882 1HG1 VAL 118 HG11 VAL 118 15.669 16.797 -20.958 883 2HG1 VAL 118 HG12 VAL 118 14.625 17.276 -19.615 884 3HG1 VAL 118 HG13 VAL 118 15.471 15.711 -19.572 885 1HG2 VAL 118 HG21 VAL 118 12.396 16.356 -19.341 886 2HG2 VAL 118 HG22 VAL 118 11.787 15.064 -20.376 887 3HG2 VAL 118 HG23 VAL 118 13.039 14.701 -19.184 888 H THR 119 H THR 119 13.564 14.535 -23.598 889 HA THR 119 HA THR 119 10.682 14.202 -24.225 890 HB THR 119 HB THR 119 11.448 13.823 -26.655 891 HG1 THR 119 HG1 THR 119 13.654 15.336 -25.691 892 1HG2 THR 119 HG21 THR 119 11.557 16.673 -25.598 893 2HG2 THR 119 HG22 THR 119 11.263 16.166 -27.279 894 3HG2 THR 119 HG23 THR 119 10.091 15.761 -26.012 895 H TRP 120 H TRP 120 10.436 12.022 -25.533 896 HA TRP 120 HA TRP 120 12.609 10.166 -25.077 897 1HB TRP 120 HB2 TRP 120 11.350 8.478 -23.931 898 2HB TRP 120 HB3 TRP 120 11.232 9.934 -22.967 899 HD1 TRP 120 HD1 TRP 120 8.738 11.319 -23.634 900 HE1 TRP 120 HE1 TRP 120 6.408 10.291 -23.649 901 HE3 TRP 120 HE3 TRP 120 10.053 6.442 -24.417 902 HZ2 TRP 120 HZ2 TRP 120 5.245 7.637 -23.908 903 HZ3 TRP 120 HZ3 TRP 120 8.318 4.679 -24.505 904 HH2 TRP 120 HH2 TRP 120 5.913 5.261 -24.259 905 H ALA 121 H ALA 121 12.267 8.132 -26.198 906 HA ALA 121 HA ALA 121 9.931 7.865 -27.883 907 1HB ALA 121 HB1 ALA 121 12.739 7.961 -29.123 908 2HB ALA 121 HB2 ALA 121 11.257 7.465 -29.967 909 3HB ALA 121 HB3 ALA 121 11.437 9.140 -29.412 910 H ASN 122 H ASN 122 9.463 5.665 -27.985 911 HA ASN 122 HA ASN 122 11.063 3.840 -26.403 912 1HB ASN 122 HB2 ASN 122 8.601 3.726 -26.549 913 2HB ASN 122 HB3 ASN 122 8.707 3.347 -28.270 914 1HD2 ASN 122 HD22 ASN 122 8.582 1.141 -28.726 915 2HD2 ASN 122 HD21 ASN 122 9.058 -0.125 -27.628 916 H ASP 123 H ASP 123 10.941 4.664 -29.807 917 HA ASP 123 HA ASP 123 11.895 2.218 -30.903 918 1HB ASP 123 HB2 ASP 123 10.704 3.923 -32.203 919 2HB ASP 123 HB3 ASP 123 12.022 5.072 -31.939 920 H GLY 124 H GLY 124 13.613 5.004 -29.564 921 1HA GLY 124 HA2 GLY 124 16.185 4.344 -30.777 922 2HA GLY 124 HA3 GLY 124 15.872 5.593 -29.578 923 H TYR 125 H TYR 125 18.157 4.133 -29.321 924 HA TYR 125 HA TYR 125 17.810 2.877 -26.739 925 1HB TYR 125 HB2 TYR 125 17.633 0.924 -28.286 926 2HB TYR 125 HB3 TYR 125 19.158 1.389 -29.031 927 HD1 TYR 125 HD1 TYR 125 17.564 -0.147 -26.082 928 HD2 TYR 125 HD2 TYR 125 21.308 1.106 -27.814 929 HE1 TYR 125 HE1 TYR 125 18.786 -1.416 -24.340 930 HE2 TYR 125 HE2 TYR 125 22.540 -0.188 -26.105 931 HH TYR 125 HH TYR 125 22.375 -1.568 -24.235 Start of MODEL 12 1 1H MET 1 H1 MET 1 14.114 12.678 17.302 2 2H MET 1 H2 MET 1 13.910 13.672 16.016 3 3H MET 1 H3 MET 1 12.757 13.593 17.170 4 HA MET 1 HA MET 1 13.525 11.423 15.357 5 1HB MET 1 HB2 MET 1 12.807 10.677 17.637 6 2HB MET 1 HB3 MET 1 11.239 11.444 17.385 7 1HG MET 1 HG2 MET 1 12.383 9.296 15.551 8 2HG MET 1 HG3 MET 1 11.443 8.934 16.991 9 1HE MET 1 HE1 MET 1 8.996 7.916 14.145 10 2HE MET 1 HE2 MET 1 10.769 7.818 14.052 11 3HE MET 1 HE3 MET 1 9.928 7.387 15.561 12 H ALA 2 H ALA 2 12.493 11.404 13.401 13 HA ALA 2 HA ALA 2 9.974 12.802 12.972 14 1HB ALA 2 HB1 ALA 2 12.501 13.546 11.411 15 2HB ALA 2 HB2 ALA 2 10.854 14.100 11.050 16 3HB ALA 2 HB3 ALA 2 11.641 14.608 12.551 17 H VAL 3 H VAL 3 9.290 12.322 10.621 18 HA VAL 3 HA VAL 3 10.397 9.784 9.575 19 HB VAL 3 HB VAL 3 7.428 10.283 10.114 20 1HG1 VAL 3 HG11 VAL 3 7.782 8.841 8.172 21 2HG1 VAL 3 HG12 VAL 3 8.927 7.835 9.084 22 3HG1 VAL 3 HG13 VAL 3 7.206 7.865 9.516 23 1HG2 VAL 3 HG21 VAL 3 9.379 8.478 11.607 24 2HG2 VAL 3 HG22 VAL 3 8.473 9.856 12.270 25 3HG2 VAL 3 HG23 VAL 3 7.610 8.408 11.766 26 H ALA 4 H ALA 4 10.566 9.905 7.378 27 HA ALA 4 HA ALA 4 9.859 12.352 5.988 28 1HB ALA 4 HB1 ALA 4 10.947 11.300 4.074 29 2HB ALA 4 HB2 ALA 4 11.939 11.051 5.515 30 3HB ALA 4 HB3 ALA 4 10.944 9.723 4.880 31 H ASP 5 H ASP 5 8.911 11.784 3.584 32 HA ASP 5 HA ASP 5 6.639 9.952 3.622 33 1HB ASP 5 HB2 ASP 5 5.622 11.980 4.598 34 2HB ASP 5 HB3 ASP 5 6.304 12.972 3.306 35 H LEU 6 H LEU 6 5.892 9.659 1.354 36 HA LEU 6 HA LEU 6 7.978 9.520 -0.505 37 1HB LEU 6 HB2 LEU 6 4.963 9.623 -0.928 38 2HB LEU 6 HB3 LEU 6 6.132 9.222 -2.171 39 HG LEU 6 HG LEU 6 5.625 7.606 0.354 40 1HD1 LEU 6 HD11 LEU 6 4.937 7.092 -2.568 41 2HD1 LEU 6 HD12 LEU 6 4.696 5.949 -1.245 42 3HD1 LEU 6 HD13 LEU 6 3.796 7.472 -1.274 43 1HD2 LEU 6 HD21 LEU 6 7.045 5.865 -0.791 44 2HD2 LEU 6 HD22 LEU 6 7.546 7.098 -1.958 45 3HD2 LEU 6 HD23 LEU 6 7.936 7.271 -0.227 46 H ALA 7 H ALA 7 5.672 12.233 0.034 47 HA ALA 7 HA ALA 7 6.288 13.575 -2.395 48 1HB ALA 7 HB1 ALA 7 5.324 14.710 0.264 49 2HB ALA 7 HB2 ALA 7 5.242 15.520 -1.313 50 3HB ALA 7 HB3 ALA 7 4.284 14.054 -1.026 51 H LEU 8 H LEU 8 8.078 13.249 0.600 52 HA LEU 8 HA LEU 8 9.682 15.691 0.155 53 1HB LEU 8 HB2 LEU 8 9.836 13.576 2.341 54 2HB LEU 8 HB3 LEU 8 10.737 15.083 2.296 55 HG LEU 8 HG LEU 8 7.704 14.855 2.532 56 1HD1 LEU 8 HD11 LEU 8 8.052 15.651 4.834 57 2HD1 LEU 8 HD12 LEU 8 8.884 14.118 4.557 58 3HD1 LEU 8 HD13 LEU 8 9.812 15.633 4.589 59 1HD2 LEU 8 HD21 LEU 8 7.783 17.291 3.043 60 2HD2 LEU 8 HD22 LEU 8 9.509 17.313 2.616 61 3HD2 LEU 8 HD23 LEU 8 8.277 16.942 1.387 62 H ILE 9 H ILE 9 9.832 12.254 -0.536 63 HA ILE 9 HA ILE 9 12.640 11.906 -0.576 64 HB ILE 9 HB ILE 9 10.447 10.575 -2.204 65 1HG1 ILE 9 HG12 ILE 9 11.918 9.809 0.355 66 2HG1 ILE 9 HG13 ILE 9 10.217 10.298 0.210 67 1HG2 ILE 9 HG21 ILE 9 13.330 9.690 -1.811 68 2HG2 ILE 9 HG22 ILE 9 12.074 8.787 -2.685 69 3HG2 ILE 9 HG23 ILE 9 12.663 10.309 -3.331 70 1HD1 ILE 9 HD11 ILE 9 11.482 7.727 -0.706 71 2HD1 ILE 9 HD12 ILE 9 10.183 7.973 0.468 72 3HD1 ILE 9 HD13 ILE 9 9.873 8.261 -1.262 73 HA PRO 10 HA PRO 10 13.619 14.774 -3.975 74 1HB PRO 10 HB2 PRO 10 15.963 12.899 -4.303 75 2HB PRO 10 HB3 PRO 10 15.931 14.686 -4.312 76 1HG PRO 10 HG2 PRO 10 16.722 13.334 -2.094 77 2HG PRO 10 HG3 PRO 10 15.664 14.774 -1.949 78 1HD PRO 10 HD2 PRO 10 14.889 11.855 -1.825 79 2HD PRO 10 HD3 PRO 10 14.339 13.225 -0.813 80 H ASP 11 H ASP 11 12.343 14.601 -5.678 81 HA ASP 11 HA ASP 11 11.412 12.124 -6.629 82 1HB ASP 11 HB2 ASP 11 10.319 14.479 -6.493 83 2HB ASP 11 HB3 ASP 11 11.024 14.734 -8.093 84 H VAL 12 H VAL 12 13.840 14.329 -8.005 85 HA VAL 12 HA VAL 12 14.591 12.299 -10.010 86 HB VAL 12 HB VAL 12 13.948 15.214 -10.668 87 1HG1 VAL 12 HG11 VAL 12 15.864 14.444 -11.985 88 2HG1 VAL 12 HG12 VAL 12 14.976 12.988 -12.481 89 3HG1 VAL 12 HG13 VAL 12 14.441 14.600 -13.004 90 1HG2 VAL 12 HG21 VAL 12 12.249 14.306 -12.233 91 2HG2 VAL 12 HG22 VAL 12 12.518 12.682 -11.569 92 3HG2 VAL 12 HG23 VAL 12 11.850 13.973 -10.555 93 H ASP 13 H ASP 13 16.818 12.269 -10.220 94 HA ASP 13 HA ASP 13 18.384 14.672 -9.841 95 1HB ASP 13 HB2 ASP 13 18.315 13.975 -7.486 96 2HB ASP 13 HB3 ASP 13 18.809 12.340 -7.925 97 H ILE 14 H ILE 14 19.703 14.547 -11.596 98 HA ILE 14 HA ILE 14 20.770 11.949 -12.462 99 HB ILE 14 HB ILE 14 20.172 12.595 -14.857 100 1HG1 ILE 14 HG12 ILE 14 18.006 13.720 -15.221 101 2HG1 ILE 14 HG13 ILE 14 17.957 14.244 -13.544 102 1HG2 ILE 14 HG21 ILE 14 19.205 10.697 -13.649 103 2HG2 ILE 14 HG22 ILE 14 17.912 11.734 -13.009 104 3HG2 ILE 14 HG23 ILE 14 18.034 11.421 -14.752 105 1HD1 ILE 14 HD11 ILE 14 19.836 15.746 -13.915 106 2HD1 ILE 14 HD12 ILE 14 20.124 15.048 -15.533 107 3HD1 ILE 14 HD13 ILE 14 18.658 15.989 -15.208 108 H ASP 15 H ASP 15 22.558 12.150 -13.935 109 HA ASP 15 HA ASP 15 24.376 14.180 -13.024 110 1HB ASP 15 HB2 ASP 15 24.986 11.854 -13.521 111 2HB ASP 15 HB3 ASP 15 24.668 12.119 -15.237 112 H SER 16 H SER 16 25.741 15.477 -14.503 113 HA SER 16 HA SER 16 24.217 17.382 -15.988 114 1HB SER 16 HB2 SER 16 27.233 16.968 -15.848 115 2HB SER 16 HB3 SER 16 26.379 18.474 -16.229 116 HG SER 16 HG SER 16 27.087 18.405 -14.052 117 H ASP 17 H ASP 17 25.244 18.175 -18.156 118 HA ASP 17 HA ASP 17 24.541 16.802 -20.359 119 1HB ASP 17 HB2 ASP 17 25.232 19.051 -20.568 120 2HB ASP 17 HB3 ASP 17 26.833 18.718 -19.901 121 H GLY 18 H GLY 18 25.011 14.905 -21.272 122 1HA GLY 18 HA2 GLY 18 27.423 13.801 -22.016 123 2HA GLY 18 HA3 GLY 18 27.149 13.249 -20.350 124 H VAL 19 H VAL 19 26.989 11.102 -21.383 125 HA VAL 19 HA VAL 19 24.170 10.472 -21.971 126 HB VAL 19 HB VAL 19 26.573 9.306 -23.454 127 1HG1 VAL 19 HG11 VAL 19 23.612 8.608 -23.665 128 2HG1 VAL 19 HG12 VAL 19 24.891 8.001 -24.737 129 3HG1 VAL 19 HG13 VAL 19 24.900 7.564 -23.026 130 1HG2 VAL 19 HG21 VAL 19 25.977 11.483 -24.409 131 2HG2 VAL 19 HG22 VAL 19 25.479 10.194 -25.504 132 3HG2 VAL 19 HG23 VAL 19 24.267 11.006 -24.491 133 H PHE 20 H PHE 20 23.508 8.868 -20.551 134 HA PHE 20 HA PHE 20 25.384 7.026 -19.297 135 1HB PHE 20 HB2 PHE 20 24.838 7.826 -16.986 136 2HB PHE 20 HB3 PHE 20 25.909 8.875 -17.887 137 HD1 PHE 20 HD1 PHE 20 25.253 11.140 -18.541 138 HD2 PHE 20 HD2 PHE 20 22.455 8.541 -16.541 139 HE1 PHE 20 HE1 PHE 20 23.729 13.058 -18.158 140 HE2 PHE 20 HE2 PHE 20 20.957 10.471 -16.129 141 HZ PHE 20 HZ PHE 20 21.595 12.737 -16.939 142 H LYS 21 H LYS 21 24.236 5.550 -17.813 143 HA LYS 21 HA LYS 21 21.567 4.931 -18.880 144 1HB LYS 21 HB2 LYS 21 23.425 3.505 -16.931 145 2HB LYS 21 HB3 LYS 21 21.829 2.904 -17.393 146 1HG LYS 21 HG2 LYS 21 22.476 2.710 -19.730 147 2HG LYS 21 HG3 LYS 21 24.044 3.477 -19.411 148 1HD LYS 21 HD2 LYS 21 24.654 1.632 -17.897 149 2HD LYS 21 HD3 LYS 21 23.122 0.814 -18.254 150 1HE LYS 21 HE2 LYS 21 23.741 0.687 -20.654 151 2HE LYS 21 HE3 LYS 21 25.240 1.566 -20.321 152 1HZ LYS 21 HZ1 LYS 21 25.898 -0.294 -18.867 153 2HZ LYS 21 HZ2 LYS 21 24.564 -1.136 -19.319 154 3HZ LYS 21 HZ3 LYS 21 25.704 -0.762 -20.427 155 H TYR 22 H TYR 22 19.745 4.520 -17.475 156 HA TYR 22 HA TYR 22 19.815 5.789 -14.828 157 1HB TYR 22 HB2 TYR 22 18.505 7.544 -15.306 158 2HB TYR 22 HB3 TYR 22 19.014 7.317 -16.961 159 HD1 TYR 22 HD1 TYR 22 16.266 7.326 -14.621 160 HD2 TYR 22 HD2 TYR 22 17.527 5.854 -18.466 161 HE1 TYR 22 HE1 TYR 22 13.941 6.606 -15.100 162 HE2 TYR 22 HE2 TYR 22 15.225 5.102 -18.943 163 HH TYR 22 HH TYR 22 13.117 4.766 -18.035 164 H VAL 23 H VAL 23 17.610 5.352 -13.726 165 HA VAL 23 HA VAL 23 16.216 2.987 -14.736 166 HB VAL 23 HB VAL 23 18.154 2.214 -13.316 167 1HG1 VAL 23 HG11 VAL 23 16.585 3.361 -10.985 168 2HG1 VAL 23 HG12 VAL 23 18.065 2.403 -10.900 169 3HG1 VAL 23 HG13 VAL 23 18.096 4.034 -11.607 170 1HG2 VAL 23 HG21 VAL 23 15.408 1.463 -12.257 171 2HG2 VAL 23 HG22 VAL 23 16.235 0.765 -13.672 172 3HG2 VAL 23 HG23 VAL 23 16.915 0.542 -12.061 173 H LEU 24 H LEU 24 14.104 2.799 -13.823 174 HA LEU 24 HA LEU 24 13.048 5.290 -12.553 175 1HB LEU 24 HB2 LEU 24 12.187 4.871 -14.849 176 2HB LEU 24 HB3 LEU 24 11.720 3.239 -14.380 177 HG LEU 24 HG LEU 24 10.065 4.229 -12.733 178 1HD1 LEU 24 HD11 LEU 24 9.482 6.610 -12.953 179 2HD1 LEU 24 HD12 LEU 24 11.129 6.433 -12.357 180 3HD1 LEU 24 HD13 LEU 24 10.845 6.855 -14.065 181 1HD2 LEU 24 HD21 LEU 24 9.371 3.522 -14.970 182 2HD2 LEU 24 HD22 LEU 24 8.459 4.927 -14.424 183 3HD2 LEU 24 HD23 LEU 24 9.766 5.138 -15.619 184 H ILE 25 H ILE 25 12.625 4.824 -10.379 185 HA ILE 25 HA ILE 25 11.914 2.018 -9.726 186 HB ILE 25 HB ILE 25 13.990 1.817 -9.213 187 1HG1 ILE 25 HG12 ILE 25 12.587 1.502 -7.137 188 2HG1 ILE 25 HG13 ILE 25 14.331 1.549 -6.963 189 1HG2 ILE 25 HG21 ILE 25 14.922 3.997 -9.759 190 2HG2 ILE 25 HG22 ILE 25 14.521 4.576 -8.146 191 3HG2 ILE 25 HG23 ILE 25 15.676 3.230 -8.348 192 1HD1 ILE 25 HD11 ILE 25 13.145 2.752 -5.171 193 2HD1 ILE 25 HD12 ILE 25 14.344 3.722 -6.010 194 3HD1 ILE 25 HD13 ILE 25 12.610 3.955 -6.346 195 H ARG 26 H ARG 26 10.337 1.664 -8.487 196 HA ARG 26 HA ARG 26 8.637 3.871 -7.540 197 1HB ARG 26 HB2 ARG 26 7.646 1.985 -8.710 198 2HB ARG 26 HB3 ARG 26 8.365 0.826 -7.594 199 1HG ARG 26 HG2 ARG 26 6.935 1.443 -5.813 200 2HG ARG 26 HG3 ARG 26 6.479 2.976 -6.567 201 1HD ARG 26 HD2 ARG 26 5.755 0.260 -7.746 202 2HD ARG 26 HD3 ARG 26 4.703 1.163 -6.635 203 HE ARG 26 HE ARG 26 5.332 3.027 -8.532 204 1HH1 ARG 26 HH21 ARG 26 3.759 -0.164 -8.704 205 2HH1 ARG 26 HH22 ARG 26 2.875 0.205 -10.138 206 1HH2 ARG 26 HH11 ARG 26 4.234 3.505 -10.426 207 2HH2 ARG 26 HH12 ARG 26 3.121 2.366 -11.131 208 H VAL 27 H VAL 27 8.183 4.173 -5.388 209 HA VAL 27 HA VAL 27 9.691 2.705 -3.307 210 HB VAL 27 HB VAL 27 9.091 5.705 -3.336 211 1HG1 VAL 27 HG11 VAL 27 11.003 3.997 -1.691 212 2HG1 VAL 27 HG12 VAL 27 10.798 5.746 -1.545 213 3HG1 VAL 27 HG13 VAL 27 9.455 4.679 -1.125 214 1HG2 VAL 27 HG21 VAL 27 11.751 4.441 -4.096 215 2HG2 VAL 27 HG22 VAL 27 10.690 5.379 -5.178 216 3HG2 VAL 27 HG23 VAL 27 11.456 6.169 -3.808 217 H HIS 28 H HIS 28 8.282 2.115 -1.646 218 HA HIS 28 HA HIS 28 5.407 2.934 -1.846 219 1HB HIS 28 HB2 HIS 28 6.717 0.653 -0.324 220 2HB HIS 28 HB3 HIS 28 4.989 0.944 -0.524 221 HD1 HIS 28 HD1 HIS 28 4.279 0.931 -3.392 222 HD2 HIS 28 HD2 HIS 28 7.735 -1.043 -2.009 223 HE1 HIS 28 HE1 HIS 28 4.877 -0.800 -5.154 224 H SER 29 H SER 29 4.379 3.836 0.027 225 HA SER 29 HA SER 29 5.946 5.383 1.788 226 1HB SER 29 HB2 SER 29 3.143 4.407 2.331 227 2HB SER 29 HB3 SER 29 3.891 5.876 2.941 228 HG SER 29 HG SER 29 3.576 6.809 1.020 229 H ALA 30 H ALA 30 7.500 4.206 2.929 230 HA ALA 30 HA ALA 30 6.431 3.020 5.365 231 1HB ALA 30 HB1 ALA 30 6.738 1.053 3.899 232 2HB ALA 30 HB2 ALA 30 8.448 1.461 3.695 233 3HB ALA 30 HB3 ALA 30 7.824 1.011 5.289 234 HA PRO 31 HA PRO 31 10.721 5.399 5.731 235 1HB PRO 31 HB2 PRO 31 8.762 7.618 6.359 236 2HB PRO 31 HB3 PRO 31 10.517 7.742 5.993 237 1HG PRO 31 HG2 PRO 31 8.711 8.138 4.014 238 2HG PRO 31 HG3 PRO 31 10.147 7.124 3.703 239 1HD PRO 31 HD2 PRO 31 7.316 6.267 4.304 240 2HD PRO 31 HD3 PRO 31 8.500 5.568 3.162 241 H ARG 32 H ARG 32 11.566 5.234 7.665 242 HA ARG 32 HA ARG 32 11.837 4.115 9.605 243 1HB ARG 32 HB2 ARG 32 10.100 6.385 10.619 244 2HB ARG 32 HB3 ARG 32 11.307 5.495 11.535 245 1HG ARG 32 HG2 ARG 32 11.801 7.421 9.236 246 2HG ARG 32 HG3 ARG 32 12.225 7.638 10.926 247 1HD ARG 32 HD2 ARG 32 13.462 5.619 9.007 248 2HD ARG 32 HD3 ARG 32 14.199 7.123 9.561 249 HE ARG 32 HE ARG 32 13.681 5.805 11.898 250 1HH1 ARG 32 HH21 ARG 32 15.514 4.920 8.943 251 2HH1 ARG 32 HH22 ARG 32 16.551 3.838 9.779 252 1HH2 ARG 32 HH11 ARG 32 15.088 4.346 12.967 253 2HH2 ARG 32 HH12 ARG 32 16.320 3.513 12.100 254 H SER 33 H SER 33 9.626 2.900 8.175 255 HA SER 33 HA SER 33 7.948 1.468 8.420 256 1HB SER 33 HB2 SER 33 9.138 0.902 11.159 257 2HB SER 33 HB3 SER 33 8.165 -0.193 10.164 258 HG SER 33 HG SER 33 10.413 -0.608 9.986 259 H GLY 34 H GLY 34 7.320 4.218 9.172 260 1HA GLY 34 HA2 GLY 34 4.873 3.754 10.778 261 2HA GLY 34 HA3 GLY 34 6.082 4.896 11.393 262 H ALA 35 H ALA 35 5.392 4.402 7.939 263 HA ALA 35 HA ALA 35 4.996 7.185 7.460 264 1HB ALA 35 HB1 ALA 35 5.888 5.582 5.801 265 2HB ALA 35 HB2 ALA 35 4.293 4.796 5.699 266 3HB ALA 35 HB3 ALA 35 4.496 6.483 5.169 267 HA PRO 36 HA PRO 36 0.673 7.688 8.337 268 1HB PRO 36 HB2 PRO 36 0.410 9.170 5.726 269 2HB PRO 36 HB3 PRO 36 -0.087 9.681 7.367 270 1HG PRO 36 HG2 PRO 36 2.159 10.677 6.214 271 2HG PRO 36 HG3 PRO 36 2.149 10.234 7.954 272 1HD PRO 36 HD2 PRO 36 3.239 8.654 5.616 273 2HD PRO 36 HD3 PRO 36 3.947 8.941 7.234 274 H ALA 37 H ALA 37 1.535 6.262 5.244 275 HA ALA 37 HA ALA 37 -1.068 4.922 4.932 276 1HB ALA 37 HB1 ALA 37 -1.401 5.864 2.683 277 2HB ALA 37 HB2 ALA 37 -1.294 7.185 3.854 278 3HB ALA 37 HB3 ALA 37 0.103 6.807 2.823 279 H ALA 38 H ALA 38 -0.710 3.949 2.402 280 HA ALA 38 HA ALA 38 1.989 2.801 2.095 281 1HB ALA 38 HB1 ALA 38 -0.529 1.106 2.135 282 2HB ALA 38 HB2 ALA 38 1.120 0.574 1.715 283 3HB ALA 38 HB3 ALA 38 0.758 1.101 3.370 284 H GLU 39 H GLU 39 1.372 4.901 0.729 285 HA GLU 39 HA GLU 39 0.085 4.198 -1.829 286 1HB GLU 39 HB2 GLU 39 1.381 6.774 -0.816 287 2HB GLU 39 HB3 GLU 39 0.659 6.559 -2.416 288 1HG GLU 39 HG2 GLU 39 -1.526 5.998 -1.324 289 2HG GLU 39 HG3 GLU 39 -0.813 6.383 0.244 290 H SER 40 H SER 40 1.706 5.289 -3.702 291 HA SER 40 HA SER 40 4.465 4.482 -3.215 292 1HB SER 40 HB2 SER 40 3.086 3.488 -5.713 293 2HB SER 40 HB3 SER 40 4.686 3.073 -5.098 294 HG SER 40 HG SER 40 2.170 2.358 -3.984 295 H LYS 41 H LYS 41 5.933 5.345 -4.810 296 HA LYS 41 HA LYS 41 5.046 7.494 -6.616 297 1HB LYS 41 HB2 LYS 41 5.091 8.734 -4.625 298 2HB LYS 41 HB3 LYS 41 6.453 7.835 -3.968 299 1HG LYS 41 HG2 LYS 41 7.064 9.586 -6.312 300 2HG LYS 41 HG3 LYS 41 6.601 10.369 -4.794 301 1HD LYS 41 HD2 LYS 41 8.330 9.182 -3.546 302 2HD LYS 41 HD3 LYS 41 8.807 8.296 -4.992 303 1HE LYS 41 HE2 LYS 41 10.359 10.093 -4.495 304 2HE LYS 41 HE3 LYS 41 9.579 10.330 -6.071 305 1HZ LYS 41 HZ1 LYS 41 9.843 12.277 -4.370 306 2HZ LYS 41 HZ2 LYS 41 8.554 12.170 -5.376 307 3HZ LYS 41 HZ3 LYS 41 8.438 11.715 -3.760 308 H GLU 42 H GLU 42 6.763 8.014 -8.063 309 HA GLU 42 HA GLU 42 8.896 5.920 -8.193 310 1HB GLU 42 HB2 GLU 42 7.317 7.431 -10.305 311 2HB GLU 42 HB3 GLU 42 8.941 6.855 -10.652 312 1HG GLU 42 HG2 GLU 42 7.524 5.201 -11.474 313 2HG GLU 42 HG3 GLU 42 8.265 4.537 -10.025 314 H ILE 43 H ILE 43 11.020 6.532 -8.705 315 HA ILE 43 HA ILE 43 11.572 9.426 -8.897 316 HB ILE 43 HB ILE 43 13.655 9.103 -7.597 317 1HG1 ILE 43 HG12 ILE 43 12.497 6.373 -6.888 318 2HG1 ILE 43 HG13 ILE 43 13.978 6.696 -7.797 319 1HG2 ILE 43 HG21 ILE 43 11.211 8.376 -5.958 320 2HG2 ILE 43 HG22 ILE 43 12.617 9.362 -5.470 321 3HG2 ILE 43 HG23 ILE 43 11.502 9.980 -6.685 322 1HD1 ILE 43 HD11 ILE 43 13.499 7.369 -4.856 323 2HD1 ILE 43 HD12 ILE 43 14.469 6.052 -5.488 324 3HD1 ILE 43 HD13 ILE 43 14.981 7.730 -5.771 325 H VAL 44 H VAL 44 13.439 9.947 -10.030 326 HA VAL 44 HA VAL 44 14.180 7.933 -12.117 327 HB VAL 44 HB VAL 44 13.847 10.960 -12.344 328 1HG1 VAL 44 HG11 VAL 44 14.168 8.862 -14.521 329 2HG1 VAL 44 HG12 VAL 44 13.952 10.601 -14.762 330 3HG1 VAL 44 HG13 VAL 44 15.429 10.002 -13.996 331 1HG2 VAL 44 HG21 VAL 44 11.619 9.981 -11.999 332 2HG2 VAL 44 HG22 VAL 44 11.824 10.549 -13.650 333 3HG2 VAL 44 HG23 VAL 44 11.928 8.808 -13.300 334 H ARG 45 H ARG 45 16.321 7.385 -11.854 335 HA ARG 45 HA ARG 45 18.233 9.506 -11.020 336 1HB ARG 45 HB2 ARG 45 18.153 6.683 -9.870 337 2HB ARG 45 HB3 ARG 45 19.390 7.885 -9.541 338 1HG ARG 45 HG2 ARG 45 16.468 8.029 -8.693 339 2HG ARG 45 HG3 ARG 45 17.853 7.654 -7.669 340 1HD ARG 45 HD2 ARG 45 18.748 9.898 -7.904 341 2HD ARG 45 HD3 ARG 45 17.490 10.335 -9.041 342 HE ARG 45 HE ARG 45 15.932 10.526 -7.357 343 1HH1 ARG 45 HH21 ARG 45 18.964 9.297 -6.004 344 2HH1 ARG 45 HH22 ARG 45 18.440 9.372 -4.363 345 1HH2 ARG 45 HH11 ARG 45 15.229 10.700 -5.173 346 2HH2 ARG 45 HH12 ARG 45 16.256 10.156 -3.888 347 H GLY 46 H GLY 46 20.306 9.251 -11.964 348 1HA GLY 46 HA2 GLY 46 21.185 6.936 -13.332 349 2HA GLY 46 HA3 GLY 46 20.416 8.028 -14.497 350 H TYR 47 H TYR 47 23.318 7.183 -13.833 351 HA TYR 47 HA TYR 47 24.532 9.819 -14.116 352 1HB TYR 47 HB2 TYR 47 25.447 8.080 -11.805 353 2HB TYR 47 HB3 TYR 47 25.875 9.746 -12.131 354 HD1 TYR 47 HD1 TYR 47 24.498 11.569 -11.202 355 HD2 TYR 47 HD2 TYR 47 23.265 7.453 -10.862 356 HE1 TYR 47 HE1 TYR 47 22.848 12.211 -9.476 357 HE2 TYR 47 HE2 TYR 47 21.622 8.080 -9.119 358 HH TYR 47 HH TYR 47 21.271 11.464 -7.957 359 H LYS 48 H LYS 48 26.767 9.596 -14.837 360 HA LYS 48 HA LYS 48 27.265 7.270 -16.358 361 1HB LYS 48 HB2 LYS 48 29.503 8.201 -16.761 362 2HB LYS 48 HB3 LYS 48 28.218 9.387 -16.980 363 1HG LYS 48 HG2 LYS 48 28.727 10.364 -14.755 364 2HG LYS 48 HG3 LYS 48 30.014 9.180 -14.515 365 1HD LYS 48 HD2 LYS 48 31.340 10.068 -16.269 366 2HD LYS 48 HD3 LYS 48 30.016 11.024 -16.943 367 1HE LYS 48 HE2 LYS 48 31.010 11.508 -14.114 368 2HE LYS 48 HE3 LYS 48 31.860 12.207 -15.497 369 1HZ LYS 48 HZ1 LYS 48 28.957 12.647 -15.066 370 2HZ LYS 48 HZ2 LYS 48 30.120 13.659 -14.494 371 3HZ LYS 48 HZ3 LYS 48 29.950 13.428 -16.098 372 H TRP 49 H TRP 49 28.108 7.846 -12.947 373 HA TRP 49 HA TRP 49 30.082 5.766 -12.870 374 1HB TRP 49 HB2 TRP 49 29.686 5.803 -10.399 375 2HB TRP 49 HB3 TRP 49 30.236 7.280 -11.149 376 HD1 TRP 49 HD1 TRP 49 29.076 9.397 -10.477 377 HE1 TRP 49 HE1 TRP 49 27.025 10.049 -9.115 378 HE3 TRP 49 HE3 TRP 49 26.941 4.760 -9.943 379 HZ2 TRP 49 HZ2 TRP 49 24.733 8.727 -7.919 380 HZ3 TRP 49 HZ3 TRP 49 24.770 4.518 -8.820 381 HH2 TRP 49 HH2 TRP 49 23.633 6.498 -7.807 382 H ALA 50 H ALA 50 26.527 5.626 -12.863 383 HA ALA 50 HA ALA 50 26.594 2.770 -12.137 384 1HB ALA 50 HB1 ALA 50 24.721 3.982 -11.287 385 2HB ALA 50 HB2 ALA 50 24.298 4.597 -12.913 386 3HB ALA 50 HB3 ALA 50 24.182 2.858 -12.538 387 H GLU 51 H GLU 51 28.128 2.303 -13.839 388 HA GLU 51 HA GLU 51 27.489 2.549 -16.609 389 1HB GLU 51 HB2 GLU 51 29.236 0.499 -15.159 390 2HB GLU 51 HB3 GLU 51 29.222 0.777 -16.906 391 1HG GLU 51 HG2 GLU 51 29.913 3.151 -16.498 392 2HG GLU 51 HG3 GLU 51 30.051 2.781 -14.773 393 H TYR 52 H TYR 52 25.844 0.744 -14.272 394 HA TYR 52 HA TYR 52 24.422 -0.775 -16.304 395 1HB TYR 52 HB2 TYR 52 24.368 -2.729 -14.560 396 2HB TYR 52 HB3 TYR 52 25.618 -2.613 -15.782 397 HD1 TYR 52 HD1 TYR 52 27.865 -1.645 -15.195 398 HD2 TYR 52 HD2 TYR 52 24.987 -2.818 -12.225 399 HE1 TYR 52 HE1 TYR 52 29.688 -1.783 -13.505 400 HE2 TYR 52 HE2 TYR 52 26.784 -2.979 -10.524 401 HH TYR 52 HH TYR 52 30.226 -2.257 -11.285 402 H HIS 53 H HIS 53 22.248 -0.906 -15.758 403 HA HIS 53 HA HIS 53 21.198 1.103 -14.115 404 1HB HIS 53 HB2 HIS 53 19.653 -1.372 -14.957 405 2HB HIS 53 HB3 HIS 53 19.041 0.259 -14.711 406 HD1 HIS 53 HD1 HIS 53 19.245 1.920 -16.856 407 HD2 HIS 53 HD2 HIS 53 21.049 -1.877 -17.240 408 HE1 HIS 53 HE1 HIS 53 19.929 1.653 -19.309 409 H ALA 54 H ALA 54 21.829 -2.313 -13.382 410 HA ALA 54 HA ALA 54 20.385 -2.492 -10.957 411 1HB ALA 54 HB1 ALA 54 21.896 -4.354 -10.420 412 2HB ALA 54 HB2 ALA 54 21.353 -4.445 -12.105 413 3HB ALA 54 HB3 ALA 54 22.995 -3.870 -11.726 414 H ASP 55 H ASP 55 23.466 -0.822 -11.631 415 HA ASP 55 HA ASP 55 24.401 -0.828 -8.921 416 1HB ASP 55 HB2 ASP 55 25.774 -0.250 -11.015 417 2HB ASP 55 HB3 ASP 55 24.968 1.295 -11.020 418 H ILE 56 H ILE 56 22.525 1.559 -10.843 419 HA ILE 56 HA ILE 56 22.230 3.396 -8.644 420 HB ILE 56 HB ILE 56 20.072 3.999 -10.205 421 1HG1 ILE 56 HG12 ILE 56 21.969 2.621 -12.114 422 2HG1 ILE 56 HG13 ILE 56 20.211 2.503 -11.943 423 1HG2 ILE 56 HG21 ILE 56 21.349 5.871 -10.958 424 2HG2 ILE 56 HG22 ILE 56 21.724 5.475 -9.289 425 3HG2 ILE 56 HG23 ILE 56 22.874 5.032 -10.575 426 1HD1 ILE 56 HD11 ILE 56 20.071 4.841 -12.815 427 2HD1 ILE 56 HD12 ILE 56 21.838 4.808 -13.078 428 3HD1 ILE 56 HD13 ILE 56 20.791 3.681 -13.957 429 H TYR 57 H TYR 57 20.155 0.732 -9.951 430 HA TYR 57 HA TYR 57 17.956 1.311 -8.264 431 1HB TYR 57 HB2 TYR 57 17.763 -0.324 -10.060 432 2HB TYR 57 HB3 TYR 57 18.990 -1.356 -9.325 433 HD1 TYR 57 HD1 TYR 57 15.835 0.375 -8.199 434 HD2 TYR 57 HD2 TYR 57 18.155 -3.255 -8.208 435 HE1 TYR 57 HE1 TYR 57 14.164 -0.665 -6.733 436 HE2 TYR 57 HE2 TYR 57 16.454 -4.348 -6.783 437 HH TYR 57 HH TYR 57 13.556 -2.645 -5.537 438 H ASP 58 H ASP 58 20.857 -0.801 -7.639 439 HA ASP 58 HA ASP 58 20.065 -1.535 -5.017 440 1HB ASP 58 HB2 ASP 58 21.743 -2.783 -6.262 441 2HB ASP 58 HB3 ASP 58 22.821 -1.383 -6.287 442 H LYS 59 H LYS 59 22.303 1.079 -6.134 443 HA LYS 59 HA LYS 59 23.050 2.047 -3.585 444 1HB LYS 59 HB2 LYS 59 24.248 2.711 -5.511 445 2HB LYS 59 HB3 LYS 59 22.818 3.349 -6.321 446 1HG LYS 59 HG2 LYS 59 22.871 5.354 -5.260 447 2HG LYS 59 HG3 LYS 59 23.449 4.673 -3.723 448 1HD LYS 59 HD2 LYS 59 25.713 4.458 -4.554 449 2HD LYS 59 HD3 LYS 59 25.213 4.914 -6.178 450 1HE LYS 59 HE2 LYS 59 26.277 6.821 -5.217 451 2HE LYS 59 HE3 LYS 59 24.554 7.178 -5.341 452 1HZ LYS 59 HZ1 LYS 59 25.951 6.337 -2.860 453 2HZ LYS 59 HZ2 LYS 59 25.483 7.855 -3.209 454 3HZ LYS 59 HZ3 LYS 59 24.358 6.706 -2.961 455 H VAL 60 H VAL 60 20.382 3.163 -5.729 456 HA VAL 60 HA VAL 60 19.535 5.165 -3.864 457 HB VAL 60 HB VAL 60 18.182 3.945 -6.300 458 1HG1 VAL 60 HG11 VAL 60 16.522 4.993 -4.768 459 2HG1 VAL 60 HG12 VAL 60 17.502 6.456 -4.688 460 3HG1 VAL 60 HG13 VAL 60 16.752 5.970 -6.234 461 1HG2 VAL 60 HG21 VAL 60 20.401 5.190 -6.654 462 2HG2 VAL 60 HG22 VAL 60 19.011 5.817 -7.509 463 3HG2 VAL 60 HG23 VAL 60 19.593 6.633 -6.028 464 H SER 61 H SER 61 18.281 1.800 -4.584 465 HA SER 61 HA SER 61 16.174 2.038 -2.686 466 1HB SER 61 HB2 SER 61 17.579 -0.501 -3.577 467 2HB SER 61 HB3 SER 61 15.976 -0.365 -2.822 468 HG SER 61 HG SER 61 16.862 0.386 -5.365 469 H GLY 62 H GLY 62 19.643 1.379 -2.235 470 1HA GLY 62 HA2 GLY 62 19.548 0.435 0.451 471 2HA GLY 62 HA3 GLY 62 20.867 1.347 -0.316 472 H ASP 63 H ASP 63 19.768 3.815 -0.897 473 HA ASP 63 HA ASP 63 19.590 5.026 1.689 474 1HB ASP 63 HB2 ASP 63 20.525 6.220 -0.252 475 2HB ASP 63 HB3 ASP 63 18.926 6.252 -0.990 476 H MET 64 H MET 64 17.056 4.369 -0.847 477 HA MET 64 HA MET 64 14.891 5.438 0.621 478 1HB MET 64 HB2 MET 64 14.922 2.916 -1.081 479 2HB MET 64 HB3 MET 64 13.493 3.822 -0.626 480 1HG MET 64 HG2 MET 64 15.657 4.920 -2.429 481 2HG MET 64 HG3 MET 64 14.105 4.276 -2.922 482 1HE MET 64 HE1 MET 64 16.034 7.386 -2.369 483 2HE MET 64 HE2 MET 64 15.027 8.451 -1.359 484 3HE MET 64 HE3 MET 64 15.801 7.035 -0.637 485 H GLN 65 H GLN 65 16.318 2.102 0.957 486 HA GLN 65 HA GLN 65 14.483 1.374 3.021 487 1HB GLN 65 HB2 GLN 65 17.157 0.342 2.037 488 2HB GLN 65 HB3 GLN 65 16.376 -0.388 3.443 489 1HG GLN 65 HG2 GLN 65 14.441 -1.035 2.174 490 2HG GLN 65 HG3 GLN 65 14.966 -0.117 0.759 491 1HE2 GLN 65 HE22 GLN 65 17.139 -0.772 -0.161 492 2HE2 GLN 65 HE21 GLN 65 17.517 -2.493 -0.217 493 H LYS 66 H LYS 66 17.611 3.123 3.123 494 HA LYS 66 HA LYS 66 17.973 3.027 5.970 495 1HB LYS 66 HB2 LYS 66 19.676 3.720 4.275 496 2HB LYS 66 HB3 LYS 66 18.697 5.129 3.904 497 1HG LYS 66 HG2 LYS 66 19.029 5.672 6.485 498 2HG LYS 66 HG3 LYS 66 20.449 4.635 6.272 499 1HD LYS 66 HD2 LYS 66 19.689 7.114 4.663 500 2HD LYS 66 HD3 LYS 66 20.991 7.010 5.859 501 1HE LYS 66 HE2 LYS 66 22.223 5.433 4.402 502 2HE LYS 66 HE3 LYS 66 20.897 5.457 3.218 503 1HZ LYS 66 HZ1 LYS 66 22.410 7.882 3.953 504 2HZ LYS 66 HZ2 LYS 66 22.749 6.949 2.656 505 3HZ LYS 66 HZ3 LYS 66 21.297 7.697 2.741 506 H GLN 67 H GLN 67 16.163 5.277 3.772 507 HA GLN 67 HA GLN 67 15.056 6.852 5.907 508 1HB GLN 67 HB2 GLN 67 13.910 6.352 3.123 509 2HB GLN 67 HB3 GLN 67 13.389 7.582 4.272 510 1HG GLN 67 HG2 GLN 67 15.757 8.524 4.214 511 2HG GLN 67 HG3 GLN 67 16.107 7.380 2.921 512 1HE2 GLN 67 HE22 GLN 67 16.428 8.737 1.146 513 2HE2 GLN 67 HE21 GLN 67 15.221 9.898 0.620 514 H GLY 68 H GLY 68 14.090 3.800 4.425 515 1HA GLY 68 HA2 GLY 68 13.297 2.242 6.260 516 2HA GLY 68 HA3 GLY 68 11.984 3.393 6.511 517 H CYS 69 H CYS 69 12.545 3.488 3.262 518 HA CYS 69 HA CYS 69 9.950 2.511 2.664 519 1HB CYS 69 HB2 CYS 69 12.291 3.290 0.918 520 2HB CYS 69 HB3 CYS 69 10.617 3.171 0.373 521 HG CYS 69 HG CYS 69 11.314 5.692 0.607 522 H ASP 70 H ASP 70 9.679 1.204 0.563 523 HA ASP 70 HA ASP 70 11.530 -1.074 0.237 524 1HB ASP 70 HB2 ASP 70 9.616 -1.966 1.506 525 2HB ASP 70 HB3 ASP 70 8.490 -1.239 0.353 526 H CYS 71 H CYS 71 11.559 -1.719 -2.073 527 HA CYS 71 HA CYS 71 10.445 0.355 -3.887 528 1HB CYS 71 HB2 CYS 71 13.399 -0.403 -3.593 529 2HB CYS 71 HB3 CYS 71 12.736 0.703 -4.792 530 HG CYS 71 HG CYS 71 11.711 2.378 -3.070 531 H GLU 72 H GLU 72 10.812 -0.058 -6.183 532 HA GLU 72 HA GLU 72 11.756 -2.727 -7.031 533 1HB GLU 72 HB2 GLU 72 8.957 -1.632 -7.588 534 2HB GLU 72 HB3 GLU 72 9.696 -2.916 -8.525 535 1HG GLU 72 HG2 GLU 72 8.975 -3.039 -5.572 536 2HG GLU 72 HG3 GLU 72 8.091 -3.766 -6.903 537 H CYS 73 H CYS 73 13.012 -2.379 -8.890 538 HA CYS 73 HA CYS 73 12.909 0.175 -10.319 539 1HB CYS 73 HB2 CYS 73 14.397 -1.216 -11.960 540 2HB CYS 73 HB3 CYS 73 15.089 -0.698 -10.436 541 HG CYS 73 HG CYS 73 15.730 -3.223 -11.225 542 H LEU 74 H LEU 74 11.202 0.597 -11.604 543 HA LEU 74 HA LEU 74 9.366 -1.493 -12.482 544 1HB LEU 74 HB2 LEU 74 9.574 1.447 -13.267 545 2HB LEU 74 HB3 LEU 74 8.251 0.359 -13.674 546 HG LEU 74 HG LEU 74 9.009 1.359 -10.899 547 1HD1 LEU 74 HD11 LEU 74 6.500 1.728 -12.592 548 2HD1 LEU 74 HD12 LEU 74 6.795 2.409 -10.981 549 3HD1 LEU 74 HD13 LEU 74 7.779 2.935 -12.356 550 1HD2 LEU 74 HD21 LEU 74 6.889 -0.697 -11.673 551 2HD2 LEU 74 HD22 LEU 74 8.269 -0.932 -10.570 552 3HD2 LEU 74 HD23 LEU 74 6.949 0.139 -10.109 553 H GLY 75 H GLY 75 12.178 0.166 -13.782 554 1HA GLY 75 HA2 GLY 75 12.934 -1.727 -15.618 555 2HA GLY 75 HA3 GLY 75 11.916 -0.605 -16.533 556 H GLY 76 H GLY 76 14.143 -0.199 -17.589 557 1HA GLY 76 HA2 GLY 76 15.039 2.361 -16.578 558 2HA GLY 76 HA3 GLY 76 16.304 1.120 -16.495 559 H GLY 77 H GLY 77 17.148 2.903 -18.031 560 1HA GLY 77 HA2 GLY 77 17.217 2.018 -20.738 561 2HA GLY 77 HA3 GLY 77 16.137 3.418 -20.573 562 H ARG 78 H ARG 78 17.736 4.684 -21.810 563 HA ARG 78 HA ARG 78 20.087 5.505 -20.181 564 1HB ARG 78 HB2 ARG 78 20.747 3.892 -21.898 565 2HB ARG 78 HB3 ARG 78 19.992 4.884 -23.159 566 1HG ARG 78 HG2 ARG 78 21.664 6.640 -22.838 567 2HG ARG 78 HG3 ARG 78 22.292 5.822 -21.401 568 1HD ARG 78 HD2 ARG 78 23.771 5.489 -23.305 569 2HD ARG 78 HD3 ARG 78 23.132 3.967 -22.712 570 HE ARG 78 HE ARG 78 22.496 5.351 -25.262 571 1HH1 ARG 78 HH11 ARG 78 21.836 2.485 -23.210 572 2HH1 ARG 78 HH12 ARG 78 21.011 1.648 -24.498 573 1HH2 ARG 78 HH21 ARG 78 21.655 4.071 -26.943 574 2HH2 ARG 78 HH22 ARG 78 21.179 2.410 -26.628 575 H ILE 79 H ILE 79 20.823 7.612 -20.594 576 HA ILE 79 HA ILE 79 18.739 9.484 -21.554 577 HB ILE 79 HB ILE 79 20.302 9.305 -18.948 578 1HG1 ILE 79 HG12 ILE 79 17.381 9.751 -19.724 579 2HG1 ILE 79 HG13 ILE 79 18.080 8.308 -19.001 580 1HG2 ILE 79 HG21 ILE 79 19.640 11.655 -18.420 581 2HG2 ILE 79 HG22 ILE 79 20.758 11.587 -19.764 582 3HG2 ILE 79 HG23 ILE 79 19.026 11.833 -20.077 583 1HD1 ILE 79 HD11 ILE 79 16.865 9.440 -17.289 584 2HD1 ILE 79 HD12 ILE 79 18.586 9.709 -16.930 585 3HD1 ILE 79 HD13 ILE 79 17.603 10.998 -17.665 586 H SER 80 H SER 80 19.519 11.228 -22.629 587 HA SER 80 HA SER 80 22.432 11.569 -23.062 588 1HB SER 80 HB2 SER 80 20.328 11.400 -25.271 589 2HB SER 80 HB3 SER 80 22.061 11.694 -25.485 590 HG SER 80 HG SER 80 21.484 9.520 -25.887 591 H HIS 81 H HIS 81 22.816 13.732 -24.129 592 HA HIS 81 HA HIS 81 20.601 15.678 -23.916 593 1HB HIS 81 HB2 HIS 81 21.842 15.880 -21.802 594 2HB HIS 81 HB3 HIS 81 23.369 15.947 -22.676 595 HD1 HIS 81 HD1 HIS 81 24.233 18.315 -23.176 596 HD2 HIS 81 HD2 HIS 81 20.070 18.117 -22.547 597 HE1 HIS 81 HE1 HIS 81 23.350 20.701 -23.380 598 H GLN 82 H GLN 82 21.122 17.656 -25.162 599 HA GLN 82 HA GLN 82 23.102 17.372 -27.307 600 1HB GLN 82 HB2 GLN 82 21.445 17.555 -29.077 601 2HB GLN 82 HB3 GLN 82 21.174 16.115 -28.107 602 1HG GLN 82 HG2 GLN 82 19.435 17.736 -26.845 603 2HG GLN 82 HG3 GLN 82 19.477 18.576 -28.383 604 1HE2 GLN 82 HE22 GLN 82 17.786 16.299 -26.684 605 2HE2 GLN 82 HE21 GLN 82 17.147 15.338 -28.010 606 H SER 83 H SER 83 24.160 19.206 -26.572 607 HA SER 83 HA SER 83 22.945 21.574 -25.660 608 1HB SER 83 HB2 SER 83 25.636 21.269 -27.045 609 2HB SER 83 HB3 SER 83 25.161 22.523 -25.883 610 HG SER 83 HG SER 83 26.373 20.813 -24.919 611 H GLN 84 H GLN 84 22.975 20.354 -28.862 612 HA GLN 84 HA GLN 84 22.814 22.774 -30.374 613 1HB GLN 84 HB2 GLN 84 21.548 20.025 -30.834 614 2HB GLN 84 HB3 GLN 84 21.625 21.330 -32.008 615 1HG GLN 84 HG2 GLN 84 23.358 19.874 -32.622 616 2HG GLN 84 HG3 GLN 84 24.140 21.260 -31.877 617 1HE2 GLN 84 HE22 GLN 84 26.022 19.719 -31.723 618 2HE2 GLN 84 HE21 GLN 84 26.087 18.620 -30.370 619 H ASP 85 H ASP 85 20.502 21.110 -28.231 620 HA ASP 85 HA ASP 85 18.455 23.177 -28.878 621 1HB ASP 85 HB2 ASP 85 18.142 21.039 -30.202 622 2HB ASP 85 HB3 ASP 85 17.875 20.207 -28.670 623 H LYS 86 H LYS 86 20.214 21.692 -26.445 624 HA LYS 86 HA LYS 86 20.107 21.631 -24.202 625 1HB LYS 86 HB2 LYS 86 18.400 24.121 -24.572 626 2HB LYS 86 HB3 LYS 86 18.985 23.517 -23.029 627 1HG LYS 86 HG2 LYS 86 20.465 25.203 -23.564 628 2HG LYS 86 HG3 LYS 86 21.346 23.705 -23.869 629 1HD LYS 86 HD2 LYS 86 20.982 23.988 -26.300 630 2HD LYS 86 HD3 LYS 86 20.012 25.444 -26.005 631 1HE LYS 86 HE2 LYS 86 21.937 26.610 -25.081 632 2HE LYS 86 HE3 LYS 86 22.900 25.125 -25.083 633 1HZ LYS 86 HZ1 LYS 86 22.829 25.110 -27.474 634 2HZ LYS 86 HZ2 LYS 86 21.925 26.487 -27.523 635 3HZ LYS 86 HZ3 LYS 86 23.455 26.532 -26.957 636 H LYS 87 H LYS 87 18.809 19.625 -25.028 637 HA LYS 87 HA LYS 87 16.340 19.402 -23.411 638 1HB LYS 87 HB2 LYS 87 15.614 20.186 -25.611 639 2HB LYS 87 HB3 LYS 87 16.541 18.911 -26.411 640 1HG LYS 87 HG2 LYS 87 15.019 17.208 -25.329 641 2HG LYS 87 HG3 LYS 87 14.128 18.549 -24.587 642 1HD LYS 87 HD2 LYS 87 12.876 17.999 -26.520 643 2HD LYS 87 HD3 LYS 87 13.755 19.471 -26.924 644 1HE LYS 87 HE2 LYS 87 15.573 17.709 -27.833 645 2HE LYS 87 HE3 LYS 87 14.175 16.628 -27.890 646 1HZ LYS 87 HZ1 LYS 87 14.466 19.253 -29.234 647 2HZ LYS 87 HZ2 LYS 87 14.468 17.792 -29.981 648 3HZ LYS 87 HZ3 LYS 87 13.088 18.343 -29.299 649 H ILE 88 H ILE 88 17.167 17.853 -22.043 650 HA ILE 88 HA ILE 88 18.688 15.587 -22.875 651 HB ILE 88 HB ILE 88 17.165 16.402 -20.444 652 1HG1 ILE 88 HG12 ILE 88 19.873 15.101 -20.820 653 2HG1 ILE 88 HG13 ILE 88 19.563 16.840 -20.808 654 1HG2 ILE 88 HG21 ILE 88 17.864 13.478 -20.859 655 2HG2 ILE 88 HG22 ILE 88 17.301 14.208 -19.339 656 3HG2 ILE 88 HG23 ILE 88 16.221 14.128 -20.718 657 1HD1 ILE 88 HD11 ILE 88 20.396 16.252 -18.655 658 2HD1 ILE 88 HD12 ILE 88 18.670 16.618 -18.464 659 3HD1 ILE 88 HD13 ILE 88 19.240 14.929 -18.471 660 H HIS 89 H HIS 89 18.010 13.400 -23.220 661 HA HIS 89 HA HIS 89 15.205 13.020 -24.074 662 1HB HIS 89 HB2 HIS 89 16.691 13.617 -26.038 663 2HB HIS 89 HB3 HIS 89 17.608 12.144 -25.716 664 HD1 HIS 89 HD1 HIS 89 14.124 13.297 -26.927 665 HD2 HIS 89 HD2 HIS 89 16.523 9.845 -26.574 666 HE1 HIS 89 HE1 HIS 89 12.967 11.462 -28.277 667 H VAL 90 H VAL 90 14.558 10.783 -23.953 668 HA VAL 90 HA VAL 90 16.323 9.017 -22.320 669 HB VAL 90 HB VAL 90 13.312 9.305 -21.993 670 1HG1 VAL 90 HG11 VAL 90 15.443 8.204 -20.113 671 2HG1 VAL 90 HG12 VAL 90 13.685 8.213 -19.843 672 3HG1 VAL 90 HG13 VAL 90 14.382 7.229 -21.144 673 1HG2 VAL 90 HG21 VAL 90 15.429 10.795 -20.391 674 2HG2 VAL 90 HG22 VAL 90 14.127 11.503 -21.373 675 3HG2 VAL 90 HG23 VAL 90 13.727 10.609 -19.910 676 H TYR 91 H TYR 91 16.470 6.914 -23.175 677 HA TYR 91 HA TYR 91 14.445 5.855 -24.972 678 1HB TYR 91 HB2 TYR 91 15.595 5.889 -26.981 679 2HB TYR 91 HB3 TYR 91 15.747 7.521 -26.401 680 HD1 TYR 91 HD1 TYR 91 18.139 7.344 -24.539 681 HD2 TYR 91 HD2 TYR 91 17.399 5.535 -28.392 682 HE1 TYR 91 HE1 TYR 91 20.555 7.204 -24.927 683 HE2 TYR 91 HE2 TYR 91 19.828 5.446 -28.814 684 HH TYR 91 HH TYR 91 21.964 6.063 -28.026 685 H GLY 92 H GLY 92 15.619 3.771 -26.142 686 1HA GLY 92 HA2 GLY 92 16.755 1.794 -25.876 687 2HA GLY 92 HA3 GLY 92 17.721 2.523 -24.590 688 H TYR 93 H TYR 93 17.393 0.254 -23.698 689 HA TYR 93 HA TYR 93 15.289 0.375 -21.704 690 1HB TYR 93 HB2 TYR 93 14.407 -1.844 -22.124 691 2HB TYR 93 HB3 TYR 93 14.081 -0.773 -23.473 692 HD1 TYR 93 HD1 TYR 93 15.882 -3.796 -22.356 693 HD2 TYR 93 HD2 TYR 93 15.076 -1.165 -25.682 694 HE1 TYR 93 HE1 TYR 93 16.706 -5.527 -23.920 695 HE2 TYR 93 HE2 TYR 93 15.872 -2.892 -27.252 696 HH TYR 93 HH TYR 93 16.740 -5.048 -27.487 697 H SER 94 H SER 94 15.847 -0.853 -19.848 698 HA SER 94 HA SER 94 18.666 -1.495 -19.633 699 1HB SER 94 HB2 SER 94 18.217 -2.039 -17.352 700 2HB SER 94 HB3 SER 94 17.362 -0.553 -17.752 701 HG SER 94 HG SER 94 15.441 -1.966 -18.008 702 H MET 95 H MET 95 19.680 -3.458 -19.893 703 HA MET 95 HA MET 95 18.156 -5.765 -20.776 704 1HB MET 95 HB2 MET 95 20.244 -6.957 -20.732 705 2HB MET 95 HB3 MET 95 20.452 -5.413 -21.530 706 1HG MET 95 HG2 MET 95 21.335 -6.125 -18.705 707 2HG MET 95 HG3 MET 95 22.367 -6.027 -20.117 708 1HE MET 95 HE1 MET 95 21.336 -3.284 -21.550 709 2HE MET 95 HE2 MET 95 22.492 -2.148 -20.837 710 3HE MET 95 HE3 MET 95 23.039 -3.756 -21.364 711 H ALA 96 H ALA 96 19.206 -4.462 -17.684 712 HA ALA 96 HA ALA 96 19.009 -6.862 -16.156 713 1HB ALA 96 HB1 ALA 96 19.125 -5.329 -14.227 714 2HB ALA 96 HB2 ALA 96 20.333 -4.902 -15.451 715 3HB ALA 96 HB3 ALA 96 18.843 -3.938 -15.288 716 H TYR 97 H TYR 97 16.638 -4.165 -16.739 717 HA TYR 97 HA TYR 97 14.569 -5.800 -15.345 718 1HB TYR 97 HB2 TYR 97 14.948 -2.799 -15.154 719 2HB TYR 97 HB3 TYR 97 13.835 -3.792 -14.226 720 HD1 TYR 97 HD1 TYR 97 15.241 -5.925 -13.040 721 HD2 TYR 97 HD2 TYR 97 16.717 -1.957 -13.876 722 HE1 TYR 97 HE1 TYR 97 16.952 -6.205 -11.284 723 HE2 TYR 97 HE2 TYR 97 18.407 -2.210 -12.083 724 HH TYR 97 HH TYR 97 18.719 -5.237 -10.150 725 H GLY 98 H GLY 98 15.293 -4.539 -18.357 726 1HA GLY 98 HA2 GLY 98 13.912 -4.566 -20.210 727 2HA GLY 98 HA3 GLY 98 12.482 -4.691 -19.179 728 HA PRO 99 HA PRO 99 12.947 -0.284 -20.733 729 1HB PRO 99 HB2 PRO 99 10.494 -0.078 -21.986 730 2HB PRO 99 HB3 PRO 99 11.969 -0.653 -22.803 731 1HG PRO 99 HG2 PRO 99 9.735 -2.298 -21.605 732 2HG PRO 99 HG3 PRO 99 10.573 -2.529 -23.171 733 1HD PRO 99 HD2 PRO 99 11.201 -3.969 -20.932 734 2HD PRO 99 HD3 PRO 99 12.444 -3.503 -22.131 735 H ALA 100 H ALA 100 12.352 1.270 -19.334 736 HA ALA 100 HA ALA 100 10.276 0.857 -17.287 737 1HB ALA 100 HB1 ALA 100 12.309 2.208 -16.774 738 2HB ALA 100 HB2 ALA 100 11.953 3.240 -18.172 739 3HB ALA 100 HB3 ALA 100 10.887 3.251 -16.762 740 H GLN 101 H GLN 101 8.585 2.624 -17.080 741 HA GLN 101 HA GLN 101 7.294 3.285 -19.658 742 1HB GLN 101 HB2 GLN 101 6.574 3.929 -16.759 743 2HB GLN 101 HB3 GLN 101 5.660 4.484 -18.166 744 1HG GLN 101 HG2 GLN 101 6.055 1.613 -17.277 745 2HG GLN 101 HG3 GLN 101 4.586 2.602 -17.145 746 1HE2 GLN 101 HE22 GLN 101 3.589 3.385 -19.261 747 2HE2 GLN 101 HE21 GLN 101 3.710 2.333 -20.648 748 H HIS 102 H HIS 102 9.229 4.425 -20.417 749 HA HIS 102 HA HIS 102 10.502 6.519 -19.117 750 1HB HIS 102 HB2 HIS 102 9.972 6.077 -22.064 751 2HB HIS 102 HB3 HIS 102 11.138 7.256 -21.447 752 HD1 HIS 102 HD1 HIS 102 11.051 3.675 -22.483 753 HD2 HIS 102 HD2 HIS 102 12.936 6.028 -19.563 754 HE1 HIS 102 HE1 HIS 102 12.996 2.293 -21.588 755 H ALA 103 H ALA 103 7.316 6.608 -20.525 756 HA ALA 103 HA ALA 103 6.803 9.351 -20.778 757 1HB ALA 103 HB1 ALA 103 5.067 7.076 -19.667 758 2HB ALA 103 HB2 ALA 103 4.466 8.668 -20.188 759 3HB ALA 103 HB3 ALA 103 5.203 7.574 -21.374 760 H ILE 104 H ILE 104 6.911 7.302 -17.811 761 HA ILE 104 HA ILE 104 6.017 9.301 -15.951 762 HB ILE 104 HB ILE 104 7.918 6.962 -15.501 763 1HG1 ILE 104 HG12 ILE 104 5.721 6.204 -16.473 764 2HG1 ILE 104 HG13 ILE 104 6.169 5.520 -14.923 765 1HG2 ILE 104 HG21 ILE 104 8.034 8.463 -13.628 766 2HG2 ILE 104 HG22 ILE 104 6.271 8.597 -13.535 767 3HG2 ILE 104 HG23 ILE 104 7.076 7.064 -13.134 768 1HD1 ILE 104 HD11 ILE 104 4.190 7.802 -15.245 769 2HD1 ILE 104 HD12 ILE 104 3.770 6.077 -15.101 770 3HD1 ILE 104 HD13 ILE 104 4.574 6.895 -13.752 771 H SER 105 H SER 105 9.282 8.171 -17.076 772 HA SER 105 HA SER 105 10.791 9.745 -15.402 773 1HB SER 105 HB2 SER 105 11.478 8.834 -18.227 774 2HB SER 105 HB3 SER 105 12.600 9.202 -16.919 775 HG SER 105 HG SER 105 12.175 6.924 -16.982 776 H THR 106 H THR 106 9.783 10.508 -18.800 777 HA THR 106 HA THR 106 10.918 13.115 -18.751 778 HB THR 106 HB THR 106 9.286 13.525 -20.687 779 HG1 THR 106 HG1 THR 106 7.736 11.926 -20.208 780 1HG2 THR 106 HG21 THR 106 11.131 11.099 -20.824 781 2HG2 THR 106 HG22 THR 106 10.578 12.107 -22.180 782 3HG2 THR 106 HG23 THR 106 11.647 12.795 -20.948 783 H GLU 107 H GLU 107 7.592 12.034 -17.754 784 HA GLU 107 HA GLU 107 6.635 14.700 -17.428 785 1HB GLU 107 HB2 GLU 107 5.779 12.014 -16.294 786 2HB GLU 107 HB3 GLU 107 5.026 13.522 -15.765 787 1HG GLU 107 HG2 GLU 107 4.443 14.095 -18.095 788 2HG GLU 107 HG3 GLU 107 5.162 12.596 -18.665 789 H LYS 108 H LYS 108 8.208 12.435 -15.087 790 HA LYS 108 HA LYS 108 8.080 14.282 -12.888 791 1HB LYS 108 HB2 LYS 108 10.041 12.010 -13.453 792 2HB LYS 108 HB3 LYS 108 9.946 12.903 -11.942 793 1HG LYS 108 HG2 LYS 108 7.914 10.951 -13.041 794 2HG LYS 108 HG3 LYS 108 8.868 10.861 -11.570 795 1HD LYS 108 HD2 LYS 108 7.512 13.127 -10.992 796 2HD LYS 108 HD3 LYS 108 6.400 12.480 -12.191 797 1HE LYS 108 HE2 LYS 108 5.638 11.785 -10.047 798 2HE LYS 108 HE3 LYS 108 6.282 10.337 -10.832 799 1HZ LYS 108 HZ1 LYS 108 6.944 10.900 -8.396 800 2HZ LYS 108 HZ2 LYS 108 8.149 10.384 -9.373 801 3HZ LYS 108 HZ3 LYS 108 7.993 11.963 -9.043 802 H ILE 109 H ILE 109 10.619 13.712 -15.388 803 HA ILE 109 HA ILE 109 12.435 15.624 -14.326 804 HB ILE 109 HB ILE 109 12.027 14.482 -17.108 805 1HG1 ILE 109 HG12 ILE 109 14.417 14.228 -15.221 806 2HG1 ILE 109 HG13 ILE 109 13.035 13.139 -15.096 807 1HG2 ILE 109 HG21 ILE 109 12.970 16.730 -17.465 808 2HG2 ILE 109 HG22 ILE 109 14.166 16.452 -16.189 809 3HG2 ILE 109 HG23 ILE 109 14.245 15.532 -17.680 810 1HD1 ILE 109 HD11 ILE 109 14.857 13.434 -17.528 811 2HD1 ILE 109 HD12 ILE 109 14.775 12.076 -16.407 812 3HD1 ILE 109 HD13 ILE 109 13.396 12.423 -17.468 813 H LYS 110 H LYS 110 9.806 16.116 -16.849 814 HA LYS 110 HA LYS 110 10.384 18.902 -17.057 815 1HB LYS 110 HB2 LYS 110 7.820 17.350 -17.611 816 2HB LYS 110 HB3 LYS 110 7.995 19.091 -17.878 817 1HG LYS 110 HG2 LYS 110 9.949 18.644 -19.389 818 2HG LYS 110 HG3 LYS 110 9.653 16.914 -19.209 819 1HD LYS 110 HD2 LYS 110 8.734 17.740 -21.309 820 2HD LYS 110 HD3 LYS 110 7.445 17.141 -20.258 821 1HE LYS 110 HE2 LYS 110 6.788 19.392 -19.641 822 2HE LYS 110 HE3 LYS 110 8.204 20.096 -20.435 823 1HZ LYS 110 HZ1 LYS 110 6.045 20.220 -21.669 824 2HZ LYS 110 HZ2 LYS 110 7.300 19.666 -22.533 825 3HZ LYS 110 HZ3 LYS 110 6.148 18.619 -21.961 826 H ALA 111 H ALA 111 8.271 17.164 -14.723 827 HA ALA 111 HA ALA 111 7.154 19.491 -13.549 828 1HB ALA 111 HB1 ALA 111 7.775 16.806 -12.240 829 2HB ALA 111 HB2 ALA 111 6.662 18.042 -11.629 830 3HB ALA 111 HB3 ALA 111 6.301 17.206 -13.151 831 H LYS 112 H LYS 112 10.228 17.748 -12.789 832 HA LYS 112 HA LYS 112 10.849 19.644 -10.642 833 1HB LYS 112 HB2 LYS 112 12.329 17.281 -11.847 834 2HB LYS 112 HB3 LYS 112 13.029 18.287 -10.588 835 1HG LYS 112 HG2 LYS 112 10.434 16.709 -10.373 836 2HG LYS 112 HG3 LYS 112 11.987 16.255 -9.674 837 1HD LYS 112 HD2 LYS 112 10.235 18.605 -8.851 838 2HD LYS 112 HD3 LYS 112 10.524 17.122 -7.954 839 1HE LYS 112 HE2 LYS 112 12.937 17.700 -7.741 840 2HE LYS 112 HE3 LYS 112 12.654 19.202 -8.629 841 1HZ LYS 112 HZ1 LYS 112 12.651 19.573 -6.248 842 2HZ LYS 112 HZ2 LYS 112 11.174 19.910 -6.842 843 3HZ LYS 112 HZ3 LYS 112 11.429 18.522 -6.016 844 H TYR 113 H TYR 113 11.469 19.498 -14.018 845 HA TYR 113 HA TYR 113 12.841 20.450 -15.431 846 1HB TYR 113 HB2 TYR 113 12.916 22.931 -15.410 847 2HB TYR 113 HB3 TYR 113 11.344 22.180 -15.368 848 HD1 TYR 113 HD1 TYR 113 9.873 22.319 -13.411 849 HD2 TYR 113 HD2 TYR 113 13.705 24.302 -13.483 850 HE1 TYR 113 HE1 TYR 113 9.202 23.676 -11.453 851 HE2 TYR 113 HE2 TYR 113 13.046 25.667 -11.532 852 HH TYR 113 HH TYR 113 11.376 26.134 -9.972 853 HA PRO 114 HA PRO 114 16.857 20.427 -13.071 854 1HB PRO 114 HB2 PRO 114 17.805 17.990 -13.815 855 2HB PRO 114 HB3 PRO 114 16.682 18.160 -12.428 856 1HG PRO 114 HG2 PRO 114 16.029 17.407 -15.280 857 2HG PRO 114 HG3 PRO 114 15.509 16.587 -13.772 858 1HD PRO 114 HD2 PRO 114 13.958 18.431 -15.102 859 2HD PRO 114 HD3 PRO 114 13.900 18.220 -13.324 860 H ASP 115 H ASP 115 15.427 19.969 -16.177 861 HA ASP 115 HA ASP 115 17.513 21.461 -17.536 862 1HB ASP 115 HB2 ASP 115 18.024 19.071 -18.076 863 2HB ASP 115 HB3 ASP 115 16.362 18.856 -18.637 864 H TYR 116 H TYR 116 16.426 22.375 -19.572 865 HA TYR 116 HA TYR 116 14.156 23.772 -18.696 866 1HB TYR 116 HB2 TYR 116 15.179 23.434 -21.541 867 2HB TYR 116 HB3 TYR 116 14.074 24.683 -20.991 868 HD1 TYR 116 HD1 TYR 116 17.561 23.637 -21.198 869 HD2 TYR 116 HD2 TYR 116 14.860 26.451 -19.357 870 HE1 TYR 116 HE1 TYR 116 19.482 25.083 -20.618 871 HE2 TYR 116 HE2 TYR 116 16.775 27.909 -18.765 872 HH TYR 116 HH TYR 116 20.172 27.068 -19.603 873 H GLU 117 H GLU 117 14.306 21.079 -21.073 874 HA GLU 117 HA GLU 117 11.659 20.161 -20.466 875 1HB GLU 117 HB2 GLU 117 10.960 21.923 -21.988 876 2HB GLU 117 HB3 GLU 117 12.221 21.508 -23.158 877 1HG GLU 117 HG2 GLU 117 11.127 19.482 -23.778 878 2HG GLU 117 HG3 GLU 117 10.066 19.533 -22.353 879 H VAL 118 H VAL 118 11.369 18.034 -21.685 880 HA VAL 118 HA VAL 118 13.808 16.954 -22.895 881 HB VAL 118 HB VAL 118 13.752 14.961 -21.452 882 1HG1 VAL 118 HG11 VAL 118 15.179 17.028 -21.004 883 2HG1 VAL 118 HG12 VAL 118 14.065 17.420 -19.691 884 3HG1 VAL 118 HG13 VAL 118 14.977 15.892 -19.666 885 1HG2 VAL 118 HG21 VAL 118 11.346 15.167 -20.673 886 2HG2 VAL 118 HG22 VAL 118 12.527 14.834 -19.402 887 3HG2 VAL 118 HG23 VAL 118 11.870 16.473 -19.597 888 H THR 119 H THR 119 13.341 14.646 -23.675 889 HA THR 119 HA THR 119 10.537 14.192 -24.482 890 HB THR 119 HB THR 119 11.536 13.719 -26.853 891 HG1 THR 119 HG1 THR 119 13.463 15.503 -25.774 892 1HG2 THR 119 HG21 THR 119 9.905 15.483 -26.491 893 2HG2 THR 119 HG22 THR 119 11.163 16.588 -25.916 894 3HG2 THR 119 HG23 THR 119 11.170 16.029 -27.604 895 H TRP 120 H TRP 120 10.498 11.939 -25.703 896 HA TRP 120 HA TRP 120 12.742 10.236 -25.030 897 1HB TRP 120 HB2 TRP 120 11.489 8.510 -23.939 898 2HB TRP 120 HB3 TRP 120 11.247 9.980 -23.030 899 HD1 TRP 120 HD1 TRP 120 8.753 11.235 -23.807 900 HE1 TRP 120 HE1 TRP 120 6.466 10.103 -23.838 901 HE3 TRP 120 HE3 TRP 120 10.286 6.410 -24.500 902 HZ2 TRP 120 HZ2 TRP 120 5.425 7.398 -24.044 903 HZ3 TRP 120 HZ3 TRP 120 8.633 4.566 -24.534 904 HH2 TRP 120 HH2 TRP 120 6.204 5.044 -24.312 905 H ALA 121 H ALA 121 12.363 8.019 -26.028 906 HA ALA 121 HA ALA 121 10.288 7.941 -28.078 907 1HB ALA 121 HB1 ALA 121 13.256 7.516 -28.741 908 2HB ALA 121 HB2 ALA 121 11.898 7.194 -29.841 909 3HB ALA 121 HB3 ALA 121 12.245 8.858 -29.327 910 H ASN 122 H ASN 122 9.645 5.825 -28.455 911 HA ASN 122 HA ASN 122 10.407 3.912 -26.366 912 1HB ASN 122 HB2 ASN 122 8.018 4.491 -26.886 913 2HB ASN 122 HB3 ASN 122 8.226 3.778 -28.484 914 1HD2 ASN 122 HD21 ASN 122 6.686 2.066 -28.141 915 2HD2 ASN 122 HD22 ASN 122 6.974 0.775 -27.006 916 H ASP 123 H ASP 123 12.588 4.143 -27.911 917 HA ASP 123 HA ASP 123 12.756 1.693 -29.520 918 1HB ASP 123 HB2 ASP 123 11.905 3.711 -30.977 919 2HB ASP 123 HB3 ASP 123 13.559 4.312 -30.791 920 H GLY 124 H GLY 124 15.076 1.780 -30.546 921 1HA GLY 124 HA2 GLY 124 17.380 1.783 -30.225 922 2HA GLY 124 HA3 GLY 124 17.204 2.907 -28.873 923 H TYR 125 H TYR 125 18.955 1.198 -28.252 924 HA TYR 125 HA TYR 125 17.779 -0.470 -26.165 925 1HB TYR 125 HB2 TYR 125 18.128 -2.170 -27.862 926 2HB TYR 125 HB3 TYR 125 19.682 -1.479 -28.309 927 HD1 TYR 125 HD1 TYR 125 21.192 -3.243 -27.970 928 HD2 TYR 125 HD2 TYR 125 18.412 -2.234 -24.823 929 HE1 TYR 125 HE1 TYR 125 22.370 -4.782 -26.440 930 HE2 TYR 125 HE2 TYR 125 19.576 -3.770 -23.293 931 HH TYR 125 HH TYR 125 22.460 -5.683 -24.300 Start of MODEL 13 1 1H MET 1 H1 MET 1 9.375 16.247 16.211 2 2H MET 1 H2 MET 1 10.482 17.330 15.661 3 3H MET 1 H3 MET 1 9.096 17.069 14.828 4 HA MET 1 HA MET 1 10.903 15.999 13.720 5 1HB MET 1 HB2 MET 1 12.294 15.675 15.765 6 2HB MET 1 HB3 MET 1 11.203 14.388 16.297 7 1HG MET 1 HG2 MET 1 11.769 13.073 14.279 8 2HG MET 1 HG3 MET 1 12.802 14.387 13.703 9 1HE MET 1 HE1 MET 1 15.350 11.539 14.550 10 2HE MET 1 HE2 MET 1 13.710 11.348 13.895 11 3HE MET 1 HE3 MET 1 14.755 12.663 13.309 12 H ALA 2 H ALA 2 10.208 14.433 12.296 13 HA ALA 2 HA ALA 2 8.341 12.339 13.102 14 1HB ALA 2 HB1 ALA 2 7.637 14.386 10.938 15 2HB ALA 2 HB2 ALA 2 6.725 12.908 11.307 16 3HB ALA 2 HB3 ALA 2 6.809 14.212 12.503 17 H VAL 3 H VAL 3 8.040 10.838 11.138 18 HA VAL 3 HA VAL 3 10.561 10.252 9.915 19 HB VAL 3 HB VAL 3 9.284 8.499 8.779 20 1HG1 VAL 3 HG11 VAL 3 8.706 7.192 10.722 21 2HG1 VAL 3 HG12 VAL 3 10.121 8.191 11.103 22 3HG1 VAL 3 HG13 VAL 3 8.523 8.646 11.722 23 1HG2 VAL 3 HG21 VAL 3 7.099 9.683 8.441 24 2HG2 VAL 3 HG22 VAL 3 6.934 8.077 9.147 25 3HG2 VAL 3 HG23 VAL 3 6.769 9.515 10.176 26 H ALA 4 H ALA 4 10.822 10.002 7.512 27 HA ALA 4 HA ALA 4 10.186 12.393 6.038 28 1HB ALA 4 HB1 ALA 4 11.177 9.685 5.019 29 2HB ALA 4 HB2 ALA 4 11.230 11.227 4.153 30 3HB ALA 4 HB3 ALA 4 12.212 10.998 5.609 31 H ASP 5 H ASP 5 9.133 11.969 3.692 32 HA ASP 5 HA ASP 5 6.772 10.232 3.757 33 1HB ASP 5 HB2 ASP 5 5.939 12.269 4.883 34 2HB ASP 5 HB3 ASP 5 6.594 13.276 3.587 35 H LEU 6 H LEU 6 5.882 10.068 1.537 36 HA LEU 6 HA LEU 6 7.850 9.906 -0.442 37 1HB LEU 6 HB2 LEU 6 4.830 10.161 -0.749 38 2HB LEU 6 HB3 LEU 6 5.945 9.657 -2.010 39 HG LEU 6 HG LEU 6 5.436 8.143 0.565 40 1HD1 LEU 6 HD11 LEU 6 4.323 6.487 -0.952 41 2HD1 LEU 6 HD12 LEU 6 3.502 8.055 -0.907 42 3HD1 LEU 6 HD13 LEU 6 4.513 7.622 -2.293 43 1HD2 LEU 6 HD21 LEU 6 7.664 7.621 -0.084 44 2HD2 LEU 6 HD22 LEU 6 6.676 6.279 -0.645 45 3HD2 LEU 6 HD23 LEU 6 7.227 7.493 -1.804 46 H ALA 7 H ALA 7 5.738 12.712 0.340 47 HA ALA 7 HA ALA 7 6.273 14.120 -2.074 48 1HB ALA 7 HB1 ALA 7 5.444 16.081 -0.837 49 2HB ALA 7 HB2 ALA 7 4.407 14.671 -0.547 50 3HB ALA 7 HB3 ALA 7 5.576 15.192 0.693 51 H LEU 8 H LEU 8 8.211 13.574 0.801 52 HA LEU 8 HA LEU 8 9.967 15.900 0.322 53 1HB LEU 8 HB2 LEU 8 10.077 13.727 2.452 54 2HB LEU 8 HB3 LEU 8 11.080 15.166 2.391 55 HG LEU 8 HG LEU 8 8.054 15.148 2.782 56 1HD1 LEU 8 HD11 LEU 8 10.316 15.712 4.744 57 2HD1 LEU 8 HD12 LEU 8 8.576 15.855 5.081 58 3HD1 LEU 8 HD13 LEU 8 9.273 14.272 4.724 59 1HD2 LEU 8 HD21 LEU 8 8.337 17.558 3.344 60 2HD2 LEU 8 HD22 LEU 8 10.037 17.467 2.832 61 3HD2 LEU 8 HD23 LEU 8 8.724 17.219 1.657 62 H ILE 9 H ILE 9 9.869 12.415 -0.295 63 HA ILE 9 HA ILE 9 12.633 11.936 -0.557 64 HB ILE 9 HB ILE 9 10.282 10.690 -2.014 65 1HG1 ILE 9 HG12 ILE 9 11.781 9.942 0.521 66 2HG1 ILE 9 HG13 ILE 9 10.093 10.461 0.353 67 1HG2 ILE 9 HG21 ILE 9 11.761 8.798 -2.554 68 2HG2 ILE 9 HG22 ILE 9 12.459 10.264 -3.227 69 3HG2 ILE 9 HG23 ILE 9 13.109 9.593 -1.725 70 1HD1 ILE 9 HD11 ILE 9 11.274 7.818 -0.453 71 2HD1 ILE 9 HD12 ILE 9 9.991 8.166 0.720 72 3HD1 ILE 9 HD13 ILE 9 9.678 8.390 -1.017 73 HA PRO 10 HA PRO 10 13.369 14.709 -4.027 74 1HB PRO 10 HB2 PRO 10 15.775 13.702 -4.996 75 2HB PRO 10 HB3 PRO 10 15.597 14.772 -3.574 76 1HG PRO 10 HG2 PRO 10 15.855 11.760 -3.623 77 2HG PRO 10 HG3 PRO 10 16.669 12.929 -2.539 78 1HD PRO 10 HD2 PRO 10 14.480 11.535 -1.756 79 2HD PRO 10 HD3 PRO 10 14.706 13.237 -1.256 80 H ASP 11 H ASP 11 12.127 14.572 -5.764 81 HA ASP 11 HA ASP 11 11.225 12.078 -6.756 82 1HB ASP 11 HB2 ASP 11 10.082 14.423 -6.533 83 2HB ASP 11 HB3 ASP 11 10.723 14.715 -8.151 84 H VAL 12 H VAL 12 13.538 14.425 -8.095 85 HA VAL 12 HA VAL 12 14.296 12.512 -10.237 86 HB VAL 12 HB VAL 12 13.743 15.486 -10.601 87 1HG1 VAL 12 HG11 VAL 12 15.663 14.759 -11.992 88 2HG1 VAL 12 HG12 VAL 12 14.686 13.430 -12.657 89 3HG1 VAL 12 HG13 VAL 12 14.258 15.126 -12.982 90 1HG2 VAL 12 HG21 VAL 12 11.632 14.277 -10.603 91 2HG2 VAL 12 HG22 VAL 12 12.033 14.761 -12.246 92 3HG2 VAL 12 HG23 VAL 12 12.281 13.074 -11.741 93 H ASP 13 H ASP 13 16.516 12.358 -10.383 94 HA ASP 13 HA ASP 13 18.204 14.622 -9.749 95 1HB ASP 13 HB2 ASP 13 17.889 13.455 -7.504 96 2HB ASP 13 HB3 ASP 13 18.662 12.040 -8.192 97 H ILE 14 H ILE 14 19.302 14.595 -11.674 98 HA ILE 14 HA ILE 14 20.393 12.060 -12.671 99 HB ILE 14 HB ILE 14 19.741 12.692 -14.998 100 1HG1 ILE 14 HG12 ILE 14 17.660 14.512 -13.702 101 2HG1 ILE 14 HG13 ILE 14 19.091 15.078 -14.565 102 1HG2 ILE 14 HG21 ILE 14 18.649 10.891 -13.659 103 2HG2 ILE 14 HG22 ILE 14 17.386 12.041 -13.180 104 3HG2 ILE 14 HG23 ILE 14 17.589 11.579 -14.885 105 1HD1 ILE 14 HD11 ILE 14 16.784 13.511 -15.766 106 2HD1 ILE 14 HD12 ILE 14 17.207 15.205 -16.047 107 3HD1 ILE 14 HD13 ILE 14 18.287 13.922 -16.629 108 H ASP 15 H ASP 15 22.425 12.269 -13.433 109 HA ASP 15 HA ASP 15 23.792 14.606 -12.595 110 1HB ASP 15 HB2 ASP 15 24.678 12.240 -12.652 111 2HB ASP 15 HB3 ASP 15 24.917 12.428 -14.388 112 H SER 16 H SER 16 22.418 13.870 -15.679 113 HA SER 16 HA SER 16 22.355 14.916 -17.677 114 1HB SER 16 HB2 SER 16 23.050 17.404 -16.090 115 2HB SER 16 HB3 SER 16 22.190 17.315 -17.636 116 HG SER 16 HG SER 16 21.344 16.281 -15.122 117 H ASP 17 H ASP 17 24.895 13.666 -17.039 118 HA ASP 17 HA ASP 17 27.124 15.309 -17.449 119 1HB ASP 17 HB2 ASP 17 27.220 13.044 -16.484 120 2HB ASP 17 HB3 ASP 17 26.823 12.339 -18.051 121 H GLY 18 H GLY 18 25.317 13.390 -19.875 122 1HA GLY 18 HA2 GLY 18 25.714 14.825 -22.169 123 2HA GLY 18 HA3 GLY 18 27.222 13.902 -22.013 124 H VAL 19 H VAL 19 26.737 11.482 -21.231 125 HA VAL 19 HA VAL 19 24.196 10.395 -22.150 126 HB VAL 19 HB VAL 19 26.827 9.271 -23.223 127 1HG1 VAL 19 HG11 VAL 19 25.129 7.533 -22.770 128 2HG1 VAL 19 HG12 VAL 19 23.928 8.447 -23.713 129 3HG1 VAL 19 HG13 VAL 19 25.359 7.741 -24.509 130 1HG2 VAL 19 HG21 VAL 19 25.976 9.818 -25.490 131 2HG2 VAL 19 HG22 VAL 19 24.615 10.696 -24.763 132 3HG2 VAL 19 HG23 VAL 19 26.286 11.267 -24.540 133 H PHE 20 H PHE 20 23.592 8.908 -20.564 134 HA PHE 20 HA PHE 20 25.527 7.427 -18.985 135 1HB PHE 20 HB2 PHE 20 24.860 8.425 -16.819 136 2HB PHE 20 HB3 PHE 20 25.779 9.529 -17.815 137 HD1 PHE 20 HD1 PHE 20 24.565 11.403 -19.071 138 HD2 PHE 20 HD2 PHE 20 22.642 8.994 -16.070 139 HE1 PHE 20 HE1 PHE 20 22.746 13.074 -18.896 140 HE2 PHE 20 HE2 PHE 20 20.870 10.708 -15.823 141 HZ PHE 20 HZ PHE 20 20.914 12.756 -17.238 142 H LYS 21 H LYS 21 24.312 6.068 -17.307 143 HA LYS 21 HA LYS 21 21.825 5.144 -18.606 144 1HB LYS 21 HB2 LYS 21 23.226 3.929 -16.184 145 2HB LYS 21 HB3 LYS 21 22.034 3.161 -17.220 146 1HG LYS 21 HG2 LYS 21 24.903 3.856 -17.983 147 2HG LYS 21 HG3 LYS 21 24.261 2.263 -17.585 148 1HD LYS 21 HD2 LYS 21 22.829 2.278 -19.586 149 2HD LYS 21 HD3 LYS 21 23.336 3.927 -19.961 150 1HE LYS 21 HE2 LYS 21 24.551 2.406 -21.388 151 2HE LYS 21 HE3 LYS 21 25.667 3.198 -20.276 152 1HZ LYS 21 HZ1 LYS 21 24.620 0.445 -19.924 153 2HZ LYS 21 HZ2 LYS 21 26.086 0.819 -20.523 154 3HZ LYS 21 HZ3 LYS 21 25.753 1.173 -18.971 155 H TYR 22 H TYR 22 19.929 4.582 -17.250 156 HA TYR 22 HA TYR 22 19.684 6.086 -14.750 157 1HB TYR 22 HB2 TYR 22 18.545 7.813 -15.574 158 2HB TYR 22 HB3 TYR 22 18.894 7.266 -17.193 159 HD1 TYR 22 HD1 TYR 22 16.320 7.827 -14.736 160 HD2 TYR 22 HD2 TYR 22 17.304 5.522 -18.243 161 HE1 TYR 22 HE1 TYR 22 13.941 7.165 -14.961 162 HE2 TYR 22 HE2 TYR 22 14.948 4.811 -18.438 163 HH TYR 22 HH TYR 22 12.401 5.946 -16.175 164 H VAL 23 H VAL 23 17.510 5.588 -13.718 165 HA VAL 23 HA VAL 23 16.199 3.154 -14.641 166 HB VAL 23 HB VAL 23 18.187 2.444 -13.255 167 1HG1 VAL 23 HG11 VAL 23 16.649 3.684 -10.937 168 2HG1 VAL 23 HG12 VAL 23 18.087 2.652 -10.809 169 3HG1 VAL 23 HG13 VAL 23 18.191 4.244 -11.585 170 1HG2 VAL 23 HG21 VAL 23 16.297 0.945 -13.555 171 2HG2 VAL 23 HG22 VAL 23 17.036 0.752 -11.965 172 3HG2 VAL 23 HG23 VAL 23 15.496 1.623 -12.119 173 H LEU 24 H LEU 24 14.144 2.836 -13.549 174 HA LEU 24 HA LEU 24 13.054 5.272 -12.224 175 1HB LEU 24 HB2 LEU 24 12.221 4.913 -14.541 176 2HB LEU 24 HB3 LEU 24 11.711 3.290 -14.108 177 HG LEU 24 HG LEU 24 10.069 4.323 -12.457 178 1HD1 LEU 24 HD11 LEU 24 10.905 6.924 -13.822 179 2HD1 LEU 24 HD12 LEU 24 9.531 6.718 -12.715 180 3HD1 LEU 24 HD13 LEU 24 11.169 6.518 -12.110 181 1HD2 LEU 24 HD21 LEU 24 8.489 5.012 -14.171 182 2HD2 LEU 24 HD22 LEU 24 9.805 5.218 -15.356 183 3HD2 LEU 24 HD23 LEU 24 9.403 3.604 -14.717 184 H ILE 25 H ILE 25 12.725 4.715 -10.058 185 HA ILE 25 HA ILE 25 12.021 1.871 -9.543 186 HB ILE 25 HB ILE 25 13.554 1.517 -8.121 187 1HG1 ILE 25 HG12 ILE 25 13.480 4.239 -6.818 188 2HG1 ILE 25 HG13 ILE 25 12.431 2.900 -6.369 189 1HG2 ILE 25 HG21 ILE 25 14.960 2.563 -9.833 190 2HG2 ILE 25 HG22 ILE 25 14.923 4.101 -8.927 191 3HG2 ILE 25 HG23 ILE 25 15.703 2.676 -8.239 192 1HD1 ILE 25 HD11 ILE 25 15.445 2.947 -6.082 193 2HD1 ILE 25 HD12 ILE 25 14.220 2.951 -4.810 194 3HD1 ILE 25 HD13 ILE 25 14.410 1.512 -5.831 195 H ARG 26 H ARG 26 10.303 1.420 -8.399 196 HA ARG 26 HA ARG 26 8.467 3.575 -7.607 197 1HB ARG 26 HB2 ARG 26 7.615 1.532 -8.667 198 2HB ARG 26 HB3 ARG 26 8.300 0.528 -7.395 199 1HG ARG 26 HG2 ARG 26 6.766 1.308 -5.764 200 2HG ARG 26 HG3 ARG 26 6.319 2.736 -6.710 201 1HD ARG 26 HD2 ARG 26 5.709 -0.087 -7.653 202 2HD ARG 26 HD3 ARG 26 4.607 0.848 -6.621 203 HE ARG 26 HE ARG 26 5.053 2.649 -8.564 204 1HH1 ARG 26 HH21 ARG 26 4.066 -0.767 -8.879 205 2HH1 ARG 26 HH22 ARG 26 3.203 -0.484 -10.346 206 1HH2 ARG 26 HH11 ARG 26 3.988 3.011 -10.325 207 2HH2 ARG 26 HH12 ARG 26 3.142 1.776 -11.242 208 H VAL 27 H VAL 27 7.917 3.961 -5.450 209 HA VAL 27 HA VAL 27 9.607 2.836 -3.282 210 HB VAL 27 HB VAL 27 8.954 5.775 -3.834 211 1HG1 VAL 27 HG11 VAL 27 9.241 5.214 -1.422 212 2HG1 VAL 27 HG12 VAL 27 10.877 4.611 -1.802 213 3HG1 VAL 27 HG13 VAL 27 10.478 6.315 -2.049 214 1HG2 VAL 27 HG21 VAL 27 11.615 4.374 -4.252 215 2HG2 VAL 27 HG22 VAL 27 10.601 5.144 -5.493 216 3HG2 VAL 27 HG23 VAL 27 11.364 6.134 -4.255 217 H HIS 28 H HIS 28 8.126 2.042 -1.778 218 HA HIS 28 HA HIS 28 5.319 3.043 -1.817 219 1HB HIS 28 HB2 HIS 28 6.628 0.790 -0.245 220 2HB HIS 28 HB3 HIS 28 4.904 1.155 -0.321 221 HD1 HIS 28 HD1 HIS 28 4.018 1.102 -3.172 222 HD2 HIS 28 HD2 HIS 28 7.357 -1.107 -1.855 223 HE1 HIS 28 HE1 HIS 28 4.360 -0.761 -4.861 224 H SER 29 H SER 29 4.382 4.023 0.142 225 HA SER 29 HA SER 29 6.251 5.551 1.705 226 1HB SER 29 HB2 SER 29 4.212 6.216 3.009 227 2HB SER 29 HB3 SER 29 4.154 6.553 1.286 228 HG SER 29 HG SER 29 2.815 4.566 2.732 229 H ALA 30 H ALA 30 7.633 4.331 2.934 230 HA ALA 30 HA ALA 30 6.416 3.241 5.362 231 1HB ALA 30 HB1 ALA 30 7.745 1.175 5.311 232 2HB ALA 30 HB2 ALA 30 6.682 1.269 3.903 233 3HB ALA 30 HB3 ALA 30 8.411 1.621 3.729 234 HA PRO 31 HA PRO 31 10.752 5.517 5.750 235 1HB PRO 31 HB2 PRO 31 8.845 7.703 6.616 236 2HB PRO 31 HB3 PRO 31 10.585 7.838 6.181 237 1HG PRO 31 HG2 PRO 31 8.734 8.348 4.276 238 2HG PRO 31 HG3 PRO 31 10.100 7.277 3.874 239 1HD PRO 31 HD2 PRO 31 7.277 6.522 4.687 240 2HD PRO 31 HD3 PRO 31 8.294 5.878 3.370 241 H ARG 32 H ARG 32 11.674 4.932 7.514 242 HA ARG 32 HA ARG 32 11.914 3.530 9.284 243 1HB ARG 32 HB2 ARG 32 10.912 6.037 10.657 244 2HB ARG 32 HB3 ARG 32 11.957 4.815 11.363 245 1HG ARG 32 HG2 ARG 32 12.654 6.707 9.080 246 2HG ARG 32 HG3 ARG 32 13.261 6.767 10.725 247 1HD ARG 32 HD2 ARG 32 13.844 4.559 8.701 248 2HD ARG 32 HD3 ARG 32 14.935 5.865 9.169 249 HE ARG 32 HE ARG 32 14.198 4.549 11.533 250 1HH1 ARG 32 HH11 ARG 32 16.073 3.813 8.575 251 2HH1 ARG 32 HH12 ARG 32 17.018 2.593 9.345 252 1HH2 ARG 32 HH21 ARG 32 15.486 2.930 12.522 253 2HH2 ARG 32 HH22 ARG 32 16.697 2.100 11.626 254 H SER 33 H SER 33 9.470 2.799 8.139 255 HA SER 33 HA SER 33 7.593 1.661 8.509 256 1HB SER 33 HB2 SER 33 8.878 0.878 11.149 257 2HB SER 33 HB3 SER 33 7.678 -0.039 10.222 258 HG SER 33 HG SER 33 9.817 -0.793 9.880 259 H GLY 34 H GLY 34 7.514 4.479 9.386 260 1HA GLY 34 HA2 GLY 34 5.264 4.334 11.362 261 2HA GLY 34 HA3 GLY 34 6.536 5.562 11.412 262 H ALA 35 H ALA 35 5.586 4.632 8.216 263 HA ALA 35 HA ALA 35 4.611 7.230 7.544 264 1HB ALA 35 HB1 ALA 35 4.107 6.196 5.365 265 2HB ALA 35 HB2 ALA 35 5.705 5.690 5.947 266 3HB ALA 35 HB3 ALA 35 4.318 4.578 6.060 267 HA PRO 36 HA PRO 36 0.378 6.717 8.773 268 1HB PRO 36 HB2 PRO 36 -0.920 8.634 7.336 269 2HB PRO 36 HB3 PRO 36 0.308 9.032 8.576 270 1HG PRO 36 HG2 PRO 36 0.711 8.801 5.571 271 2HG PRO 36 HG3 PRO 36 1.198 10.150 6.649 272 1HD PRO 36 HD2 PRO 36 2.939 8.177 5.939 273 2HD PRO 36 HD3 PRO 36 2.966 8.896 7.577 274 H ALA 37 H ALA 37 1.300 5.834 5.558 275 HA ALA 37 HA ALA 37 -1.204 4.407 5.019 276 1HB ALA 37 HB1 ALA 37 -1.572 5.597 2.893 277 2HB ALA 37 HB2 ALA 37 -1.599 6.760 4.227 278 3HB ALA 37 HB3 ALA 37 -0.156 6.630 3.196 279 H ALA 38 H ALA 38 -0.895 3.521 2.611 280 HA ALA 38 HA ALA 38 1.908 2.675 2.110 281 1HB ALA 38 HB1 ALA 38 1.120 0.423 1.571 282 2HB ALA 38 HB2 ALA 38 0.747 0.821 3.260 283 3HB ALA 38 HB3 ALA 38 -0.541 0.864 2.030 284 H GLU 39 H GLU 39 1.171 4.813 0.971 285 HA GLU 39 HA GLU 39 -0.052 4.379 -1.672 286 1HB GLU 39 HB2 GLU 39 1.257 6.807 -0.350 287 2HB GLU 39 HB3 GLU 39 0.599 6.792 -1.992 288 1HG GLU 39 HG2 GLU 39 -1.643 6.174 -1.063 289 2HG GLU 39 HG3 GLU 39 -0.990 6.344 0.567 290 H SER 40 H SER 40 1.534 5.471 -3.476 291 HA SER 40 HA SER 40 4.303 4.560 -3.071 292 1HB SER 40 HB2 SER 40 2.692 3.698 -5.490 293 2HB SER 40 HB3 SER 40 4.352 3.247 -5.078 294 HG SER 40 HG SER 40 1.945 2.518 -3.758 295 H LYS 41 H LYS 41 5.724 5.264 -4.715 296 HA LYS 41 HA LYS 41 5.097 7.718 -6.266 297 1HB LYS 41 HB2 LYS 41 5.842 8.269 -3.908 298 2HB LYS 41 HB3 LYS 41 7.236 7.229 -4.137 299 1HG LYS 41 HG2 LYS 41 7.807 9.000 -6.066 300 2HG LYS 41 HG3 LYS 41 6.715 10.024 -5.119 301 1HD LYS 41 HD2 LYS 41 8.134 9.665 -3.122 302 2HD LYS 41 HD3 LYS 41 9.129 8.525 -4.028 303 1HE LYS 41 HE2 LYS 41 10.371 10.498 -4.049 304 2HE LYS 41 HE3 LYS 41 9.674 10.360 -5.665 305 1HZ LYS 41 HZ1 LYS 41 8.427 12.171 -5.376 306 2HZ LYS 41 HZ2 LYS 41 8.236 11.984 -3.711 307 3HZ LYS 41 HZ3 LYS 41 9.625 12.577 -4.320 308 H GLU 42 H GLU 42 7.055 8.063 -7.772 309 HA GLU 42 HA GLU 42 8.808 5.712 -8.089 310 1HB GLU 42 HB2 GLU 42 7.431 7.259 -10.334 311 2HB GLU 42 HB3 GLU 42 8.805 6.182 -10.538 312 1HG GLU 42 HG2 GLU 42 6.983 4.916 -11.197 313 2HG GLU 42 HG3 GLU 42 7.439 4.296 -9.615 314 H ILE 43 H ILE 43 10.957 6.371 -8.684 315 HA ILE 43 HA ILE 43 11.420 9.308 -8.797 316 HB ILE 43 HB ILE 43 13.485 8.970 -7.466 317 1HG1 ILE 43 HG12 ILE 43 12.314 6.265 -6.732 318 2HG1 ILE 43 HG13 ILE 43 13.756 6.520 -7.715 319 1HG2 ILE 43 HG21 ILE 43 12.375 9.176 -5.348 320 2HG2 ILE 43 HG22 ILE 43 11.350 9.877 -6.596 321 3HG2 ILE 43 HG23 ILE 43 10.957 8.267 -5.940 322 1HD1 ILE 43 HD11 ILE 43 13.456 7.290 -4.776 323 2HD1 ILE 43 HD12 ILE 43 14.371 5.935 -5.431 324 3HD1 ILE 43 HD13 ILE 43 14.886 7.593 -5.789 325 H VAL 44 H VAL 44 13.095 9.992 -9.980 326 HA VAL 44 HA VAL 44 14.023 8.112 -12.101 327 HB VAL 44 HB VAL 44 13.769 11.156 -12.013 328 1HG1 VAL 44 HG11 VAL 44 14.079 11.127 -14.420 329 2HG1 VAL 44 HG12 VAL 44 15.477 10.375 -13.647 330 3HG1 VAL 44 HG13 VAL 44 14.241 9.364 -14.425 331 1HG2 VAL 44 HG21 VAL 44 11.939 9.154 -13.392 332 2HG2 VAL 44 HG22 VAL 44 11.529 10.121 -11.957 333 3HG2 VAL 44 HG23 VAL 44 11.839 10.931 -13.489 334 H ARG 45 H ARG 45 16.144 7.517 -11.926 335 HA ARG 45 HA ARG 45 18.118 9.340 -10.594 336 1HB ARG 45 HB2 ARG 45 17.935 6.293 -10.441 337 2HB ARG 45 HB3 ARG 45 19.229 7.258 -9.756 338 1HG ARG 45 HG2 ARG 45 16.324 7.272 -8.809 339 2HG ARG 45 HG3 ARG 45 17.646 6.350 -8.128 340 1HD ARG 45 HD2 ARG 45 17.611 8.153 -6.684 341 2HD ARG 45 HD3 ARG 45 18.838 8.690 -7.831 342 HE ARG 45 HE ARG 45 16.970 9.916 -9.002 343 1HH1 ARG 45 HH21 ARG 45 16.786 9.493 -5.444 344 2HH1 ARG 45 HH22 ARG 45 15.366 10.495 -5.330 345 1HH2 ARG 45 HH11 ARG 45 15.147 11.120 -8.767 346 2HH2 ARG 45 HH12 ARG 45 14.484 11.474 -7.177 347 H GLY 46 H GLY 46 20.130 9.426 -11.740 348 1HA GLY 46 HA2 GLY 46 21.036 7.275 -13.333 349 2HA GLY 46 HA3 GLY 46 20.341 8.497 -14.410 350 H TYR 47 H TYR 47 23.231 7.513 -13.583 351 HA TYR 47 HA TYR 47 24.440 10.190 -13.583 352 1HB TYR 47 HB2 TYR 47 25.229 8.174 -11.450 353 2HB TYR 47 HB3 TYR 47 25.784 9.829 -11.612 354 HD1 TYR 47 HD1 TYR 47 24.547 11.654 -10.539 355 HD2 TYR 47 HD2 TYR 47 22.994 7.642 -10.611 356 HE1 TYR 47 HE1 TYR 47 22.843 12.294 -8.865 357 HE2 TYR 47 HE2 TYR 47 21.284 8.259 -8.918 358 HH TYR 47 HH TYR 47 20.507 9.942 -7.494 359 H LYS 48 H LYS 48 26.660 10.089 -14.303 360 HA LYS 48 HA LYS 48 27.316 7.900 -15.989 361 1HB LYS 48 HB2 LYS 48 29.584 8.912 -16.108 362 2HB LYS 48 HB3 LYS 48 28.271 10.028 -16.473 363 1HG LYS 48 HG2 LYS 48 28.478 11.129 -14.350 364 2HG LYS 48 HG3 LYS 48 29.595 9.908 -13.724 365 1HD LYS 48 HD2 LYS 48 31.346 10.568 -15.173 366 2HD LYS 48 HD3 LYS 48 30.290 11.548 -16.186 367 1HE LYS 48 HE2 LYS 48 30.815 12.169 -13.243 368 2HE LYS 48 HE3 LYS 48 31.820 12.792 -14.557 369 1HZ LYS 48 HZ1 LYS 48 30.157 14.397 -13.999 370 2HZ LYS 48 HZ2 LYS 48 29.840 13.827 -15.508 371 3HZ LYS 48 HZ3 LYS 48 28.919 13.349 -14.233 372 H TRP 49 H TRP 49 28.008 8.336 -12.509 373 HA TRP 49 HA TRP 49 30.040 6.327 -12.459 374 1HB TRP 49 HB2 TRP 49 29.586 6.231 -10.006 375 2HB TRP 49 HB3 TRP 49 30.083 7.765 -10.670 376 HD1 TRP 49 HD1 TRP 49 28.830 9.788 -9.894 377 HE1 TRP 49 HE1 TRP 49 26.717 10.280 -8.558 378 HE3 TRP 49 HE3 TRP 49 26.869 5.050 -9.694 379 HZ2 TRP 49 HZ2 TRP 49 24.441 8.801 -7.514 380 HZ3 TRP 49 HZ3 TRP 49 24.682 4.658 -8.650 381 HH2 TRP 49 HH2 TRP 49 23.436 6.528 -7.564 382 H ALA 50 H ALA 50 26.498 6.048 -12.574 383 HA ALA 50 HA ALA 50 26.676 3.155 -12.051 384 1HB ALA 50 HB1 ALA 50 24.742 4.188 -11.160 385 2HB ALA 50 HB2 ALA 50 24.325 4.944 -12.730 386 3HB ALA 50 HB3 ALA 50 24.273 3.172 -12.527 387 H GLU 51 H GLU 51 28.257 2.835 -13.752 388 HA GLU 51 HA GLU 51 27.708 3.294 -16.513 389 1HB GLU 51 HB2 GLU 51 29.363 1.118 -15.153 390 2HB GLU 51 HB3 GLU 51 29.378 1.468 -16.887 391 1HG GLU 51 HG2 GLU 51 30.127 3.802 -16.378 392 2HG GLU 51 HG3 GLU 51 30.218 3.375 -14.665 393 H TYR 52 H TYR 52 26.162 1.169 -14.289 394 HA TYR 52 HA TYR 52 24.661 -0.126 -16.450 395 1HB TYR 52 HB2 TYR 52 24.646 -2.195 -14.839 396 2HB TYR 52 HB3 TYR 52 25.880 -1.980 -16.064 397 HD1 TYR 52 HD1 TYR 52 25.278 -2.368 -12.507 398 HD2 TYR 52 HD2 TYR 52 28.122 -1.057 -15.448 399 HE1 TYR 52 HE1 TYR 52 27.084 -2.599 -10.829 400 HE2 TYR 52 HE2 TYR 52 29.965 -1.275 -13.778 401 HH TYR 52 HH TYR 52 29.366 -2.374 -10.404 402 H HIS 53 H HIS 53 22.519 -0.352 -15.927 403 HA HIS 53 HA HIS 53 21.287 1.397 -14.126 404 1HB HIS 53 HB2 HIS 53 19.231 0.009 -14.648 405 2HB HIS 53 HB3 HIS 53 20.117 0.619 -16.042 406 HD1 HIS 53 HD1 HIS 53 19.677 -2.759 -14.137 407 HD2 HIS 53 HD2 HIS 53 21.057 -1.149 -17.777 408 HE1 HIS 53 HE1 HIS 53 20.406 -4.723 -15.568 409 H ALA 54 H ALA 54 22.308 -1.979 -13.587 410 HA ALA 54 HA ALA 54 20.759 -2.388 -11.232 411 1HB ALA 54 HB1 ALA 54 21.783 -4.242 -12.488 412 2HB ALA 54 HB2 ALA 54 23.409 -3.664 -12.042 413 3HB ALA 54 HB3 ALA 54 22.298 -4.255 -10.793 414 H ASP 55 H ASP 55 23.752 -0.550 -11.741 415 HA ASP 55 HA ASP 55 24.630 -0.650 -9.004 416 1HB ASP 55 HB2 ASP 55 26.015 0.093 -11.038 417 2HB ASP 55 HB3 ASP 55 25.134 1.598 -10.983 418 H ILE 56 H ILE 56 22.653 1.719 -10.872 419 HA ILE 56 HA ILE 56 22.217 3.411 -8.589 420 HB ILE 56 HB ILE 56 20.101 4.052 -10.152 421 1HG1 ILE 56 HG12 ILE 56 22.062 2.840 -12.112 422 2HG1 ILE 56 HG13 ILE 56 20.313 2.628 -11.967 423 1HG2 ILE 56 HG21 ILE 56 21.350 5.972 -10.823 424 2HG2 ILE 56 HG22 ILE 56 21.765 5.520 -9.178 425 3HG2 ILE 56 HG23 ILE 56 22.887 5.142 -10.498 426 1HD1 ILE 56 HD11 ILE 56 20.078 5.030 -12.722 427 2HD1 ILE 56 HD12 ILE 56 21.841 5.047 -13.000 428 3HD1 ILE 56 HD13 ILE 56 20.816 3.934 -13.914 429 H TYR 57 H TYR 57 20.330 0.641 -9.988 430 HA TYR 57 HA TYR 57 18.149 1.071 -8.190 431 1HB TYR 57 HB2 TYR 57 17.840 -0.471 -10.026 432 2HB TYR 57 HB3 TYR 57 19.140 -1.510 -9.440 433 HD1 TYR 57 HD1 TYR 57 18.456 -3.448 -8.297 434 HD2 TYR 57 HD2 TYR 57 16.016 0.099 -7.994 435 HE1 TYR 57 HE1 TYR 57 16.928 -4.632 -6.753 436 HE2 TYR 57 HE2 TYR 57 14.510 -1.060 -6.422 437 HH TYR 57 HH TYR 57 14.091 -3.050 -5.219 438 H ASP 58 H ASP 58 21.156 -0.962 -7.791 439 HA ASP 58 HA ASP 58 20.463 -1.910 -5.222 440 1HB ASP 58 HB2 ASP 58 22.249 -2.907 -6.537 441 2HB ASP 58 HB3 ASP 58 23.193 -1.415 -6.462 442 H LYS 59 H LYS 59 22.388 0.979 -6.163 443 HA LYS 59 HA LYS 59 23.013 1.872 -3.541 444 1HB LYS 59 HB2 LYS 59 24.178 2.683 -5.448 445 2HB LYS 59 HB3 LYS 59 22.712 3.285 -6.217 446 1HG LYS 59 HG2 LYS 59 22.667 5.223 -5.045 447 2HG LYS 59 HG3 LYS 59 23.286 4.492 -3.546 448 1HD LYS 59 HD2 LYS 59 25.543 4.448 -4.380 449 2HD LYS 59 HD3 LYS 59 25.022 4.957 -5.992 450 1HE LYS 59 HE2 LYS 59 24.181 7.112 -4.995 451 2HE LYS 59 HE3 LYS 59 24.828 6.606 -3.429 452 1HZ LYS 59 HZ1 LYS 59 26.430 7.046 -5.884 453 2HZ LYS 59 HZ2 LYS 59 26.367 8.049 -4.597 454 3HZ LYS 59 HZ3 LYS 59 27.041 6.575 -4.437 455 H VAL 60 H VAL 60 20.245 2.804 -5.689 456 HA VAL 60 HA VAL 60 19.319 4.592 -3.616 457 HB VAL 60 HB VAL 60 18.175 3.987 -6.337 458 1HG1 VAL 60 HG11 VAL 60 16.899 6.077 -5.983 459 2HG1 VAL 60 HG12 VAL 60 16.450 4.879 -4.777 460 3HG1 VAL 60 HG13 VAL 60 17.535 6.203 -4.325 461 1HG2 VAL 60 HG21 VAL 60 19.288 6.228 -6.807 462 2HG2 VAL 60 HG22 VAL 60 19.962 6.205 -5.181 463 3HG2 VAL 60 HG23 VAL 60 20.451 4.999 -6.386 464 H SER 61 H SER 61 18.275 1.292 -4.655 465 HA SER 61 HA SER 61 15.984 1.332 -2.921 466 1HB SER 61 HB2 SER 61 16.172 -1.136 -2.922 467 2HB SER 61 HB3 SER 61 16.149 -0.416 -4.537 468 HG SER 61 HG SER 61 18.301 -0.746 -4.745 469 H GLY 62 H GLY 62 19.478 0.730 -2.333 470 1HA GLY 62 HA2 GLY 62 19.312 -0.008 0.391 471 2HA GLY 62 HA3 GLY 62 20.679 0.800 -0.402 472 H ASP 63 H ASP 63 19.800 3.302 -1.059 473 HA ASP 63 HA ASP 63 19.756 4.654 1.428 474 1HB ASP 63 HB2 ASP 63 20.555 5.675 -0.685 475 2HB ASP 63 HB3 ASP 63 18.890 5.758 -1.270 476 H MET 64 H MET 64 17.074 3.980 -0.880 477 HA MET 64 HA MET 64 15.012 5.248 0.614 478 1HB MET 64 HB2 MET 64 14.947 2.828 -1.234 479 2HB MET 64 HB3 MET 64 13.535 3.621 -0.590 480 1HG MET 64 HG2 MET 64 15.530 5.010 -2.397 481 2HG MET 64 HG3 MET 64 13.991 4.321 -2.886 482 1HE MET 64 HE1 MET 64 15.721 7.491 -2.288 483 2HE MET 64 HE2 MET 64 14.802 8.385 -1.055 484 3HE MET 64 HE3 MET 64 15.745 6.956 -0.593 485 H GLN 65 H GLN 65 16.239 1.824 0.828 486 HA GLN 65 HA GLN 65 14.367 1.122 2.844 487 1HB GLN 65 HB2 GLN 65 17.024 0.052 1.837 488 2HB GLN 65 HB3 GLN 65 16.356 -0.649 3.304 489 1HG GLN 65 HG2 GLN 65 14.704 -0.493 0.758 490 2HG GLN 65 HG3 GLN 65 15.850 -1.798 1.047 491 1HE2 GLN 65 HE22 GLN 65 12.760 -0.438 2.030 492 2HE2 GLN 65 HE21 GLN 65 12.298 -1.743 3.117 493 H LYS 66 H LYS 66 17.619 2.644 3.090 494 HA LYS 66 HA LYS 66 17.803 2.542 5.950 495 1HB LYS 66 HB2 LYS 66 19.709 3.054 4.579 496 2HB LYS 66 HB3 LYS 66 18.874 4.381 3.803 497 1HG LYS 66 HG2 LYS 66 18.875 5.604 6.050 498 2HG LYS 66 HG3 LYS 66 19.897 4.288 6.658 499 1HD LYS 66 HD2 LYS 66 21.351 6.085 5.966 500 2HD LYS 66 HD3 LYS 66 21.507 4.781 4.769 501 1HE LYS 66 HE2 LYS 66 19.872 5.996 3.291 502 2HE LYS 66 HE3 LYS 66 19.788 7.300 4.473 503 1HZ LYS 66 HZ1 LYS 66 21.290 7.596 2.532 504 2HZ LYS 66 HZ2 LYS 66 22.022 7.874 3.989 505 3HZ LYS 66 HZ3 LYS 66 22.312 6.489 3.157 506 H GLN 67 H GLN 67 16.278 4.959 3.703 507 HA GLN 67 HA GLN 67 15.184 6.568 5.827 508 1HB GLN 67 HB2 GLN 67 14.185 6.201 2.971 509 2HB GLN 67 HB3 GLN 67 13.620 7.405 4.130 510 1HG GLN 67 HG2 GLN 67 16.018 8.254 4.297 511 2HG GLN 67 HG3 GLN 67 16.432 7.166 2.978 512 1HE2 GLN 67 HE22 GLN 67 16.790 8.470 1.160 513 2HE2 GLN 67 HE21 GLN 67 15.720 9.780 0.707 514 H GLY 68 H GLY 68 14.057 3.628 4.236 515 1HA GLY 68 HA2 GLY 68 13.066 2.058 5.960 516 2HA GLY 68 HA3 GLY 68 11.842 3.302 6.212 517 H CYS 69 H CYS 69 12.556 3.449 2.967 518 HA CYS 69 HA CYS 69 9.846 2.571 2.331 519 1HB CYS 69 HB2 CYS 69 12.131 3.898 0.839 520 2HB CYS 69 HB3 CYS 69 10.600 3.474 0.063 521 HG CYS 69 HG CYS 69 10.671 6.035 0.615 522 H ASP 70 H ASP 70 9.288 0.734 1.224 523 HA ASP 70 HA ASP 70 11.380 -1.173 0.321 524 1HB ASP 70 HB2 ASP 70 9.455 -2.100 1.538 525 2HB ASP 70 HB3 ASP 70 8.340 -1.345 0.393 526 H CYS 71 H CYS 71 11.750 -1.522 -1.915 527 HA CYS 71 HA CYS 71 10.331 0.241 -3.819 528 1HB CYS 71 HB2 CYS 71 13.358 0.241 -3.371 529 2HB CYS 71 HB3 CYS 71 12.467 1.181 -4.580 530 HG CYS 71 HG CYS 71 12.297 1.333 -1.286 531 H GLU 72 H GLU 72 11.030 -0.126 -6.115 532 HA GLU 72 HA GLU 72 12.458 -2.609 -6.751 533 1HB GLU 72 HB2 GLU 72 10.235 -3.460 -6.250 534 2HB GLU 72 HB3 GLU 72 9.466 -2.189 -7.212 535 1HG GLU 72 HG2 GLU 72 10.362 -3.080 -9.257 536 2HG GLU 72 HG3 GLU 72 11.391 -4.224 -8.384 537 H CYS 73 H CYS 73 13.483 -2.279 -8.760 538 HA CYS 73 HA CYS 73 13.108 0.183 -10.249 539 1HB CYS 73 HB2 CYS 73 14.555 -1.124 -11.945 540 2HB CYS 73 HB3 CYS 73 15.295 -0.647 -10.423 541 HG CYS 73 HG CYS 73 15.988 -3.111 -11.333 542 H LEU 74 H LEU 74 11.312 0.529 -11.440 543 HA LEU 74 HA LEU 74 9.522 -1.608 -12.311 544 1HB LEU 74 HB2 LEU 74 9.707 1.351 -13.048 545 2HB LEU 74 HB3 LEU 74 8.434 0.260 -13.582 546 HG LEU 74 HG LEU 74 8.987 1.082 -10.703 547 1HD1 LEU 74 HD11 LEU 74 6.679 1.725 -12.591 548 2HD1 LEU 74 HD12 LEU 74 6.820 2.244 -10.899 549 3HD1 LEU 74 HD13 LEU 74 7.973 2.841 -12.103 550 1HD2 LEU 74 HD21 LEU 74 6.812 -0.091 -10.207 551 2HD2 LEU 74 HD22 LEU 74 6.852 -0.781 -11.841 552 3HD2 LEU 74 HD23 LEU 74 8.114 -1.190 -10.652 553 H GLY 75 H GLY 75 12.239 0.210 -13.629 554 1HA GLY 75 HA2 GLY 75 13.087 -1.622 -15.510 555 2HA GLY 75 HA3 GLY 75 12.002 -0.518 -16.376 556 H GLY 76 H GLY 76 14.307 -0.063 -17.385 557 1HA GLY 76 HA2 GLY 76 14.949 2.594 -16.499 558 2HA GLY 76 HA3 GLY 76 16.270 1.461 -16.154 559 H GLY 77 H GLY 77 17.453 2.815 -17.743 560 1HA GLY 77 HA2 GLY 77 17.605 1.803 -20.373 561 2HA GLY 77 HA3 GLY 77 16.526 3.211 -20.386 562 H ARG 78 H ARG 78 17.912 4.586 -21.481 563 HA ARG 78 HA ARG 78 20.367 5.463 -20.067 564 1HB ARG 78 HB2 ARG 78 20.987 3.820 -21.791 565 2HB ARG 78 HB3 ARG 78 20.097 4.737 -23.015 566 1HG ARG 78 HG2 ARG 78 21.698 6.558 -22.914 567 2HG ARG 78 HG3 ARG 78 22.465 5.877 -21.468 568 1HD ARG 78 HD2 ARG 78 23.814 5.454 -23.503 569 2HD ARG 78 HD3 ARG 78 23.298 3.973 -22.702 570 HE ARG 78 HE ARG 78 21.886 3.423 -24.465 571 1HH1 ARG 78 HH21 ARG 78 23.107 6.731 -25.065 572 2HH1 ARG 78 HH22 ARG 78 22.414 6.775 -26.648 573 1HH2 ARG 78 HH11 ARG 78 21.177 3.459 -26.436 574 2HH2 ARG 78 HH12 ARG 78 21.397 4.814 -27.547 575 H ILE 79 H ILE 79 20.982 7.610 -20.623 576 HA ILE 79 HA ILE 79 18.814 9.297 -21.733 577 HB ILE 79 HB ILE 79 20.419 9.534 -19.155 578 1HG1 ILE 79 HG12 ILE 79 17.452 9.710 -19.857 579 2HG1 ILE 79 HG13 ILE 79 18.244 8.349 -19.082 580 1HG2 ILE 79 HG21 ILE 79 19.492 11.886 -18.957 581 2HG2 ILE 79 HG22 ILE 79 20.594 11.746 -20.309 582 3HG2 ILE 79 HG23 ILE 79 18.838 11.745 -20.596 583 1HD1 ILE 79 HD11 ILE 79 17.721 11.092 -17.874 584 2HD1 ILE 79 HD12 ILE 79 17.058 9.535 -17.385 585 3HD1 ILE 79 HD13 ILE 79 18.782 9.874 -17.122 586 H SER 80 H SER 80 19.543 10.934 -23.015 587 HA SER 80 HA SER 80 22.455 11.206 -23.521 588 1HB SER 80 HB2 SER 80 20.304 10.750 -25.636 589 2HB SER 80 HB3 SER 80 22.013 11.096 -25.948 590 HG SER 80 HG SER 80 21.361 8.844 -26.032 591 H HIS 81 H HIS 81 23.018 13.254 -24.033 592 HA HIS 81 HA HIS 81 20.936 15.384 -24.132 593 1HB HIS 81 HB2 HIS 81 22.424 14.994 -22.033 594 2HB HIS 81 HB3 HIS 81 23.757 15.586 -23.014 595 HD1 HIS 81 HD1 HIS 81 22.377 18.137 -24.317 596 HD2 HIS 81 HD2 HIS 81 22.155 16.904 -20.306 597 HE1 HIS 81 HE1 HIS 81 21.792 20.224 -22.955 598 H GLN 82 H GLN 82 22.113 13.862 -26.379 599 HA GLN 82 HA GLN 82 23.504 16.014 -27.894 600 1HB GLN 82 HB2 GLN 82 24.190 13.041 -27.828 601 2HB GLN 82 HB3 GLN 82 24.904 14.215 -28.933 602 1HG GLN 82 HG2 GLN 82 25.180 14.375 -25.892 603 2HG GLN 82 HG3 GLN 82 26.327 13.586 -26.958 604 1HE2 GLN 82 HE22 GLN 82 24.900 16.802 -26.159 605 2HE2 GLN 82 HE21 GLN 82 26.235 17.717 -26.828 606 H SER 83 H SER 83 20.704 15.313 -27.689 607 HA SER 83 HA SER 83 19.678 13.676 -29.673 608 1HB SER 83 HB2 SER 83 18.395 16.210 -28.610 609 2HB SER 83 HB3 SER 83 17.616 14.660 -28.967 610 HG SER 83 HG SER 83 18.089 15.333 -26.697 611 H GLN 84 H GLN 84 21.620 16.117 -30.533 612 HA GLN 84 HA GLN 84 21.862 17.696 -32.074 613 1HB GLN 84 HB2 GLN 84 19.885 16.185 -33.812 614 2HB GLN 84 HB3 GLN 84 21.166 17.282 -34.309 615 1HG GLN 84 HG2 GLN 84 22.348 15.399 -34.677 616 2HG GLN 84 HG3 GLN 84 22.694 15.467 -32.958 617 1HE2 GLN 84 HE22 GLN 84 22.012 13.650 -31.693 618 2HE2 GLN 84 HE21 GLN 84 21.026 12.362 -32.348 619 H ASP 85 H ASP 85 19.885 18.042 -30.008 620 HA ASP 85 HA ASP 85 18.516 20.445 -30.790 621 1HB ASP 85 HB2 ASP 85 16.889 18.722 -31.604 622 2HB ASP 85 HB3 ASP 85 16.929 17.941 -30.022 623 H LYS 86 H LYS 86 17.697 21.439 -28.707 624 HA LYS 86 HA LYS 86 19.527 20.985 -26.564 625 1HB LYS 86 HB2 LYS 86 16.913 22.550 -26.669 626 2HB LYS 86 HB3 LYS 86 18.052 22.594 -25.318 627 1HG LYS 86 HG2 LYS 86 19.845 23.398 -26.854 628 2HG LYS 86 HG3 LYS 86 18.674 23.473 -28.175 629 1HD LYS 86 HD2 LYS 86 18.498 25.047 -25.567 630 2HD LYS 86 HD3 LYS 86 19.103 25.670 -27.109 631 1HE LYS 86 HE2 LYS 86 16.878 25.200 -28.154 632 2HE LYS 86 HE3 LYS 86 16.269 24.666 -26.582 633 1HZ LYS 86 HZ1 LYS 86 17.253 27.394 -27.195 634 2HZ LYS 86 HZ2 LYS 86 15.693 26.966 -27.021 635 3HZ LYS 86 HZ3 LYS 86 16.698 26.906 -25.737 636 H LYS 87 H LYS 87 16.305 19.561 -27.163 637 HA LYS 87 HA LYS 87 15.736 19.055 -24.402 638 1HB LYS 87 HB2 LYS 87 14.683 17.699 -26.917 639 2HB LYS 87 HB3 LYS 87 14.044 17.438 -25.288 640 1HG LYS 87 HG2 LYS 87 13.543 19.879 -25.092 641 2HG LYS 87 HG3 LYS 87 14.144 20.122 -26.730 642 1HD LYS 87 HD2 LYS 87 12.339 18.395 -27.452 643 2HD LYS 87 HD3 LYS 87 11.647 18.674 -25.831 644 1HE LYS 87 HE2 LYS 87 11.707 21.172 -26.363 645 2HE LYS 87 HE3 LYS 87 12.196 20.747 -28.009 646 1HZ LYS 87 HZ1 LYS 87 9.641 20.112 -26.668 647 2HZ LYS 87 HZ2 LYS 87 9.858 21.073 -27.967 648 3HZ LYS 87 HZ3 LYS 87 10.064 19.461 -28.133 649 H ILE 88 H ILE 88 16.596 17.672 -23.035 650 HA ILE 88 HA ILE 88 18.492 15.620 -23.818 651 HB ILE 88 HB ILE 88 17.079 15.739 -21.130 652 1HG1 ILE 88 HG12 ILE 88 19.288 17.078 -20.477 653 2HG1 ILE 88 HG13 ILE 88 19.215 17.635 -22.142 654 1HG2 ILE 88 HG21 ILE 88 18.529 13.808 -21.610 655 2HG2 ILE 88 HG22 ILE 88 19.891 14.910 -21.903 656 3HG2 ILE 88 HG23 ILE 88 19.153 14.794 -20.293 657 1HD1 ILE 88 HD11 ILE 88 16.952 18.626 -21.652 658 2HD1 ILE 88 HD12 ILE 88 17.047 17.961 -20.007 659 3HD1 ILE 88 HD13 ILE 88 18.186 19.209 -20.534 660 H HIS 89 H HIS 89 18.027 13.294 -23.745 661 HA HIS 89 HA HIS 89 15.148 12.693 -24.243 662 1HB HIS 89 HB2 HIS 89 16.658 13.043 -26.272 663 2HB HIS 89 HB3 HIS 89 17.506 11.574 -25.785 664 HD1 HIS 89 HD1 HIS 89 13.978 12.747 -26.887 665 HD2 HIS 89 HD2 HIS 89 16.361 9.290 -26.528 666 HE1 HIS 89 HE1 HIS 89 12.724 10.871 -28.090 667 H VAL 90 H VAL 90 14.442 10.631 -23.665 668 HA VAL 90 HA VAL 90 16.276 8.974 -21.988 669 HB VAL 90 HB VAL 90 13.318 9.460 -21.451 670 1HG1 VAL 90 HG11 VAL 90 13.810 8.529 -19.259 671 2HG1 VAL 90 HG12 VAL 90 14.424 7.421 -20.497 672 3HG1 VAL 90 HG13 VAL 90 15.546 8.460 -19.618 673 1HG2 VAL 90 HG21 VAL 90 13.986 10.959 -19.569 674 2HG2 VAL 90 HG22 VAL 90 15.635 11.009 -20.227 675 3HG2 VAL 90 HG23 VAL 90 14.273 11.660 -21.161 676 H TYR 91 H TYR 91 16.373 6.879 -22.776 677 HA TYR 91 HA TYR 91 14.133 5.617 -24.109 678 1HB TYR 91 HB2 TYR 91 15.036 5.462 -26.309 679 2HB TYR 91 HB3 TYR 91 14.873 7.133 -25.895 680 HD1 TYR 91 HD1 TYR 91 17.871 6.430 -24.217 681 HD2 TYR 91 HD2 TYR 91 16.261 6.627 -28.217 682 HE1 TYR 91 HE1 TYR 91 20.083 6.985 -25.062 683 HE2 TYR 91 HE2 TYR 91 18.511 7.167 -29.088 684 HH TYR 91 HH TYR 91 20.730 7.641 -28.550 685 H GLY 92 H GLY 92 15.553 3.631 -25.518 686 1HA GLY 92 HA2 GLY 92 16.914 1.802 -25.280 687 2HA GLY 92 HA3 GLY 92 17.772 2.627 -23.966 688 H TYR 93 H TYR 93 17.740 0.348 -23.108 689 HA TYR 93 HA TYR 93 15.482 0.027 -21.262 690 1HB TYR 93 HB2 TYR 93 15.064 -2.304 -21.900 691 2HB TYR 93 HB3 TYR 93 14.609 -1.182 -23.165 692 HD1 TYR 93 HD1 TYR 93 15.946 -1.030 -25.281 693 HD2 TYR 93 HD2 TYR 93 16.759 -4.000 -22.256 694 HE1 TYR 93 HE1 TYR 93 17.226 -2.353 -26.931 695 HE2 TYR 93 HE2 TYR 93 18.044 -5.329 -23.893 696 HH TYR 93 HH TYR 93 18.792 -5.487 -26.092 697 H SER 94 H SER 94 16.048 -1.079 -19.387 698 HA SER 94 HA SER 94 18.834 -1.699 -18.891 699 1HB SER 94 HB2 SER 94 16.247 -2.356 -17.418 700 2HB SER 94 HB3 SER 94 17.867 -2.649 -16.765 701 HG SER 94 HG SER 94 18.254 -0.406 -16.903 702 H MET 95 H MET 95 19.812 -3.764 -18.914 703 HA MET 95 HA MET 95 18.657 -5.775 -20.629 704 1HB MET 95 HB2 MET 95 21.071 -5.353 -20.390 705 2HB MET 95 HB3 MET 95 21.038 -5.875 -18.711 706 1HG MET 95 HG2 MET 95 20.270 -7.630 -21.078 707 2HG MET 95 HG3 MET 95 21.900 -7.529 -20.436 708 1HE MET 95 HE1 MET 95 21.533 -7.550 -17.228 709 2HE MET 95 HE2 MET 95 21.680 -9.298 -16.967 710 3HE MET 95 HE3 MET 95 22.727 -8.491 -18.155 711 H ALA 96 H ALA 96 19.197 -5.556 -17.080 712 HA ALA 96 HA ALA 96 17.895 -8.089 -16.588 713 1HB ALA 96 HB1 ALA 96 18.353 -7.614 -14.240 714 2HB ALA 96 HB2 ALA 96 19.784 -7.231 -15.211 715 3HB ALA 96 HB3 ALA 96 18.729 -5.925 -14.604 716 H TYR 97 H TYR 97 16.740 -4.756 -16.651 717 HA TYR 97 HA TYR 97 14.265 -5.563 -15.194 718 1HB TYR 97 HB2 TYR 97 15.297 -2.743 -15.446 719 2HB TYR 97 HB3 TYR 97 14.121 -3.384 -14.318 720 HD1 TYR 97 HD1 TYR 97 16.899 -1.764 -14.015 721 HD2 TYR 97 HD2 TYR 97 15.582 -5.805 -13.245 722 HE1 TYR 97 HE1 TYR 97 18.611 -1.989 -12.233 723 HE2 TYR 97 HE2 TYR 97 17.339 -6.064 -11.539 724 HH TYR 97 HH TYR 97 19.096 -5.060 -10.415 725 H GLY 98 H GLY 98 15.263 -4.754 -18.361 726 1HA GLY 98 HA2 GLY 98 14.026 -4.408 -20.244 727 2HA GLY 98 HA3 GLY 98 12.539 -4.495 -19.292 728 HA PRO 99 HA PRO 99 13.370 -0.030 -20.547 729 1HB PRO 99 HB2 PRO 99 11.077 0.394 -22.004 730 2HB PRO 99 HB3 PRO 99 12.593 -0.221 -22.715 731 1HG PRO 99 HG2 PRO 99 10.160 -1.793 -21.843 732 2HG PRO 99 HG3 PRO 99 11.129 -1.982 -23.337 733 1HD PRO 99 HD2 PRO 99 11.451 -3.583 -21.133 734 2HD PRO 99 HD3 PRO 99 12.818 -3.152 -22.200 735 H ALA 100 H ALA 100 12.633 1.535 -19.205 736 HA ALA 100 HA ALA 100 10.478 1.045 -17.270 737 1HB ALA 100 HB1 ALA 100 12.447 2.417 -16.635 738 2HB ALA 100 HB2 ALA 100 12.171 3.447 -18.050 739 3HB ALA 100 HB3 ALA 100 11.028 3.455 -16.689 740 H GLN 101 H GLN 101 8.772 2.806 -17.077 741 HA GLN 101 HA GLN 101 7.533 3.480 -19.681 742 1HB GLN 101 HB2 GLN 101 6.723 4.049 -16.791 743 2HB GLN 101 HB3 GLN 101 5.833 4.610 -18.211 744 1HG GLN 101 HG2 GLN 101 6.254 1.736 -17.345 745 2HG GLN 101 HG3 GLN 101 4.767 2.699 -17.242 746 1HE2 GLN 101 HE22 GLN 101 3.813 3.480 -19.383 747 2HE2 GLN 101 HE21 GLN 101 3.996 2.445 -20.774 748 H HIS 102 H HIS 102 9.452 4.718 -20.380 749 HA HIS 102 HA HIS 102 10.594 6.791 -18.911 750 1HB HIS 102 HB2 HIS 102 10.307 6.659 -21.924 751 2HB HIS 102 HB3 HIS 102 11.495 7.604 -21.035 752 HD1 HIS 102 HD1 HIS 102 11.122 4.180 -22.527 753 HD2 HIS 102 HD2 HIS 102 13.057 5.965 -19.255 754 HE1 HIS 102 HE1 HIS 102 12.826 2.489 -21.653 755 H ALA 103 H ALA 103 7.462 6.823 -20.407 756 HA ALA 103 HA ALA 103 6.888 9.565 -20.635 757 1HB ALA 103 HB1 ALA 103 5.350 7.751 -21.306 758 2HB ALA 103 HB2 ALA 103 5.171 7.240 -19.610 759 3HB ALA 103 HB3 ALA 103 4.556 8.823 -20.140 760 H ILE 104 H ILE 104 7.086 7.477 -17.715 761 HA ILE 104 HA ILE 104 5.994 9.364 -15.835 762 HB ILE 104 HB ILE 104 8.022 7.123 -15.420 763 1HG1 ILE 104 HG12 ILE 104 5.902 6.276 -16.457 764 2HG1 ILE 104 HG13 ILE 104 6.321 5.585 -14.902 765 1HG2 ILE 104 HG21 ILE 104 8.042 8.527 -13.500 766 2HG2 ILE 104 HG22 ILE 104 6.270 8.610 -13.432 767 3HG2 ILE 104 HG23 ILE 104 7.116 7.087 -13.070 768 1HD1 ILE 104 HD11 ILE 104 3.914 6.017 -15.163 769 2HD1 ILE 104 HD12 ILE 104 4.609 6.879 -13.781 770 3HD1 ILE 104 HD13 ILE 104 4.237 7.765 -15.289 771 H SER 105 H SER 105 9.337 8.468 -16.871 772 HA SER 105 HA SER 105 10.746 10.233 -15.283 773 1HB SER 105 HB2 SER 105 11.474 9.379 -18.111 774 2HB SER 105 HB3 SER 105 12.564 9.843 -16.814 775 HG SER 105 HG SER 105 12.303 7.548 -17.089 776 H THR 106 H THR 106 9.627 10.775 -18.703 777 HA THR 106 HA THR 106 10.743 13.377 -18.797 778 HB THR 106 HB THR 106 9.166 13.669 -20.776 779 HG1 THR 106 HG1 THR 106 8.042 11.883 -21.434 780 1HG2 THR 106 HG21 THR 106 11.512 12.854 -20.935 781 2HG2 THR 106 HG22 THR 106 10.940 11.186 -20.725 782 3HG2 THR 106 HG23 THR 106 10.451 12.126 -22.154 783 H GLU 107 H GLU 107 7.376 12.362 -17.868 784 HA GLU 107 HA GLU 107 6.445 15.027 -17.574 785 1HB GLU 107 HB2 GLU 107 5.629 12.405 -16.262 786 2HB GLU 107 HB3 GLU 107 4.855 13.942 -15.856 787 1HG GLU 107 HG2 GLU 107 4.283 14.309 -18.241 788 2HG GLU 107 HG3 GLU 107 4.996 12.756 -18.660 789 H LYS 108 H LYS 108 8.086 12.864 -15.194 790 HA LYS 108 HA LYS 108 7.985 14.769 -13.046 791 1HB LYS 108 HB2 LYS 108 9.782 12.375 -13.614 792 2HB LYS 108 HB3 LYS 108 9.886 13.348 -12.137 793 1HG LYS 108 HG2 LYS 108 7.594 12.869 -11.541 794 2HG LYS 108 HG3 LYS 108 7.338 11.953 -13.027 795 1HD LYS 108 HD2 LYS 108 8.923 10.261 -12.379 796 2HD LYS 108 HD3 LYS 108 9.474 11.187 -10.978 797 1HE LYS 108 HE2 LYS 108 6.544 10.463 -11.266 798 2HE LYS 108 HE3 LYS 108 7.690 9.256 -10.666 799 1HZ LYS 108 HZ1 LYS 108 6.533 10.835 -8.985 800 2HZ LYS 108 HZ2 LYS 108 8.122 10.454 -8.795 801 3HZ LYS 108 HZ3 LYS 108 7.734 11.897 -9.404 802 H ILE 109 H ILE 109 10.535 14.113 -15.518 803 HA ILE 109 HA ILE 109 12.368 16.041 -14.514 804 HB ILE 109 HB ILE 109 11.968 14.740 -17.229 805 1HG1 ILE 109 HG12 ILE 109 14.317 14.505 -15.288 806 2HG1 ILE 109 HG13 ILE 109 12.891 13.482 -15.125 807 1HG2 ILE 109 HG21 ILE 109 14.234 15.682 -17.831 808 2HG2 ILE 109 HG22 ILE 109 12.992 16.926 -17.706 809 3HG2 ILE 109 HG23 ILE 109 14.150 16.689 -16.393 810 1HD1 ILE 109 HD11 ILE 109 13.231 12.625 -17.449 811 2HD1 ILE 109 HD12 ILE 109 14.738 13.562 -17.553 812 3HD1 ILE 109 HD13 ILE 109 14.587 12.270 -16.364 813 H LYS 110 H LYS 110 9.642 16.378 -16.906 814 HA LYS 110 HA LYS 110 10.225 19.117 -17.473 815 1HB LYS 110 HB2 LYS 110 7.680 17.458 -17.645 816 2HB LYS 110 HB3 LYS 110 7.729 19.163 -18.117 817 1HG LYS 110 HG2 LYS 110 9.397 18.766 -19.807 818 2HG LYS 110 HG3 LYS 110 9.649 17.102 -19.276 819 1HD LYS 110 HD2 LYS 110 7.334 16.515 -19.926 820 2HD LYS 110 HD3 LYS 110 7.075 18.185 -20.492 821 1HE LYS 110 HE2 LYS 110 8.961 17.920 -22.102 822 2HE LYS 110 HE3 LYS 110 9.231 16.277 -21.528 823 1HZ LYS 110 HZ1 LYS 110 6.782 17.230 -22.909 824 2HZ LYS 110 HZ2 LYS 110 7.954 16.290 -23.550 825 3HZ LYS 110 HZ3 LYS 110 7.004 15.706 -22.358 826 H ALA 111 H ALA 111 8.240 17.630 -14.855 827 HA ALA 111 HA ALA 111 7.354 20.125 -13.769 828 1HB ALA 111 HB1 ALA 111 7.817 17.458 -12.359 829 2HB ALA 111 HB2 ALA 111 6.866 18.823 -11.745 830 3HB ALA 111 HB3 ALA 111 6.328 17.952 -13.194 831 H LYS 112 H LYS 112 10.229 18.082 -13.027 832 HA LYS 112 HA LYS 112 11.351 19.743 -10.994 833 1HB LYS 112 HB2 LYS 112 11.922 17.360 -11.442 834 2HB LYS 112 HB3 LYS 112 12.692 17.839 -12.946 835 1HG LYS 112 HG2 LYS 112 14.443 17.558 -11.393 836 2HG LYS 112 HG3 LYS 112 14.261 19.299 -11.578 837 1HD LYS 112 HD2 LYS 112 13.042 19.449 -9.453 838 2HD LYS 112 HD3 LYS 112 13.071 17.678 -9.284 839 1HE LYS 112 HE2 LYS 112 15.539 17.708 -9.202 840 2HE LYS 112 HE3 LYS 112 15.545 19.461 -9.441 841 1HZ LYS 112 HZ1 LYS 112 14.411 19.692 -7.310 842 2HZ LYS 112 HZ2 LYS 112 14.402 18.071 -7.085 843 3HZ LYS 112 HZ3 LYS 112 15.811 18.887 -7.117 844 H TYR 113 H TYR 113 11.658 19.805 -14.515 845 HA TYR 113 HA TYR 113 12.808 20.966 -15.978 846 1HB TYR 113 HB2 TYR 113 11.042 22.602 -15.246 847 2HB TYR 113 HB3 TYR 113 12.263 23.416 -14.285 848 HD1 TYR 113 HD1 TYR 113 13.794 24.965 -15.357 849 HD2 TYR 113 HD2 TYR 113 11.337 22.349 -17.754 850 HE1 TYR 113 HE1 TYR 113 14.434 26.233 -17.382 851 HE2 TYR 113 HE2 TYR 113 11.964 23.617 -19.788 852 HH TYR 113 HH TYR 113 14.157 26.465 -19.682 853 HA PRO 114 HA PRO 114 16.521 20.828 -13.176 854 1HB PRO 114 HB2 PRO 114 17.914 18.751 -14.306 855 2HB PRO 114 HB3 PRO 114 16.550 18.500 -13.173 856 1HG PRO 114 HG2 PRO 114 16.474 18.437 -16.197 857 2HG PRO 114 HG3 PRO 114 15.803 17.255 -15.023 858 1HD PRO 114 HD2 PRO 114 14.257 19.208 -16.153 859 2HD PRO 114 HD3 PRO 114 14.026 18.676 -14.464 860 H ASP 115 H ASP 115 16.189 21.066 -16.669 861 HA ASP 115 HA ASP 115 18.158 23.188 -16.709 862 1HB ASP 115 HB2 ASP 115 19.691 21.277 -17.050 863 2HB ASP 115 HB3 ASP 115 18.706 20.714 -18.401 864 H TYR 116 H TYR 116 16.164 20.940 -18.750 865 HA TYR 116 HA TYR 116 14.849 23.185 -20.044 866 1HB TYR 116 HB2 TYR 116 17.087 22.793 -21.269 867 2HB TYR 116 HB3 TYR 116 16.444 21.232 -21.750 868 HD1 TYR 116 HD1 TYR 116 15.450 24.876 -21.692 869 HD2 TYR 116 HD2 TYR 116 15.400 21.163 -23.876 870 HE1 TYR 116 HE1 TYR 116 14.315 26.011 -23.571 871 HE2 TYR 116 HE2 TYR 116 14.296 22.300 -25.788 872 HH TYR 116 HH TYR 116 13.386 25.770 -25.704 873 H GLU 117 H GLU 117 13.455 22.042 -21.955 874 HA GLU 117 HA GLU 117 11.754 20.026 -20.761 875 1HB GLU 117 HB2 GLU 117 11.008 21.820 -22.341 876 2HB GLU 117 HB3 GLU 117 11.901 21.023 -23.646 877 1HG GLU 117 HG2 GLU 117 10.444 19.066 -23.492 878 2HG GLU 117 HG3 GLU 117 9.673 19.734 -22.040 879 H VAL 118 H VAL 118 11.362 17.900 -21.944 880 HA VAL 118 HA VAL 118 13.765 16.711 -23.146 881 HB VAL 118 HB VAL 118 13.562 14.794 -21.550 882 1HG1 VAL 118 HG11 VAL 118 14.958 15.749 -19.917 883 2HG1 VAL 118 HG12 VAL 118 15.172 16.789 -21.331 884 3HG1 VAL 118 HG13 VAL 118 14.154 17.340 -20.001 885 1HG2 VAL 118 HG21 VAL 118 11.225 15.265 -20.741 886 2HG2 VAL 118 HG22 VAL 118 12.414 14.961 -19.471 887 3HG2 VAL 118 HG23 VAL 118 11.876 16.622 -19.800 888 H THR 119 H THR 119 13.300 14.466 -23.936 889 HA THR 119 HA THR 119 10.444 13.919 -24.502 890 HB THR 119 HB THR 119 11.188 13.421 -26.903 891 HG1 THR 119 HG1 THR 119 13.011 14.758 -27.542 892 1HG2 THR 119 HG21 THR 119 10.912 15.729 -27.646 893 2HG2 THR 119 HG22 THR 119 9.817 15.382 -26.299 894 3HG2 THR 119 HG23 THR 119 11.282 16.338 -26.015 895 H TRP 120 H TRP 120 10.366 11.646 -25.690 896 HA TRP 120 HA TRP 120 12.513 9.873 -24.836 897 1HB TRP 120 HB2 TRP 120 11.118 8.309 -23.669 898 2HB TRP 120 HB3 TRP 120 10.947 9.855 -22.872 899 HD1 TRP 120 HD1 TRP 120 8.567 11.203 -23.926 900 HE1 TRP 120 HE1 TRP 120 6.213 10.222 -23.979 901 HE3 TRP 120 HE3 TRP 120 9.785 6.231 -24.059 902 HZ2 TRP 120 HZ2 TRP 120 4.994 7.589 -24.007 903 HZ3 TRP 120 HZ3 TRP 120 8.007 4.513 -24.015 904 HH2 TRP 120 HH2 TRP 120 5.611 5.173 -24.005 905 H ALA 121 H ALA 121 12.126 7.644 -25.661 906 HA ALA 121 HA ALA 121 10.065 7.322 -27.671 907 1HB ALA 121 HB1 ALA 121 11.937 8.242 -29.050 908 2HB ALA 121 HB2 ALA 121 13.035 7.006 -28.390 909 3HB ALA 121 HB3 ALA 121 11.669 6.524 -29.419 910 H ASN 122 H ASN 122 9.546 5.117 -27.835 911 HA ASN 122 HA ASN 122 10.708 3.328 -25.799 912 1HB ASN 122 HB2 ASN 122 8.247 3.524 -26.054 913 2HB ASN 122 HB3 ASN 122 8.377 2.929 -27.710 914 1HD2 ASN 122 HD22 ASN 122 7.154 0.985 -27.326 915 2HD2 ASN 122 HD21 ASN 122 7.754 -0.302 -26.313 916 H ASP 123 H ASP 123 12.716 3.809 -27.344 917 HA ASP 123 HA ASP 123 13.194 1.524 -29.109 918 1HB ASP 123 HB2 ASP 123 12.044 3.435 -30.463 919 2HB ASP 123 HB3 ASP 123 13.547 4.324 -30.241 920 H GLY 124 H GLY 124 15.677 2.524 -30.166 921 1HA GLY 124 HA2 GLY 124 17.851 2.972 -29.551 922 2HA GLY 124 HA3 GLY 124 17.274 3.679 -28.040 923 H TYR 125 H TYR 125 19.206 2.555 -27.175 924 HA TYR 125 HA TYR 125 18.650 -0.195 -26.265 925 1HB TYR 125 HB2 TYR 125 21.275 0.713 -27.529 926 2HB TYR 125 HB3 TYR 125 21.024 -0.794 -26.670 927 HD1 TYR 125 HD1 TYR 125 19.689 -2.628 -27.654 928 HD2 TYR 125 HD2 TYR 125 20.440 1.022 -29.825 929 HE1 TYR 125 HE1 TYR 125 18.965 -3.735 -29.749 930 HE2 TYR 125 HE2 TYR 125 19.722 -0.069 -31.928 931 HH TYR 125 HH TYR 125 18.928 -2.026 -32.916 Start of MODEL 14 1 1H MET 1 H1 MET 1 13.907 10.374 16.524 2 2H MET 1 H2 MET 1 13.084 8.994 16.237 3 3H MET 1 H3 MET 1 14.660 8.932 16.702 4 HA MET 1 HA MET 1 15.355 10.002 14.661 5 1HB MET 1 HB2 MET 1 13.652 7.495 14.294 6 2HB MET 1 HB3 MET 1 14.634 8.201 13.013 7 1HG MET 1 HG2 MET 1 15.703 7.157 15.660 8 2HG MET 1 HG3 MET 1 15.782 6.347 14.100 9 1HE MET 1 HE1 MET 1 18.305 6.742 15.961 10 2HE MET 1 HE2 MET 1 18.357 5.939 14.374 11 3HE MET 1 HE3 MET 1 19.530 7.217 14.763 12 H ALA 2 H ALA 2 14.845 11.371 13.009 13 HA ALA 2 HA ALA 2 12.162 12.383 12.630 14 1HB ALA 2 HB1 ALA 2 13.174 13.553 10.701 15 2HB ALA 2 HB2 ALA 2 14.189 13.732 12.144 16 3HB ALA 2 HB3 ALA 2 14.650 12.582 10.864 17 H VAL 3 H VAL 3 10.951 12.149 10.562 18 HA VAL 3 HA VAL 3 11.377 9.570 9.179 19 HB VAL 3 HB VAL 3 9.918 9.081 11.026 20 1HG1 VAL 3 HG11 VAL 3 7.704 10.061 11.354 21 2HG1 VAL 3 HG12 VAL 3 8.962 11.282 11.556 22 3HG1 VAL 3 HG13 VAL 3 8.001 11.235 10.060 23 1HG2 VAL 3 HG21 VAL 3 9.461 7.981 8.843 24 2HG2 VAL 3 HG22 VAL 3 8.040 8.092 9.887 25 3HG2 VAL 3 HG23 VAL 3 8.213 9.200 8.517 26 H ALA 4 H ALA 4 11.081 9.709 7.057 27 HA ALA 4 HA ALA 4 10.528 12.285 5.816 28 1HB ALA 4 HB1 ALA 4 11.049 9.542 4.574 29 2HB ALA 4 HB2 ALA 4 11.127 11.109 3.750 30 3HB ALA 4 HB3 ALA 4 12.305 10.722 5.009 31 H ASP 5 H ASP 5 9.164 11.880 3.616 32 HA ASP 5 HA ASP 5 6.784 10.242 3.887 33 1HB ASP 5 HB2 ASP 5 6.013 12.308 5.010 34 2HB ASP 5 HB3 ASP 5 6.622 13.285 3.672 35 H LEU 6 H LEU 6 5.817 10.072 1.646 36 HA LEU 6 HA LEU 6 7.825 9.946 -0.324 37 1HB LEU 6 HB2 LEU 6 4.789 10.000 -0.612 38 2HB LEU 6 HB3 LEU 6 5.911 9.603 -1.889 39 HG LEU 6 HG LEU 6 5.263 7.985 0.572 40 1HD1 LEU 6 HD11 LEU 6 5.277 7.423 -2.427 41 2HD1 LEU 6 HD12 LEU 6 4.844 6.251 -1.177 42 3HD1 LEU 6 HD13 LEU 6 3.844 7.695 -1.410 43 1HD2 LEU 6 HD21 LEU 6 7.664 7.795 0.500 44 2HD2 LEU 6 HD22 LEU 6 6.985 6.322 -0.176 45 3HD2 LEU 6 HD23 LEU 6 7.652 7.544 -1.266 46 H ALA 7 H ALA 7 5.690 12.693 0.483 47 HA ALA 7 HA ALA 7 6.231 14.120 -1.937 48 1HB ALA 7 HB1 ALA 7 5.393 15.151 0.804 49 2HB ALA 7 HB2 ALA 7 5.301 16.046 -0.725 50 3HB ALA 7 HB3 ALA 7 4.289 14.609 -0.484 51 H LEU 8 H LEU 8 8.048 13.590 1.016 52 HA LEU 8 HA LEU 8 9.766 15.967 0.656 53 1HB LEU 8 HB2 LEU 8 9.763 13.779 2.775 54 2HB LEU 8 HB3 LEU 8 10.807 15.191 2.773 55 HG LEU 8 HG LEU 8 7.765 15.282 2.988 56 1HD1 LEU 8 HD11 LEU 8 8.168 15.902 5.337 57 2HD1 LEU 8 HD12 LEU 8 8.819 14.298 4.981 58 3HD1 LEU 8 HD13 LEU 8 9.919 15.689 5.106 59 1HD2 LEU 8 HD21 LEU 8 9.844 17.501 3.230 60 2HD2 LEU 8 HD22 LEU 8 8.600 17.345 1.968 61 3HD2 LEU 8 HD23 LEU 8 8.120 17.659 3.636 62 H ILE 9 H ILE 9 9.817 12.452 0.158 63 HA ILE 9 HA ILE 9 12.581 12.047 -0.084 64 HB ILE 9 HB ILE 9 10.199 10.730 -1.410 65 1HG1 ILE 9 HG12 ILE 9 12.135 9.895 0.807 66 2HG1 ILE 9 HG13 ILE 9 10.501 10.496 1.049 67 1HG2 ILE 9 HG21 ILE 9 13.112 9.855 -1.614 68 2HG2 ILE 9 HG22 ILE 9 11.716 8.882 -2.117 69 3HG2 ILE 9 HG23 ILE 9 12.075 10.373 -2.958 70 1HD1 ILE 9 HD11 ILE 9 10.301 8.188 1.289 71 2HD1 ILE 9 HD12 ILE 9 9.710 8.502 -0.359 72 3HD1 ILE 9 HD13 ILE 9 11.339 7.836 -0.104 73 HA PRO 10 HA PRO 10 13.551 14.705 -3.642 74 1HB PRO 10 HB2 PRO 10 15.728 12.635 -4.002 75 2HB PRO 10 HB3 PRO 10 15.845 14.419 -4.094 76 1HG PRO 10 HG2 PRO 10 16.662 13.107 -1.865 77 2HG PRO 10 HG3 PRO 10 15.716 14.623 -1.718 78 1HD PRO 10 HD2 PRO 10 14.746 11.771 -1.448 79 2HD PRO 10 HD3 PRO 10 14.355 13.208 -0.452 80 H ASP 11 H ASP 11 12.687 14.600 -5.696 81 HA ASP 11 HA ASP 11 11.502 12.030 -6.425 82 1HB ASP 11 HB2 ASP 11 10.351 14.325 -6.268 83 2HB ASP 11 HB3 ASP 11 11.074 14.666 -7.844 84 H VAL 12 H VAL 12 13.719 14.407 -7.983 85 HA VAL 12 HA VAL 12 14.613 12.307 -9.875 86 HB VAL 12 HB VAL 12 13.872 15.149 -10.681 87 1HG1 VAL 12 HG11 VAL 12 14.837 12.808 -12.380 88 2HG1 VAL 12 HG12 VAL 12 14.272 14.381 -12.985 89 3HG1 VAL 12 HG13 VAL 12 15.739 14.299 -12.025 90 1HG2 VAL 12 HG21 VAL 12 12.134 14.072 -12.111 91 2HG2 VAL 12 HG22 VAL 12 12.431 12.533 -11.274 92 3HG2 VAL 12 HG23 VAL 12 11.796 13.932 -10.390 93 H ASP 13 H ASP 13 16.817 12.452 -10.289 94 HA ASP 13 HA ASP 13 18.258 14.920 -9.937 95 1HB ASP 13 HB2 ASP 13 18.372 14.164 -7.599 96 2HB ASP 13 HB3 ASP 13 18.946 12.579 -8.114 97 H ILE 14 H ILE 14 19.456 14.911 -11.761 98 HA ILE 14 HA ILE 14 20.793 12.494 -12.708 99 HB ILE 14 HB ILE 14 20.023 12.838 -15.018 100 1HG1 ILE 14 HG12 ILE 14 17.867 14.694 -13.920 101 2HG1 ILE 14 HG13 ILE 14 19.285 15.221 -14.832 102 1HG2 ILE 14 HG21 ILE 14 17.941 11.639 -14.847 103 2HG2 ILE 14 HG22 ILE 14 18.976 11.140 -13.511 104 3HG2 ILE 14 HG23 ILE 14 17.641 12.270 -13.213 105 1HD1 ILE 14 HD11 ILE 14 18.534 13.823 -16.768 106 2HD1 ILE 14 HD12 ILE 14 17.032 13.470 -15.876 107 3HD1 ILE 14 HD13 ILE 14 17.418 15.132 -16.338 108 H ASP 15 H ASP 15 22.525 13.088 -14.252 109 HA ASP 15 HA ASP 15 23.793 15.602 -13.591 110 1HB ASP 15 HB2 ASP 15 25.103 13.618 -14.186 111 2HB ASP 15 HB3 ASP 15 24.404 13.614 -15.806 112 H SER 16 H SER 16 23.845 17.524 -14.741 113 HA SER 16 HA SER 16 21.524 18.217 -16.082 114 1HB SER 16 HB2 SER 16 24.147 19.746 -16.147 115 2HB SER 16 HB3 SER 16 22.500 20.401 -16.187 116 HG SER 16 HG SER 16 23.457 20.566 -14.106 117 H ASP 17 H ASP 17 24.561 17.029 -17.556 118 HA ASP 17 HA ASP 17 23.427 17.118 -20.220 119 1HB ASP 17 HB2 ASP 17 23.980 19.468 -20.200 120 2HB ASP 17 HB3 ASP 17 25.569 19.153 -19.494 121 H GLY 18 H GLY 18 24.062 15.036 -20.642 122 1HA GLY 18 HA2 GLY 18 26.745 14.391 -21.238 123 2HA GLY 18 HA3 GLY 18 26.350 13.753 -19.631 124 H VAL 19 H VAL 19 26.756 11.688 -20.803 125 HA VAL 19 HA VAL 19 24.233 10.557 -21.878 126 HB VAL 19 HB VAL 19 27.075 10.108 -22.910 127 1HG1 VAL 19 HG11 VAL 19 26.057 8.488 -24.504 128 2HG1 VAL 19 HG12 VAL 19 25.961 7.941 -22.829 129 3HG1 VAL 19 HG13 VAL 19 24.521 8.607 -23.621 130 1HG2 VAL 19 HG21 VAL 19 26.041 12.101 -23.895 131 2HG2 VAL 19 HG22 VAL 19 26.132 10.813 -25.097 132 3HG2 VAL 19 HG23 VAL 19 24.585 11.172 -24.303 133 H PHE 20 H PHE 20 23.598 9.025 -20.418 134 HA PHE 20 HA PHE 20 25.494 7.335 -18.997 135 1HB PHE 20 HB2 PHE 20 24.676 8.124 -16.749 136 2HB PHE 20 HB3 PHE 20 25.783 9.205 -17.567 137 HD1 PHE 20 HD1 PHE 20 22.266 8.767 -16.467 138 HD2 PHE 20 HD2 PHE 20 25.086 11.406 -18.376 139 HE1 PHE 20 HE1 PHE 20 20.680 10.657 -16.203 140 HE2 PHE 20 HE2 PHE 20 23.472 13.280 -18.166 141 HZ PHE 20 HZ PHE 20 21.280 12.915 -17.067 142 H LYS 21 H LYS 21 24.222 5.871 -17.456 143 HA LYS 21 HA LYS 21 21.689 5.147 -18.826 144 1HB LYS 21 HB2 LYS 21 23.507 3.576 -16.956 145 2HB LYS 21 HB3 LYS 21 21.867 3.092 -17.368 146 1HG LYS 21 HG2 LYS 21 23.361 1.857 -18.741 147 2HG LYS 21 HG3 LYS 21 22.374 2.931 -19.718 148 1HD LYS 21 HD2 LYS 21 24.613 2.789 -20.595 149 2HD LYS 21 HD3 LYS 21 24.305 4.437 -20.058 150 1HE LYS 21 HE2 LYS 21 25.603 3.993 -17.975 151 2HE LYS 21 HE3 LYS 21 25.837 2.318 -18.488 152 1HZ LYS 21 HZ1 LYS 21 27.775 3.722 -19.009 153 2HZ LYS 21 HZ2 LYS 21 27.122 3.094 -20.365 154 3HZ LYS 21 HZ3 LYS 21 26.869 4.664 -19.986 155 H TYR 22 H TYR 22 19.831 4.560 -17.396 156 HA TYR 22 HA TYR 22 19.782 5.984 -14.819 157 1HB TYR 22 HB2 TYR 22 18.524 7.702 -15.468 158 2HB TYR 22 HB3 TYR 22 19.000 7.327 -17.100 159 HD1 TYR 22 HD1 TYR 22 16.277 7.470 -14.704 160 HD2 TYR 22 HD2 TYR 22 17.496 5.777 -18.472 161 HE1 TYR 22 HE1 TYR 22 13.939 6.704 -15.112 162 HE2 TYR 22 HE2 TYR 22 15.195 4.992 -18.873 163 HH TYR 22 HH TYR 22 13.091 4.733 -17.935 164 H VAL 23 H VAL 23 17.597 5.547 -13.718 165 HA VAL 23 HA VAL 23 16.265 3.096 -14.622 166 HB VAL 23 HB VAL 23 18.228 2.466 -13.152 167 1HG1 VAL 23 HG11 VAL 23 16.569 3.709 -10.919 168 2HG1 VAL 23 HG12 VAL 23 18.049 2.753 -10.729 169 3HG1 VAL 23 HG13 VAL 23 18.097 4.338 -11.533 170 1HG2 VAL 23 HG21 VAL 23 15.499 1.635 -12.119 171 2HG2 VAL 23 HG22 VAL 23 16.382 0.926 -13.488 172 3HG2 VAL 23 HG23 VAL 23 17.042 0.794 -11.856 173 H LEU 24 H LEU 24 14.192 2.817 -13.608 174 HA LEU 24 HA LEU 24 13.035 5.289 -12.409 175 1HB LEU 24 HB2 LEU 24 12.361 4.730 -14.781 176 2HB LEU 24 HB3 LEU 24 11.683 3.227 -14.175 177 HG LEU 24 HG LEU 24 10.764 6.083 -13.592 178 1HD1 LEU 24 HD11 LEU 24 9.439 3.700 -14.942 179 2HD1 LEU 24 HD12 LEU 24 8.676 5.260 -14.642 180 3HD1 LEU 24 HD13 LEU 24 10.078 5.182 -15.730 181 1HD2 LEU 24 HD21 LEU 24 8.830 4.963 -12.401 182 2HD2 LEU 24 HD22 LEU 24 9.831 3.511 -12.267 183 3HD2 LEU 24 HD23 LEU 24 10.336 5.049 -11.503 184 H ILE 25 H ILE 25 12.496 4.774 -10.210 185 HA ILE 25 HA ILE 25 11.794 1.942 -9.703 186 HB ILE 25 HB ILE 25 13.287 1.535 -8.256 187 1HG1 ILE 25 HG12 ILE 25 13.367 4.267 -6.976 188 2HG1 ILE 25 HG13 ILE 25 12.244 2.990 -6.510 189 1HG2 ILE 25 HG21 ILE 25 14.818 4.038 -8.999 190 2HG2 ILE 25 HG22 ILE 25 15.500 2.502 -8.432 191 3HG2 ILE 25 HG23 ILE 25 14.731 2.561 -10.006 192 1HD1 ILE 25 HD11 ILE 25 15.257 2.843 -6.284 193 2HD1 ILE 25 HD12 ILE 25 14.066 2.943 -4.978 194 3HD1 ILE 25 HD13 ILE 25 14.142 1.487 -5.996 195 H ARG 26 H ARG 26 10.159 1.483 -8.428 196 HA ARG 26 HA ARG 26 8.332 3.658 -7.611 197 1HB ARG 26 HB2 ARG 26 7.415 1.673 -8.697 198 2HB ARG 26 HB3 ARG 26 8.145 0.607 -7.502 199 1HG ARG 26 HG2 ARG 26 6.678 1.291 -5.784 200 2HG ARG 26 HG3 ARG 26 6.223 2.786 -6.608 201 1HD ARG 26 HD2 ARG 26 5.512 0.034 -7.690 202 2HD ARG 26 HD3 ARG 26 4.466 0.950 -6.584 203 HE ARG 26 HE ARG 26 4.954 2.808 -8.474 204 1HH1 ARG 26 HH11 ARG 26 3.719 -0.518 -8.752 205 2HH1 ARG 26 HH12 ARG 26 2.808 -0.203 -10.181 206 1HH2 ARG 26 HH21 ARG 26 3.787 3.234 -10.359 207 2HH2 ARG 26 HH22 ARG 26 2.830 1.993 -11.110 208 H VAL 27 H VAL 27 7.903 4.060 -5.446 209 HA VAL 27 HA VAL 27 9.595 2.805 -3.339 210 HB VAL 27 HB VAL 27 8.967 5.749 -3.808 211 1HG1 VAL 27 HG11 VAL 27 10.964 4.605 -1.854 212 2HG1 VAL 27 HG12 VAL 27 10.486 6.300 -2.045 213 3HG1 VAL 27 HG13 VAL 27 9.318 5.135 -1.413 214 1HG2 VAL 27 HG21 VAL 27 11.611 4.363 -4.320 215 2HG2 VAL 27 HG22 VAL 27 10.548 5.135 -5.521 216 3HG2 VAL 27 HG23 VAL 27 11.342 6.123 -4.301 217 H HIS 28 H HIS 28 8.221 2.117 -1.703 218 HA HIS 28 HA HIS 28 5.370 2.972 -1.746 219 1HB HIS 28 HB2 HIS 28 6.821 0.810 -0.179 220 2HB HIS 28 HB3 HIS 28 5.079 1.084 -0.214 221 HD1 HIS 28 HD1 HIS 28 4.256 1.124 -3.146 222 HD2 HIS 28 HD2 HIS 28 7.460 -1.198 -1.696 223 HE1 HIS 28 HE1 HIS 28 4.595 -0.760 -4.816 224 H SER 29 H SER 29 4.328 3.768 0.122 225 HA SER 29 HA SER 29 5.811 5.511 1.850 226 1HB SER 29 HB2 SER 29 2.976 4.476 2.166 227 2HB SER 29 HB3 SER 29 3.684 5.872 2.986 228 HG SER 29 HG SER 29 3.215 5.518 0.206 229 H ALA 30 H ALA 30 7.415 4.088 2.776 230 HA ALA 30 HA ALA 30 6.384 2.964 5.295 231 1HB ALA 30 HB1 ALA 30 7.810 0.981 5.139 232 2HB ALA 30 HB2 ALA 30 6.688 1.043 3.774 233 3HB ALA 30 HB3 ALA 30 8.389 1.491 3.544 234 HA PRO 31 HA PRO 31 10.535 5.539 5.683 235 1HB PRO 31 HB2 PRO 31 8.444 7.552 6.560 236 2HB PRO 31 HB3 PRO 31 10.155 7.841 6.092 237 1HG PRO 31 HG2 PRO 31 8.197 8.228 4.273 238 2HG PRO 31 HG3 PRO 31 9.670 7.333 3.792 239 1HD PRO 31 HD2 PRO 31 6.957 6.234 4.550 240 2HD PRO 31 HD3 PRO 31 8.061 5.742 3.250 241 H ARG 32 H ARG 32 11.433 5.069 7.545 242 HA ARG 32 HA ARG 32 11.780 3.935 9.449 243 1HB ARG 32 HB2 ARG 32 9.882 6.028 10.563 244 2HB ARG 32 HB3 ARG 32 11.130 5.170 11.460 245 1HG ARG 32 HG2 ARG 32 11.643 7.144 9.188 246 2HG ARG 32 HG3 ARG 32 11.788 7.455 10.920 247 1HD ARG 32 HD2 ARG 32 13.589 5.684 11.007 248 2HD ARG 32 HD3 ARG 32 13.488 5.587 9.233 249 HE ARG 32 HE ARG 32 13.824 8.277 10.366 250 1HH1 ARG 32 HH11 ARG 32 15.534 5.510 8.900 251 2HH1 ARG 32 HH12 ARG 32 16.967 6.403 8.587 252 1HH2 ARG 32 HH21 ARG 32 15.682 9.453 9.894 253 2HH2 ARG 32 HH22 ARG 32 17.050 8.717 9.146 254 H SER 33 H SER 33 9.529 2.779 7.914 255 HA SER 33 HA SER 33 7.831 1.354 8.057 256 1HB SER 33 HB2 SER 33 9.147 0.453 10.645 257 2HB SER 33 HB3 SER 33 8.112 -0.509 9.575 258 HG SER 33 HG SER 33 10.348 -0.907 9.238 259 H GLY 34 H GLY 34 7.259 4.000 9.187 260 1HA GLY 34 HA2 GLY 34 4.961 3.301 10.954 261 2HA GLY 34 HA3 GLY 34 6.187 4.454 11.502 262 H ALA 35 H ALA 35 5.551 4.540 8.089 263 HA ALA 35 HA ALA 35 4.441 7.181 8.163 264 1HB ALA 35 HB1 ALA 35 4.565 5.101 5.933 265 2HB ALA 35 HB2 ALA 35 4.161 6.816 5.714 266 3HB ALA 35 HB3 ALA 35 5.771 6.366 6.305 267 HA PRO 36 HA PRO 36 0.257 6.185 8.927 268 1HB PRO 36 HB2 PRO 36 -1.112 8.366 8.032 269 2HB PRO 36 HB3 PRO 36 0.120 8.474 9.322 270 1HG PRO 36 HG2 PRO 36 0.501 8.994 6.349 271 2HG PRO 36 HG3 PRO 36 0.936 10.070 7.719 272 1HD PRO 36 HD2 PRO 36 2.761 8.407 6.585 273 2HD PRO 36 HD3 PRO 36 2.745 8.694 8.350 274 H ALA 37 H ALA 37 1.254 5.740 5.766 275 HA ALA 37 HA ALA 37 -1.367 4.798 4.807 276 1HB ALA 37 HB1 ALA 37 -1.246 7.239 4.260 277 2HB ALA 37 HB2 ALA 37 0.278 6.952 3.389 278 3HB ALA 37 HB3 ALA 37 -1.240 6.228 2.803 279 H ALA 38 H ALA 38 -0.942 4.005 2.408 280 HA ALA 38 HA ALA 38 1.752 2.833 2.048 281 1HB ALA 38 HB1 ALA 38 0.370 1.107 3.161 282 2HB ALA 38 HB2 ALA 38 -0.826 1.238 1.844 283 3HB ALA 38 HB3 ALA 38 0.827 0.665 1.505 284 H GLU 39 H GLU 39 0.729 5.155 0.882 285 HA GLU 39 HA GLU 39 -0.074 4.522 -1.848 286 1HB GLU 39 HB2 GLU 39 1.042 7.074 -0.580 287 2HB GLU 39 HB3 GLU 39 0.474 6.938 -2.249 288 1HG GLU 39 HG2 GLU 39 -1.787 6.277 -1.401 289 2HG GLU 39 HG3 GLU 39 -1.225 6.555 0.250 290 H SER 40 H SER 40 1.558 5.448 -3.637 291 HA SER 40 HA SER 40 4.356 4.805 -2.940 292 1HB SER 40 HB2 SER 40 3.009 3.701 -5.422 293 2HB SER 40 HB3 SER 40 4.651 3.388 -4.847 294 HG SER 40 HG SER 40 2.212 2.607 -3.611 295 H LYS 41 H LYS 41 5.862 5.572 -4.574 296 HA LYS 41 HA LYS 41 4.866 7.615 -6.466 297 1HB LYS 41 HB2 LYS 41 6.609 9.187 -5.885 298 2HB LYS 41 HB3 LYS 41 5.664 8.865 -4.426 299 1HG LYS 41 HG2 LYS 41 7.400 7.293 -3.637 300 2HG LYS 41 HG3 LYS 41 8.337 7.546 -5.110 301 1HD LYS 41 HD2 LYS 41 7.953 9.523 -2.861 302 2HD LYS 41 HD3 LYS 41 9.393 8.643 -3.353 303 1HE LYS 41 HE2 LYS 41 9.929 10.575 -4.353 304 2HE LYS 41 HE3 LYS 41 9.004 9.862 -5.673 305 1HZ LYS 41 HZ1 LYS 41 7.072 11.189 -4.831 306 2HZ LYS 41 HZ2 LYS 41 8.065 11.905 -3.738 307 3HZ LYS 41 HZ3 LYS 41 8.321 12.082 -5.379 308 H GLU 42 H GLU 42 6.547 8.010 -8.153 309 HA GLU 42 HA GLU 42 8.480 5.756 -8.462 310 1HB GLU 42 HB2 GLU 42 6.725 7.239 -10.455 311 2HB GLU 42 HB3 GLU 42 8.291 6.609 -10.933 312 1HG GLU 42 HG2 GLU 42 6.778 4.946 -11.551 313 2HG GLU 42 HG3 GLU 42 7.582 4.325 -10.115 314 H ILE 43 H ILE 43 10.603 6.405 -8.597 315 HA ILE 43 HA ILE 43 11.181 9.308 -8.978 316 HB ILE 43 HB ILE 43 13.114 9.041 -7.521 317 1HG1 ILE 43 HG12 ILE 43 12.048 6.298 -6.796 318 2HG1 ILE 43 HG13 ILE 43 13.465 6.587 -7.796 319 1HG2 ILE 43 HG21 ILE 43 11.923 9.217 -5.448 320 2HG2 ILE 43 HG22 ILE 43 10.872 9.831 -6.730 321 3HG2 ILE 43 HG23 ILE 43 10.591 8.203 -6.059 322 1HD1 ILE 43 HD11 ILE 43 13.233 7.466 -4.881 323 2HD1 ILE 43 HD12 ILE 43 14.059 6.030 -5.483 324 3HD1 ILE 43 HD13 ILE 43 14.649 7.640 -5.942 325 H VAL 44 H VAL 44 13.308 9.756 -9.806 326 HA VAL 44 HA VAL 44 14.171 7.787 -11.888 327 HB VAL 44 HB VAL 44 13.667 10.791 -12.082 328 1HG1 VAL 44 HG11 VAL 44 14.366 8.849 -14.308 329 2HG1 VAL 44 HG12 VAL 44 14.028 10.578 -14.486 330 3HG1 VAL 44 HG13 VAL 44 15.472 10.056 -13.615 331 1HG2 VAL 44 HG21 VAL 44 11.508 9.603 -11.994 332 2HG2 VAL 44 HG22 VAL 44 11.810 10.278 -13.585 333 3HG2 VAL 44 HG23 VAL 44 12.037 8.531 -13.312 334 H ARG 45 H ARG 45 16.375 7.438 -11.765 335 HA ARG 45 HA ARG 45 18.132 9.703 -10.993 336 1HB ARG 45 HB2 ARG 45 18.445 6.823 -10.001 337 2HB ARG 45 HB3 ARG 45 19.726 8.008 -9.981 338 1HG ARG 45 HG2 ARG 45 17.305 7.890 -8.211 339 2HG ARG 45 HG3 ARG 45 19.027 7.856 -7.827 340 1HD ARG 45 HD2 ARG 45 18.895 9.970 -7.251 341 2HD ARG 45 HD3 ARG 45 18.810 10.342 -8.962 342 HE ARG 45 HE ARG 45 16.460 10.518 -8.843 343 1HH1 ARG 45 HH21 ARG 45 17.850 9.949 -5.614 344 2HH1 ARG 45 HH22 ARG 45 16.371 10.248 -4.776 345 1HH2 ARG 45 HH11 ARG 45 14.500 10.942 -7.716 346 2HH2 ARG 45 HH12 ARG 45 14.454 10.897 -5.993 347 H GLY 46 H GLY 46 20.174 9.591 -12.062 348 1HA GLY 46 HA2 GLY 46 21.049 7.303 -13.506 349 2HA GLY 46 HA3 GLY 46 20.432 8.536 -14.627 350 H TYR 47 H TYR 47 23.267 7.521 -13.784 351 HA TYR 47 HA TYR 47 24.525 10.182 -13.530 352 1HB TYR 47 HB2 TYR 47 25.112 7.899 -11.592 353 2HB TYR 47 HB3 TYR 47 25.907 9.462 -11.636 354 HD1 TYR 47 HD1 TYR 47 23.151 7.560 -10.318 355 HD2 TYR 47 HD2 TYR 47 24.558 11.568 -11.037 356 HE1 TYR 47 HE1 TYR 47 21.612 8.405 -8.564 357 HE2 TYR 47 HE2 TYR 47 22.999 12.432 -9.323 358 HH TYR 47 HH TYR 47 21.382 11.907 -7.761 359 H LYS 48 H LYS 48 26.743 10.120 -14.202 360 HA LYS 48 HA LYS 48 27.366 8.183 -16.168 361 1HB LYS 48 HB2 LYS 48 28.255 10.534 -16.041 362 2HB LYS 48 HB3 LYS 48 29.257 10.055 -14.673 363 1HG LYS 48 HG2 LYS 48 30.589 10.145 -16.675 364 2HG LYS 48 HG3 LYS 48 30.497 8.470 -16.137 365 1HD LYS 48 HD2 LYS 48 28.762 8.006 -17.858 366 2HD LYS 48 HD3 LYS 48 28.807 9.693 -18.380 367 1HE LYS 48 HE2 LYS 48 31.154 7.738 -18.470 368 2HE LYS 48 HE3 LYS 48 30.088 8.094 -19.831 369 1HZ LYS 48 HZ1 LYS 48 32.099 9.391 -19.961 370 2HZ LYS 48 HZ2 LYS 48 30.840 10.400 -19.748 371 3HZ LYS 48 HZ3 LYS 48 31.853 10.069 -18.503 372 H TRP 49 H TRP 49 28.172 8.249 -12.671 373 HA TRP 49 HA TRP 49 30.095 6.156 -12.842 374 1HB TRP 49 HB2 TRP 49 29.752 5.856 -10.430 375 2HB TRP 49 HB3 TRP 49 30.134 7.487 -10.921 376 HD1 TRP 49 HD1 TRP 49 28.760 9.319 -9.903 377 HE1 TRP 49 HE1 TRP 49 26.667 9.508 -8.459 378 HE3 TRP 49 HE3 TRP 49 27.166 4.447 -10.136 379 HZ2 TRP 49 HZ2 TRP 49 24.559 7.748 -7.491 380 HZ3 TRP 49 HZ3 TRP 49 25.017 3.800 -9.131 381 HH2 TRP 49 HH2 TRP 49 23.675 5.462 -7.827 382 H ALA 50 H ALA 50 26.525 6.023 -12.830 383 HA ALA 50 HA ALA 50 26.482 3.160 -12.346 384 1HB ALA 50 HB1 ALA 50 24.289 5.015 -13.349 385 2HB ALA 50 HB2 ALA 50 24.125 3.313 -12.849 386 3HB ALA 50 HB3 ALA 50 24.577 4.540 -11.656 387 H GLU 51 H GLU 51 28.188 2.791 -13.964 388 HA GLU 51 HA GLU 51 27.590 2.942 -16.750 389 1HB GLU 51 HB2 GLU 51 29.472 1.188 -15.120 390 2HB GLU 51 HB3 GLU 51 29.420 1.114 -16.880 391 1HG GLU 51 HG2 GLU 51 29.974 3.707 -15.376 392 2HG GLU 51 HG3 GLU 51 31.227 2.558 -15.825 393 H TYR 52 H TYR 52 26.118 1.054 -14.332 394 HA TYR 52 HA TYR 52 24.730 -0.527 -16.361 395 1HB TYR 52 HB2 TYR 52 24.709 -2.438 -14.587 396 2HB TYR 52 HB3 TYR 52 25.996 -2.299 -15.769 397 HD1 TYR 52 HD1 TYR 52 28.179 -1.274 -15.139 398 HD2 TYR 52 HD2 TYR 52 25.239 -2.402 -12.223 399 HE1 TYR 52 HE1 TYR 52 29.950 -1.281 -13.380 400 HE2 TYR 52 HE2 TYR 52 26.973 -2.426 -10.449 401 HH TYR 52 HH TYR 52 30.419 -1.636 -11.121 402 H HIS 53 H HIS 53 22.567 -0.692 -15.865 403 HA HIS 53 HA HIS 53 21.337 1.221 -14.285 404 1HB HIS 53 HB2 HIS 53 20.016 -1.426 -14.939 405 2HB HIS 53 HB3 HIS 53 19.294 0.180 -14.899 406 HD1 HIS 53 HD1 HIS 53 21.340 -2.123 -17.211 407 HD2 HIS 53 HD2 HIS 53 19.667 1.747 -17.126 408 HE1 HIS 53 HE1 HIS 53 21.562 -1.179 -19.566 409 H ALA 54 H ALA 54 22.233 -2.119 -13.411 410 HA ALA 54 HA ALA 54 20.766 -2.279 -10.991 411 1HB ALA 54 HB1 ALA 54 22.301 -4.111 -10.422 412 2HB ALA 54 HB2 ALA 54 21.752 -4.243 -12.102 413 3HB ALA 54 HB3 ALA 54 23.389 -3.643 -11.741 414 H ASP 55 H ASP 55 23.722 -0.468 -11.723 415 HA ASP 55 HA ASP 55 24.737 -0.401 -9.043 416 1HB ASP 55 HB2 ASP 55 25.850 0.306 -11.339 417 2HB ASP 55 HB3 ASP 55 25.102 1.848 -11.043 418 H ILE 56 H ILE 56 22.473 1.688 -10.883 419 HA ILE 56 HA ILE 56 22.150 3.491 -8.613 420 HB ILE 56 HB ILE 56 19.985 4.064 -10.172 421 1HG1 ILE 56 HG12 ILE 56 22.034 2.958 -12.103 422 2HG1 ILE 56 HG13 ILE 56 20.282 2.717 -12.023 423 1HG2 ILE 56 HG21 ILE 56 22.736 5.257 -10.347 424 2HG2 ILE 56 HG22 ILE 56 21.192 6.057 -10.752 425 3HG2 ILE 56 HG23 ILE 56 21.490 5.561 -9.095 426 1HD1 ILE 56 HD11 ILE 56 21.807 5.210 -12.886 427 2HD1 ILE 56 HD12 ILE 56 20.889 4.094 -13.910 428 3HD1 ILE 56 HD13 ILE 56 20.031 5.115 -12.727 429 H TYR 57 H TYR 57 20.294 0.685 -9.968 430 HA TYR 57 HA TYR 57 18.125 1.088 -8.151 431 1HB TYR 57 HB2 TYR 57 17.945 -0.540 -9.964 432 2HB TYR 57 HB3 TYR 57 19.223 -1.527 -9.248 433 HD1 TYR 57 HD1 TYR 57 18.462 -3.420 -8.073 434 HD2 TYR 57 HD2 TYR 57 16.032 0.148 -8.048 435 HE1 TYR 57 HE1 TYR 57 16.807 -4.561 -6.635 436 HE2 TYR 57 HE2 TYR 57 14.387 -0.976 -6.586 437 HH TYR 57 HH TYR 57 14.779 -4.373 -5.494 438 H ASP 58 H ASP 58 21.277 -0.690 -7.728 439 HA ASP 58 HA ASP 58 20.928 -1.499 -5.049 440 1HB ASP 58 HB2 ASP 58 22.817 -2.334 -6.198 441 2HB ASP 58 HB3 ASP 58 23.339 -0.735 -6.711 442 H LYS 59 H LYS 59 22.284 1.588 -6.322 443 HA LYS 59 HA LYS 59 22.965 2.614 -3.762 444 1HB LYS 59 HB2 LYS 59 23.374 3.462 -6.377 445 2HB LYS 59 HB3 LYS 59 22.156 4.598 -5.875 446 1HG LYS 59 HG2 LYS 59 24.271 5.592 -5.479 447 2HG LYS 59 HG3 LYS 59 23.592 5.194 -3.909 448 1HD LYS 59 HD2 LYS 59 25.968 4.755 -4.048 449 2HD LYS 59 HD3 LYS 59 25.088 3.270 -3.695 450 1HE LYS 59 HE2 LYS 59 26.086 4.008 -6.482 451 2HE LYS 59 HE3 LYS 59 27.091 3.176 -5.298 452 1HZ LYS 59 HZ1 LYS 59 25.422 1.339 -5.282 453 2HZ LYS 59 HZ2 LYS 59 24.613 2.095 -6.493 454 3HZ LYS 59 HZ3 LYS 59 26.104 1.603 -6.767 455 H VAL 60 H VAL 60 20.077 3.118 -5.788 456 HA VAL 60 HA VAL 60 18.939 4.999 -3.936 457 HB VAL 60 HB VAL 60 17.821 3.655 -6.427 458 1HG1 VAL 60 HG11 VAL 60 16.028 4.552 -4.871 459 2HG1 VAL 60 HG12 VAL 60 16.849 6.108 -4.858 460 3HG1 VAL 60 HG13 VAL 60 16.157 5.481 -6.380 461 1HG2 VAL 60 HG21 VAL 60 18.965 6.442 -6.023 462 2HG2 VAL 60 HG22 VAL 60 19.828 5.118 -6.817 463 3HG2 VAL 60 HG23 VAL 60 18.339 5.712 -7.535 464 H SER 61 H SER 61 18.208 1.483 -4.712 465 HA SER 61 HA SER 61 16.006 1.445 -2.888 466 1HB SER 61 HB2 SER 61 16.185 -0.988 -2.938 467 2HB SER 61 HB3 SER 61 16.249 -0.294 -4.565 468 HG SER 61 HG SER 61 18.399 -0.641 -4.655 469 H GLY 62 H GLY 62 19.534 1.114 -2.375 470 1HA GLY 62 HA2 GLY 62 19.428 0.294 0.351 471 2HA GLY 62 HA3 GLY 62 20.737 1.204 -0.436 472 H ASP 63 H ASP 63 19.671 3.640 -1.095 473 HA ASP 63 HA ASP 63 19.537 4.942 1.417 474 1HB ASP 63 HB2 ASP 63 20.340 6.021 -0.661 475 2HB ASP 63 HB3 ASP 63 18.681 6.060 -1.275 476 H MET 64 H MET 64 16.917 4.229 -0.968 477 HA MET 64 HA MET 64 14.771 5.348 0.492 478 1HB MET 64 HB2 MET 64 14.870 2.898 -1.312 479 2HB MET 64 HB3 MET 64 13.400 3.647 -0.717 480 1HG MET 64 HG2 MET 64 15.392 4.992 -2.561 481 2HG MET 64 HG3 MET 64 13.822 4.344 -2.991 482 1HE MET 64 HE1 MET 64 15.644 6.999 -0.684 483 2HE MET 64 HE2 MET 64 15.753 7.367 -2.431 484 3HE MET 64 HE3 MET 64 14.841 8.435 -1.344 485 H GLN 65 H GLN 65 16.065 1.927 0.729 486 HA GLN 65 HA GLN 65 14.160 1.293 2.746 487 1HB GLN 65 HB2 GLN 65 16.761 0.052 1.792 488 2HB GLN 65 HB3 GLN 65 15.845 -0.662 3.114 489 1HG GLN 65 HG2 GLN 65 13.884 -0.983 1.704 490 2HG GLN 65 HG3 GLN 65 14.658 -0.138 0.359 491 1HE2 GLN 65 HE22 GLN 65 16.802 -1.069 -0.373 492 2HE2 GLN 65 HE21 GLN 65 16.938 -2.824 -0.456 493 H LYS 66 H LYS 66 17.426 2.756 2.947 494 HA LYS 66 HA LYS 66 17.722 2.539 5.789 495 1HB LYS 66 HB2 LYS 66 19.560 3.129 4.335 496 2HB LYS 66 HB3 LYS 66 18.684 4.509 3.704 497 1HG LYS 66 HG2 LYS 66 18.804 5.560 6.030 498 2HG LYS 66 HG3 LYS 66 19.845 4.202 6.492 499 1HD LYS 66 HD2 LYS 66 21.276 6.041 5.872 500 2HD LYS 66 HD3 LYS 66 21.371 4.831 4.574 501 1HE LYS 66 HE2 LYS 66 19.663 6.160 3.279 502 2HE LYS 66 HE3 LYS 66 19.664 7.376 4.553 503 1HZ LYS 66 HZ1 LYS 66 21.871 7.965 3.980 504 2HZ LYS 66 HZ2 LYS 66 22.102 6.637 3.046 505 3HZ LYS 66 HZ3 LYS 66 21.059 7.792 2.550 506 H GLN 67 H GLN 67 16.073 5.033 3.690 507 HA GLN 67 HA GLN 67 15.040 6.503 5.968 508 1HB GLN 67 HB2 GLN 67 13.961 6.301 3.118 509 2HB GLN 67 HB3 GLN 67 13.443 7.446 4.354 510 1HG GLN 67 HG2 GLN 67 15.808 8.334 4.453 511 2HG GLN 67 HG3 GLN 67 16.228 7.271 3.114 512 1HE2 GLN 67 HE22 GLN 67 16.419 8.511 1.212 513 2HE2 GLN 67 HE21 GLN 67 15.296 9.790 0.809 514 H GLY 68 H GLY 68 13.906 3.685 4.172 515 1HA GLY 68 HA2 GLY 68 12.968 2.025 5.891 516 2HA GLY 68 HA3 GLY 68 11.693 3.224 6.113 517 H CYS 69 H CYS 69 12.377 3.575 2.939 518 HA CYS 69 HA CYS 69 9.797 2.510 2.200 519 1HB CYS 69 HB2 CYS 69 12.031 4.013 0.801 520 2HB CYS 69 HB3 CYS 69 10.559 3.478 -0.034 521 HG CYS 69 HG CYS 69 8.890 4.800 1.175 522 H ASP 70 H ASP 70 9.405 0.515 1.422 523 HA ASP 70 HA ASP 70 11.506 -1.188 0.265 524 1HB ASP 70 HB2 ASP 70 9.667 -2.213 1.544 525 2HB ASP 70 HB3 ASP 70 8.478 -1.487 0.456 526 H CYS 71 H CYS 71 11.630 -1.631 -2.042 527 HA CYS 71 HA CYS 71 10.187 0.240 -3.825 528 1HB CYS 71 HB2 CYS 71 13.229 0.065 -3.552 529 2HB CYS 71 HB3 CYS 71 12.335 1.021 -4.745 530 HG CYS 71 HG CYS 71 12.285 1.293 -1.446 531 H GLU 72 H GLU 72 10.779 -0.123 -6.160 532 HA GLU 72 HA GLU 72 12.108 -2.663 -6.856 533 1HB GLU 72 HB2 GLU 72 9.218 -1.976 -7.600 534 2HB GLU 72 HB3 GLU 72 10.175 -3.169 -8.457 535 1HG GLU 72 HG2 GLU 72 9.304 -3.326 -5.548 536 2HG GLU 72 HG3 GLU 72 8.600 -4.185 -6.906 537 H CYS 73 H CYS 73 13.281 -2.292 -8.799 538 HA CYS 73 HA CYS 73 12.994 0.258 -10.210 539 1HB CYS 73 HB2 CYS 73 14.541 -0.983 -11.883 540 2HB CYS 73 HB3 CYS 73 15.216 -0.494 -10.340 541 HG CYS 73 HG CYS 73 16.025 -2.930 -11.213 542 H LEU 74 H LEU 74 11.256 0.583 -11.520 543 HA LEU 74 HA LEU 74 9.567 -1.643 -12.382 544 1HB LEU 74 HB2 LEU 74 9.524 1.308 -13.149 545 2HB LEU 74 HB3 LEU 74 8.311 0.110 -13.572 546 HG LEU 74 HG LEU 74 8.930 1.180 -10.797 547 1HD1 LEU 74 HD11 LEU 74 6.610 1.982 -10.900 548 2HD1 LEU 74 HD12 LEU 74 7.524 2.589 -12.287 549 3HD1 LEU 74 HD13 LEU 74 6.395 1.237 -12.496 550 1HD2 LEU 74 HD21 LEU 74 7.078 -1.119 -11.568 551 2HD2 LEU 74 HD22 LEU 74 8.458 -1.172 -10.442 552 3HD2 LEU 74 HD23 LEU 74 7.010 -0.266 -10.015 553 H GLY 75 H GLY 75 12.268 0.209 -13.669 554 1HA GLY 75 HA2 GLY 75 13.093 -1.670 -15.501 555 2HA GLY 75 HA3 GLY 75 12.056 -0.570 -16.422 556 H GLY 76 H GLY 76 14.300 -0.170 -17.457 557 1HA GLY 76 HA2 GLY 76 15.152 2.424 -16.490 558 2HA GLY 76 HA3 GLY 76 16.432 1.204 -16.372 559 H GLY 77 H GLY 77 17.377 2.826 -17.945 560 1HA GLY 77 HA2 GLY 77 17.431 1.918 -20.620 561 2HA GLY 77 HA3 GLY 77 16.336 3.313 -20.511 562 H ARG 78 H ARG 78 17.876 4.600 -21.737 563 HA ARG 78 HA ARG 78 20.207 5.496 -20.127 564 1HB ARG 78 HB2 ARG 78 20.813 3.922 -21.984 565 2HB ARG 78 HB3 ARG 78 20.188 5.112 -23.145 566 1HG ARG 78 HG2 ARG 78 21.901 6.755 -22.223 567 2HG ARG 78 HG3 ARG 78 22.505 5.452 -21.193 568 1HD ARG 78 HD2 ARG 78 22.591 5.657 -24.211 569 2HD ARG 78 HD3 ARG 78 23.941 5.674 -23.087 570 HE ARG 78 HE ARG 78 23.649 3.340 -22.639 571 1HH1 ARG 78 HH11 ARG 78 21.810 4.491 -25.462 572 2HH1 ARG 78 HH12 ARG 78 21.542 2.884 -26.087 573 1HH2 ARG 78 HH21 ARG 78 23.207 1.216 -23.483 574 2HH2 ARG 78 HH22 ARG 78 22.262 1.047 -24.935 575 H ILE 79 H ILE 79 20.845 7.652 -20.489 576 HA ILE 79 HA ILE 79 18.730 9.442 -21.533 577 HB ILE 79 HB ILE 79 20.233 9.454 -18.884 578 1HG1 ILE 79 HG12 ILE 79 17.312 9.687 -19.746 579 2HG1 ILE 79 HG13 ILE 79 18.061 8.315 -18.951 580 1HG2 ILE 79 HG21 ILE 79 19.401 11.783 -18.507 581 2HG2 ILE 79 HG22 ILE 79 20.520 11.731 -19.852 582 3HG2 ILE 79 HG23 ILE 79 18.767 11.803 -20.167 583 1HD1 ILE 79 HD11 ILE 79 18.429 9.807 -16.918 584 2HD1 ILE 79 HD12 ILE 79 17.420 11.029 -17.732 585 3HD1 ILE 79 HD13 ILE 79 16.733 9.458 -17.324 586 H SER 80 H SER 80 19.522 11.187 -22.663 587 HA SER 80 HA SER 80 22.375 11.756 -22.879 588 1HB SER 80 HB2 SER 80 20.783 10.658 -25.252 589 2HB SER 80 HB3 SER 80 22.438 11.282 -25.318 590 HG SER 80 HG SER 80 22.222 9.403 -23.400 591 H HIS 81 H HIS 81 22.651 13.727 -24.296 592 HA HIS 81 HA HIS 81 20.290 15.472 -24.317 593 1HB HIS 81 HB2 HIS 81 21.908 16.947 -25.689 594 2HB HIS 81 HB3 HIS 81 22.214 16.691 -23.982 595 HD1 HIS 81 HD1 HIS 81 24.749 16.628 -23.660 596 HD2 HIS 81 HD2 HIS 81 23.416 14.575 -27.098 597 HE1 HIS 81 HE1 HIS 81 26.799 15.503 -24.680 598 H GLN 82 H GLN 82 19.407 16.332 -26.333 599 HA GLN 82 HA GLN 82 18.778 14.434 -28.340 600 1HB GLN 82 HB2 GLN 82 18.423 17.387 -27.865 601 2HB GLN 82 HB3 GLN 82 18.191 16.837 -29.503 602 1HG GLN 82 HG2 GLN 82 16.763 15.557 -27.135 603 2HG GLN 82 HG3 GLN 82 16.124 16.944 -28.008 604 1HE2 GLN 82 HE22 GLN 82 14.539 14.698 -27.936 605 2HE2 GLN 82 HE21 GLN 82 14.520 13.953 -29.523 606 H SER 83 H SER 83 21.556 16.506 -28.026 607 HA SER 83 HA SER 83 23.492 16.679 -29.142 608 1HB SER 83 HB2 SER 83 22.490 14.781 -31.292 609 2HB SER 83 HB3 SER 83 24.149 15.305 -30.993 610 HG SER 83 HG SER 83 23.696 13.239 -30.102 611 H GLN 84 H GLN 84 20.662 16.645 -31.369 612 HA GLN 84 HA GLN 84 21.548 18.945 -32.883 613 1HB GLN 84 HB2 GLN 84 19.259 19.007 -33.728 614 2HB GLN 84 HB3 GLN 84 19.929 17.378 -33.806 615 1HG GLN 84 HG2 GLN 84 18.659 16.761 -31.759 616 2HG GLN 84 HG3 GLN 84 17.947 18.376 -31.700 617 1HE2 GLN 84 HE22 GLN 84 16.616 15.707 -31.964 618 2HE2 GLN 84 HE21 GLN 84 15.705 15.793 -33.457 619 H ASP 85 H ASP 85 20.339 18.542 -29.676 620 HA ASP 85 HA ASP 85 20.492 21.369 -29.144 621 1HB ASP 85 HB2 ASP 85 18.039 20.905 -29.843 622 2HB ASP 85 HB3 ASP 85 17.917 19.918 -28.390 623 H LYS 86 H LYS 86 20.385 21.587 -26.646 624 HA LYS 86 HA LYS 86 21.761 19.322 -25.362 625 1HB LYS 86 HB2 LYS 86 20.951 22.111 -24.430 626 2HB LYS 86 HB3 LYS 86 21.681 20.926 -23.356 627 1HG LYS 86 HG2 LYS 86 23.018 21.970 -25.893 628 2HG LYS 86 HG3 LYS 86 23.297 22.580 -24.258 629 1HD LYS 86 HD2 LYS 86 24.027 20.283 -23.556 630 2HD LYS 86 HD3 LYS 86 23.905 19.758 -25.249 631 1HE LYS 86 HE2 LYS 86 25.564 21.463 -25.914 632 2HE LYS 86 HE3 LYS 86 25.655 22.041 -24.243 633 1HZ LYS 86 HZ1 LYS 86 27.465 20.541 -24.725 634 2HZ LYS 86 HZ2 LYS 86 26.495 19.863 -23.590 635 3HZ LYS 86 HZ3 LYS 86 26.448 19.336 -25.147 636 H LYS 87 H LYS 87 18.499 20.417 -25.763 637 HA LYS 87 HA LYS 87 17.094 19.619 -23.571 638 1HB LYS 87 HB2 LYS 87 16.196 20.441 -25.755 639 2HB LYS 87 HB3 LYS 87 16.463 18.836 -26.459 640 1HG LYS 87 HG2 LYS 87 14.891 17.867 -24.759 641 2HG LYS 87 HG3 LYS 87 14.644 19.489 -24.108 642 1HD LYS 87 HD2 LYS 87 13.858 18.479 -26.871 643 2HD LYS 87 HD3 LYS 87 12.782 18.858 -25.518 644 1HE LYS 87 HE2 LYS 87 13.663 21.261 -25.638 645 2HE LYS 87 HE3 LYS 87 14.460 20.811 -27.152 646 1HZ LYS 87 HZ1 LYS 87 12.220 20.214 -28.002 647 2HZ LYS 87 HZ2 LYS 87 11.553 20.764 -26.593 648 3HZ LYS 87 HZ3 LYS 87 12.329 21.793 -27.598 649 H ILE 88 H ILE 88 16.649 17.738 -22.454 650 HA ILE 88 HA ILE 88 18.456 15.534 -22.983 651 HB ILE 88 HB ILE 88 16.277 15.888 -20.889 652 1HG1 ILE 88 HG12 ILE 88 17.937 17.661 -20.686 653 2HG1 ILE 88 HG13 ILE 88 18.037 16.548 -19.342 654 1HG2 ILE 88 HG21 ILE 88 17.644 14.228 -19.557 655 2HG2 ILE 88 HG22 ILE 88 16.832 13.529 -20.950 656 3HG2 ILE 88 HG23 ILE 88 18.567 13.891 -21.039 657 1HD1 ILE 88 HD11 ILE 88 19.955 16.590 -21.721 658 2HD1 ILE 88 HD12 ILE 88 20.256 17.262 -20.115 659 3HD1 ILE 88 HD13 ILE 88 20.071 15.515 -20.307 660 H HIS 89 H HIS 89 17.797 13.283 -23.207 661 HA HIS 89 HA HIS 89 15.108 12.765 -24.281 662 1HB HIS 89 HB2 HIS 89 16.794 13.208 -26.143 663 2HB HIS 89 HB3 HIS 89 17.674 11.782 -25.586 664 HD1 HIS 89 HD1 HIS 89 14.122 12.697 -26.839 665 HD2 HIS 89 HD2 HIS 89 16.876 9.518 -26.698 666 HE1 HIS 89 HE1 HIS 89 13.098 10.789 -28.211 667 H VAL 90 H VAL 90 14.480 10.561 -23.880 668 HA VAL 90 HA VAL 90 16.274 8.913 -22.166 669 HB VAL 90 HB VAL 90 13.275 9.220 -21.739 670 1HG1 VAL 90 HG11 VAL 90 13.756 8.209 -19.562 671 2HG1 VAL 90 HG12 VAL 90 14.400 7.183 -20.858 672 3HG1 VAL 90 HG13 VAL 90 15.496 8.199 -19.912 673 1HG2 VAL 90 HG21 VAL 90 14.102 11.436 -21.266 674 2HG2 VAL 90 HG22 VAL 90 13.777 10.624 -19.738 675 3HG2 VAL 90 HG23 VAL 90 15.452 10.799 -20.308 676 H TYR 91 H TYR 91 16.411 6.797 -22.964 677 HA TYR 91 HA TYR 91 14.335 5.711 -24.714 678 1HB TYR 91 HB2 TYR 91 15.511 5.769 -26.726 679 2HB TYR 91 HB3 TYR 91 15.638 7.391 -26.120 680 HD1 TYR 91 HD1 TYR 91 17.949 7.627 -24.452 681 HD2 TYR 91 HD2 TYR 91 17.380 5.033 -27.857 682 HE1 TYR 91 HE1 TYR 91 20.391 7.490 -24.750 683 HE2 TYR 91 HE2 TYR 91 19.826 4.916 -28.180 684 HH TYR 91 HH TYR 91 21.910 5.703 -27.470 685 H GLY 92 H GLY 92 15.391 3.625 -25.844 686 1HA GLY 92 HA2 GLY 92 16.585 1.650 -25.663 687 2HA GLY 92 HA3 GLY 92 17.590 2.384 -24.410 688 H TYR 93 H TYR 93 17.435 0.270 -23.360 689 HA TYR 93 HA TYR 93 15.162 0.047 -21.537 690 1HB TYR 93 HB2 TYR 93 14.841 -2.333 -22.051 691 2HB TYR 93 HB3 TYR 93 14.433 -1.334 -23.433 692 HD1 TYR 93 HD1 TYR 93 16.570 -4.015 -22.175 693 HD2 TYR 93 HD2 TYR 93 15.960 -1.265 -25.445 694 HE1 TYR 93 HE1 TYR 93 18.072 -5.374 -23.585 695 HE2 TYR 93 HE2 TYR 93 17.452 -2.625 -26.868 696 HH TYR 93 HH TYR 93 19.068 -5.612 -25.684 697 H SER 94 H SER 94 15.761 -1.177 -19.631 698 HA SER 94 HA SER 94 18.621 -1.402 -19.129 699 1HB SER 94 HB2 SER 94 17.121 -0.814 -17.291 700 2HB SER 94 HB3 SER 94 16.183 -2.297 -17.544 701 HG SER 94 HG SER 94 18.782 -1.984 -16.520 702 H MET 95 H MET 95 19.846 -3.213 -19.562 703 HA MET 95 HA MET 95 18.730 -5.588 -20.738 704 1HB MET 95 HB2 MET 95 21.079 -4.770 -21.035 705 2HB MET 95 HB3 MET 95 21.415 -5.188 -19.347 706 1HG MET 95 HG2 MET 95 20.952 -7.564 -19.838 707 2HG MET 95 HG3 MET 95 20.476 -7.142 -21.484 708 1HE MET 95 HE1 MET 95 23.384 -7.652 -18.935 709 2HE MET 95 HE2 MET 95 24.820 -7.136 -19.844 710 3HE MET 95 HE3 MET 95 23.643 -5.928 -19.294 711 H ALA 96 H ALA 96 19.199 -4.493 -17.401 712 HA ALA 96 HA ALA 96 18.981 -7.195 -16.270 713 1HB ALA 96 HB1 ALA 96 20.540 -5.542 -15.295 714 2HB ALA 96 HB2 ALA 96 19.175 -4.450 -14.949 715 3HB ALA 96 HB3 ALA 96 19.290 -6.019 -14.132 716 H TYR 97 H TYR 97 16.990 -4.224 -16.541 717 HA TYR 97 HA TYR 97 14.757 -5.639 -15.153 718 1HB TYR 97 HB2 TYR 97 15.358 -2.672 -15.198 719 2HB TYR 97 HB3 TYR 97 14.198 -3.512 -14.175 720 HD1 TYR 97 HD1 TYR 97 17.090 -1.791 -13.888 721 HD2 TYR 97 HD2 TYR 97 15.595 -5.740 -12.984 722 HE1 TYR 97 HE1 TYR 97 18.791 -2.031 -12.108 723 HE2 TYR 97 HE2 TYR 97 17.322 -6.007 -11.245 724 HH TYR 97 HH TYR 97 19.115 -5.040 -10.149 725 H GLY 98 H GLY 98 15.492 -4.683 -18.265 726 1HA GLY 98 HA2 GLY 98 14.128 -4.568 -20.104 727 2HA GLY 98 HA3 GLY 98 12.698 -4.693 -19.073 728 HA PRO 99 HA PRO 99 13.240 -0.258 -20.541 729 1HB PRO 99 HB2 PRO 99 10.892 0.005 -21.946 730 2HB PRO 99 HB3 PRO 99 12.410 -0.580 -22.677 731 1HG PRO 99 HG2 PRO 99 10.071 -2.208 -21.660 732 2HG PRO 99 HG3 PRO 99 11.001 -2.425 -23.176 733 1HD PRO 99 HD2 PRO 99 11.455 -3.908 -20.908 734 2HD PRO 99 HD3 PRO 99 12.766 -3.483 -22.046 735 H ALA 100 H ALA 100 12.486 1.318 -19.230 736 HA ALA 100 HA ALA 100 10.416 0.812 -17.221 737 1HB ALA 100 HB1 ALA 100 11.764 3.382 -18.115 738 2HB ALA 100 HB2 ALA 100 10.915 3.127 -16.581 739 3HB ALA 100 HB3 ALA 100 12.443 2.311 -16.872 740 H GLN 101 H GLN 101 8.640 2.690 -17.115 741 HA GLN 101 HA GLN 101 6.995 2.674 -19.460 742 1HB GLN 101 HB2 GLN 101 7.073 4.593 -17.090 743 2HB GLN 101 HB3 GLN 101 5.814 4.592 -18.320 744 1HG GLN 101 HG2 GLN 101 6.402 2.339 -16.362 745 2HG GLN 101 HG3 GLN 101 5.056 3.480 -16.314 746 1HE2 GLN 101 HE22 GLN 101 3.445 3.402 -18.149 747 2HE2 GLN 101 HE21 GLN 101 3.179 1.877 -18.951 748 H HIS 102 H HIS 102 9.557 4.818 -18.375 749 HA HIS 102 HA HIS 102 10.591 6.613 -19.069 750 1HB HIS 102 HB2 HIS 102 9.747 5.690 -21.805 751 2HB HIS 102 HB3 HIS 102 10.938 6.957 -21.498 752 HD1 HIS 102 HD1 HIS 102 10.904 3.366 -22.181 753 HD2 HIS 102 HD2 HIS 102 12.917 5.934 -19.533 754 HE1 HIS 102 HE1 HIS 102 12.996 2.124 -21.417 755 H ALA 103 H ALA 103 7.266 6.586 -20.393 756 HA ALA 103 HA ALA 103 6.934 9.346 -20.755 757 1HB ALA 103 HB1 ALA 103 4.980 7.265 -19.667 758 2HB ALA 103 HB2 ALA 103 4.541 8.886 -20.261 759 3HB ALA 103 HB3 ALA 103 5.245 7.706 -21.377 760 H ILE 104 H ILE 104 6.689 7.404 -17.755 761 HA ILE 104 HA ILE 104 6.041 9.402 -15.872 762 HB ILE 104 HB ILE 104 7.928 7.033 -15.631 763 1HG1 ILE 104 HG12 ILE 104 5.656 6.335 -16.340 764 2HG1 ILE 104 HG13 ILE 104 6.188 5.670 -14.804 765 1HG2 ILE 104 HG21 ILE 104 6.619 8.658 -13.418 766 2HG2 ILE 104 HG22 ILE 104 7.377 7.069 -13.174 767 3HG2 ILE 104 HG23 ILE 104 8.352 8.431 -13.723 768 1HD1 ILE 104 HD11 ILE 104 4.274 8.024 -15.088 769 2HD1 ILE 104 HD12 ILE 104 3.807 6.333 -14.806 770 3HD1 ILE 104 HD13 ILE 104 4.738 7.198 -13.575 771 H SER 105 H SER 105 9.268 8.284 -17.053 772 HA SER 105 HA SER 105 10.827 9.899 -15.464 773 1HB SER 105 HB2 SER 105 11.488 8.943 -18.277 774 2HB SER 105 HB3 SER 105 12.597 9.264 -16.954 775 HG SER 105 HG SER 105 12.156 7.018 -16.987 776 H THR 106 H THR 106 9.762 10.540 -18.861 777 HA THR 106 HA THR 106 10.788 13.154 -19.024 778 HB THR 106 HB THR 106 8.624 13.437 -20.584 779 HG1 THR 106 HG1 THR 106 7.748 11.369 -19.825 780 1HG2 THR 106 HG21 THR 106 11.044 11.682 -21.143 781 2HG2 THR 106 HG22 THR 106 9.897 12.243 -22.385 782 3HG2 THR 106 HG23 THR 106 10.839 13.418 -21.476 783 H GLU 107 H GLU 107 7.523 12.166 -17.728 784 HA GLU 107 HA GLU 107 6.682 14.858 -17.378 785 1HB GLU 107 HB2 GLU 107 5.793 12.234 -16.119 786 2HB GLU 107 HB3 GLU 107 5.049 13.787 -15.715 787 1HG GLU 107 HG2 GLU 107 4.509 14.174 -18.102 788 2HG GLU 107 HG3 GLU 107 5.192 12.608 -18.523 789 H LYS 108 H LYS 108 8.293 12.577 -15.089 790 HA LYS 108 HA LYS 108 8.215 14.456 -12.901 791 1HB LYS 108 HB2 LYS 108 10.018 12.039 -13.405 792 2HB LYS 108 HB3 LYS 108 9.963 12.964 -11.908 793 1HG LYS 108 HG2 LYS 108 7.742 11.232 -13.022 794 2HG LYS 108 HG3 LYS 108 8.708 10.995 -11.570 795 1HD LYS 108 HD2 LYS 108 7.678 13.380 -10.893 796 2HD LYS 108 HD3 LYS 108 6.472 12.962 -12.107 797 1HE LYS 108 HE2 LYS 108 5.637 12.314 -9.970 798 2HE LYS 108 HE3 LYS 108 6.013 10.823 -10.844 799 1HZ LYS 108 HZ1 LYS 108 6.795 11.084 -8.418 800 2HZ LYS 108 HZ2 LYS 108 7.899 10.488 -9.467 801 3HZ LYS 108 HZ3 LYS 108 7.990 12.040 -8.997 802 H ILE 109 H ILE 109 10.715 13.776 -15.407 803 HA ILE 109 HA ILE 109 12.628 15.617 -14.350 804 HB ILE 109 HB ILE 109 12.099 14.468 -17.097 805 1HG1 ILE 109 HG12 ILE 109 14.495 14.084 -15.248 806 2HG1 ILE 109 HG13 ILE 109 13.064 13.062 -15.167 807 1HG2 ILE 109 HG21 ILE 109 14.262 15.412 -17.877 808 2HG2 ILE 109 HG22 ILE 109 13.148 16.710 -17.464 809 3HG2 ILE 109 HG23 ILE 109 14.442 16.265 -16.345 810 1HD1 ILE 109 HD11 ILE 109 14.723 11.923 -16.476 811 2HD1 ILE 109 HD12 ILE 109 13.426 12.424 -17.578 812 3HD1 ILE 109 HD13 ILE 109 14.964 13.317 -17.532 813 H LYS 110 H LYS 110 9.910 16.140 -16.747 814 HA LYS 110 HA LYS 110 10.472 18.931 -17.008 815 1HB LYS 110 HB2 LYS 110 7.886 17.365 -17.416 816 2HB LYS 110 HB3 LYS 110 8.051 19.097 -17.756 817 1HG LYS 110 HG2 LYS 110 9.903 18.644 -19.327 818 2HG LYS 110 HG3 LYS 110 9.722 16.910 -19.023 819 1HD LYS 110 HD2 LYS 110 7.455 16.933 -19.951 820 2HD LYS 110 HD3 LYS 110 7.580 18.687 -20.243 821 1HE LYS 110 HE2 LYS 110 9.530 18.312 -21.731 822 2HE LYS 110 HE3 LYS 110 9.470 16.582 -21.410 823 1HZ LYS 110 HZ1 LYS 110 7.358 18.125 -22.809 824 2HZ LYS 110 HZ2 LYS 110 8.423 17.094 -23.498 825 3HZ LYS 110 HZ3 LYS 110 7.281 16.526 -22.484 826 H ALA 111 H ALA 111 8.531 17.188 -14.528 827 HA ALA 111 HA ALA 111 7.474 19.548 -13.338 828 1HB ALA 111 HB1 ALA 111 7.082 18.152 -11.370 829 2HB ALA 111 HB2 ALA 111 6.651 17.262 -12.842 830 3HB ALA 111 HB3 ALA 111 8.171 16.901 -11.989 831 H LYS 112 H LYS 112 10.593 17.825 -12.802 832 HA LYS 112 HA LYS 112 11.283 19.683 -10.639 833 1HB LYS 112 HB2 LYS 112 12.655 17.234 -11.783 834 2HB LYS 112 HB3 LYS 112 13.353 18.207 -10.494 835 1HG LYS 112 HG2 LYS 112 10.670 16.768 -10.394 836 2HG LYS 112 HG3 LYS 112 12.153 16.248 -9.602 837 1HD LYS 112 HD2 LYS 112 10.463 18.675 -8.903 838 2HD LYS 112 HD3 LYS 112 10.664 17.196 -7.973 839 1HE LYS 112 HE2 LYS 112 13.082 17.706 -7.655 840 2HE LYS 112 HE3 LYS 112 12.886 19.203 -8.575 841 1HZ LYS 112 HZ1 LYS 112 11.522 18.599 -6.014 842 2HZ LYS 112 HZ2 LYS 112 12.783 19.610 -6.203 843 3HZ LYS 112 HZ3 LYS 112 11.345 19.980 -6.870 844 H TYR 113 H TYR 113 11.959 19.532 -14.026 845 HA TYR 113 HA TYR 113 13.339 20.584 -15.401 846 1HB TYR 113 HB2 TYR 113 13.011 22.870 -13.437 847 2HB TYR 113 HB3 TYR 113 13.701 23.015 -15.044 848 HD1 TYR 113 HD1 TYR 113 12.274 22.228 -17.069 849 HD2 TYR 113 HD2 TYR 113 10.669 23.238 -13.191 850 HE1 TYR 113 HE1 TYR 113 10.085 22.706 -18.111 851 HE2 TYR 113 HE2 TYR 113 8.471 23.726 -14.223 852 HH TYR 113 HH TYR 113 7.883 23.398 -17.758 853 HA PRO 114 HA PRO 114 17.382 20.030 -13.110 854 1HB PRO 114 HB2 PRO 114 18.200 17.654 -14.156 855 2HB PRO 114 HB3 PRO 114 17.160 17.743 -12.698 856 1HG PRO 114 HG2 PRO 114 16.324 17.281 -15.566 857 2HG PRO 114 HG3 PRO 114 15.821 16.361 -14.110 858 1HD PRO 114 HD2 PRO 114 14.308 18.377 -15.213 859 2HD PRO 114 HD3 PRO 114 14.325 18.042 -13.454 860 H ASP 115 H ASP 115 15.923 19.878 -16.264 861 HA ASP 115 HA ASP 115 17.931 21.599 -17.428 862 1HB ASP 115 HB2 ASP 115 18.668 19.306 -18.178 863 2HB ASP 115 HB3 ASP 115 17.056 19.049 -18.858 864 H TYR 116 H TYR 116 16.834 22.539 -19.496 865 HA TYR 116 HA TYR 116 14.430 23.659 -18.670 866 1HB TYR 116 HB2 TYR 116 15.551 23.524 -21.495 867 2HB TYR 116 HB3 TYR 116 14.380 24.691 -20.897 868 HD1 TYR 116 HD1 TYR 116 15.080 26.284 -18.992 869 HD2 TYR 116 HD2 TYR 116 17.904 23.936 -21.263 870 HE1 TYR 116 HE1 TYR 116 16.911 27.784 -18.261 871 HE2 TYR 116 HE2 TYR 116 19.737 25.425 -20.538 872 HH TYR 116 HH TYR 116 20.326 27.302 -19.286 873 H GLU 117 H GLU 117 14.883 20.845 -20.883 874 HA GLU 117 HA GLU 117 12.144 20.074 -20.509 875 1HB GLU 117 HB2 GLU 117 12.019 21.876 -22.328 876 2HB GLU 117 HB3 GLU 117 12.921 20.787 -23.373 877 1HG GLU 117 HG2 GLU 117 11.085 19.172 -23.318 878 2HG GLU 117 HG3 GLU 117 10.272 20.109 -22.049 879 H VAL 118 H VAL 118 11.778 18.011 -22.011 880 HA VAL 118 HA VAL 118 14.180 16.523 -22.590 881 HB VAL 118 HB VAL 118 14.047 16.273 -20.182 882 1HG1 VAL 118 HG11 VAL 118 11.155 15.497 -20.618 883 2HG1 VAL 118 HG12 VAL 118 12.047 15.076 -19.162 884 3HG1 VAL 118 HG13 VAL 118 11.853 16.775 -19.592 885 1HG2 VAL 118 HG21 VAL 118 14.686 14.241 -21.537 886 2HG2 VAL 118 HG22 VAL 118 14.091 13.917 -19.905 887 3HG2 VAL 118 HG23 VAL 118 13.044 13.640 -21.301 888 H THR 119 H THR 119 13.540 14.392 -23.561 889 HA THR 119 HA THR 119 10.754 14.179 -24.537 890 HB THR 119 HB THR 119 11.824 13.629 -26.816 891 HG1 THR 119 HG1 THR 119 13.995 15.001 -25.576 892 1HG2 THR 119 HG21 THR 119 10.525 15.653 -26.463 893 2HG2 THR 119 HG22 THR 119 11.954 16.514 -25.853 894 3HG2 THR 119 HG23 THR 119 11.897 15.958 -27.543 895 H TRP 120 H TRP 120 10.605 11.891 -25.723 896 HA TRP 120 HA TRP 120 12.625 10.031 -24.789 897 1HB TRP 120 HB2 TRP 120 11.230 8.492 -23.646 898 2HB TRP 120 HB3 TRP 120 10.982 10.040 -22.885 899 HD1 TRP 120 HD1 TRP 120 8.580 11.301 -23.997 900 HE1 TRP 120 HE1 TRP 120 6.266 10.224 -24.017 901 HE3 TRP 120 HE3 TRP 120 9.999 6.393 -24.063 902 HZ2 TRP 120 HZ2 TRP 120 5.155 7.548 -24.101 903 HZ3 TRP 120 HZ3 TRP 120 8.292 4.601 -24.048 904 HH2 TRP 120 HH2 TRP 120 5.873 5.159 -24.079 905 H ALA 121 H ALA 121 12.195 7.799 -25.625 906 HA ALA 121 HA ALA 121 10.299 7.615 -27.838 907 1HB ALA 121 HB1 ALA 121 12.022 6.581 -29.337 908 2HB ALA 121 HB2 ALA 121 12.398 8.281 -28.995 909 3HB ALA 121 HB3 ALA 121 13.286 6.985 -28.157 910 H ASN 122 H ASN 122 9.589 5.477 -28.075 911 HA ASN 122 HA ASN 122 9.991 3.839 -25.679 912 1HB ASN 122 HB2 ASN 122 7.728 4.499 -26.577 913 2HB ASN 122 HB3 ASN 122 8.047 3.497 -27.994 914 1HD2 ASN 122 HD22 ASN 122 6.351 1.971 -27.577 915 2HD2 ASN 122 HD21 ASN 122 6.377 0.900 -26.201 916 H ASP 123 H ASP 123 12.261 3.863 -27.462 917 HA ASP 123 HA ASP 123 12.619 1.046 -27.989 918 1HB ASP 123 HB2 ASP 123 11.446 2.108 -30.110 919 2HB ASP 123 HB3 ASP 123 13.022 2.877 -30.358 920 H GLY 124 H GLY 124 14.896 0.925 -29.144 921 1HA GLY 124 HA2 GLY 124 16.942 2.444 -29.488 922 2HA GLY 124 HA3 GLY 124 16.799 2.769 -27.757 923 H TYR 125 H TYR 125 19.126 1.834 -28.261 924 HA TYR 125 HA TYR 125 19.213 -0.834 -27.097 925 1HB TYR 125 HB2 TYR 125 20.720 -0.084 -29.647 926 2HB TYR 125 HB3 TYR 125 21.077 -1.476 -28.642 927 HD1 TYR 125 HD1 TYR 125 18.913 -0.160 -31.273 928 HD2 TYR 125 HD2 TYR 125 19.421 -3.359 -28.422 929 HE1 TYR 125 HE1 TYR 125 17.278 -1.533 -32.531 930 HE2 TYR 125 HE2 TYR 125 17.788 -4.740 -29.666 931 HH TYR 125 HH TYR 125 16.355 -4.855 -31.502 Start of MODEL 15 1 1H MET 1 H1 MET 1 10.303 12.604 16.807 2 2H MET 1 H2 MET 1 10.622 14.129 17.326 3 3H MET 1 H3 MET 1 9.105 13.713 16.866 4 HA MET 1 HA MET 1 10.118 15.027 15.164 5 1HB MET 1 HB2 MET 1 12.467 14.410 15.711 6 2HB MET 1 HB3 MET 1 12.200 12.797 15.049 7 1HG MET 1 HG2 MET 1 13.358 14.263 13.456 8 2HG MET 1 HG3 MET 1 11.816 13.712 12.830 9 1HE MET 1 HE1 MET 1 13.994 16.706 14.011 10 2HE MET 1 HE2 MET 1 12.842 18.055 14.106 11 3HE MET 1 HE3 MET 1 12.778 16.751 15.309 12 H ALA 2 H ALA 2 8.843 14.820 13.377 13 HA ALA 2 HA ALA 2 7.264 12.478 12.933 14 1HB ALA 2 HB1 ALA 2 6.517 14.755 12.326 15 2HB ALA 2 HB2 ALA 2 7.817 14.867 11.113 16 3HB ALA 2 HB3 ALA 2 6.509 13.684 10.913 17 H VAL 3 H VAL 3 7.337 10.956 11.213 18 HA VAL 3 HA VAL 3 9.931 10.172 10.254 19 HB VAL 3 HB VAL 3 8.645 8.449 9.073 20 1HG1 VAL 3 HG11 VAL 3 7.831 7.256 10.999 21 2HG1 VAL 3 HG12 VAL 3 9.228 8.221 11.513 22 3HG1 VAL 3 HG13 VAL 3 7.588 8.754 11.916 23 1HG2 VAL 3 HG21 VAL 3 6.095 9.713 10.180 24 2HG2 VAL 3 HG22 VAL 3 6.587 9.732 8.475 25 3HG2 VAL 3 HG23 VAL 3 6.238 8.198 9.271 26 H ALA 4 H ALA 4 10.452 9.926 7.912 27 HA ALA 4 HA ALA 4 9.832 12.285 6.328 28 1HB ALA 4 HB1 ALA 4 12.017 11.108 6.151 29 2HB ALA 4 HB2 ALA 4 11.185 9.679 5.498 30 3HB ALA 4 HB3 ALA 4 11.176 11.201 4.596 31 H ASP 5 H ASP 5 9.062 11.708 3.897 32 HA ASP 5 HA ASP 5 6.751 9.872 3.904 33 1HB ASP 5 HB2 ASP 5 5.854 11.955 4.878 34 2HB ASP 5 HB3 ASP 5 6.546 12.896 3.555 35 H LEU 6 H LEU 6 5.947 9.566 1.715 36 HA LEU 6 HA LEU 6 7.916 9.274 -0.241 37 1HB LEU 6 HB2 LEU 6 4.883 9.486 -0.440 38 2HB LEU 6 HB3 LEU 6 5.920 9.075 -1.781 39 HG LEU 6 HG LEU 6 5.536 7.410 0.714 40 1HD1 LEU 6 HD11 LEU 6 4.533 5.814 -0.911 41 2HD1 LEU 6 HD12 LEU 6 3.655 7.351 -0.858 42 3HD1 LEU 6 HD13 LEU 6 4.740 6.998 -2.208 43 1HD2 LEU 6 HD21 LEU 6 7.392 6.980 -1.661 44 2HD2 LEU 6 HD22 LEU 6 7.809 7.032 0.070 45 3HD2 LEU 6 HD23 LEU 6 6.884 5.682 -0.570 46 H ALA 7 H ALA 7 5.857 12.137 0.351 47 HA ALA 7 HA ALA 7 6.458 13.369 -2.163 48 1HB ALA 7 HB1 ALA 7 4.448 13.923 -0.830 49 2HB ALA 7 HB2 ALA 7 5.488 14.596 0.451 50 3HB ALA 7 HB3 ALA 7 5.436 15.361 -1.150 51 H LEU 8 H LEU 8 8.198 13.075 0.858 52 HA LEU 8 HA LEU 8 9.865 15.472 0.401 53 1HB LEU 8 HB2 LEU 8 9.924 13.378 2.612 54 2HB LEU 8 HB3 LEU 8 10.908 14.831 2.553 55 HG LEU 8 HG LEU 8 7.865 14.792 2.760 56 1HD1 LEU 8 HD11 LEU 8 9.996 15.433 4.842 57 2HD1 LEU 8 HD12 LEU 8 8.237 15.580 5.063 58 3HD1 LEU 8 HD13 LEU 8 8.960 13.989 4.805 59 1HD2 LEU 8 HD21 LEU 8 9.827 17.126 2.859 60 2HD2 LEU 8 HD22 LEU 8 8.586 16.833 1.618 61 3HD2 LEU 8 HD23 LEU 8 8.100 17.219 3.267 62 H ILE 9 H ILE 9 9.919 12.039 -0.258 63 HA ILE 9 HA ILE 9 12.710 11.605 -0.476 64 HB ILE 9 HB ILE 9 10.406 10.456 -2.117 65 1HG1 ILE 9 HG12 ILE 9 11.897 9.401 0.343 66 2HG1 ILE 9 HG13 ILE 9 10.248 10.032 0.340 67 1HG2 ILE 9 HG21 ILE 9 12.609 10.163 -3.262 68 2HG2 ILE 9 HG22 ILE 9 13.242 9.409 -1.782 69 3HG2 ILE 9 HG23 ILE 9 11.942 8.637 -2.710 70 1HD1 ILE 9 HD11 ILE 9 10.063 7.680 0.395 71 2HD1 ILE 9 HD12 ILE 9 9.625 8.169 -1.262 72 3HD1 ILE 9 HD13 ILE 9 11.220 7.459 -0.919 73 HA PRO 10 HA PRO 10 13.565 14.534 -3.858 74 1HB PRO 10 HB2 PRO 10 15.853 12.668 -4.442 75 2HB PRO 10 HB3 PRO 10 15.847 14.444 -4.288 76 1HG PRO 10 HG2 PRO 10 16.769 12.860 -2.267 77 2HG PRO 10 HG3 PRO 10 15.806 14.333 -1.925 78 1HD PRO 10 HD2 PRO 10 14.883 11.455 -1.942 79 2HD PRO 10 HD3 PRO 10 14.494 12.774 -0.795 80 H ASP 11 H ASP 11 12.118 14.363 -5.446 81 HA ASP 11 HA ASP 11 11.141 11.905 -6.412 82 1HB ASP 11 HB2 ASP 11 9.989 14.178 -6.163 83 2HB ASP 11 HB3 ASP 11 10.740 14.622 -7.699 84 H VAL 12 H VAL 12 13.460 14.193 -7.777 85 HA VAL 12 HA VAL 12 14.233 12.291 -9.889 86 HB VAL 12 HB VAL 12 13.709 15.265 -10.372 87 1HG1 VAL 12 HG11 VAL 12 14.110 14.702 -12.755 88 2HG1 VAL 12 HG12 VAL 12 15.537 14.388 -11.767 89 3HG1 VAL 12 HG13 VAL 12 14.515 13.035 -12.298 90 1HG2 VAL 12 HG21 VAL 12 12.074 12.902 -11.360 91 2HG2 VAL 12 HG22 VAL 12 11.532 14.177 -10.251 92 3HG2 VAL 12 HG23 VAL 12 11.916 14.586 -11.919 93 H ASP 13 H ASP 13 16.465 12.234 -9.961 94 HA ASP 13 HA ASP 13 18.018 14.628 -9.429 95 1HB ASP 13 HB2 ASP 13 17.906 13.845 -7.120 96 2HB ASP 13 HB3 ASP 13 18.373 12.217 -7.607 97 H ILE 14 H ILE 14 19.066 14.570 -11.350 98 HA ILE 14 HA ILE 14 20.285 12.033 -12.245 99 HB ILE 14 HB ILE 14 19.536 12.469 -14.545 100 1HG1 ILE 14 HG12 ILE 14 17.534 14.471 -13.396 101 2HG1 ILE 14 HG13 ILE 14 18.992 14.919 -14.290 102 1HG2 ILE 14 HG21 ILE 14 18.394 10.855 -13.012 103 2HG2 ILE 14 HG22 ILE 14 17.176 12.092 -12.653 104 3HG2 ILE 14 HG23 ILE 14 17.358 11.453 -14.303 105 1HD1 ILE 14 HD11 ILE 14 17.102 14.985 -15.786 106 2HD1 ILE 14 HD12 ILE 14 18.154 13.638 -16.265 107 3HD1 ILE 14 HD13 ILE 14 16.641 13.328 -15.379 108 H ASP 15 H ASP 15 22.016 12.239 -13.566 109 HA ASP 15 HA ASP 15 23.778 14.489 -13.163 110 1HB ASP 15 HB2 ASP 15 24.322 12.088 -13.231 111 2HB ASP 15 HB3 ASP 15 23.909 12.031 -14.948 112 H SER 16 H SER 16 24.970 15.333 -15.181 113 HA SER 16 HA SER 16 23.263 15.904 -17.529 114 1HB SER 16 HB2 SER 16 24.583 18.093 -15.866 115 2HB SER 16 HB3 SER 16 23.597 18.312 -17.318 116 HG SER 16 HG SER 16 22.446 18.728 -15.378 117 H ASP 17 H ASP 17 26.288 14.973 -16.288 118 HA ASP 17 HA ASP 17 28.090 16.627 -17.654 119 1HB ASP 17 HB2 ASP 17 28.669 15.190 -15.761 120 2HB ASP 17 HB3 ASP 17 28.379 13.745 -16.738 121 H GLY 18 H GLY 18 26.313 13.837 -18.936 122 1HA GLY 18 HA2 GLY 18 27.033 14.206 -21.647 123 2HA GLY 18 HA3 GLY 18 28.129 13.012 -20.928 124 H VAL 19 H VAL 19 27.181 11.333 -22.245 125 HA VAL 19 HA VAL 19 24.412 10.513 -21.915 126 HB VAL 19 HB VAL 19 26.890 9.023 -22.899 127 1HG1 VAL 19 HG11 VAL 19 23.946 8.285 -23.178 128 2HG1 VAL 19 HG12 VAL 19 25.292 7.474 -24.003 129 3HG1 VAL 19 HG13 VAL 19 25.172 7.400 -22.244 130 1HG2 VAL 19 HG21 VAL 19 24.681 10.432 -24.461 131 2HG2 VAL 19 HG22 VAL 19 26.375 10.953 -24.349 132 3HG2 VAL 19 HG23 VAL 19 25.973 9.446 -25.170 133 H PHE 20 H PHE 20 23.621 8.971 -20.408 134 HA PHE 20 HA PHE 20 25.426 7.388 -18.785 135 1HB PHE 20 HB2 PHE 20 24.513 8.148 -16.618 136 2HB PHE 20 HB3 PHE 20 25.520 9.349 -17.398 137 HD1 PHE 20 HD1 PHE 20 22.053 8.521 -16.369 138 HD2 PHE 20 HD2 PHE 20 24.619 11.465 -18.162 139 HE1 PHE 20 HE1 PHE 20 20.282 10.227 -16.088 140 HE2 PHE 20 HE2 PHE 20 22.813 13.156 -17.969 141 HZ PHE 20 HZ PHE 20 20.644 12.543 -16.918 142 H LYS 21 H LYS 21 24.033 5.971 -17.233 143 HA LYS 21 HA LYS 21 21.538 5.215 -18.681 144 1HB LYS 21 HB2 LYS 21 23.290 3.607 -16.763 145 2HB LYS 21 HB3 LYS 21 21.705 3.122 -17.330 146 1HG LYS 21 HG2 LYS 21 23.137 1.920 -18.660 147 2HG LYS 21 HG3 LYS 21 22.567 3.216 -19.710 148 1HD LYS 21 HD2 LYS 21 24.701 4.417 -19.425 149 2HD LYS 21 HD3 LYS 21 25.250 3.234 -18.236 150 1HE LYS 21 HE2 LYS 21 24.669 2.691 -21.188 151 2HE LYS 21 HE3 LYS 21 26.266 2.931 -20.480 152 1HZ LYS 21 HZ1 LYS 21 24.450 0.668 -19.903 153 2HZ LYS 21 HZ2 LYS 21 25.867 0.608 -20.707 154 3HZ LYS 21 HZ3 LYS 21 25.857 0.937 -19.103 155 H TYR 22 H TYR 22 19.666 4.710 -17.397 156 HA TYR 22 HA TYR 22 19.595 5.950 -14.716 157 1HB TYR 22 HB2 TYR 22 18.369 7.695 -15.340 158 2HB TYR 22 HB3 TYR 22 18.730 7.314 -17.002 159 HD1 TYR 22 HD1 TYR 22 17.150 5.536 -18.131 160 HD2 TYR 22 HD2 TYR 22 16.144 7.748 -14.577 161 HE1 TYR 22 HE1 TYR 22 14.786 4.888 -18.405 162 HE2 TYR 22 HE2 TYR 22 13.750 7.186 -14.898 163 HH TYR 22 HH TYR 22 12.189 6.141 -16.259 164 H VAL 23 H VAL 23 17.410 5.472 -13.683 165 HA VAL 23 HA VAL 23 16.124 3.009 -14.588 166 HB VAL 23 HB VAL 23 18.108 2.374 -13.164 167 1HG1 VAL 23 HG11 VAL 23 18.071 4.244 -11.555 168 2HG1 VAL 23 HG12 VAL 23 16.547 3.666 -10.891 169 3HG1 VAL 23 HG13 VAL 23 18.004 2.670 -10.733 170 1HG2 VAL 23 HG21 VAL 23 16.956 0.723 -11.807 171 2HG2 VAL 23 HG22 VAL 23 15.409 1.564 -12.036 172 3HG2 VAL 23 HG23 VAL 23 16.253 0.834 -13.421 173 H LEU 24 H LEU 24 14.053 2.735 -13.562 174 HA LEU 24 HA LEU 24 12.925 5.190 -12.287 175 1HB LEU 24 HB2 LEU 24 12.152 4.751 -14.641 176 2HB LEU 24 HB3 LEU 24 11.624 3.151 -14.156 177 HG LEU 24 HG LEU 24 9.976 4.261 -12.551 178 1HD1 LEU 24 HD11 LEU 24 11.070 6.467 -12.316 179 2HD1 LEU 24 HD12 LEU 24 10.839 6.774 -14.055 180 3HD1 LEU 24 HD13 LEU 24 9.445 6.644 -12.970 181 1HD2 LEU 24 HD21 LEU 24 9.317 3.429 -14.784 182 2HD2 LEU 24 HD22 LEU 24 8.394 4.854 -14.298 183 3HD2 LEU 24 HD23 LEU 24 9.703 5.021 -15.488 184 H ILE 25 H ILE 25 12.527 4.660 -10.122 185 HA ILE 25 HA ILE 25 11.873 1.809 -9.591 186 HB ILE 25 HB ILE 25 13.413 1.471 -8.172 187 1HG1 ILE 25 HG12 ILE 25 13.350 4.209 -6.895 188 2HG1 ILE 25 HG13 ILE 25 12.311 2.868 -6.413 189 1HG2 ILE 25 HG21 ILE 25 15.554 2.594 -8.343 190 2HG2 ILE 25 HG22 ILE 25 14.782 2.551 -9.924 191 3HG2 ILE 25 HG23 ILE 25 14.780 4.061 -8.961 192 1HD1 ILE 25 HD11 ILE 25 14.305 1.487 -5.930 193 2HD1 ILE 25 HD12 ILE 25 15.328 2.926 -6.189 194 3HD1 ILE 25 HD13 ILE 25 14.126 2.920 -4.894 195 H ARG 26 H ARG 26 10.218 1.336 -8.407 196 HA ARG 26 HA ARG 26 8.355 3.440 -7.515 197 1HB ARG 26 HB2 ARG 26 7.543 1.423 -8.674 198 2HB ARG 26 HB3 ARG 26 8.285 0.376 -7.472 199 1HG ARG 26 HG2 ARG 26 6.761 0.955 -5.789 200 2HG ARG 26 HG3 ARG 26 6.297 2.476 -6.559 201 1HD ARG 26 HD2 ARG 26 5.630 -0.255 -7.732 202 2HD ARG 26 HD3 ARG 26 4.542 0.662 -6.667 203 HE ARG 26 HE ARG 26 5.271 2.480 -8.603 204 1HH1 ARG 26 HH21 ARG 26 3.584 -0.651 -8.696 205 2HH1 ARG 26 HH22 ARG 26 2.714 -0.286 -10.140 206 1HH2 ARG 26 HH11 ARG 26 4.184 2.962 -10.497 207 2HH2 ARG 26 HH12 ARG 26 3.042 1.844 -11.184 208 H VAL 27 H VAL 27 8.022 3.829 -5.307 209 HA VAL 27 HA VAL 27 9.521 2.235 -3.315 210 HB VAL 27 HB VAL 27 10.938 4.099 -3.760 211 1HG1 VAL 27 HG11 VAL 27 10.256 6.472 -3.484 212 2HG1 VAL 27 HG12 VAL 27 9.577 5.686 -4.908 213 3HG1 VAL 27 HG13 VAL 27 8.557 5.941 -3.471 214 1HG2 VAL 27 HG21 VAL 27 10.565 3.480 -1.408 215 2HG2 VAL 27 HG22 VAL 27 11.083 5.155 -1.603 216 3HG2 VAL 27 HG23 VAL 27 9.380 4.795 -1.243 217 H HIS 28 H HIS 28 8.376 1.969 -1.411 218 HA HIS 28 HA HIS 28 5.479 2.687 -1.513 219 1HB HIS 28 HB2 HIS 28 6.907 0.514 0.055 220 2HB HIS 28 HB3 HIS 28 5.171 0.706 -0.164 221 HD1 HIS 28 HD1 HIS 28 4.568 0.596 -3.095 222 HD2 HIS 28 HD2 HIS 28 7.889 -1.367 -1.418 223 HE1 HIS 28 HE1 HIS 28 5.237 -1.224 -4.744 224 H SER 29 H SER 29 4.437 3.528 0.381 225 HA SER 29 HA SER 29 5.954 5.175 2.108 226 1HB SER 29 HB2 SER 29 3.205 4.042 2.655 227 2HB SER 29 HB3 SER 29 3.883 5.528 3.310 228 HG SER 29 HG SER 29 3.568 6.498 1.400 229 H ALA 30 H ALA 30 7.584 4.089 3.253 230 HA ALA 30 HA ALA 30 6.614 2.943 5.729 231 1HB ALA 30 HB1 ALA 30 8.540 1.291 4.043 232 2HB ALA 30 HB2 ALA 30 7.972 0.906 5.673 233 3HB ALA 30 HB3 ALA 30 6.835 0.911 4.326 234 HA PRO 31 HA PRO 31 10.958 5.183 5.885 235 1HB PRO 31 HB2 PRO 31 9.239 7.552 6.618 236 2HB PRO 31 HB3 PRO 31 10.927 7.512 6.005 237 1HG PRO 31 HG2 PRO 31 8.896 8.036 4.285 238 2HG PRO 31 HG3 PRO 31 10.188 6.900 3.804 239 1HD PRO 31 HD2 PRO 31 7.435 6.269 4.909 240 2HD PRO 31 HD3 PRO 31 8.298 5.553 3.520 241 H ARG 32 H ARG 32 11.866 5.050 7.839 242 HA ARG 32 HA ARG 32 12.146 4.146 9.878 243 1HB ARG 32 HB2 ARG 32 10.148 6.283 10.641 244 2HB ARG 32 HB3 ARG 32 11.358 5.588 11.710 245 1HG ARG 32 HG2 ARG 32 12.038 7.250 9.229 246 2HG ARG 32 HG3 ARG 32 11.853 7.885 10.851 247 1HD ARG 32 HD2 ARG 32 14.173 7.645 10.462 248 2HD ARG 32 HD3 ARG 32 13.703 6.457 11.662 249 HE ARG 32 HE ARG 32 14.205 5.882 8.747 250 1HH1 ARG 32 HH21 ARG 32 14.270 4.722 12.108 251 2HH1 ARG 32 HH22 ARG 32 15.203 3.318 11.751 252 1HH2 ARG 32 HH11 ARG 32 15.673 4.142 8.332 253 2HH2 ARG 32 HH12 ARG 32 15.923 2.936 9.541 254 H SER 33 H SER 33 9.932 2.828 8.357 255 HA SER 33 HA SER 33 8.268 1.379 8.600 256 1HB SER 33 HB2 SER 33 9.531 0.747 11.292 257 2HB SER 33 HB3 SER 33 8.541 -0.328 10.291 258 HG SER 33 HG SER 33 10.786 -0.720 10.045 259 H GLY 34 H GLY 34 7.638 4.101 9.432 260 1HA GLY 34 HA2 GLY 34 5.338 3.580 11.261 261 2HA GLY 34 HA3 GLY 34 6.527 4.837 11.639 262 H ALA 35 H ALA 35 5.658 4.179 8.287 263 HA ALA 35 HA ALA 35 4.802 6.857 7.780 264 1HB ALA 35 HB1 ALA 35 4.199 5.980 5.561 265 2HB ALA 35 HB2 ALA 35 5.781 5.361 6.066 266 3HB ALA 35 HB3 ALA 35 4.343 4.313 6.153 267 HA PRO 36 HA PRO 36 0.558 6.492 9.053 268 1HB PRO 36 HB2 PRO 36 -0.664 8.529 7.715 269 2HB PRO 36 HB3 PRO 36 0.590 8.814 8.958 270 1HG PRO 36 HG2 PRO 36 0.960 8.695 5.943 271 2HG PRO 36 HG3 PRO 36 1.513 9.975 7.073 272 1HD PRO 36 HD2 PRO 36 3.161 7.964 6.265 273 2HD PRO 36 HD3 PRO 36 3.229 8.604 7.934 274 H ALA 37 H ALA 37 1.442 5.572 5.889 275 HA ALA 37 HA ALA 37 -1.146 4.348 5.272 276 1HB ALA 37 HB1 ALA 37 0.135 6.461 3.467 277 2HB ALA 37 HB2 ALA 37 -1.348 5.537 3.125 278 3HB ALA 37 HB3 ALA 37 -1.325 6.713 4.448 279 H ALA 38 H ALA 38 -0.742 3.499 2.796 280 HA ALA 38 HA ALA 38 2.000 2.461 2.419 281 1HB ALA 38 HB1 ALA 38 1.183 0.229 1.944 282 2HB ALA 38 HB2 ALA 38 0.815 0.676 3.620 283 3HB ALA 38 HB3 ALA 38 -0.475 0.702 2.391 284 H GLU 39 H GLU 39 1.363 4.590 1.142 285 HA GLU 39 HA GLU 39 0.051 4.001 -1.427 286 1HB GLU 39 HB2 GLU 39 1.403 6.515 -0.337 287 2HB GLU 39 HB3 GLU 39 0.668 6.370 -1.938 288 1HG GLU 39 HG2 GLU 39 -1.520 5.812 -0.849 289 2HG GLU 39 HG3 GLU 39 -0.786 6.118 0.727 290 H SER 40 H SER 40 1.654 5.069 -3.307 291 HA SER 40 HA SER 40 4.438 4.432 -2.896 292 1HB SER 40 HB2 SER 40 2.954 2.915 -5.073 293 2HB SER 40 HB3 SER 40 4.663 2.777 -4.644 294 HG SER 40 HG SER 40 3.172 2.380 -2.461 295 H LYS 41 H LYS 41 5.728 5.077 -4.765 296 HA LYS 41 HA LYS 41 4.556 6.578 -6.933 297 1HB LYS 41 HB2 LYS 41 5.662 8.744 -6.422 298 2HB LYS 41 HB3 LYS 41 4.376 8.330 -5.315 299 1HG LYS 41 HG2 LYS 41 5.898 9.175 -3.887 300 2HG LYS 41 HG3 LYS 41 6.242 7.456 -3.728 301 1HD LYS 41 HD2 LYS 41 8.294 8.624 -3.674 302 2HD LYS 41 HD3 LYS 41 8.223 7.731 -5.187 303 1HE LYS 41 HE2 LYS 41 9.208 9.937 -5.477 304 2HE LYS 41 HE3 LYS 41 7.750 9.756 -6.444 305 1HZ LYS 41 HZ1 LYS 41 7.902 11.868 -5.416 306 2HZ LYS 41 HZ2 LYS 41 6.594 11.111 -4.794 307 3HZ LYS 41 HZ3 LYS 41 7.955 11.239 -3.872 308 H GLU 42 H GLU 42 6.410 7.522 -8.302 309 HA GLU 42 HA GLU 42 8.634 5.539 -8.269 310 1HB GLU 42 HB2 GLU 42 7.141 6.995 -10.477 311 2HB GLU 42 HB3 GLU 42 8.804 6.481 -10.715 312 1HG GLU 42 HG2 GLU 42 7.447 4.809 -11.645 313 2HG GLU 42 HG3 GLU 42 8.199 4.143 -10.200 314 H ILE 43 H ILE 43 10.754 6.306 -8.676 315 HA ILE 43 HA ILE 43 11.156 9.236 -8.770 316 HB ILE 43 HB ILE 43 13.159 8.988 -7.343 317 1HG1 ILE 43 HG12 ILE 43 12.091 6.208 -6.675 318 2HG1 ILE 43 HG13 ILE 43 13.527 6.528 -7.654 319 1HG2 ILE 43 HG21 ILE 43 11.951 9.081 -5.267 320 2HG2 ILE 43 HG22 ILE 43 10.898 9.715 -6.533 321 3HG2 ILE 43 HG23 ILE 43 10.638 8.066 -5.916 322 1HD1 ILE 43 HD11 ILE 43 14.146 5.927 -5.382 323 2HD1 ILE 43 HD12 ILE 43 14.623 7.603 -5.715 324 3HD1 ILE 43 HD13 ILE 43 13.193 7.251 -4.712 325 H VAL 44 H VAL 44 13.063 9.877 -9.808 326 HA VAL 44 HA VAL 44 13.896 7.991 -11.978 327 HB VAL 44 HB VAL 44 13.300 10.983 -11.900 328 1HG1 VAL 44 HG11 VAL 44 15.141 10.594 -13.488 329 2HG1 VAL 44 HG12 VAL 44 14.177 9.352 -14.314 330 3HG1 VAL 44 HG13 VAL 44 13.651 11.043 -14.320 331 1HG2 VAL 44 HG21 VAL 44 11.871 8.811 -13.477 332 2HG2 VAL 44 HG22 VAL 44 11.270 9.506 -11.956 333 3HG2 VAL 44 HG23 VAL 44 11.450 10.533 -13.375 334 H ARG 45 H ARG 45 16.051 7.466 -11.756 335 HA ARG 45 HA ARG 45 17.939 9.574 -10.834 336 1HB ARG 45 HB2 ARG 45 17.908 6.699 -9.817 337 2HB ARG 45 HB3 ARG 45 19.128 7.904 -9.430 338 1HG ARG 45 HG2 ARG 45 16.201 7.963 -8.578 339 2HG ARG 45 HG3 ARG 45 17.588 7.554 -7.573 340 1HD ARG 45 HD2 ARG 45 18.461 9.813 -7.703 341 2HD ARG 45 HD3 ARG 45 17.190 10.295 -8.808 342 HE ARG 45 HE ARG 45 15.644 10.382 -7.103 343 1HH1 ARG 45 HH11 ARG 45 18.706 9.127 -5.840 344 2HH1 ARG 45 HH12 ARG 45 18.194 9.105 -4.194 345 1HH2 ARG 45 HH21 ARG 45 14.961 10.428 -4.928 346 2HH2 ARG 45 HH22 ARG 45 15.993 9.830 -3.666 347 H GLY 46 H GLY 46 20.035 9.362 -11.769 348 1HA GLY 46 HA2 GLY 46 20.980 7.096 -13.136 349 2HA GLY 46 HA3 GLY 46 20.204 8.150 -14.328 350 H TYR 47 H TYR 47 23.124 7.412 -13.657 351 HA TYR 47 HA TYR 47 24.242 10.094 -13.846 352 1HB TYR 47 HB2 TYR 47 25.209 8.331 -11.585 353 2HB TYR 47 HB3 TYR 47 25.557 10.025 -11.851 354 HD1 TYR 47 HD1 TYR 47 23.038 7.572 -10.708 355 HD2 TYR 47 HD2 TYR 47 24.114 11.741 -10.836 356 HE1 TYR 47 HE1 TYR 47 21.369 8.044 -8.940 357 HE2 TYR 47 HE2 TYR 47 22.449 12.229 -9.072 358 HH TYR 47 HH TYR 47 20.908 11.339 -7.582 359 H LYS 48 H LYS 48 26.491 10.043 -14.525 360 HA LYS 48 HA LYS 48 27.081 7.873 -16.211 361 1HB LYS 48 HB2 LYS 48 27.932 10.246 -16.341 362 2HB LYS 48 HB3 LYS 48 29.087 9.850 -15.056 363 1HG LYS 48 HG2 LYS 48 30.106 8.117 -16.531 364 2HG LYS 48 HG3 LYS 48 28.868 8.429 -17.755 365 1HD LYS 48 HD2 LYS 48 30.874 9.535 -18.443 366 2HD LYS 48 HD3 LYS 48 29.714 10.781 -17.962 367 1HE LYS 48 HE2 LYS 48 30.852 10.944 -15.736 368 2HE LYS 48 HE3 LYS 48 32.005 9.703 -16.247 369 1HZ LYS 48 HZ1 LYS 48 32.914 11.907 -16.543 370 2HZ LYS 48 HZ2 LYS 48 32.718 11.233 -18.015 371 3HZ LYS 48 HZ3 LYS 48 31.660 12.378 -17.483 372 H TRP 49 H TRP 49 27.984 8.285 -12.771 373 HA TRP 49 HA TRP 49 29.959 6.230 -12.785 374 1HB TRP 49 HB2 TRP 49 29.570 6.153 -10.312 375 2HB TRP 49 HB3 TRP 49 30.076 7.675 -10.999 376 HD1 TRP 49 HD1 TRP 49 28.841 9.733 -10.262 377 HE1 TRP 49 HE1 TRP 49 26.756 10.272 -8.903 378 HE3 TRP 49 HE3 TRP 49 26.874 5.009 -9.873 379 HZ2 TRP 49 HZ2 TRP 49 24.482 8.847 -7.809 380 HZ3 TRP 49 HZ3 TRP 49 24.691 4.662 -8.801 381 HH2 TRP 49 HH2 TRP 49 23.447 6.573 -7.792 382 H ALA 50 H ALA 50 26.407 5.977 -12.792 383 HA ALA 50 HA ALA 50 26.577 3.102 -12.156 384 1HB ALA 50 HB1 ALA 50 24.170 3.108 -12.524 385 2HB ALA 50 HB2 ALA 50 24.670 4.218 -11.246 386 3HB ALA 50 HB3 ALA 50 24.205 4.862 -12.848 387 H GLU 51 H GLU 51 28.080 2.688 -13.883 388 HA GLU 51 HA GLU 51 27.434 3.037 -16.638 389 1HB GLU 51 HB2 GLU 51 29.159 0.940 -15.243 390 2HB GLU 51 HB3 GLU 51 29.106 1.203 -16.991 391 1HG GLU 51 HG2 GLU 51 29.846 3.566 -16.632 392 2HG GLU 51 HG3 GLU 51 30.001 3.232 -14.903 393 H TYR 52 H TYR 52 25.937 1.013 -14.290 394 HA TYR 52 HA TYR 52 24.413 -0.384 -16.366 395 1HB TYR 52 HB2 TYR 52 24.469 -2.413 -14.712 396 2HB TYR 52 HB3 TYR 52 25.676 -2.206 -15.966 397 HD1 TYR 52 HD1 TYR 52 25.144 -2.522 -12.389 398 HD2 TYR 52 HD2 TYR 52 27.913 -1.244 -15.415 399 HE1 TYR 52 HE1 TYR 52 26.986 -2.686 -10.740 400 HE2 TYR 52 HE2 TYR 52 29.790 -1.391 -13.775 401 HH TYR 52 HH TYR 52 29.271 -2.415 -10.363 402 H HIS 53 H HIS 53 22.288 -0.680 -15.765 403 HA HIS 53 HA HIS 53 21.152 1.199 -14.041 404 1HB HIS 53 HB2 HIS 53 19.741 -1.342 -14.920 405 2HB HIS 53 HB3 HIS 53 19.042 0.248 -14.631 406 HD1 HIS 53 HD1 HIS 53 19.216 2.003 -16.722 407 HD2 HIS 53 HD2 HIS 53 21.093 -1.744 -17.236 408 HE1 HIS 53 HE1 HIS 53 19.923 1.841 -19.180 409 H ALA 54 H ALA 54 22.042 -2.185 -13.386 410 HA ALA 54 HA ALA 54 20.599 -2.491 -10.959 411 1HB ALA 54 HB1 ALA 54 22.186 -4.314 -10.489 412 2HB ALA 54 HB2 ALA 54 21.627 -4.383 -12.172 413 3HB ALA 54 HB3 ALA 54 23.248 -3.754 -11.793 414 H ASP 55 H ASP 55 23.593 -0.681 -11.655 415 HA ASP 55 HA ASP 55 24.565 -0.663 -8.953 416 1HB ASP 55 HB2 ASP 55 25.865 0.017 -11.079 417 2HB ASP 55 HB3 ASP 55 24.992 1.525 -11.018 418 H ILE 56 H ILE 56 22.542 1.633 -10.843 419 HA ILE 56 HA ILE 56 22.125 3.385 -8.589 420 HB ILE 56 HB ILE 56 19.989 3.961 -10.166 421 1HG1 ILE 56 HG12 ILE 56 21.998 2.770 -12.093 422 2HG1 ILE 56 HG13 ILE 56 20.251 2.528 -11.963 423 1HG2 ILE 56 HG21 ILE 56 22.758 5.106 -10.444 424 2HG2 ILE 56 HG22 ILE 56 21.211 5.907 -10.827 425 3HG2 ILE 56 HG23 ILE 56 21.568 5.463 -9.167 426 1HD1 ILE 56 HD11 ILE 56 20.744 3.819 -13.914 427 2HD1 ILE 56 HD12 ILE 56 19.979 4.910 -12.735 428 3HD1 ILE 56 HD13 ILE 56 21.744 4.957 -13.003 429 H TYR 57 H TYR 57 20.228 0.597 -9.962 430 HA TYR 57 HA TYR 57 18.013 1.027 -8.249 431 1HB TYR 57 HB2 TYR 57 17.861 -0.605 -10.036 432 2HB TYR 57 HB3 TYR 57 19.157 -1.569 -9.329 433 HD1 TYR 57 HD1 TYR 57 18.409 -3.553 -8.323 434 HD2 TYR 57 HD2 TYR 57 15.946 -0.019 -8.026 435 HE1 TYR 57 HE1 TYR 57 16.818 -4.782 -6.885 436 HE2 TYR 57 HE2 TYR 57 14.385 -1.217 -6.556 437 HH TYR 57 HH TYR 57 13.928 -3.240 -5.411 438 H ASP 58 H ASP 58 21.048 -0.864 -7.633 439 HA ASP 58 HA ASP 58 20.319 -1.644 -5.004 440 1HB ASP 58 HB2 ASP 58 22.103 -2.750 -6.234 441 2HB ASP 58 HB3 ASP 58 23.054 -1.262 -6.272 442 H LYS 59 H LYS 59 22.331 1.144 -6.141 443 HA LYS 59 HA LYS 59 22.947 2.168 -3.569 444 1HB LYS 59 HB2 LYS 59 24.174 2.849 -5.475 445 2HB LYS 59 HB3 LYS 59 22.745 3.452 -6.314 446 1HG LYS 59 HG2 LYS 59 22.679 5.433 -5.184 447 2HG LYS 59 HG3 LYS 59 23.318 4.748 -3.673 448 1HD LYS 59 HD2 LYS 59 25.558 4.658 -4.515 449 2HD LYS 59 HD3 LYS 59 25.036 5.101 -6.146 450 1HE LYS 59 HE2 LYS 59 24.224 7.308 -5.244 451 2HE LYS 59 HE3 LYS 59 24.866 6.862 -3.657 452 1HZ LYS 59 HZ1 LYS 59 26.420 8.237 -4.887 453 2HZ LYS 59 HZ2 LYS 59 27.077 6.763 -4.663 454 3HZ LYS 59 HZ3 LYS 59 26.471 7.178 -6.129 455 H VAL 60 H VAL 60 20.263 3.087 -5.802 456 HA VAL 60 HA VAL 60 19.249 5.073 -4.015 457 HB VAL 60 HB VAL 60 17.955 3.700 -6.388 458 1HG1 VAL 60 HG11 VAL 60 16.284 4.734 -4.816 459 2HG1 VAL 60 HG12 VAL 60 17.185 6.243 -4.860 460 3HG1 VAL 60 HG13 VAL 60 16.402 5.633 -6.344 461 1HG2 VAL 60 HG21 VAL 60 18.646 5.612 -7.647 462 2HG2 VAL 60 HG22 VAL 60 19.247 6.459 -6.189 463 3HG2 VAL 60 HG23 VAL 60 20.091 5.049 -6.831 464 H SER 61 H SER 61 18.268 1.595 -4.610 465 HA SER 61 HA SER 61 16.173 1.704 -2.681 466 1HB SER 61 HB2 SER 61 17.834 -0.711 -3.488 467 2HB SER 61 HB3 SER 61 16.237 -0.715 -2.705 468 HG SER 61 HG SER 61 16.993 0.001 -5.299 469 H GLY 62 H GLY 62 19.708 1.310 -2.286 470 1HA GLY 62 HA2 GLY 62 19.720 0.503 0.444 471 2HA GLY 62 HA3 GLY 62 20.980 1.424 -0.405 472 H ASP 63 H ASP 63 19.780 3.810 -1.076 473 HA ASP 63 HA ASP 63 19.684 5.195 1.408 474 1HB ASP 63 HB2 ASP 63 20.338 6.249 -0.755 475 2HB ASP 63 HB3 ASP 63 18.646 6.200 -1.265 476 H MET 64 H MET 64 17.013 4.304 -0.896 477 HA MET 64 HA MET 64 14.913 5.333 0.676 478 1HB MET 64 HB2 MET 64 14.927 2.823 -1.058 479 2HB MET 64 HB3 MET 64 13.496 3.671 -0.484 480 1HG MET 64 HG2 MET 64 15.506 4.807 -2.441 481 2HG MET 64 HG3 MET 64 13.906 4.205 -2.798 482 1HE MET 64 HE1 MET 64 15.101 8.344 -1.412 483 2HE MET 64 HE2 MET 64 15.843 6.925 -0.660 484 3HE MET 64 HE3 MET 64 15.984 7.174 -2.421 485 H GLN 65 H GLN 65 16.441 2.042 0.958 486 HA GLN 65 HA GLN 65 14.670 1.226 3.044 487 1HB GLN 65 HB2 GLN 65 17.366 0.320 2.002 488 2HB GLN 65 HB3 GLN 65 16.679 -0.436 3.441 489 1HG GLN 65 HG2 GLN 65 14.741 -1.211 2.249 490 2HG GLN 65 HG3 GLN 65 15.176 -0.294 0.799 491 1HE2 GLN 65 HE21 GLN 65 17.406 -0.847 -0.113 492 2HE2 GLN 65 HE22 GLN 65 17.858 -2.550 -0.160 493 H LYS 66 H LYS 66 17.819 2.977 3.106 494 HA LYS 66 HA LYS 66 18.149 2.938 5.948 495 1HB LYS 66 HB2 LYS 66 19.928 3.579 4.444 496 2HB LYS 66 HB3 LYS 66 18.955 4.863 3.758 497 1HG LYS 66 HG2 LYS 66 19.019 6.034 6.025 498 2HG LYS 66 HG3 LYS 66 20.153 4.774 6.545 499 1HD LYS 66 HD2 LYS 66 21.451 6.673 5.817 500 2HD LYS 66 HD3 LYS 66 21.622 5.404 4.586 501 1HE LYS 66 HE2 LYS 66 19.821 6.542 3.235 502 2HE LYS 66 HE3 LYS 66 19.746 7.823 4.442 503 1HZ LYS 66 HZ1 LYS 66 21.904 8.528 3.817 504 2HZ LYS 66 HZ2 LYS 66 22.219 7.167 2.956 505 3HZ LYS 66 HZ3 LYS 66 21.097 8.218 2.406 506 H GLN 67 H GLN 67 16.285 5.180 3.757 507 HA GLN 67 HA GLN 67 15.247 6.747 5.923 508 1HB GLN 67 HB2 GLN 67 13.949 6.176 3.223 509 2HB GLN 67 HB3 GLN 67 13.454 7.403 4.390 510 1HG GLN 67 HG2 GLN 67 15.776 8.424 4.196 511 2HG GLN 67 HG3 GLN 67 16.111 7.271 2.909 512 1HE2 GLN 67 HE22 GLN 67 16.305 8.616 1.097 513 2HE2 GLN 67 HE21 GLN 67 15.029 9.718 0.611 514 H GLY 68 H GLY 68 14.081 3.775 4.392 515 1HA GLY 68 HA2 GLY 68 13.522 2.172 6.363 516 2HA GLY 68 HA3 GLY 68 12.152 3.255 6.606 517 H CYS 69 H CYS 69 12.657 3.268 3.324 518 HA CYS 69 HA CYS 69 10.104 2.026 2.879 519 1HB CYS 69 HB2 CYS 69 12.222 3.311 1.135 520 2HB CYS 69 HB3 CYS 69 10.687 2.707 0.501 521 HG CYS 69 HG CYS 69 9.126 4.229 1.520 522 H ASP 70 H ASP 70 9.927 0.771 0.720 523 HA ASP 70 HA ASP 70 12.004 -1.267 0.265 524 1HB ASP 70 HB2 ASP 70 10.321 -2.435 1.610 525 2HB ASP 70 HB3 ASP 70 9.020 -1.796 0.600 526 H CYS 71 H CYS 71 12.063 -1.755 -2.048 527 HA CYS 71 HA CYS 71 10.483 0.061 -3.769 528 1HB CYS 71 HB2 CYS 71 13.539 -0.006 -3.724 529 2HB CYS 71 HB3 CYS 71 12.500 1.037 -4.700 530 HG CYS 71 HG CYS 71 12.797 0.937 -1.429 531 H GLU 72 H GLU 72 10.973 -0.258 -6.133 532 HA GLU 72 HA GLU 72 12.301 -2.769 -6.906 533 1HB GLU 72 HB2 GLU 72 10.064 -3.535 -6.340 534 2HB GLU 72 HB3 GLU 72 9.317 -2.213 -7.252 535 1HG GLU 72 HG2 GLU 72 10.112 -3.095 -9.342 536 2HG GLU 72 HG3 GLU 72 11.136 -4.283 -8.526 537 H CYS 73 H CYS 73 13.376 -2.345 -8.826 538 HA CYS 73 HA CYS 73 12.981 0.112 -10.317 539 1HB CYS 73 HB2 CYS 73 14.485 -1.183 -11.985 540 2HB CYS 73 HB3 CYS 73 15.190 -0.674 -10.453 541 HG CYS 73 HG CYS 73 15.952 -3.138 -11.305 542 H LEU 74 H LEU 74 11.247 0.422 -11.603 543 HA LEU 74 HA LEU 74 9.540 -1.786 -12.488 544 1HB LEU 74 HB2 LEU 74 9.576 1.174 -13.230 545 2HB LEU 74 HB3 LEU 74 8.342 0.012 -13.700 546 HG LEU 74 HG LEU 74 8.941 0.987 -10.879 547 1HD1 LEU 74 HD11 LEU 74 6.474 1.257 -12.652 548 2HD1 LEU 74 HD12 LEU 74 6.684 1.920 -11.019 549 3HD1 LEU 74 HD13 LEU 74 7.680 2.525 -12.357 550 1HD2 LEU 74 HD21 LEU 74 6.925 -0.360 -10.200 551 2HD2 LEU 74 HD22 LEU 74 6.961 -1.150 -11.789 552 3HD2 LEU 74 HD23 LEU 74 8.311 -1.351 -10.645 553 H GLY 75 H GLY 75 12.263 0.066 -13.737 554 1HA GLY 75 HA2 GLY 75 13.088 -1.712 -15.684 555 2HA GLY 75 HA3 GLY 75 12.004 -0.578 -16.508 556 H GLY 76 H GLY 76 14.187 -0.057 -17.581 557 1HA GLY 76 HA2 GLY 76 15.017 2.497 -16.534 558 2HA GLY 76 HA3 GLY 76 16.321 1.299 -16.462 559 H GLY 77 H GLY 77 17.187 3.023 -17.998 560 1HA GLY 77 HA2 GLY 77 17.176 2.161 -20.722 561 2HA GLY 77 HA3 GLY 77 16.165 3.604 -20.520 562 H ARG 78 H ARG 78 17.930 4.571 -21.923 563 HA ARG 78 HA ARG 78 20.261 5.438 -20.274 564 1HB ARG 78 HB2 ARG 78 20.860 3.774 -22.025 565 2HB ARG 78 HB3 ARG 78 20.216 4.868 -23.264 566 1HG ARG 78 HG2 ARG 78 21.958 6.540 -22.692 567 2HG ARG 78 HG3 ARG 78 22.506 5.515 -21.351 568 1HD ARG 78 HD2 ARG 78 24.014 5.272 -23.221 569 2HD ARG 78 HD3 ARG 78 23.175 3.758 -22.920 570 HE ARG 78 HE ARG 78 22.549 5.716 -25.104 571 1HH1 ARG 78 HH11 ARG 78 22.627 2.301 -24.027 572 2HH1 ARG 78 HH12 ARG 78 22.088 1.692 -25.567 573 1HH2 ARG 78 HH21 ARG 78 21.813 4.864 -27.076 574 2HH2 ARG 78 HH22 ARG 78 21.709 3.135 -27.314 575 H ILE 79 H ILE 79 20.999 7.589 -20.746 576 HA ILE 79 HA ILE 79 18.937 9.345 -21.914 577 HB ILE 79 HB ILE 79 20.330 9.574 -19.214 578 1HG1 ILE 79 HG12 ILE 79 17.443 9.343 -20.143 579 2HG1 ILE 79 HG13 ILE 79 18.341 8.182 -19.178 580 1HG2 ILE 79 HG21 ILE 79 19.254 11.812 -18.990 581 2HG2 ILE 79 HG22 ILE 79 20.361 11.814 -20.343 582 3HG2 ILE 79 HG23 ILE 79 18.611 11.676 -20.641 583 1HD1 ILE 79 HD11 ILE 79 17.309 10.891 -18.254 584 2HD1 ILE 79 HD12 ILE 79 16.761 9.289 -17.757 585 3HD1 ILE 79 HD13 ILE 79 18.381 9.842 -17.291 586 H SER 80 H SER 80 19.751 10.871 -23.214 587 HA SER 80 HA SER 80 22.688 11.314 -23.361 588 1HB SER 80 HB2 SER 80 20.870 10.610 -25.712 589 2HB SER 80 HB3 SER 80 22.604 10.957 -25.787 590 HG SER 80 HG SER 80 22.196 8.727 -25.819 591 H HIS 81 H HIS 81 23.186 13.410 -24.005 592 HA HIS 81 HA HIS 81 21.140 15.466 -24.123 593 1HB HIS 81 HB2 HIS 81 23.109 16.884 -24.805 594 2HB HIS 81 HB3 HIS 81 23.250 16.080 -23.249 595 HD1 HIS 81 HD1 HIS 81 24.132 14.203 -26.515 596 HD2 HIS 81 HD2 HIS 81 25.895 16.055 -23.167 597 HE1 HIS 81 HE1 HIS 81 26.602 13.558 -26.550 598 H GLN 82 H GLN 82 20.690 16.793 -26.009 599 HA GLN 82 HA GLN 82 21.242 15.499 -28.656 600 1HB GLN 82 HB2 GLN 82 18.723 16.987 -27.805 601 2HB GLN 82 HB3 GLN 82 19.086 16.420 -29.430 602 1HG GLN 82 HG2 GLN 82 19.042 14.088 -28.697 603 2HG GLN 82 HG3 GLN 82 18.810 14.578 -27.016 604 1HE2 GLN 82 HE22 GLN 82 16.839 15.939 -26.545 605 2HE2 GLN 82 HE21 GLN 82 15.351 15.393 -27.309 606 H SER 83 H SER 83 23.138 16.783 -28.855 607 HA SER 83 HA SER 83 23.508 19.374 -28.084 608 1HB SER 83 HB2 SER 83 24.731 18.123 -30.566 609 2HB SER 83 HB3 SER 83 25.468 19.298 -29.460 610 HG SER 83 HG SER 83 26.193 17.160 -29.063 611 H GLN 84 H GLN 84 21.515 18.411 -30.734 612 HA GLN 84 HA GLN 84 21.588 20.691 -32.431 613 1HB GLN 84 HB2 GLN 84 19.273 18.815 -31.729 614 2HB GLN 84 HB3 GLN 84 19.317 19.946 -33.070 615 1HG GLN 84 HG2 GLN 84 19.771 17.856 -34.027 616 2HG GLN 84 HG3 GLN 84 21.308 18.711 -34.001 617 1HE2 GLN 84 HE22 GLN 84 22.228 16.485 -34.320 618 2HE2 GLN 84 HE21 GLN 84 22.451 15.463 -32.923 619 H ASP 85 H ASP 85 19.913 20.051 -29.319 620 HA ASP 85 HA ASP 85 19.131 22.900 -29.135 621 1HB ASP 85 HB2 ASP 85 17.315 21.578 -30.342 622 2HB ASP 85 HB3 ASP 85 17.099 20.651 -28.859 623 H LYS 86 H LYS 86 20.794 20.670 -27.728 624 HA LYS 86 HA LYS 86 21.623 20.202 -25.740 625 1HB LYS 86 HB2 LYS 86 21.361 22.596 -25.148 626 2HB LYS 86 HB3 LYS 86 19.760 22.242 -24.481 627 1HG LYS 86 HG2 LYS 86 20.828 20.609 -22.896 628 2HG LYS 86 HG3 LYS 86 22.416 21.121 -23.500 629 1HD LYS 86 HD2 LYS 86 21.921 23.448 -22.786 630 2HD LYS 86 HD3 LYS 86 20.328 22.946 -22.213 631 1HE LYS 86 HE2 LYS 86 23.020 22.003 -21.123 632 2HE LYS 86 HE3 LYS 86 21.941 23.176 -20.366 633 1HZ LYS 86 HZ1 LYS 86 21.378 20.301 -20.763 634 2HZ LYS 86 HZ2 LYS 86 21.602 21.076 -19.342 635 3HZ LYS 86 HZ3 LYS 86 20.251 21.357 -20.232 636 H LYS 87 H LYS 87 18.073 20.532 -25.448 637 HA LYS 87 HA LYS 87 17.367 19.177 -23.283 638 1HB LYS 87 HB2 LYS 87 16.123 18.862 -26.038 639 2HB LYS 87 HB3 LYS 87 15.471 18.036 -24.634 640 1HG LYS 87 HG2 LYS 87 14.187 19.977 -24.976 641 2HG LYS 87 HG3 LYS 87 15.103 20.173 -23.476 642 1HD LYS 87 HD2 LYS 87 16.619 21.715 -24.468 643 2HD LYS 87 HD3 LYS 87 16.036 21.335 -26.098 644 1HE LYS 87 HE2 LYS 87 14.282 22.662 -23.991 645 2HE LYS 87 HE3 LYS 87 15.338 23.561 -25.085 646 1HZ LYS 87 HZ1 LYS 87 13.037 21.881 -25.896 647 2HZ LYS 87 HZ2 LYS 87 13.237 23.486 -26.088 648 3HZ LYS 87 HZ3 LYS 87 14.188 22.470 -26.952 649 H ILE 88 H ILE 88 17.950 17.309 -22.244 650 HA ILE 88 HA ILE 88 19.096 15.146 -23.731 651 HB ILE 88 HB ILE 88 19.134 13.817 -21.833 652 1HG1 ILE 88 HG12 ILE 88 16.924 13.984 -20.910 653 2HG1 ILE 88 HG13 ILE 88 18.153 14.200 -19.691 654 1HG2 ILE 88 HG21 ILE 88 19.713 16.652 -20.928 655 2HG2 ILE 88 HG22 ILE 88 20.349 15.146 -20.225 656 3HG2 ILE 88 HG23 ILE 88 20.777 15.599 -21.878 657 1HD1 ILE 88 HD11 ILE 88 17.767 16.631 -19.655 658 2HD1 ILE 88 HD12 ILE 88 16.508 16.453 -20.906 659 3HD1 ILE 88 HD13 ILE 88 16.296 15.722 -19.305 660 H HIS 89 H HIS 89 18.240 12.917 -23.732 661 HA HIS 89 HA HIS 89 15.339 12.743 -24.329 662 1HB HIS 89 HB2 HIS 89 16.821 13.030 -26.362 663 2HB HIS 89 HB3 HIS 89 17.650 11.547 -25.926 664 HD1 HIS 89 HD1 HIS 89 16.198 9.250 -26.309 665 HD2 HIS 89 HD2 HIS 89 14.508 12.869 -27.615 666 HE1 HIS 89 HE1 HIS 89 14.255 8.634 -27.834 667 H VAL 90 H VAL 90 14.505 10.618 -23.807 668 HA VAL 90 HA VAL 90 16.318 8.859 -22.205 669 HB VAL 90 HB VAL 90 13.355 9.359 -21.714 670 1HG1 VAL 90 HG11 VAL 90 15.501 8.248 -19.853 671 2HG1 VAL 90 HG12 VAL 90 13.753 8.314 -19.571 672 3HG1 VAL 90 HG13 VAL 90 14.421 7.258 -20.832 673 1HG2 VAL 90 HG21 VAL 90 14.015 10.761 -19.758 674 2HG2 VAL 90 HG22 VAL 90 15.685 10.784 -20.365 675 3HG2 VAL 90 HG23 VAL 90 14.373 11.509 -21.313 676 H TYR 91 H TYR 91 16.423 6.771 -23.056 677 HA TYR 91 HA TYR 91 14.211 5.669 -24.593 678 1HB TYR 91 HB2 TYR 91 15.117 5.752 -26.727 679 2HB TYR 91 HB3 TYR 91 15.267 7.361 -26.135 680 HD1 TYR 91 HD1 TYR 91 17.908 7.146 -24.540 681 HD2 TYR 91 HD2 TYR 91 16.720 5.636 -28.410 682 HE1 TYR 91 HE1 TYR 91 20.241 7.183 -25.253 683 HE2 TYR 91 HE2 TYR 91 19.068 5.736 -29.162 684 HH TYR 91 HH TYR 91 21.242 6.422 -28.628 685 H GLY 92 H GLY 92 15.286 3.679 -25.976 686 1HA GLY 92 HA2 GLY 92 16.388 1.651 -25.855 687 2HA GLY 92 HA3 GLY 92 17.468 2.330 -24.629 688 H TYR 93 H TYR 93 17.287 0.280 -23.524 689 HA TYR 93 HA TYR 93 15.050 0.135 -21.658 690 1HB TYR 93 HB2 TYR 93 14.627 -2.215 -22.104 691 2HB TYR 93 HB3 TYR 93 14.316 -1.297 -23.565 692 HD1 TYR 93 HD1 TYR 93 16.097 -1.342 -25.449 693 HD2 TYR 93 HD2 TYR 93 16.107 -4.063 -22.099 694 HE1 TYR 93 HE1 TYR 93 17.596 -2.852 -26.691 695 HE2 TYR 93 HE2 TYR 93 17.612 -5.587 -23.335 696 HH TYR 93 HH TYR 93 18.787 -4.874 -26.653 697 H SER 94 H SER 94 15.699 -1.077 -19.728 698 HA SER 94 HA SER 94 18.609 -1.328 -19.429 699 1HB SER 94 HB2 SER 94 18.173 -1.958 -17.148 700 2HB SER 94 HB3 SER 94 17.265 -0.500 -17.539 701 HG SER 94 HG SER 94 15.403 -1.954 -17.836 702 H MET 95 H MET 95 19.746 -3.216 -19.826 703 HA MET 95 HA MET 95 18.390 -5.526 -20.883 704 1HB MET 95 HB2 MET 95 21.207 -5.207 -19.757 705 2HB MET 95 HB3 MET 95 20.602 -6.653 -20.578 706 1HG MET 95 HG2 MET 95 20.135 -5.314 -22.614 707 2HG MET 95 HG3 MET 95 20.736 -3.871 -21.805 708 1HE MET 95 HE1 MET 95 21.584 -7.227 -23.573 709 2HE MET 95 HE2 MET 95 23.331 -7.409 -23.305 710 3HE MET 95 HE3 MET 95 22.203 -7.633 -21.955 711 H ALA 96 H ALA 96 19.201 -4.495 -17.611 712 HA ALA 96 HA ALA 96 18.924 -7.090 -16.396 713 1HB ALA 96 HB1 ALA 96 19.077 -5.808 -14.292 714 2HB ALA 96 HB2 ALA 96 20.343 -5.328 -15.438 715 3HB ALA 96 HB3 ALA 96 18.918 -4.287 -15.192 716 H TYR 97 H TYR 97 16.642 -4.280 -16.800 717 HA TYR 97 HA TYR 97 14.528 -5.954 -15.521 718 1HB TYR 97 HB2 TYR 97 14.951 -2.986 -15.081 719 2HB TYR 97 HB3 TYR 97 13.831 -4.045 -14.241 720 HD1 TYR 97 HD1 TYR 97 15.033 -6.175 -13.053 721 HD2 TYR 97 HD2 TYR 97 16.923 -2.402 -13.958 722 HE1 TYR 97 HE1 TYR 97 16.764 -6.640 -11.346 723 HE2 TYR 97 HE2 TYR 97 18.645 -2.845 -12.241 724 HH TYR 97 HH TYR 97 19.463 -4.384 -10.654 725 H GLY 98 H GLY 98 15.280 -4.492 -18.430 726 1HA GLY 98 HA2 GLY 98 13.873 -4.444 -20.271 727 2HA GLY 98 HA3 GLY 98 12.448 -4.508 -19.230 728 HA PRO 99 HA PRO 99 13.177 -0.099 -20.669 729 1HB PRO 99 HB2 PRO 99 10.849 0.291 -22.064 730 2HB PRO 99 HB3 PRO 99 12.321 -0.399 -22.798 731 1HG PRO 99 HG2 PRO 99 9.891 -1.865 -21.747 732 2HG PRO 99 HG3 PRO 99 10.790 -2.152 -23.268 733 1HD PRO 99 HD2 PRO 99 11.174 -3.640 -20.989 734 2HD PRO 99 HD3 PRO 99 12.494 -3.311 -22.148 735 H ALA 100 H ALA 100 12.565 1.486 -19.318 736 HA ALA 100 HA ALA 100 10.427 1.111 -17.334 737 1HB ALA 100 HB1 ALA 100 11.090 3.500 -16.795 738 2HB ALA 100 HB2 ALA 100 12.443 2.374 -16.708 739 3HB ALA 100 HB3 ALA 100 12.250 3.410 -18.137 740 H GLN 101 H GLN 101 8.773 2.900 -17.137 741 HA GLN 101 HA GLN 101 7.545 3.623 -19.729 742 1HB GLN 101 HB2 GLN 101 6.745 4.195 -16.839 743 2HB GLN 101 HB3 GLN 101 5.859 4.757 -18.261 744 1HG GLN 101 HG2 GLN 101 6.264 1.885 -17.382 745 2HG GLN 101 HG3 GLN 101 4.781 2.856 -17.289 746 1HE2 GLN 101 HE22 GLN 101 3.839 3.632 -19.438 747 2HE2 GLN 101 HE21 GLN 101 4.019 2.588 -20.822 748 H HIS 102 H HIS 102 9.487 4.835 -20.422 749 HA HIS 102 HA HIS 102 10.612 6.938 -18.969 750 1HB HIS 102 HB2 HIS 102 10.341 6.795 -21.978 751 2HB HIS 102 HB3 HIS 102 11.547 7.700 -21.077 752 HD1 HIS 102 HD1 HIS 102 11.140 4.327 -22.653 753 HD2 HIS 102 HD2 HIS 102 13.043 5.988 -19.303 754 HE1 HIS 102 HE1 HIS 102 12.795 2.579 -21.789 755 H ALA 103 H ALA 103 7.481 6.912 -20.476 756 HA ALA 103 HA ALA 103 6.909 9.651 -20.758 757 1HB ALA 103 HB1 ALA 103 5.383 7.872 -21.455 758 2HB ALA 103 HB2 ALA 103 5.174 7.334 -19.766 759 3HB ALA 103 HB3 ALA 103 4.569 8.925 -20.288 760 H ILE 104 H ILE 104 7.131 7.618 -17.813 761 HA ILE 104 HA ILE 104 5.990 9.508 -15.961 762 HB ILE 104 HB ILE 104 8.035 7.284 -15.520 763 1HG1 ILE 104 HG12 ILE 104 5.905 6.436 -16.546 764 2HG1 ILE 104 HG13 ILE 104 6.327 5.754 -14.989 765 1HG2 ILE 104 HG21 ILE 104 7.113 7.269 -13.168 766 2HG2 ILE 104 HG22 ILE 104 8.072 8.684 -13.610 767 3HG2 ILE 104 HG23 ILE 104 6.301 8.806 -13.546 768 1HD1 ILE 104 HD11 ILE 104 4.626 7.063 -13.870 769 2HD1 ILE 104 HD12 ILE 104 4.247 7.935 -15.386 770 3HD1 ILE 104 HD13 ILE 104 3.924 6.189 -15.241 771 H SER 105 H SER 105 9.352 8.677 -17.003 772 HA SER 105 HA SER 105 10.719 10.534 -15.458 773 1HB SER 105 HB2 SER 105 11.444 9.572 -18.253 774 2HB SER 105 HB3 SER 105 12.530 10.176 -17.011 775 HG SER 105 HG SER 105 12.428 7.874 -17.082 776 H THR 106 H THR 106 9.526 10.944 -18.880 777 HA THR 106 HA THR 106 10.550 13.544 -19.112 778 HB THR 106 HB THR 106 8.739 13.804 -20.929 779 HG1 THR 106 HG1 THR 106 7.267 12.241 -20.265 780 1HG2 THR 106 HG21 THR 106 10.682 11.453 -21.023 781 2HG2 THR 106 HG22 THR 106 9.924 12.246 -22.425 782 3HG2 THR 106 HG23 THR 106 11.044 13.150 -21.410 783 H GLU 107 H GLU 107 7.290 12.567 -17.877 784 HA GLU 107 HA GLU 107 6.358 15.238 -17.590 785 1HB GLU 107 HB2 GLU 107 5.658 12.628 -16.184 786 2HB GLU 107 HB3 GLU 107 4.829 14.141 -15.823 787 1HG GLU 107 HG2 GLU 107 4.966 12.904 -18.609 788 2HG GLU 107 HG3 GLU 107 3.644 12.663 -17.473 789 H LYS 108 H LYS 108 8.039 13.058 -15.258 790 HA LYS 108 HA LYS 108 7.989 14.940 -13.100 791 1HB LYS 108 HB2 LYS 108 9.753 12.531 -13.715 792 2HB LYS 108 HB3 LYS 108 9.896 13.492 -12.236 793 1HG LYS 108 HG2 LYS 108 7.645 13.015 -11.557 794 2HG LYS 108 HG3 LYS 108 7.313 12.137 -13.060 795 1HD LYS 108 HD2 LYS 108 8.937 10.433 -12.524 796 2HD LYS 108 HD3 LYS 108 9.517 11.309 -11.103 797 1HE LYS 108 HE2 LYS 108 6.588 10.559 -11.351 798 2HE LYS 108 HE3 LYS 108 7.762 9.344 -10.822 799 1HZ LYS 108 HZ1 LYS 108 8.123 10.393 -8.888 800 2HZ LYS 108 HZ2 LYS 108 7.897 11.903 -9.435 801 3HZ LYS 108 HZ3 LYS 108 6.593 10.940 -9.104 802 H ILE 109 H ILE 109 10.562 14.246 -15.539 803 HA ILE 109 HA ILE 109 12.439 16.093 -14.445 804 HB ILE 109 HB ILE 109 12.069 14.858 -17.174 805 1HG1 ILE 109 HG12 ILE 109 14.243 14.300 -15.103 806 2HG1 ILE 109 HG13 ILE 109 12.731 13.405 -15.162 807 1HG2 ILE 109 HG21 ILE 109 14.290 15.593 -17.858 808 2HG2 ILE 109 HG22 ILE 109 13.368 17.022 -17.432 809 3HG2 ILE 109 HG23 ILE 109 14.574 16.369 -16.300 810 1HD1 ILE 109 HD11 ILE 109 14.411 12.122 -16.314 811 2HD1 ILE 109 HD12 ILE 109 13.255 12.712 -17.522 812 3HD1 ILE 109 HD13 ILE 109 14.849 13.482 -17.349 813 H LYS 110 H LYS 110 9.881 16.551 -17.051 814 HA LYS 110 HA LYS 110 10.644 19.273 -17.498 815 1HB LYS 110 HB2 LYS 110 7.978 17.853 -17.899 816 2HB LYS 110 HB3 LYS 110 8.267 19.544 -18.340 817 1HG LYS 110 HG2 LYS 110 10.110 18.872 -19.850 818 2HG LYS 110 HG3 LYS 110 9.850 17.185 -19.419 819 1HD LYS 110 HD2 LYS 110 8.837 17.552 -21.543 820 2HD LYS 110 HD3 LYS 110 7.548 17.296 -20.357 821 1HE LYS 110 HE2 LYS 110 7.182 19.756 -20.224 822 2HE LYS 110 HE3 LYS 110 8.508 20.024 -21.364 823 1HZ LYS 110 HZ1 LYS 110 7.215 18.837 -23.042 824 2HZ LYS 110 HZ2 LYS 110 5.993 18.579 -21.984 825 3HZ LYS 110 HZ3 LYS 110 6.358 20.093 -22.459 826 H ALA 111 H ALA 111 8.402 17.851 -15.063 827 HA ALA 111 HA ALA 111 7.506 20.379 -14.071 828 1HB ALA 111 HB1 ALA 111 6.738 19.069 -12.122 829 2HB ALA 111 HB2 ALA 111 6.305 18.277 -13.649 830 3HB ALA 111 HB3 ALA 111 7.665 17.663 -12.684 831 H LYS 112 H LYS 112 10.163 18.195 -12.958 832 HA LYS 112 HA LYS 112 10.867 19.992 -10.770 833 1HB LYS 112 HB2 LYS 112 11.890 17.325 -11.785 834 2HB LYS 112 HB3 LYS 112 12.856 18.261 -10.658 835 1HG LYS 112 HG2 LYS 112 11.511 16.639 -9.454 836 2HG LYS 112 HG3 LYS 112 11.106 18.293 -8.998 837 1HD LYS 112 HD2 LYS 112 9.035 18.176 -10.381 838 2HD LYS 112 HD3 LYS 112 9.484 16.543 -10.894 839 1HE LYS 112 HE2 LYS 112 7.795 16.388 -9.208 840 2HE LYS 112 HE3 LYS 112 9.304 15.751 -8.571 841 1HZ LYS 112 HZ1 LYS 112 8.162 17.183 -6.974 842 2HZ LYS 112 HZ2 LYS 112 9.593 17.858 -7.361 843 3HZ LYS 112 HZ3 LYS 112 8.204 18.450 -7.990 844 H TYR 113 H TYR 113 11.786 19.808 -14.080 845 HA TYR 113 HA TYR 113 13.111 20.975 -15.362 846 1HB TYR 113 HB2 TYR 113 11.820 22.739 -14.000 847 2HB TYR 113 HB3 TYR 113 13.331 23.066 -13.186 848 HD1 TYR 113 HD1 TYR 113 11.597 23.019 -16.493 849 HD2 TYR 113 HD2 TYR 113 14.953 24.526 -14.237 850 HE1 TYR 113 HE1 TYR 113 12.040 24.688 -18.269 851 HE2 TYR 113 HE2 TYR 113 15.414 26.186 -16.012 852 HH TYR 113 HH TYR 113 14.717 27.075 -18.047 853 HA PRO 114 HA PRO 114 17.237 19.874 -13.223 854 1HB PRO 114 HB2 PRO 114 17.153 17.481 -15.019 855 2HB PRO 114 HB3 PRO 114 17.769 17.612 -13.346 856 1HG PRO 114 HG2 PRO 114 15.410 16.365 -13.919 857 2HG PRO 114 HG3 PRO 114 15.606 17.360 -12.440 858 1HD PRO 114 HD2 PRO 114 14.336 18.155 -15.073 859 2HD PRO 114 HD3 PRO 114 13.758 18.379 -13.400 860 H ASP 115 H ASP 115 15.664 19.846 -16.361 861 HA ASP 115 HA ASP 115 17.866 21.251 -17.672 862 1HB ASP 115 HB2 ASP 115 18.164 18.779 -18.186 863 2HB ASP 115 HB3 ASP 115 16.555 18.791 -18.914 864 H TYR 116 H TYR 116 16.921 22.136 -19.801 865 HA TYR 116 HA TYR 116 14.715 23.744 -19.170 866 1HB TYR 116 HB2 TYR 116 15.905 23.012 -21.875 867 2HB TYR 116 HB3 TYR 116 14.702 24.267 -21.645 868 HD1 TYR 116 HD1 TYR 116 18.242 23.348 -21.056 869 HD2 TYR 116 HD2 TYR 116 15.236 26.409 -20.627 870 HE1 TYR 116 HE1 TYR 116 20.013 25.004 -20.559 871 HE2 TYR 116 HE2 TYR 116 16.998 28.079 -20.134 872 HH TYR 116 HH TYR 116 20.494 27.228 -20.043 873 H GLU 117 H GLU 117 14.777 20.655 -20.932 874 HA GLU 117 HA GLU 117 12.022 20.057 -20.606 875 1HB GLU 117 HB2 GLU 117 11.641 21.702 -22.331 876 2HB GLU 117 HB3 GLU 117 12.985 21.126 -23.288 877 1HG GLU 117 HG2 GLU 117 11.719 19.088 -23.864 878 2HG GLU 117 HG3 GLU 117 10.394 19.612 -22.805 879 H VAL 118 H VAL 118 11.726 17.891 -22.098 880 HA VAL 118 HA VAL 118 14.188 16.519 -22.726 881 HB VAL 118 HB VAL 118 14.160 16.224 -20.322 882 1HG1 VAL 118 HG11 VAL 118 12.251 14.895 -19.276 883 2HG1 VAL 118 HG12 VAL 118 12.003 16.617 -19.584 884 3HG1 VAL 118 HG13 VAL 118 11.273 15.402 -20.660 885 1HG2 VAL 118 HG21 VAL 118 14.273 13.868 -20.074 886 2HG2 VAL 118 HG22 VAL 118 13.219 13.584 -21.469 887 3HG2 VAL 118 HG23 VAL 118 14.836 14.260 -21.700 888 H THR 119 H THR 119 13.588 14.310 -23.651 889 HA THR 119 HA THR 119 10.838 14.095 -24.706 890 HB THR 119 HB THR 119 12.107 13.630 -26.993 891 HG1 THR 119 HG1 THR 119 13.873 15.346 -25.578 892 1HG2 THR 119 HG21 THR 119 11.772 15.937 -27.708 893 2HG2 THR 119 HG22 THR 119 10.430 15.423 -26.673 894 3HG2 THR 119 HG23 THR 119 11.694 16.492 -26.023 895 H TRP 120 H TRP 120 10.664 11.827 -25.902 896 HA TRP 120 HA TRP 120 12.676 9.942 -24.997 897 1HB TRP 120 HB2 TRP 120 11.255 8.494 -23.753 898 2HB TRP 120 HB3 TRP 120 11.076 10.078 -23.044 899 HD1 TRP 120 HD1 TRP 120 8.686 11.363 -24.145 900 HE1 TRP 120 HE1 TRP 120 6.341 10.360 -24.096 901 HE3 TRP 120 HE3 TRP 120 9.940 6.403 -24.107 902 HZ2 TRP 120 HZ2 TRP 120 5.144 7.724 -24.074 903 HZ3 TRP 120 HZ3 TRP 120 8.177 4.671 -23.982 904 HH2 TRP 120 HH2 TRP 120 5.777 5.315 -23.983 905 H ALA 121 H ALA 121 12.167 7.705 -25.664 906 HA ALA 121 HA ALA 121 10.177 7.357 -27.752 907 1HB ALA 121 HB1 ALA 121 11.770 6.178 -29.270 908 2HB ALA 121 HB2 ALA 121 12.196 7.900 -29.118 909 3HB ALA 121 HB3 ALA 121 13.125 6.654 -28.236 910 H ASN 122 H ASN 122 9.491 5.197 -27.777 911 HA ASN 122 HA ASN 122 10.109 3.652 -25.375 912 1HB ASN 122 HB2 ASN 122 8.164 2.443 -25.851 913 2HB ASN 122 HB3 ASN 122 7.766 4.098 -26.290 914 1HD2 ASN 122 HD22 ASN 122 6.879 1.215 -27.261 915 2HD2 ASN 122 HD21 ASN 122 6.913 1.382 -28.995 916 H ASP 123 H ASP 123 12.209 3.875 -27.535 917 HA ASP 123 HA ASP 123 12.695 1.044 -28.103 918 1HB ASP 123 HB2 ASP 123 12.387 1.081 -30.308 919 2HB ASP 123 HB3 ASP 123 11.348 2.479 -30.033 920 H GLY 124 H GLY 124 14.925 0.773 -29.003 921 1HA GLY 124 HA2 GLY 124 16.875 2.364 -29.656 922 2HA GLY 124 HA3 GLY 124 16.836 2.791 -27.943 923 H TYR 125 H TYR 125 19.144 1.813 -28.760 924 HA TYR 125 HA TYR 125 19.413 -0.743 -27.363 925 1HB TYR 125 HB2 TYR 125 20.531 -0.219 -30.161 926 2HB TYR 125 HB3 TYR 125 21.034 -1.527 -29.107 927 HD1 TYR 125 HD1 TYR 125 18.429 -0.349 -31.412 928 HD2 TYR 125 HD2 TYR 125 19.510 -3.420 -28.584 929 HE1 TYR 125 HE1 TYR 125 16.619 -1.794 -32.298 930 HE2 TYR 125 HE2 TYR 125 17.704 -4.875 -29.456 931 HH TYR 125 HH TYR 125 15.962 -5.081 -30.992 Start of MODEL 16 1 1H MET 1 H1 MET 1 10.541 13.570 16.327 2 2H MET 1 H2 MET 1 10.676 15.180 16.622 3 3H MET 1 H3 MET 1 9.202 14.504 16.387 4 HA MET 1 HA MET 1 9.839 15.701 14.434 5 1HB MET 1 HB2 MET 1 12.300 15.483 14.800 6 2HB MET 1 HB3 MET 1 12.211 13.778 14.339 7 1HG MET 1 HG2 MET 1 11.383 14.448 12.091 8 2HG MET 1 HG3 MET 1 11.462 16.147 12.572 9 1HE MET 1 HE1 MET 1 14.311 15.766 9.897 10 2HE MET 1 HE2 MET 1 12.753 14.909 9.926 11 3HE MET 1 HE3 MET 1 12.829 16.634 10.357 12 H ALA 2 H ALA 2 8.399 15.057 12.896 13 HA ALA 2 HA ALA 2 7.198 12.485 12.872 14 1HB ALA 2 HB1 ALA 2 6.095 14.553 12.065 15 2HB ALA 2 HB2 ALA 2 7.248 14.641 10.709 16 3HB ALA 2 HB3 ALA 2 6.096 13.296 10.816 17 H VAL 3 H VAL 3 7.120 10.988 10.973 18 HA VAL 3 HA VAL 3 9.725 10.119 10.122 19 HB VAL 3 HB VAL 3 8.439 8.442 8.888 20 1HG1 VAL 3 HG11 VAL 3 8.933 8.196 11.352 21 2HG1 VAL 3 HG12 VAL 3 7.289 8.756 11.692 22 3HG1 VAL 3 HG13 VAL 3 7.547 7.259 10.774 23 1HG2 VAL 3 HG21 VAL 3 6.445 9.786 8.225 24 2HG2 VAL 3 HG22 VAL 3 6.019 8.263 9.005 25 3HG2 VAL 3 HG23 VAL 3 5.892 9.780 9.912 26 H ALA 4 H ALA 4 10.346 9.843 7.820 27 HA ALA 4 HA ALA 4 9.907 12.210 6.193 28 1HB ALA 4 HB1 ALA 4 11.242 11.017 4.513 29 2HB ALA 4 HB2 ALA 4 12.032 10.908 6.095 30 3HB ALA 4 HB3 ALA 4 11.146 9.518 5.441 31 H ASP 5 H ASP 5 9.070 11.815 3.816 32 HA ASP 5 HA ASP 5 6.740 9.996 3.727 33 1HB ASP 5 HB2 ASP 5 5.856 12.036 4.778 34 2HB ASP 5 HB3 ASP 5 6.587 13.034 3.519 35 H LEU 6 H LEU 6 5.986 9.713 1.569 36 HA LEU 6 HA LEU 6 7.943 9.431 -0.379 37 1HB LEU 6 HB2 LEU 6 4.918 9.677 -0.591 38 2HB LEU 6 HB3 LEU 6 5.949 9.221 -1.925 39 HG LEU 6 HG LEU 6 5.727 7.634 0.638 40 1HD1 LEU 6 HD11 LEU 6 3.606 7.607 -0.567 41 2HD1 LEU 6 HD12 LEU 6 4.415 7.211 -2.091 42 3HD1 LEU 6 HD13 LEU 6 4.401 6.039 -0.770 43 1HD2 LEU 6 HD21 LEU 6 6.800 5.811 -0.672 44 2HD2 LEU 6 HD22 LEU 6 7.064 6.930 -2.012 45 3HD2 LEU 6 HD23 LEU 6 7.866 7.188 -0.444 46 H ALA 7 H ALA 7 5.875 12.313 0.173 47 HA ALA 7 HA ALA 7 6.524 13.502 -2.353 48 1HB ALA 7 HB1 ALA 7 5.435 15.494 -1.411 49 2HB ALA 7 HB2 ALA 7 4.462 14.044 -1.094 50 3HB ALA 7 HB3 ALA 7 5.449 14.761 0.205 51 H LEU 8 H LEU 8 8.165 13.300 0.733 52 HA LEU 8 HA LEU 8 9.796 15.724 0.305 53 1HB LEU 8 HB2 LEU 8 9.878 13.612 2.500 54 2HB LEU 8 HB3 LEU 8 10.808 15.102 2.474 55 HG LEU 8 HG LEU 8 7.765 14.944 2.626 56 1HD1 LEU 8 HD11 LEU 8 8.064 15.702 4.947 57 2HD1 LEU 8 HD12 LEU 8 8.866 14.151 4.680 58 3HD1 LEU 8 HD13 LEU 8 9.831 15.641 4.756 59 1HD2 LEU 8 HD21 LEU 8 7.896 17.371 3.166 60 2HD2 LEU 8 HD22 LEU 8 9.635 17.349 2.795 61 3HD2 LEU 8 HD23 LEU 8 8.434 17.024 1.523 62 H ILE 9 H ILE 9 9.937 12.297 -0.348 63 HA ILE 9 HA ILE 9 12.725 11.875 -0.395 64 HB ILE 9 HB ILE 9 10.523 10.672 -2.115 65 1HG1 ILE 9 HG12 ILE 9 11.878 9.775 0.475 66 2HG1 ILE 9 HG13 ILE 9 10.218 10.336 0.306 67 1HG2 ILE 9 HG21 ILE 9 12.753 10.344 -3.176 68 2HG2 ILE 9 HG22 ILE 9 13.362 9.665 -1.655 69 3HG2 ILE 9 HG23 ILE 9 12.095 8.833 -2.583 70 1HD1 ILE 9 HD11 ILE 9 9.781 8.369 -1.228 71 2HD1 ILE 9 HD12 ILE 9 11.359 7.737 -0.700 72 3HD1 ILE 9 HD13 ILE 9 10.077 8.000 0.489 73 HA PRO 10 HA PRO 10 13.860 14.651 -3.858 74 1HB PRO 10 HB2 PRO 10 16.029 12.580 -4.249 75 2HB PRO 10 HB3 PRO 10 16.154 14.364 -4.243 76 1HG PRO 10 HG2 PRO 10 16.899 12.920 -2.068 77 2HG PRO 10 HG3 PRO 10 15.972 14.442 -1.867 78 1HD PRO 10 HD2 PRO 10 14.948 11.596 -1.778 79 2HD PRO 10 HD3 PRO 10 14.566 12.977 -0.703 80 H ASP 11 H ASP 11 12.447 14.504 -5.538 81 HA ASP 11 HA ASP 11 11.511 11.984 -6.482 82 1HB ASP 11 HB2 ASP 11 10.270 14.211 -6.213 83 2HB ASP 11 HB3 ASP 11 10.985 14.689 -7.755 84 H VAL 12 H VAL 12 13.750 14.368 -7.868 85 HA VAL 12 HA VAL 12 14.497 12.484 -10.035 86 HB VAL 12 HB VAL 12 13.896 15.461 -10.376 87 1HG1 VAL 12 HG11 VAL 12 14.393 15.078 -12.777 88 2HG1 VAL 12 HG12 VAL 12 15.813 14.809 -11.771 89 3HG1 VAL 12 HG13 VAL 12 14.907 13.417 -12.414 90 1HG2 VAL 12 HG21 VAL 12 12.173 14.759 -11.981 91 2HG2 VAL 12 HG22 VAL 12 12.492 13.052 -11.609 92 3HG2 VAL 12 HG23 VAL 12 11.815 14.121 -10.372 93 H ASP 13 H ASP 13 16.742 12.393 -10.223 94 HA ASP 13 HA ASP 13 18.343 14.686 -9.441 95 1HB ASP 13 HB2 ASP 13 18.197 13.522 -7.268 96 2HB ASP 13 HB3 ASP 13 18.780 12.036 -8.015 97 H ILE 14 H ILE 14 19.200 14.888 -11.385 98 HA ILE 14 HA ILE 14 20.860 12.823 -12.592 99 HB ILE 14 HB ILE 14 19.851 13.134 -14.818 100 1HG1 ILE 14 HG12 ILE 14 17.540 14.578 -13.442 101 2HG1 ILE 14 HG13 ILE 14 18.773 15.357 -14.432 102 1HG2 ILE 14 HG21 ILE 14 17.754 12.089 -12.877 103 2HG2 ILE 14 HG22 ILE 14 17.991 11.614 -14.566 104 3HG2 ILE 14 HG23 ILE 14 19.217 11.206 -13.367 105 1HD1 ILE 14 HD11 ILE 14 18.058 13.975 -16.386 106 2HD1 ILE 14 HD12 ILE 14 16.723 13.331 -15.395 107 3HD1 ILE 14 HD13 ILE 14 16.799 15.059 -15.764 108 H ASP 15 H ASP 15 22.022 13.987 -14.545 109 HA ASP 15 HA ASP 15 22.345 16.909 -14.046 110 1HB ASP 15 HB2 ASP 15 24.191 15.873 -12.915 111 2HB ASP 15 HB3 ASP 15 24.531 14.829 -14.302 112 H SER 16 H SER 16 21.286 17.597 -15.830 113 HA SER 16 HA SER 16 21.140 16.395 -18.312 114 1HB SER 16 HB2 SER 16 21.003 19.376 -17.748 115 2HB SER 16 HB3 SER 16 20.105 18.467 -18.976 116 HG SER 16 HG SER 16 19.069 19.081 -16.867 117 H ASP 17 H ASP 17 23.976 17.990 -17.067 118 HA ASP 17 HA ASP 17 24.973 18.892 -19.670 119 1HB ASP 17 HB2 ASP 17 25.644 19.952 -17.523 120 2HB ASP 17 HB3 ASP 17 26.414 18.439 -17.034 121 H GLY 18 H GLY 18 24.623 15.817 -18.153 122 1HA GLY 18 HA2 GLY 18 26.998 14.651 -19.551 123 2HA GLY 18 HA3 GLY 18 26.290 14.071 -18.050 124 H VAL 19 H VAL 19 26.670 12.198 -19.752 125 HA VAL 19 HA VAL 19 24.047 11.403 -20.867 126 HB VAL 19 HB VAL 19 26.769 11.250 -22.267 127 1HG1 VAL 19 HG11 VAL 19 24.090 10.100 -23.125 128 2HG1 VAL 19 HG12 VAL 19 25.544 10.172 -24.142 129 3HG1 VAL 19 HG13 VAL 19 25.535 9.179 -22.682 130 1HG2 VAL 19 HG21 VAL 19 25.629 12.547 -24.083 131 2HG2 VAL 19 HG22 VAL 19 24.230 12.768 -23.004 132 3HG2 VAL 19 HG23 VAL 19 25.808 13.457 -22.585 133 H PHE 20 H PHE 20 23.574 9.403 -19.976 134 HA PHE 20 HA PHE 20 25.552 7.478 -19.140 135 1HB PHE 20 HB2 PHE 20 24.951 7.797 -16.642 136 2HB PHE 20 HB3 PHE 20 26.134 8.862 -17.360 137 HD1 PHE 20 HD1 PHE 20 25.991 11.154 -16.985 138 HD2 PHE 20 HD2 PHE 20 22.395 8.779 -16.729 139 HE1 PHE 20 HE1 PHE 20 24.681 13.178 -16.408 140 HE2 PHE 20 HE2 PHE 20 21.103 10.805 -16.154 141 HZ PHE 20 HZ PHE 20 22.227 13.012 -16.063 142 H LYS 21 H LYS 21 24.446 5.817 -17.655 143 HA LYS 21 HA LYS 21 21.829 5.203 -18.807 144 1HB LYS 21 HB2 LYS 21 23.583 3.688 -16.832 145 2HB LYS 21 HB3 LYS 21 22.030 3.117 -17.457 146 1HG LYS 21 HG2 LYS 21 22.885 3.152 -19.768 147 2HG LYS 21 HG3 LYS 21 24.458 3.737 -19.186 148 1HD LYS 21 HD2 LYS 21 24.672 1.692 -17.785 149 2HD LYS 21 HD3 LYS 21 23.159 1.070 -18.476 150 1HE LYS 21 HE2 LYS 21 24.149 1.120 -20.737 151 2HE LYS 21 HE3 LYS 21 25.636 1.831 -20.091 152 1HZ LYS 21 HZ1 LYS 21 25.955 -0.203 -18.792 153 2HZ LYS 21 HZ2 LYS 21 24.625 -0.885 -19.479 154 3HZ LYS 21 HZ3 LYS 21 25.921 -0.519 -20.398 155 H TYR 22 H TYR 22 20.023 4.553 -17.364 156 HA TYR 22 HA TYR 22 19.860 6.053 -14.833 157 1HB TYR 22 HB2 TYR 22 18.709 7.728 -15.689 158 2HB TYR 22 HB3 TYR 22 18.978 7.128 -17.304 159 HD1 TYR 22 HD1 TYR 22 16.497 8.186 -15.096 160 HD2 TYR 22 HD2 TYR 22 17.303 5.045 -17.921 161 HE1 TYR 22 HE1 TYR 22 14.064 7.810 -15.386 162 HE2 TYR 22 HE2 TYR 22 14.886 4.605 -18.153 163 HH TYR 22 HH TYR 22 12.441 6.753 -16.626 164 H VAL 23 H VAL 23 17.666 5.573 -13.775 165 HA VAL 23 HA VAL 23 16.380 3.126 -14.676 166 HB VAL 23 HB VAL 23 18.360 2.422 -13.254 167 1HG1 VAL 23 HG11 VAL 23 16.733 3.550 -10.949 168 2HG1 VAL 23 HG12 VAL 23 18.221 2.605 -10.828 169 3HG1 VAL 23 HG13 VAL 23 18.246 4.227 -11.554 170 1HG2 VAL 23 HG21 VAL 23 17.192 0.703 -12.028 171 2HG2 VAL 23 HG22 VAL 23 15.647 1.564 -12.194 172 3HG2 VAL 23 HG23 VAL 23 16.486 0.914 -13.626 173 H LEU 24 H LEU 24 14.337 2.816 -13.619 174 HA LEU 24 HA LEU 24 13.195 5.287 -12.383 175 1HB LEU 24 HB2 LEU 24 12.451 4.873 -14.714 176 2HB LEU 24 HB3 LEU 24 11.982 3.231 -14.286 177 HG LEU 24 HG LEU 24 10.228 4.158 -12.735 178 1HD1 LEU 24 HD11 LEU 24 9.637 6.575 -12.983 179 2HD1 LEU 24 HD12 LEU 24 11.194 6.343 -12.180 180 3HD1 LEU 24 HD13 LEU 24 11.140 6.825 -13.890 181 1HD2 LEU 24 HD21 LEU 24 9.700 3.530 -15.051 182 2HD2 LEU 24 HD22 LEU 24 8.732 4.912 -14.526 183 3HD2 LEU 24 HD23 LEU 24 10.124 5.170 -15.607 184 H ILE 25 H ILE 25 12.687 4.783 -10.224 185 HA ILE 25 HA ILE 25 11.976 1.963 -9.653 186 HB ILE 25 HB ILE 25 13.977 1.695 -8.977 187 1HG1 ILE 25 HG12 ILE 25 12.557 1.495 -6.941 188 2HG1 ILE 25 HG13 ILE 25 14.297 1.546 -6.730 189 1HG2 ILE 25 HG21 ILE 25 15.683 3.146 -8.083 190 2HG2 ILE 25 HG22 ILE 25 15.045 3.765 -9.612 191 3HG2 ILE 25 HG23 ILE 25 14.548 4.526 -8.098 192 1HD1 ILE 25 HD11 ILE 25 14.267 3.816 -5.926 193 2HD1 ILE 25 HD12 ILE 25 12.507 3.920 -6.192 194 3HD1 ILE 25 HD13 ILE 25 13.175 2.810 -4.995 195 H ARG 26 H ARG 26 10.360 1.569 -8.470 196 HA ARG 26 HA ARG 26 8.589 3.722 -7.547 197 1HB ARG 26 HB2 ARG 26 7.704 1.775 -8.718 198 2HB ARG 26 HB3 ARG 26 8.420 0.671 -7.546 199 1HG ARG 26 HG2 ARG 26 6.911 1.279 -5.832 200 2HG ARG 26 HG3 ARG 26 6.446 2.789 -6.621 201 1HD ARG 26 HD2 ARG 26 5.810 0.036 -7.763 202 2HD ARG 26 HD3 ARG 26 4.701 0.968 -6.732 203 HE ARG 26 HE ARG 26 5.420 2.764 -8.669 204 1HH1 ARG 26 HH11 ARG 26 3.829 -0.416 -8.797 205 2HH1 ARG 26 HH12 ARG 26 3.021 -0.095 -10.285 206 1HH2 ARG 26 HH21 ARG 26 4.433 3.179 -10.630 207 2HH2 ARG 26 HH22 ARG 26 3.342 2.028 -11.344 208 H VAL 27 H VAL 27 8.143 4.087 -5.393 209 HA VAL 27 HA VAL 27 9.668 2.642 -3.297 210 HB VAL 27 HB VAL 27 8.967 5.620 -3.340 211 1HG1 VAL 27 HG11 VAL 27 9.233 4.636 -1.087 212 2HG1 VAL 27 HG12 VAL 27 10.833 4.006 -1.552 213 3HG1 VAL 27 HG13 VAL 27 10.552 5.749 -1.457 214 1HG2 VAL 27 HG21 VAL 27 11.682 4.392 -3.937 215 2HG2 VAL 27 HG22 VAL 27 10.670 5.313 -5.080 216 3HG2 VAL 27 HG23 VAL 27 11.358 6.118 -3.674 217 H HIS 28 H HIS 28 8.308 2.060 -1.589 218 HA HIS 28 HA HIS 28 5.425 2.841 -1.735 219 1HB HIS 28 HB2 HIS 28 6.741 0.491 -0.315 220 2HB HIS 28 HB3 HIS 28 5.014 0.791 -0.495 221 HD1 HIS 28 HD1 HIS 28 4.233 0.773 -3.312 222 HD2 HIS 28 HD2 HIS 28 7.790 -1.111 -2.077 223 HE1 HIS 28 HE1 HIS 28 4.827 -0.908 -5.125 224 H SER 29 H SER 29 4.481 3.729 0.221 225 HA SER 29 HA SER 29 6.319 5.185 1.843 226 1HB SER 29 HB2 SER 29 4.211 5.767 3.154 227 2HB SER 29 HB3 SER 29 4.273 6.236 1.471 228 HG SER 29 HG SER 29 2.784 4.226 2.698 229 H ALA 30 H ALA 30 7.672 4.072 3.163 230 HA ALA 30 HA ALA 30 6.439 3.015 5.576 231 1HB ALA 30 HB1 ALA 30 6.695 0.990 4.178 232 2HB ALA 30 HB2 ALA 30 8.434 1.298 4.041 233 3HB ALA 30 HB3 ALA 30 7.715 0.926 5.616 234 HA PRO 31 HA PRO 31 10.903 5.058 6.013 235 1HB PRO 31 HB2 PRO 31 9.209 7.504 6.544 236 2HB PRO 31 HB3 PRO 31 10.954 7.400 6.133 237 1HG PRO 31 HG2 PRO 31 9.140 7.939 4.183 238 2HG PRO 31 HG3 PRO 31 10.458 6.780 3.879 239 1HD PRO 31 HD2 PRO 31 7.570 6.207 4.573 240 2HD PRO 31 HD3 PRO 31 8.660 5.388 3.411 241 H ARG 32 H ARG 32 11.701 4.909 8.011 242 HA ARG 32 HA ARG 32 11.809 4.083 10.113 243 1HB ARG 32 HB2 ARG 32 10.312 6.693 10.301 244 2HB ARG 32 HB3 ARG 32 10.759 5.826 11.774 245 1HG ARG 32 HG2 ARG 32 13.072 5.990 11.364 246 2HG ARG 32 HG3 ARG 32 12.856 6.378 9.657 247 1HD ARG 32 HD2 ARG 32 13.581 8.327 10.994 248 2HD ARG 32 HD3 ARG 32 12.057 8.568 10.126 249 HE ARG 32 HE ARG 32 11.713 7.670 12.881 250 1HH1 ARG 32 HH21 ARG 32 12.367 10.567 10.953 251 2HH1 ARG 32 HH22 ARG 32 11.236 11.571 11.792 252 1HH2 ARG 32 HH12 ARG 32 10.419 9.080 14.200 253 2HH2 ARG 32 HH11 ARG 32 10.311 10.766 13.823 254 H SER 33 H SER 33 9.592 2.861 8.594 255 HA SER 33 HA SER 33 7.831 1.529 8.844 256 1HB SER 33 HB2 SER 33 8.932 1.032 11.632 257 2HB SER 33 HB3 SER 33 7.934 -0.064 10.663 258 HG SER 33 HG SER 33 10.168 -0.578 10.558 259 H GLY 34 H GLY 34 7.314 4.338 9.484 260 1HA GLY 34 HA2 GLY 34 4.935 4.041 11.276 261 2HA GLY 34 HA3 GLY 34 6.138 5.312 11.524 262 H ALA 35 H ALA 35 5.522 4.481 8.202 263 HA ALA 35 HA ALA 35 4.453 7.051 7.542 264 1HB ALA 35 HB1 ALA 35 4.084 6.056 5.324 265 2HB ALA 35 HB2 ALA 35 5.698 5.646 5.934 266 3HB ALA 35 HB3 ALA 35 4.387 4.434 5.973 267 HA PRO 36 HA PRO 36 0.245 6.328 8.649 268 1HB PRO 36 HB2 PRO 36 -1.117 8.218 7.228 269 2HB PRO 36 HB3 PRO 36 0.075 8.638 8.494 270 1HG PRO 36 HG2 PRO 36 0.533 8.485 5.492 271 2HG PRO 36 HG3 PRO 36 0.945 9.833 6.605 272 1HD PRO 36 HD2 PRO 36 2.783 7.956 5.888 273 2HD PRO 36 HD3 PRO 36 2.744 8.630 7.545 274 H ALA 37 H ALA 37 1.226 5.505 5.443 275 HA ALA 37 HA ALA 37 -1.236 4.020 4.862 276 1HB ALA 37 HB1 ALA 37 -1.675 6.365 4.076 277 2HB ALA 37 HB2 ALA 37 -0.213 6.278 3.068 278 3HB ALA 37 HB3 ALA 37 -1.596 5.212 2.734 279 H ALA 38 H ALA 38 -0.861 3.169 2.438 280 HA ALA 38 HA ALA 38 1.959 2.329 2.019 281 1HB ALA 38 HB1 ALA 38 -0.498 0.531 1.867 282 2HB ALA 38 HB2 ALA 38 1.172 0.076 1.459 283 3HB ALA 38 HB3 ALA 38 0.752 0.479 3.134 284 H GLU 39 H GLU 39 1.243 4.478 0.858 285 HA GLU 39 HA GLU 39 0.080 4.029 -1.809 286 1HB GLU 39 HB2 GLU 39 1.360 6.469 -0.478 287 2HB GLU 39 HB3 GLU 39 0.688 6.461 -2.108 288 1HG GLU 39 HG2 GLU 39 -0.865 6.017 0.475 289 2HG GLU 39 HG3 GLU 39 -0.863 7.472 -0.509 290 H SER 40 H SER 40 1.600 5.019 -3.638 291 HA SER 40 HA SER 40 4.423 4.410 -3.187 292 1HB SER 40 HB2 SER 40 3.065 3.180 -5.590 293 2HB SER 40 HB3 SER 40 4.640 2.798 -4.892 294 HG SER 40 HG SER 40 2.064 2.187 -3.843 295 H LYS 41 H LYS 41 5.801 5.260 -4.878 296 HA LYS 41 HA LYS 41 4.733 6.661 -7.142 297 1HB LYS 41 HB2 LYS 41 5.760 8.900 -6.604 298 2HB LYS 41 HB3 LYS 41 4.308 8.493 -5.727 299 1HG LYS 41 HG2 LYS 41 5.675 9.563 -4.183 300 2HG LYS 41 HG3 LYS 41 5.671 7.870 -3.748 301 1HD LYS 41 HD2 LYS 41 7.870 8.786 -3.379 302 2HD LYS 41 HD3 LYS 41 7.952 7.598 -4.656 303 1HE LYS 41 HE2 LYS 41 9.321 9.479 -5.249 304 2HE LYS 41 HE3 LYS 41 7.955 9.435 -6.353 305 1HZ LYS 41 HZ1 LYS 41 8.404 11.641 -5.614 306 2HZ LYS 41 HZ2 LYS 41 6.941 11.217 -5.032 307 3HZ LYS 41 HZ3 LYS 41 8.222 11.245 -4.004 308 H GLU 42 H GLU 42 6.629 7.647 -8.425 309 HA GLU 42 HA GLU 42 8.876 5.699 -8.207 310 1HB GLU 42 HB2 GLU 42 7.515 7.137 -10.515 311 2HB GLU 42 HB3 GLU 42 9.163 6.547 -10.660 312 1HG GLU 42 HG2 GLU 42 7.789 4.912 -11.616 313 2HG GLU 42 HG3 GLU 42 8.424 4.250 -10.116 314 H ILE 43 H ILE 43 11.024 6.433 -8.644 315 HA ILE 43 HA ILE 43 11.435 9.365 -8.705 316 HB ILE 43 HB ILE 43 13.384 9.134 -7.242 317 1HG1 ILE 43 HG12 ILE 43 12.434 6.296 -6.684 318 2HG1 ILE 43 HG13 ILE 43 13.896 6.740 -7.566 319 1HG2 ILE 43 HG21 ILE 43 11.071 9.772 -6.439 320 2HG2 ILE 43 HG22 ILE 43 10.914 8.116 -5.805 321 3HG2 ILE 43 HG23 ILE 43 12.181 9.204 -5.190 322 1HD1 ILE 43 HD11 ILE 43 14.789 7.834 -5.511 323 2HD1 ILE 43 HD12 ILE 43 13.350 7.300 -4.618 324 3HD1 ILE 43 HD13 ILE 43 14.464 6.108 -5.288 325 H VAL 44 H VAL 44 13.361 9.993 -9.700 326 HA VAL 44 HA VAL 44 14.203 8.125 -11.879 327 HB VAL 44 HB VAL 44 13.804 11.147 -11.727 328 1HG1 VAL 44 HG11 VAL 44 15.635 10.710 -13.281 329 2HG1 VAL 44 HG12 VAL 44 14.661 9.490 -14.121 330 3HG1 VAL 44 HG13 VAL 44 14.188 11.199 -14.161 331 1HG2 VAL 44 HG21 VAL 44 12.233 9.024 -13.237 332 2HG2 VAL 44 HG22 VAL 44 11.671 9.928 -11.818 333 3HG2 VAL 44 HG23 VAL 44 11.970 10.786 -13.327 334 H ARG 45 H ARG 45 16.328 7.568 -11.862 335 HA ARG 45 HA ARG 45 18.356 9.384 -10.618 336 1HB ARG 45 HB2 ARG 45 18.213 6.334 -10.374 337 2HB ARG 45 HB3 ARG 45 19.502 7.340 -9.760 338 1HG ARG 45 HG2 ARG 45 16.628 7.347 -8.723 339 2HG ARG 45 HG3 ARG 45 17.957 6.418 -8.080 340 1HD ARG 45 HD2 ARG 45 18.078 8.213 -6.645 341 2HD ARG 45 HD3 ARG 45 19.165 8.801 -7.899 342 HE ARG 45 HE ARG 45 17.190 9.985 -8.869 343 1HH1 ARG 45 HH21 ARG 45 17.214 9.438 -5.330 344 2HH1 ARG 45 HH22 ARG 45 15.755 10.353 -5.098 345 1HH2 ARG 45 HH11 ARG 45 15.323 11.090 -8.508 346 2HH2 ARG 45 HH12 ARG 45 14.712 11.342 -6.881 347 H GLY 46 H GLY 46 20.359 9.343 -11.750 348 1HA GLY 46 HA2 GLY 46 21.175 7.227 -13.423 349 2HA GLY 46 HA3 GLY 46 20.509 8.511 -14.451 350 H TYR 47 H TYR 47 23.372 7.429 -13.623 351 HA TYR 47 HA TYR 47 24.679 10.048 -13.597 352 1HB TYR 47 HB2 TYR 47 25.441 8.063 -11.435 353 2HB TYR 47 HB3 TYR 47 25.948 9.731 -11.599 354 HD1 TYR 47 HD1 TYR 47 23.304 7.441 -10.527 355 HD2 TYR 47 HD2 TYR 47 24.537 11.560 -10.674 356 HE1 TYR 47 HE1 TYR 47 21.586 8.001 -8.818 357 HE2 TYR 47 HE2 TYR 47 22.838 12.137 -8.965 358 HH TYR 47 HH TYR 47 21.183 11.332 -7.540 359 H LYS 48 H LYS 48 26.935 9.810 -14.206 360 HA LYS 48 HA LYS 48 27.435 7.672 -15.996 361 1HB LYS 48 HB2 LYS 48 28.392 10.003 -16.060 362 2HB LYS 48 HB3 LYS 48 29.483 9.550 -14.740 363 1HG LYS 48 HG2 LYS 48 30.508 7.817 -16.168 364 2HG LYS 48 HG3 LYS 48 29.341 8.165 -17.461 365 1HD LYS 48 HD2 LYS 48 30.220 10.488 -17.608 366 2HD LYS 48 HD3 LYS 48 31.418 10.124 -16.363 367 1HE LYS 48 HE2 LYS 48 31.181 8.704 -19.060 368 2HE LYS 48 HE3 LYS 48 32.282 10.040 -18.724 369 1HZ LYS 48 HZ1 LYS 48 33.374 8.650 -17.061 370 2HZ LYS 48 HZ2 LYS 48 32.375 7.395 -17.393 371 3HZ LYS 48 HZ3 LYS 48 33.411 7.938 -18.524 372 H TRP 49 H TRP 49 28.269 7.962 -12.531 373 HA TRP 49 HA TRP 49 30.170 5.845 -12.571 374 1HB TRP 49 HB2 TRP 49 29.746 5.732 -10.100 375 2HB TRP 49 HB3 TRP 49 30.320 7.244 -10.757 376 HD1 TRP 49 HD1 TRP 49 29.164 9.334 -9.978 377 HE1 TRP 49 HE1 TRP 49 27.092 9.923 -8.621 378 HE3 TRP 49 HE3 TRP 49 26.993 4.692 -9.758 379 HZ2 TRP 49 HZ2 TRP 49 24.771 8.544 -7.533 380 HZ3 TRP 49 HZ3 TRP 49 24.807 4.396 -8.682 381 HH2 TRP 49 HH2 TRP 49 23.669 6.316 -7.560 382 H ALA 50 H ALA 50 26.619 5.694 -12.653 383 HA ALA 50 HA ALA 50 26.676 2.824 -12.007 384 1HB ALA 50 HB1 ALA 50 24.409 4.665 -12.821 385 2HB ALA 50 HB2 ALA 50 24.287 2.911 -12.521 386 3HB ALA 50 HB3 ALA 50 24.776 3.986 -11.205 387 H GLU 51 H GLU 51 28.125 2.136 -13.626 388 HA GLU 51 HA GLU 51 27.647 2.522 -16.428 389 1HB GLU 51 HB2 GLU 51 29.190 0.347 -14.937 390 2HB GLU 51 HB3 GLU 51 29.252 0.621 -16.684 391 1HG GLU 51 HG2 GLU 51 30.082 2.944 -16.255 392 2HG GLU 51 HG3 GLU 51 30.134 2.578 -14.528 393 H TYR 52 H TYR 52 25.736 0.814 -14.215 394 HA TYR 52 HA TYR 52 24.330 -0.572 -16.347 395 1HB TYR 52 HB2 TYR 52 24.178 -2.618 -14.691 396 2HB TYR 52 HB3 TYR 52 25.417 -2.488 -15.920 397 HD1 TYR 52 HD1 TYR 52 27.721 -1.733 -15.334 398 HD2 TYR 52 HD2 TYR 52 24.803 -2.745 -12.347 399 HE1 TYR 52 HE1 TYR 52 29.551 -2.059 -13.678 400 HE2 TYR 52 HE2 TYR 52 26.603 -3.080 -10.674 401 HH TYR 52 HH TYR 52 30.081 -2.621 -11.476 402 H HIS 53 H HIS 53 22.112 -0.867 -15.781 403 HA HIS 53 HA HIS 53 21.015 1.117 -14.136 404 1HB HIS 53 HB2 HIS 53 19.524 -1.427 -14.842 405 2HB HIS 53 HB3 HIS 53 18.902 0.217 -14.719 406 HD1 HIS 53 HD1 HIS 53 19.713 -2.215 -17.294 407 HD2 HIS 53 HD2 HIS 53 20.270 1.923 -16.762 408 HE1 HIS 53 HE1 HIS 53 20.237 -1.251 -19.596 409 H ALA 54 H ALA 54 21.721 -2.296 -13.423 410 HA ALA 54 HA ALA 54 20.353 -2.502 -10.962 411 1HB ALA 54 HB1 ALA 54 21.857 -4.388 -10.507 412 2HB ALA 54 HB2 ALA 54 21.274 -4.439 -12.179 413 3HB ALA 54 HB3 ALA 54 22.929 -3.889 -11.826 414 H ASP 55 H ASP 55 23.393 -0.782 -11.683 415 HA ASP 55 HA ASP 55 24.390 -0.881 -8.982 416 1HB ASP 55 HB2 ASP 55 25.744 -0.287 -11.081 417 2HB ASP 55 HB3 ASP 55 24.961 1.270 -11.050 418 H ILE 56 H ILE 56 22.554 1.595 -10.842 419 HA ILE 56 HA ILE 56 22.293 3.358 -8.581 420 HB ILE 56 HB ILE 56 20.168 4.079 -10.148 421 1HG1 ILE 56 HG12 ILE 56 22.132 2.820 -12.085 422 2HG1 ILE 56 HG13 ILE 56 20.388 2.597 -11.947 423 1HG2 ILE 56 HG21 ILE 56 21.503 5.941 -10.817 424 2HG2 ILE 56 HG22 ILE 56 21.886 5.480 -9.165 425 3HG2 ILE 56 HG23 ILE 56 23.003 5.045 -10.475 426 1HD1 ILE 56 HD11 ILE 56 21.905 5.022 -12.980 427 2HD1 ILE 56 HD12 ILE 56 20.893 3.899 -13.894 428 3HD1 ILE 56 HD13 ILE 56 20.142 5.000 -12.711 429 H TYR 57 H TYR 57 20.195 0.735 -9.921 430 HA TYR 57 HA TYR 57 18.034 1.310 -8.148 431 1HB TYR 57 HB2 TYR 57 17.682 -0.247 -9.969 432 2HB TYR 57 HB3 TYR 57 18.936 -1.332 -9.365 433 HD1 TYR 57 HD1 TYR 57 15.897 0.420 -7.961 434 HD2 TYR 57 HD2 TYR 57 18.158 -3.240 -8.221 435 HE1 TYR 57 HE1 TYR 57 14.319 -0.636 -6.391 436 HE2 TYR 57 HE2 TYR 57 16.564 -4.335 -6.677 437 HH TYR 57 HH TYR 57 13.763 -2.644 -5.214 438 H ASP 58 H ASP 58 20.895 -0.947 -7.714 439 HA ASP 58 HA ASP 58 20.109 -1.813 -5.145 440 1HB ASP 58 HB2 ASP 58 21.816 -2.972 -6.434 441 2HB ASP 58 HB3 ASP 58 22.884 -1.564 -6.360 442 H LYS 59 H LYS 59 22.290 0.888 -6.087 443 HA LYS 59 HA LYS 59 23.003 1.745 -3.488 444 1HB LYS 59 HB2 LYS 59 24.184 2.455 -5.423 445 2HB LYS 59 HB3 LYS 59 22.755 3.180 -6.157 446 1HG LYS 59 HG2 LYS 59 22.887 5.105 -4.954 447 2HG LYS 59 HG3 LYS 59 23.517 4.309 -3.491 448 1HD LYS 59 HD2 LYS 59 25.721 4.108 -4.428 449 2HD LYS 59 HD3 LYS 59 25.167 4.664 -6.015 450 1HE LYS 59 HE2 LYS 59 24.540 6.871 -4.975 451 2HE LYS 59 HE3 LYS 59 25.220 6.308 -3.442 452 1HZ LYS 59 HZ1 LYS 59 26.806 7.639 -4.681 453 2HZ LYS 59 HZ2 LYS 59 27.373 6.117 -4.558 454 3HZ LYS 59 HZ3 LYS 59 26.730 6.641 -5.972 455 H VAL 60 H VAL 60 20.292 2.917 -5.592 456 HA VAL 60 HA VAL 60 19.512 4.741 -3.482 457 HB VAL 60 HB VAL 60 18.304 4.206 -6.202 458 1HG1 VAL 60 HG11 VAL 60 17.119 6.342 -5.850 459 2HG1 VAL 60 HG12 VAL 60 16.646 5.187 -4.610 460 3HG1 VAL 60 HG13 VAL 60 17.796 6.468 -4.203 461 1HG2 VAL 60 HG21 VAL 60 20.212 6.342 -5.086 462 2HG2 VAL 60 HG22 VAL 60 20.638 5.083 -6.263 463 3HG2 VAL 60 HG23 VAL 60 19.543 6.356 -6.718 464 H SER 61 H SER 61 18.255 1.561 -4.617 465 HA SER 61 HA SER 61 15.953 1.577 -2.929 466 1HB SER 61 HB2 SER 61 16.455 -0.069 -4.747 467 2HB SER 61 HB3 SER 61 17.705 -0.789 -3.713 468 HG SER 61 HG SER 61 15.641 -1.837 -3.614 469 H GLY 62 H GLY 62 19.444 0.806 -2.317 470 1HA GLY 62 HA2 GLY 62 19.228 0.010 0.378 471 2HA GLY 62 HA3 GLY 62 20.618 0.820 -0.372 472 H ASP 63 H ASP 63 19.676 3.349 -0.996 473 HA ASP 63 HA ASP 63 19.662 4.659 1.516 474 1HB ASP 63 HB2 ASP 63 20.446 5.694 -0.579 475 2HB ASP 63 HB3 ASP 63 18.783 5.790 -1.161 476 H MET 64 H MET 64 16.943 4.058 -0.793 477 HA MET 64 HA MET 64 14.921 5.285 0.769 478 1HB MET 64 HB2 MET 64 14.744 2.872 -1.074 479 2HB MET 64 HB3 MET 64 13.375 3.800 -0.479 480 1HG MET 64 HG2 MET 64 15.487 4.944 -2.313 481 2HG MET 64 HG3 MET 64 13.894 4.374 -2.772 482 1HE MET 64 HE1 MET 64 15.823 6.905 -0.464 483 2HE MET 64 HE2 MET 64 15.927 7.396 -2.174 484 3HE MET 64 HE3 MET 64 15.049 8.404 -1.000 485 H GLN 65 H GLN 65 16.113 1.863 0.848 486 HA GLN 65 HA GLN 65 14.298 1.025 2.867 487 1HB GLN 65 HB2 GLN 65 16.975 0.040 1.829 488 2HB GLN 65 HB3 GLN 65 16.156 -0.781 3.162 489 1HG GLN 65 HG2 GLN 65 14.227 -1.276 1.768 490 2HG GLN 65 HG3 GLN 65 14.871 -0.323 0.434 491 1HE2 GLN 65 HE22 GLN 65 15.947 -1.543 -1.156 492 2HE2 GLN 65 HE21 GLN 65 16.684 -3.096 -0.853 493 H LYS 66 H LYS 66 17.529 2.604 3.081 494 HA LYS 66 HA LYS 66 17.787 2.382 5.922 495 1HB LYS 66 HB2 LYS 66 19.658 2.916 4.518 496 2HB LYS 66 HB3 LYS 66 18.834 4.303 3.842 497 1HG LYS 66 HG2 LYS 66 18.928 5.407 6.133 498 2HG LYS 66 HG3 LYS 66 19.913 4.031 6.664 499 1HD LYS 66 HD2 LYS 66 21.414 5.813 6.034 500 2HD LYS 66 HD3 LYS 66 21.512 4.561 4.776 501 1HE LYS 66 HE2 LYS 66 19.890 5.889 3.384 502 2HE LYS 66 HE3 LYS 66 19.858 7.136 4.627 503 1HZ LYS 66 HZ1 LYS 66 22.336 6.329 3.226 504 2HZ LYS 66 HZ2 LYS 66 21.321 7.483 2.675 505 3HZ LYS 66 HZ3 LYS 66 22.094 7.682 4.124 506 H GLN 67 H GLN 67 16.094 4.846 3.834 507 HA GLN 67 HA GLN 67 15.151 6.433 6.042 508 1HB GLN 67 HB2 GLN 67 13.588 5.870 3.506 509 2HB GLN 67 HB3 GLN 67 13.379 7.200 4.625 510 1HG GLN 67 HG2 GLN 67 15.650 8.065 3.996 511 2HG GLN 67 HG3 GLN 67 15.769 6.795 2.777 512 1HE2 GLN 67 HE22 GLN 67 13.192 6.708 1.667 513 2HE2 GLN 67 HE21 GLN 67 12.907 8.229 0.862 514 H GLY 68 H GLY 68 13.928 3.499 4.492 515 1HA GLY 68 HA2 GLY 68 13.186 1.863 6.340 516 2HA GLY 68 HA3 GLY 68 11.904 3.039 6.637 517 H CYS 69 H CYS 69 12.483 3.179 3.347 518 HA CYS 69 HA CYS 69 9.853 2.271 2.758 519 1HB CYS 69 HB2 CYS 69 12.163 2.889 0.907 520 2HB CYS 69 HB3 CYS 69 10.458 2.948 0.484 521 HG CYS 69 HG CYS 69 11.173 5.373 0.580 522 H ASP 70 H ASP 70 9.608 1.010 0.599 523 HA ASP 70 HA ASP 70 11.397 -1.314 0.280 524 1HB ASP 70 HB2 ASP 70 9.433 -2.192 1.483 525 2HB ASP 70 HB3 ASP 70 8.351 -1.405 0.326 526 H CYS 71 H CYS 71 11.509 -1.843 -2.063 527 HA CYS 71 HA CYS 71 10.356 0.216 -3.851 528 1HB CYS 71 HB2 CYS 71 13.355 -0.236 -3.427 529 2HB CYS 71 HB3 CYS 71 12.620 0.826 -4.627 530 HG CYS 71 HG CYS 71 11.138 1.690 -2.206 531 H GLU 72 H GLU 72 10.946 -0.107 -6.169 532 HA GLU 72 HA GLU 72 12.144 -2.669 -6.958 533 1HB GLU 72 HB2 GLU 72 9.797 -3.256 -6.523 534 2HB GLU 72 HB3 GLU 72 9.247 -1.889 -7.514 535 1HG GLU 72 HG2 GLU 72 10.126 -2.870 -9.512 536 2HG GLU 72 HG3 GLU 72 11.003 -4.108 -8.606 537 H CYS 73 H CYS 73 13.335 -2.246 -8.825 538 HA CYS 73 HA CYS 73 13.054 0.242 -10.316 539 1HB CYS 73 HB2 CYS 73 14.666 -1.036 -11.888 540 2HB CYS 73 HB3 CYS 73 15.271 -0.564 -10.305 541 HG CYS 73 HG CYS 73 13.914 -3.449 -11.177 542 H LEU 74 H LEU 74 11.436 0.569 -11.715 543 HA LEU 74 HA LEU 74 9.704 -1.610 -12.590 544 1HB LEU 74 HB2 LEU 74 9.806 1.328 -13.406 545 2HB LEU 74 HB3 LEU 74 8.540 0.180 -13.825 546 HG LEU 74 HG LEU 74 9.191 1.261 -11.055 547 1HD1 LEU 74 HD11 LEU 74 7.900 2.732 -12.573 548 2HD1 LEU 74 HD12 LEU 74 6.695 1.448 -12.798 549 3HD1 LEU 74 HD13 LEU 74 6.924 2.180 -11.198 550 1HD2 LEU 74 HD21 LEU 74 7.194 -0.045 -10.267 551 2HD2 LEU 74 HD22 LEU 74 7.188 -0.912 -11.817 552 3HD2 LEU 74 HD23 LEU 74 8.566 -1.061 -10.699 553 H GLY 75 H GLY 75 12.508 0.105 -13.878 554 1HA GLY 75 HA2 GLY 75 13.179 -1.829 -15.747 555 2HA GLY 75 HA3 GLY 75 12.252 -0.616 -16.629 556 H GLY 76 H GLY 76 14.677 -0.649 -17.546 557 1HA GLY 76 HA2 GLY 76 16.078 1.682 -16.313 558 2HA GLY 76 HA3 GLY 76 16.989 0.232 -16.739 559 H GLY 77 H GLY 77 17.848 2.437 -17.913 560 1HA GLY 77 HA2 GLY 77 17.602 2.141 -20.702 561 2HA GLY 77 HA3 GLY 77 16.502 3.431 -20.180 562 H ARG 78 H ARG 78 17.882 4.939 -21.359 563 HA ARG 78 HA ARG 78 20.297 5.771 -19.893 564 1HB ARG 78 HB2 ARG 78 20.828 4.265 -21.883 565 2HB ARG 78 HB3 ARG 78 20.145 5.524 -22.924 566 1HG ARG 78 HG2 ARG 78 21.896 7.112 -21.988 567 2HG ARG 78 HG3 ARG 78 22.579 5.746 -21.095 568 1HD ARG 78 HD2 ARG 78 22.359 6.011 -24.119 569 2HD ARG 78 HD3 ARG 78 23.808 6.246 -23.150 570 HE ARG 78 HE ARG 78 23.968 3.952 -22.685 571 1HH1 ARG 78 HH21 ARG 78 21.408 4.629 -25.076 572 2HH1 ARG 78 HH22 ARG 78 21.207 2.948 -25.497 573 1HH2 ARG 78 HH11 ARG 78 23.682 1.733 -23.341 574 2HH2 ARG 78 HH12 ARG 78 22.415 1.320 -24.459 575 H ILE 79 H ILE 79 20.870 7.912 -20.197 576 HA ILE 79 HA ILE 79 18.744 9.775 -21.111 577 HB ILE 79 HB ILE 79 20.502 9.603 -18.640 578 1HG1 ILE 79 HG12 ILE 79 17.607 10.449 -19.178 579 2HG1 ILE 79 HG13 ILE 79 18.122 8.856 -18.640 580 1HG2 ILE 79 HG21 ILE 79 20.129 12.025 -18.159 581 2HG2 ILE 79 HG22 ILE 79 21.108 11.816 -19.596 582 3HG2 ILE 79 HG23 ILE 79 19.385 12.228 -19.756 583 1HD1 ILE 79 HD11 ILE 79 18.261 11.447 -17.055 584 2HD1 ILE 79 HD12 ILE 79 17.238 10.041 -16.754 585 3HD1 ILE 79 HD13 ILE 79 18.994 9.912 -16.523 586 H SER 80 H SER 80 19.448 11.027 -22.765 587 HA SER 80 HA SER 80 22.304 11.552 -23.191 588 1HB SER 80 HB2 SER 80 20.632 10.073 -25.279 589 2HB SER 80 HB3 SER 80 22.342 10.522 -25.404 590 HG SER 80 HG SER 80 22.200 9.151 -23.215 591 H HIS 81 H HIS 81 22.549 13.111 -25.083 592 HA HIS 81 HA HIS 81 20.338 15.029 -25.179 593 1HB HIS 81 HB2 HIS 81 22.926 14.861 -26.781 594 2HB HIS 81 HB3 HIS 81 21.791 16.208 -26.793 595 HD1 HIS 81 HD1 HIS 81 21.528 17.528 -24.308 596 HD2 HIS 81 HD2 HIS 81 24.814 14.966 -24.945 597 HE1 HIS 81 HE1 HIS 81 23.228 18.061 -22.483 598 H GLN 82 H GLN 82 18.857 15.252 -26.856 599 HA GLN 82 HA GLN 82 18.553 13.129 -28.815 600 1HB GLN 82 HB2 GLN 82 16.771 14.751 -27.656 601 2HB GLN 82 HB3 GLN 82 17.182 15.823 -28.991 602 1HG GLN 82 HG2 GLN 82 16.575 13.950 -30.590 603 2HG GLN 82 HG3 GLN 82 16.185 12.944 -29.197 604 1HE2 GLN 82 HE22 GLN 82 13.978 12.681 -29.854 605 2HE2 GLN 82 HE21 GLN 82 12.831 13.989 -29.706 606 H SER 83 H SER 83 20.508 15.917 -28.603 607 HA SER 83 HA SER 83 21.901 17.018 -29.916 608 1HB SER 83 HB2 SER 83 21.668 14.641 -31.785 609 2HB SER 83 HB3 SER 83 23.008 15.797 -31.687 610 HG SER 83 HG SER 83 23.420 13.871 -30.509 611 H GLN 84 H GLN 84 18.753 16.931 -30.814 612 HA GLN 84 HA GLN 84 18.986 18.229 -33.421 613 1HB GLN 84 HB2 GLN 84 16.605 18.266 -31.518 614 2HB GLN 84 HB3 GLN 84 16.612 18.593 -33.250 615 1HG GLN 84 HG2 GLN 84 17.012 15.924 -31.854 616 2HG GLN 84 HG3 GLN 84 15.680 16.401 -32.886 617 1HE2 GLN 84 HE22 GLN 84 18.655 14.736 -32.814 618 2HE2 GLN 84 HE21 GLN 84 18.918 14.630 -34.544 619 H ASP 85 H ASP 85 18.454 19.234 -30.020 620 HA ASP 85 HA ASP 85 19.648 21.861 -30.496 621 1HB ASP 85 HB2 ASP 85 17.279 22.172 -31.211 622 2HB ASP 85 HB3 ASP 85 16.733 21.598 -29.637 623 H LYS 86 H LYS 86 20.667 19.820 -29.047 624 HA LYS 86 HA LYS 86 21.542 19.152 -27.106 625 1HB LYS 86 HB2 LYS 86 22.109 21.567 -27.092 626 2HB LYS 86 HB3 LYS 86 20.729 21.890 -26.067 627 1HG LYS 86 HG2 LYS 86 22.421 19.796 -24.877 628 2HG LYS 86 HG3 LYS 86 23.386 21.175 -25.343 629 1HD LYS 86 HD2 LYS 86 22.674 21.419 -23.042 630 2HD LYS 86 HD3 LYS 86 21.970 22.695 -24.043 631 1HE LYS 86 HE2 LYS 86 19.819 21.404 -24.127 632 2HE LYS 86 HE3 LYS 86 20.535 20.170 -23.085 633 1HZ LYS 86 HZ1 LYS 86 20.101 23.006 -22.337 634 2HZ LYS 86 HZ2 LYS 86 19.198 21.740 -21.836 635 3HZ LYS 86 HZ3 LYS 86 20.760 21.868 -21.361 636 H LYS 87 H LYS 87 18.190 19.921 -26.972 637 HA LYS 87 HA LYS 87 17.276 19.367 -24.505 638 1HB LYS 87 HB2 LYS 87 16.032 19.830 -26.692 639 2HB LYS 87 HB3 LYS 87 16.093 18.089 -27.012 640 1HG LYS 87 HG2 LYS 87 14.880 17.710 -24.841 641 2HG LYS 87 HG3 LYS 87 14.784 19.466 -24.632 642 1HD LYS 87 HD2 LYS 87 13.539 17.881 -26.921 643 2HD LYS 87 HD3 LYS 87 12.684 18.490 -25.498 644 1HE LYS 87 HE2 LYS 87 13.367 20.835 -26.147 645 2HE LYS 87 HE3 LYS 87 14.073 20.176 -27.627 646 1HZ LYS 87 HZ1 LYS 87 11.893 20.969 -28.089 647 2HZ LYS 87 HZ2 LYS 87 11.815 19.345 -28.186 648 3HZ LYS 87 HZ3 LYS 87 11.199 20.137 -26.873 649 H ILE 88 H ILE 88 17.482 17.750 -23.010 650 HA ILE 88 HA ILE 88 18.731 15.234 -23.660 651 HB ILE 88 HB ILE 88 17.401 16.415 -21.222 652 1HG1 ILE 88 HG12 ILE 88 19.682 17.159 -21.814 653 2HG1 ILE 88 HG13 ILE 88 19.556 16.396 -20.239 654 1HG2 ILE 88 HG21 ILE 88 18.109 14.438 -19.884 655 2HG2 ILE 88 HG22 ILE 88 16.773 14.102 -20.983 656 3HG2 ILE 88 HG23 ILE 88 18.407 13.555 -21.402 657 1HD1 ILE 88 HD11 ILE 88 20.694 15.073 -22.739 658 2HD1 ILE 88 HD12 ILE 88 21.613 15.721 -21.380 659 3HD1 ILE 88 HD13 ILE 88 20.578 14.315 -21.132 660 H HIS 89 H HIS 89 17.836 13.152 -23.570 661 HA HIS 89 HA HIS 89 14.953 12.830 -24.102 662 1HB HIS 89 HB2 HIS 89 16.231 13.119 -26.233 663 2HB HIS 89 HB3 HIS 89 17.270 11.770 -25.783 664 HD1 HIS 89 HD1 HIS 89 13.710 12.532 -26.990 665 HD2 HIS 89 HD2 HIS 89 16.307 9.306 -26.216 666 HE1 HIS 89 HE1 HIS 89 12.630 10.447 -28.037 667 H VAL 90 H VAL 90 14.254 10.679 -23.530 668 HA VAL 90 HA VAL 90 16.187 9.078 -21.916 669 HB VAL 90 HB VAL 90 13.299 9.565 -21.129 670 1HG1 VAL 90 HG11 VAL 90 14.663 7.650 -20.163 671 2HG1 VAL 90 HG12 VAL 90 15.757 8.838 -19.464 672 3HG1 VAL 90 HG13 VAL 90 14.057 8.790 -18.949 673 1HG2 VAL 90 HG21 VAL 90 14.188 11.813 -21.087 674 2HG2 VAL 90 HG22 VAL 90 14.113 11.217 -19.430 675 3HG2 VAL 90 HG23 VAL 90 15.676 11.269 -20.277 676 H TYR 91 H TYR 91 16.221 6.958 -22.588 677 HA TYR 91 HA TYR 91 13.925 5.684 -23.874 678 1HB TYR 91 HB2 TYR 91 14.837 5.530 -26.034 679 2HB TYR 91 HB3 TYR 91 14.968 7.218 -25.634 680 HD1 TYR 91 HD1 TYR 91 16.603 4.647 -27.228 681 HD2 TYR 91 HD2 TYR 91 17.447 7.749 -24.341 682 HE1 TYR 91 HE1 TYR 91 19.012 4.497 -27.769 683 HE2 TYR 91 HE2 TYR 91 19.846 7.585 -24.860 684 HH TYR 91 HH TYR 91 21.144 5.377 -27.371 685 H GLY 92 H GLY 92 14.945 3.417 -24.844 686 1HA GLY 92 HA2 GLY 92 17.034 2.117 -24.734 687 2HA GLY 92 HA3 GLY 92 17.231 2.604 -23.068 688 H TYR 93 H TYR 93 17.461 0.385 -22.625 689 HA TYR 93 HA TYR 93 15.042 -1.100 -21.990 690 1HB TYR 93 HB2 TYR 93 15.435 -1.766 -24.310 691 2HB TYR 93 HB3 TYR 93 17.153 -1.987 -24.009 692 HD1 TYR 93 HD1 TYR 93 18.004 -4.111 -23.380 693 HD2 TYR 93 HD2 TYR 93 13.773 -3.320 -23.133 694 HE1 TYR 93 HE1 TYR 93 17.591 -6.503 -22.900 695 HE2 TYR 93 HE2 TYR 93 13.348 -5.711 -22.617 696 HH TYR 93 HH TYR 93 14.300 -7.819 -22.301 697 H SER 94 H SER 94 15.752 -3.026 -20.632 698 HA SER 94 HA SER 94 18.542 -2.988 -19.667 699 1HB SER 94 HB2 SER 94 17.257 -1.707 -17.989 700 2HB SER 94 HB3 SER 94 16.088 -3.034 -17.861 701 HG SER 94 HG SER 94 17.756 -3.092 -16.234 702 H MET 95 H MET 95 19.272 -5.064 -19.901 703 HA MET 95 HA MET 95 17.547 -7.260 -20.583 704 1HB MET 95 HB2 MET 95 20.004 -7.056 -21.135 705 2HB MET 95 HB3 MET 95 20.372 -7.302 -19.426 706 1HG MET 95 HG2 MET 95 20.659 -9.375 -20.656 707 2HG MET 95 HG3 MET 95 19.347 -9.535 -19.503 708 1HE MET 95 HE1 MET 95 18.910 -9.390 -24.126 709 2HE MET 95 HE2 MET 95 19.498 -7.983 -23.219 710 3HE MET 95 HE3 MET 95 20.449 -9.486 -23.240 711 H ALA 96 H ALA 96 18.639 -5.844 -17.518 712 HA ALA 96 HA ALA 96 17.983 -8.190 -15.931 713 1HB ALA 96 HB1 ALA 96 19.814 -6.650 -15.308 714 2HB ALA 96 HB2 ALA 96 18.642 -5.323 -15.115 715 3HB ALA 96 HB3 ALA 96 18.575 -6.732 -14.041 716 H TYR 97 H TYR 97 16.372 -5.069 -16.706 717 HA TYR 97 HA TYR 97 14.057 -5.925 -15.005 718 1HB TYR 97 HB2 TYR 97 15.095 -3.107 -15.361 719 2HB TYR 97 HB3 TYR 97 13.874 -3.658 -14.220 720 HD1 TYR 97 HD1 TYR 97 16.863 -2.241 -14.090 721 HD2 TYR 97 HD2 TYR 97 15.086 -5.995 -12.908 722 HE1 TYR 97 HE1 TYR 97 18.577 -2.503 -12.334 723 HE2 TYR 97 HE2 TYR 97 16.819 -6.283 -11.179 724 HH TYR 97 HH TYR 97 18.685 -5.368 -10.151 725 H GLY 98 H GLY 98 14.771 -5.271 -18.236 726 1HA GLY 98 HA2 GLY 98 13.349 -4.939 -20.009 727 2HA GLY 98 HA3 GLY 98 11.980 -4.729 -18.912 728 HA PRO 99 HA PRO 99 13.499 -0.570 -20.542 729 1HB PRO 99 HB2 PRO 99 11.346 0.192 -22.031 730 2HB PRO 99 HB3 PRO 99 12.621 -0.881 -22.681 731 1HG PRO 99 HG2 PRO 99 9.913 -1.661 -21.584 732 2HG PRO 99 HG3 PRO 99 10.732 -2.259 -23.058 733 1HD PRO 99 HD2 PRO 99 10.752 -3.577 -20.617 734 2HD PRO 99 HD3 PRO 99 12.055 -3.739 -21.821 735 H ALA 100 H ALA 100 13.089 1.239 -19.324 736 HA ALA 100 HA ALA 100 11.053 1.194 -17.239 737 1HB ALA 100 HB1 ALA 100 13.217 2.400 -16.962 738 2HB ALA 100 HB2 ALA 100 12.793 3.417 -18.355 739 3HB ALA 100 HB3 ALA 100 11.837 3.513 -16.859 740 H GLN 101 H GLN 101 9.391 2.857 -17.043 741 HA GLN 101 HA GLN 101 8.044 3.564 -19.578 742 1HB GLN 101 HB2 GLN 101 7.294 4.093 -16.668 743 2HB GLN 101 HB3 GLN 101 6.333 4.554 -18.080 744 1HG GLN 101 HG2 GLN 101 6.992 1.748 -17.150 745 2HG GLN 101 HG3 GLN 101 5.432 2.597 -17.046 746 1HE2 GLN 101 HE22 GLN 101 4.434 3.289 -19.225 747 2HE2 GLN 101 HE21 GLN 101 4.652 2.205 -20.574 748 H HIS 102 H HIS 102 9.996 4.798 -20.237 749 HA HIS 102 HA HIS 102 11.056 6.978 -18.892 750 1HB HIS 102 HB2 HIS 102 10.578 6.795 -21.870 751 2HB HIS 102 HB3 HIS 102 11.817 7.755 -21.070 752 HD1 HIS 102 HD1 HIS 102 11.527 4.521 -22.811 753 HD2 HIS 102 HD2 HIS 102 13.454 5.992 -19.383 754 HE1 HIS 102 HE1 HIS 102 13.194 2.726 -22.054 755 H ALA 103 H ALA 103 7.888 6.815 -20.394 756 HA ALA 103 HA ALA 103 7.139 9.491 -20.652 757 1HB ALA 103 HB1 ALA 103 4.859 8.624 -20.153 758 2HB ALA 103 HB2 ALA 103 5.729 7.587 -21.286 759 3HB ALA 103 HB3 ALA 103 5.566 7.088 -19.584 760 H ILE 104 H ILE 104 7.350 7.491 -17.668 761 HA ILE 104 HA ILE 104 6.074 9.353 -15.883 762 HB ILE 104 HB ILE 104 8.203 7.234 -15.336 763 1HG1 ILE 104 HG12 ILE 104 6.193 6.253 -16.452 764 2HG1 ILE 104 HG13 ILE 104 6.553 5.618 -14.860 765 1HG2 ILE 104 HG21 ILE 104 7.206 7.176 -13.029 766 2HG2 ILE 104 HG22 ILE 104 8.063 8.667 -13.432 767 3HG2 ILE 104 HG23 ILE 104 6.288 8.642 -13.444 768 1HD1 ILE 104 HD11 ILE 104 4.725 6.851 -13.867 769 2HD1 ILE 104 HD12 ILE 104 4.387 7.669 -15.421 770 3HD1 ILE 104 HD13 ILE 104 4.156 5.910 -15.256 771 H SER 105 H SER 105 9.460 8.643 -16.813 772 HA SER 105 HA SER 105 10.715 10.531 -15.172 773 1HB SER 105 HB2 SER 105 11.623 9.463 -17.882 774 2HB SER 105 HB3 SER 105 12.633 10.093 -16.589 775 HG SER 105 HG SER 105 11.637 8.368 -15.257 776 H THR 106 H THR 106 9.743 10.851 -18.667 777 HA THR 106 HA THR 106 10.688 13.489 -18.879 778 HB THR 106 HB THR 106 8.961 13.684 -20.772 779 HG1 THR 106 HG1 THR 106 7.526 12.035 -20.051 780 1HG2 THR 106 HG21 THR 106 11.322 13.042 -21.130 781 2HG2 THR 106 HG22 THR 106 10.923 11.350 -20.778 782 3HG2 THR 106 HG23 THR 106 10.220 12.163 -22.197 783 H GLU 107 H GLU 107 7.443 12.413 -17.665 784 HA GLU 107 HA GLU 107 6.426 15.073 -17.481 785 1HB GLU 107 HB2 GLU 107 5.738 12.493 -16.016 786 2HB GLU 107 HB3 GLU 107 4.916 14.026 -15.695 787 1HG GLU 107 HG2 GLU 107 4.298 14.204 -18.099 788 2HG GLU 107 HG3 GLU 107 5.035 12.635 -18.404 789 H LYS 108 H LYS 108 8.176 13.020 -15.086 790 HA LYS 108 HA LYS 108 8.075 14.961 -12.979 791 1HB LYS 108 HB2 LYS 108 9.951 12.620 -13.551 792 2HB LYS 108 HB3 LYS 108 10.030 13.599 -12.077 793 1HG LYS 108 HG2 LYS 108 7.801 13.013 -11.424 794 2HG LYS 108 HG3 LYS 108 7.511 12.136 -12.932 795 1HD LYS 108 HD2 LYS 108 9.167 10.468 -12.398 796 2HD LYS 108 HD3 LYS 108 9.727 11.361 -10.973 797 1HE LYS 108 HE2 LYS 108 6.830 10.488 -11.268 798 2HE LYS 108 HE3 LYS 108 8.052 9.379 -10.626 799 1HZ LYS 108 HZ1 LYS 108 6.737 10.969 -9.028 800 2HZ LYS 108 HZ2 LYS 108 8.311 10.588 -8.753 801 3HZ LYS 108 HZ3 LYS 108 7.966 12.020 -9.391 802 H ILE 109 H ILE 109 10.572 14.307 -15.466 803 HA ILE 109 HA ILE 109 12.433 16.251 -14.501 804 HB ILE 109 HB ILE 109 12.030 14.925 -17.203 805 1HG1 ILE 109 HG12 ILE 109 14.230 14.424 -15.136 806 2HG1 ILE 109 HG13 ILE 109 12.733 13.515 -15.138 807 1HG2 ILE 109 HG21 ILE 109 14.503 16.479 -16.311 808 2HG2 ILE 109 HG22 ILE 109 14.267 15.668 -17.849 809 3HG2 ILE 109 HG23 ILE 109 13.306 17.091 -17.478 810 1HD1 ILE 109 HD11 ILE 109 14.799 13.552 -17.374 811 2HD1 ILE 109 HD12 ILE 109 14.389 12.215 -16.298 812 3HD1 ILE 109 HD13 ILE 109 13.205 12.771 -17.496 813 H LYS 110 H LYS 110 9.809 16.473 -17.072 814 HA LYS 110 HA LYS 110 10.354 19.223 -17.595 815 1HB LYS 110 HB2 LYS 110 7.820 17.565 -17.921 816 2HB LYS 110 HB3 LYS 110 7.897 19.285 -18.312 817 1HG LYS 110 HG2 LYS 110 9.823 18.831 -19.864 818 2HG LYS 110 HG3 LYS 110 9.631 17.108 -19.560 819 1HD LYS 110 HD2 LYS 110 8.564 17.649 -21.648 820 2HD LYS 110 HD3 LYS 110 7.309 17.219 -20.483 821 1HE LYS 110 HE2 LYS 110 6.709 19.537 -20.133 822 2HE LYS 110 HE3 LYS 110 8.127 20.116 -21.015 823 1HZ LYS 110 HZ1 LYS 110 6.009 18.545 -22.349 824 2HZ LYS 110 HZ2 LYS 110 5.961 20.170 -22.233 825 3HZ LYS 110 HZ3 LYS 110 7.183 19.485 -23.050 826 H ALA 111 H ALA 111 8.363 17.733 -14.982 827 HA ALA 111 HA ALA 111 7.290 20.213 -14.072 828 1HB ALA 111 HB1 ALA 111 7.882 17.677 -12.488 829 2HB ALA 111 HB2 ALA 111 6.823 19.008 -11.986 830 3HB ALA 111 HB3 ALA 111 6.392 18.021 -13.394 831 H LYS 112 H LYS 112 10.363 18.515 -13.221 832 HA LYS 112 HA LYS 112 11.036 20.595 -11.253 833 1HB LYS 112 HB2 LYS 112 12.098 17.897 -12.007 834 2HB LYS 112 HB3 LYS 112 13.302 19.064 -11.486 835 1HG LYS 112 HG2 LYS 112 12.611 17.875 -9.542 836 2HG LYS 112 HG3 LYS 112 12.059 19.536 -9.427 837 1HD LYS 112 HD2 LYS 112 10.302 18.237 -8.581 838 2HD LYS 112 HD3 LYS 112 9.744 18.712 -10.188 839 1HE LYS 112 HE2 LYS 112 10.449 16.477 -11.067 840 2HE LYS 112 HE3 LYS 112 11.072 16.058 -9.470 841 1HZ LYS 112 HZ1 LYS 112 8.740 16.358 -8.647 842 2HZ LYS 112 HZ2 LYS 112 8.231 16.444 -10.198 843 3HZ LYS 112 HZ3 LYS 112 8.958 15.077 -9.625 844 H TYR 113 H TYR 113 11.557 20.209 -14.616 845 HA TYR 113 HA TYR 113 12.825 21.103 -16.148 846 1HB TYR 113 HB2 TYR 113 12.828 23.549 -14.361 847 2HB TYR 113 HB3 TYR 113 13.322 23.522 -16.044 848 HD1 TYR 113 HD1 TYR 113 11.701 22.972 -17.867 849 HD2 TYR 113 HD2 TYR 113 10.468 23.710 -13.796 850 HE1 TYR 113 HE1 TYR 113 9.408 23.446 -18.660 851 HE2 TYR 113 HE2 TYR 113 8.164 24.182 -14.576 852 HH TYR 113 HH TYR 113 7.234 24.041 -18.049 853 HA PRO 114 HA PRO 114 17.072 20.509 -14.109 854 1HB PRO 114 HB2 PRO 114 16.939 17.880 -15.554 855 2HB PRO 114 HB3 PRO 114 17.692 18.261 -13.976 856 1HG PRO 114 HG2 PRO 114 15.343 16.898 -14.120 857 2HG PRO 114 HG3 PRO 114 15.599 18.151 -12.863 858 1HD PRO 114 HD2 PRO 114 14.156 18.453 -15.519 859 2HD PRO 114 HD3 PRO 114 13.642 18.922 -13.879 860 H ASP 115 H ASP 115 15.306 20.047 -17.102 861 HA ASP 115 HA ASP 115 17.333 21.487 -18.626 862 1HB ASP 115 HB2 ASP 115 17.649 19.013 -19.137 863 2HB ASP 115 HB3 ASP 115 15.988 18.982 -19.730 864 H TYR 116 H TYR 116 16.153 22.387 -20.614 865 HA TYR 116 HA TYR 116 13.908 23.846 -19.674 866 1HB TYR 116 HB2 TYR 116 15.499 24.654 -21.369 867 2HB TYR 116 HB3 TYR 116 14.952 23.427 -22.504 868 HD1 TYR 116 HD1 TYR 116 13.904 26.494 -20.637 869 HD2 TYR 116 HD2 TYR 116 12.988 23.774 -23.863 870 HE1 TYR 116 HE1 TYR 116 12.157 28.052 -21.450 871 HE2 TYR 116 HE2 TYR 116 11.244 25.322 -24.683 872 HH TYR 116 HH TYR 116 10.150 27.354 -24.354 873 H GLU 117 H GLU 117 14.106 20.961 -21.745 874 HA GLU 117 HA GLU 117 11.465 20.116 -21.048 875 1HB GLU 117 HB2 GLU 117 10.875 21.580 -22.948 876 2HB GLU 117 HB3 GLU 117 12.102 20.813 -23.967 877 1HG GLU 117 HG2 GLU 117 10.859 18.740 -24.016 878 2HG GLU 117 HG3 GLU 117 9.788 19.290 -22.723 879 H VAL 118 H VAL 118 11.257 17.788 -22.021 880 HA VAL 118 HA VAL 118 13.695 16.655 -23.106 881 HB VAL 118 HB VAL 118 13.549 14.680 -21.548 882 1HG1 VAL 118 HG11 VAL 118 15.038 15.570 -19.954 883 2HG1 VAL 118 HG12 VAL 118 15.249 16.553 -21.412 884 3HG1 VAL 118 HG13 VAL 118 14.324 17.199 -20.053 885 1HG2 VAL 118 HG21 VAL 118 12.072 16.537 -19.631 886 2HG2 VAL 118 HG22 VAL 118 11.260 15.282 -20.578 887 3HG2 VAL 118 HG23 VAL 118 12.517 14.829 -19.415 888 H THR 119 H THR 119 13.223 14.373 -23.871 889 HA THR 119 HA THR 119 10.366 13.905 -24.525 890 HB THR 119 HB THR 119 11.233 13.258 -26.856 891 HG1 THR 119 HG1 THR 119 13.343 15.022 -26.152 892 1HG2 THR 119 HG21 THR 119 9.845 15.238 -26.510 893 2HG2 THR 119 HG22 THR 119 11.281 16.212 -26.125 894 3HG2 THR 119 HG23 THR 119 11.076 15.523 -27.752 895 H TRP 120 H TRP 120 10.245 11.564 -25.591 896 HA TRP 120 HA TRP 120 12.315 9.820 -24.506 897 1HB TRP 120 HB2 TRP 120 10.842 8.360 -23.346 898 2HB TRP 120 HB3 TRP 120 10.648 9.942 -22.654 899 HD1 TRP 120 HD1 TRP 120 8.352 11.246 -23.914 900 HE1 TRP 120 HE1 TRP 120 5.979 10.303 -23.955 901 HE3 TRP 120 HE3 TRP 120 9.454 6.254 -23.568 902 HZ2 TRP 120 HZ2 TRP 120 4.720 7.703 -24.027 903 HZ3 TRP 120 HZ3 TRP 120 7.638 4.586 -23.503 904 HH2 TRP 120 HH2 TRP 120 5.271 5.284 -23.777 905 H ALA 121 H ALA 121 11.852 7.505 -25.064 906 HA ALA 121 HA ALA 121 10.056 7.093 -27.308 907 1HB ALA 121 HB1 ALA 121 11.797 5.882 -28.635 908 2HB ALA 121 HB2 ALA 121 12.227 7.596 -28.430 909 3HB ALA 121 HB3 ALA 121 13.031 6.349 -27.447 910 H ASN 122 H ASN 122 9.324 4.950 -27.353 911 HA ASN 122 HA ASN 122 9.496 3.597 -24.765 912 1HB ASN 122 HB2 ASN 122 7.340 4.152 -25.970 913 2HB ASN 122 HB3 ASN 122 7.791 2.980 -27.208 914 1HD2 ASN 122 HD22 ASN 122 6.092 1.470 -26.816 915 2HD2 ASN 122 HD21 ASN 122 5.929 0.604 -25.312 916 H ASP 123 H ASP 123 11.886 3.422 -26.547 917 HA ASP 123 HA ASP 123 12.279 0.555 -26.656 918 1HB ASP 123 HB2 ASP 123 11.042 1.277 -28.869 919 2HB ASP 123 HB3 ASP 123 12.577 2.072 -29.257 920 H GLY 124 H GLY 124 14.514 0.301 -27.857 921 1HA GLY 124 HA2 GLY 124 16.532 1.711 -28.512 922 2HA GLY 124 HA3 GLY 124 16.441 2.370 -26.877 923 H TYR 125 H TYR 125 18.762 1.381 -27.202 924 HA TYR 125 HA TYR 125 18.909 -0.774 -25.345 925 1HB TYR 125 HB2 TYR 125 20.423 -2.191 -26.638 926 2HB TYR 125 HB3 TYR 125 18.830 -2.168 -27.360 927 HD1 TYR 125 HD1 TYR 125 18.443 -1.120 -29.565 928 HD2 TYR 125 HD2 TYR 125 22.365 -1.167 -27.767 929 HE1 TYR 125 HE1 TYR 125 19.447 -0.517 -31.750 930 HE2 TYR 125 HE2 TYR 125 23.379 -0.568 -29.942 931 HH TYR 125 HH TYR 125 22.992 -0.085 -32.190 Start of MODEL 17 1 1H MET 1 H1 MET 1 9.946 11.711 17.545 2 2H MET 1 H2 MET 1 10.959 12.991 17.713 3 3H MET 1 H3 MET 1 9.382 13.230 17.346 4 HA MET 1 HA MET 1 10.714 13.564 15.401 5 1HB MET 1 HB2 MET 1 12.580 12.102 16.057 6 2HB MET 1 HB3 MET 1 11.571 10.666 15.844 7 1HG MET 1 HG2 MET 1 11.328 11.170 13.451 8 2HG MET 1 HG3 MET 1 12.277 12.645 13.633 9 1HE MET 1 HE1 MET 1 14.845 12.765 13.762 10 2HE MET 1 HE2 MET 1 14.813 11.938 15.338 11 3HE MET 1 HE3 MET 1 15.910 11.376 14.061 12 H ALA 2 H ALA 2 9.041 13.820 14.017 13 HA ALA 2 HA ALA 2 6.799 12.000 13.833 14 1HB ALA 2 HB1 ALA 2 6.609 14.421 13.324 15 2HB ALA 2 HB2 ALA 2 7.740 14.224 11.960 16 3HB ALA 2 HB3 ALA 2 6.153 13.431 11.925 17 H VAL 3 H VAL 3 6.250 10.703 11.889 18 HA VAL 3 HA VAL 3 8.495 9.278 10.816 19 HB VAL 3 HB VAL 3 6.777 8.114 9.497 20 1HG1 VAL 3 HG11 VAL 3 7.382 7.371 11.763 21 2HG1 VAL 3 HG12 VAL 3 6.103 8.392 12.457 22 3HG1 VAL 3 HG13 VAL 3 5.685 7.031 11.415 23 1HG2 VAL 3 HG21 VAL 3 5.130 9.903 9.111 24 2HG2 VAL 3 HG22 VAL 3 4.386 8.488 9.855 25 3HG2 VAL 3 HG23 VAL 3 4.721 9.920 10.844 26 H ALA 4 H ALA 4 9.126 9.200 8.586 27 HA ALA 4 HA ALA 4 8.961 11.764 7.138 28 1HB ALA 4 HB1 ALA 4 10.491 10.470 5.529 29 2HB ALA 4 HB2 ALA 4 11.136 10.768 7.150 30 3HB ALA 4 HB3 ALA 4 10.520 9.171 6.740 31 H ASP 5 H ASP 5 8.547 11.276 4.584 32 HA ASP 5 HA ASP 5 6.302 9.425 4.157 33 1HB ASP 5 HB2 ASP 5 5.207 11.444 5.078 34 2HB ASP 5 HB3 ASP 5 6.048 12.455 3.899 35 H LEU 6 H LEU 6 5.875 9.184 1.839 36 HA LEU 6 HA LEU 6 8.212 9.114 0.282 37 1HB LEU 6 HB2 LEU 6 5.276 9.027 -0.543 38 2HB LEU 6 HB3 LEU 6 6.619 8.679 -1.601 39 HG LEU 6 HG LEU 6 5.711 7.053 0.778 40 1HD1 LEU 6 HD11 LEU 6 5.365 5.310 -0.915 41 2HD1 LEU 6 HD12 LEU 6 4.511 6.768 -1.419 42 3HD1 LEU 6 HD13 LEU 6 6.069 6.315 -2.168 43 1HD2 LEU 6 HD21 LEU 6 7.533 5.447 0.223 44 2HD2 LEU 6 HD22 LEU 6 8.210 6.624 -0.911 45 3HD2 LEU 6 HD23 LEU 6 8.158 6.971 0.838 46 H ALA 7 H ALA 7 5.863 11.778 0.607 47 HA ALA 7 HA ALA 7 6.571 13.123 -1.786 48 1HB ALA 7 HB1 ALA 7 5.579 14.266 0.860 49 2HB ALA 7 HB2 ALA 7 5.544 15.086 -0.714 50 3HB ALA 7 HB3 ALA 7 4.553 13.639 -0.456 51 H LEU 8 H LEU 8 8.349 12.746 1.219 52 HA LEU 8 HA LEU 8 9.893 15.212 0.961 53 1HB LEU 8 HB2 LEU 8 10.432 12.741 2.656 54 2HB LEU 8 HB3 LEU 8 11.207 14.310 2.821 55 HG LEU 8 HG LEU 8 8.278 13.685 3.380 56 1HD1 LEU 8 HD11 LEU 8 8.859 14.118 5.703 57 2HD1 LEU 8 HD12 LEU 8 9.937 12.867 5.055 58 3HD1 LEU 8 HD13 LEU 8 10.530 14.525 5.251 59 1HD2 LEU 8 HD21 LEU 8 8.403 15.972 2.521 60 2HD2 LEU 8 HD22 LEU 8 8.144 16.009 4.266 61 3HD2 LEU 8 HD23 LEU 8 9.763 16.340 3.607 62 H ILE 9 H ILE 9 10.063 12.061 -0.477 63 HA ILE 9 HA ILE 9 12.877 11.720 -0.585 64 HB ILE 9 HB ILE 9 10.637 10.620 -2.333 65 1HG1 ILE 9 HG12 ILE 9 12.105 9.436 0.077 66 2HG1 ILE 9 HG13 ILE 9 10.464 10.082 0.115 67 1HG2 ILE 9 HG21 ILE 9 12.172 8.858 -3.034 68 2HG2 ILE 9 HG22 ILE 9 12.862 10.408 -3.467 69 3HG2 ILE 9 HG23 ILE 9 13.469 9.540 -2.040 70 1HD1 ILE 9 HD11 ILE 9 10.336 7.702 0.034 71 2HD1 ILE 9 HD12 ILE 9 9.758 8.343 -1.526 72 3HD1 ILE 9 HD13 ILE 9 11.377 7.619 -1.387 73 HA PRO 10 HA PRO 10 13.731 14.672 -3.976 74 1HB PRO 10 HB2 PRO 10 16.107 13.626 -4.924 75 2HB PRO 10 HB3 PRO 10 15.962 14.656 -3.468 76 1HG PRO 10 HG2 PRO 10 16.118 11.637 -3.610 77 2HG PRO 10 HG3 PRO 10 16.981 12.745 -2.500 78 1HD PRO 10 HD2 PRO 10 14.737 11.408 -1.751 79 2HD PRO 10 HD3 PRO 10 15.049 13.072 -1.183 80 H ASP 11 H ASP 11 12.297 14.410 -5.578 81 HA ASP 11 HA ASP 11 11.517 11.882 -6.567 82 1HB ASP 11 HB2 ASP 11 10.174 14.035 -6.255 83 2HB ASP 11 HB3 ASP 11 10.854 14.580 -7.789 84 H VAL 12 H VAL 12 13.673 14.337 -7.952 85 HA VAL 12 HA VAL 12 14.394 12.498 -10.175 86 HB VAL 12 HB VAL 12 13.796 15.481 -10.434 87 1HG1 VAL 12 HG11 VAL 12 15.716 14.852 -11.863 88 2HG1 VAL 12 HG12 VAL 12 14.790 13.486 -12.532 89 3HG1 VAL 12 HG13 VAL 12 14.286 15.162 -12.841 90 1HG2 VAL 12 HG21 VAL 12 11.730 14.122 -10.446 91 2HG2 VAL 12 HG22 VAL 12 12.071 14.798 -12.042 92 3HG2 VAL 12 HG23 VAL 12 12.412 13.084 -11.710 93 H ASP 13 H ASP 13 16.609 12.331 -10.331 94 HA ASP 13 HA ASP 13 18.320 14.564 -9.757 95 1HB ASP 13 HB2 ASP 13 18.090 13.594 -7.429 96 2HB ASP 13 HB3 ASP 13 18.676 12.063 -8.043 97 H ILE 14 H ILE 14 19.503 14.416 -11.628 98 HA ILE 14 HA ILE 14 20.490 11.816 -12.563 99 HB ILE 14 HB ILE 14 19.617 12.222 -14.845 100 1HG1 ILE 14 HG12 ILE 14 17.713 14.294 -13.666 101 2HG1 ILE 14 HG13 ILE 14 19.183 14.719 -14.549 102 1HG2 ILE 14 HG21 ILE 14 17.311 11.984 -12.887 103 2HG2 ILE 14 HG22 ILE 14 17.450 11.294 -14.521 104 3HG2 ILE 14 HG23 ILE 14 18.478 10.693 -13.224 105 1HD1 ILE 14 HD11 ILE 14 16.828 13.160 -15.671 106 2HD1 ILE 14 HD12 ILE 14 17.285 14.830 -16.042 107 3HD1 ILE 14 HD13 ILE 14 18.344 13.497 -16.543 108 H ASP 15 H ASP 15 21.865 12.140 -14.542 109 HA ASP 15 HA ASP 15 23.021 14.841 -14.899 110 1HB ASP 15 HB2 ASP 15 24.478 13.329 -13.393 111 2HB ASP 15 HB3 ASP 15 24.737 12.333 -14.825 112 H SER 16 H SER 16 24.034 14.923 -17.091 113 HA SER 16 HA SER 16 23.261 12.926 -19.073 114 1HB SER 16 HB2 SER 16 21.999 15.694 -19.238 115 2HB SER 16 HB3 SER 16 21.741 14.322 -20.332 116 HG SER 16 HG SER 16 21.193 13.432 -17.952 117 H ASP 17 H ASP 17 25.596 14.807 -17.942 118 HA ASP 17 HA ASP 17 26.516 16.449 -20.025 119 1HB ASP 17 HB2 ASP 17 27.450 16.427 -17.768 120 2HB ASP 17 HB3 ASP 17 28.057 14.786 -18.003 121 H GLY 18 H GLY 18 26.382 12.969 -19.931 122 1HA GLY 18 HA2 GLY 18 27.285 12.799 -22.688 123 2HA GLY 18 HA3 GLY 18 28.223 11.839 -21.521 124 H VAL 19 H VAL 19 27.090 10.218 -23.165 125 HA VAL 19 HA VAL 19 24.338 9.500 -22.632 126 HB VAL 19 HB VAL 19 26.597 7.836 -23.833 127 1HG1 VAL 19 HG11 VAL 19 24.775 6.568 -24.905 128 2HG1 VAL 19 HG12 VAL 19 24.657 6.476 -23.144 129 3HG1 VAL 19 HG13 VAL 19 23.567 7.552 -24.044 130 1HG2 VAL 19 HG21 VAL 19 25.638 8.498 -26.042 131 2HG2 VAL 19 HG22 VAL 19 24.605 9.679 -25.212 132 3HG2 VAL 19 HG23 VAL 19 26.370 9.851 -25.182 133 H PHE 20 H PHE 20 23.700 8.669 -20.667 134 HA PHE 20 HA PHE 20 25.543 6.865 -19.167 135 1HB PHE 20 HB2 PHE 20 23.839 9.018 -17.868 136 2HB PHE 20 HB3 PHE 20 24.961 7.925 -17.076 137 HD1 PHE 20 HD1 PHE 20 24.627 11.133 -17.251 138 HD2 PHE 20 HD2 PHE 20 27.437 8.249 -18.793 139 HE1 PHE 20 HE1 PHE 20 26.402 12.866 -17.296 140 HE2 PHE 20 HE2 PHE 20 29.169 10.006 -18.924 141 HZ PHE 20 HZ PHE 20 28.666 12.318 -18.157 142 H LYS 21 H LYS 21 24.308 5.517 -17.560 143 HA LYS 21 HA LYS 21 21.761 4.695 -18.794 144 1HB LYS 21 HB2 LYS 21 23.103 3.578 -16.283 145 2HB LYS 21 HB3 LYS 21 21.796 2.851 -17.189 146 1HG LYS 21 HG2 LYS 21 24.709 3.042 -17.941 147 2HG LYS 21 HG3 LYS 21 23.695 1.608 -17.725 148 1HD LYS 21 HD2 LYS 21 22.372 2.412 -19.782 149 2HD LYS 21 HD3 LYS 21 23.680 3.567 -20.055 150 1HE LYS 21 HE2 LYS 21 23.824 0.528 -20.064 151 2HE LYS 21 HE3 LYS 21 24.039 1.622 -21.432 152 1HZ LYS 21 HZ1 LYS 21 26.076 2.444 -20.304 153 2HZ LYS 21 HZ2 LYS 21 25.899 1.280 -19.144 154 3HZ LYS 21 HZ3 LYS 21 26.163 0.869 -20.700 155 H TYR 22 H TYR 22 19.865 4.300 -17.438 156 HA TYR 22 HA TYR 22 19.648 5.870 -14.983 157 1HB TYR 22 HB2 TYR 22 18.500 7.543 -15.863 158 2HB TYR 22 HB3 TYR 22 18.709 6.894 -17.469 159 HD1 TYR 22 HD1 TYR 22 17.051 4.963 -18.147 160 HD2 TYR 22 HD2 TYR 22 16.309 7.806 -15.001 161 HE1 TYR 22 HE1 TYR 22 14.638 4.462 -18.276 162 HE2 TYR 22 HE2 TYR 22 13.871 7.366 -15.183 163 HH TYR 22 HH TYR 22 12.203 6.372 -16.443 164 H VAL 23 H VAL 23 17.484 5.352 -13.931 165 HA VAL 23 HA VAL 23 16.206 2.897 -14.791 166 HB VAL 23 HB VAL 23 18.206 2.220 -13.368 167 1HG1 VAL 23 HG11 VAL 23 16.563 3.317 -11.064 168 2HG1 VAL 23 HG12 VAL 23 18.072 2.403 -10.951 169 3HG1 VAL 23 HG13 VAL 23 18.065 4.028 -11.672 170 1HG2 VAL 23 HG21 VAL 23 17.042 0.484 -12.155 171 2HG2 VAL 23 HG22 VAL 23 15.497 1.347 -12.309 172 3HG2 VAL 23 HG23 VAL 23 16.322 0.703 -13.749 173 H LEU 24 H LEU 24 14.138 2.633 -13.688 174 HA LEU 24 HA LEU 24 13.110 5.141 -12.432 175 1HB LEU 24 HB2 LEU 24 12.292 4.658 -14.759 176 2HB LEU 24 HB3 LEU 24 11.673 3.112 -14.201 177 HG LEU 24 HG LEU 24 10.123 4.378 -12.624 178 1HD1 LEU 24 HD11 LEU 24 11.401 6.511 -12.468 179 2HD1 LEU 24 HD12 LEU 24 11.106 6.806 -14.197 180 3HD1 LEU 24 HD13 LEU 24 9.759 6.771 -13.037 181 1HD2 LEU 24 HD21 LEU 24 8.585 5.088 -14.404 182 2HD2 LEU 24 HD22 LEU 24 9.914 5.062 -15.588 183 3HD2 LEU 24 HD23 LEU 24 9.363 3.554 -14.813 184 H ILE 25 H ILE 25 12.678 4.666 -10.257 185 HA ILE 25 HA ILE 25 11.985 1.850 -9.624 186 HB ILE 25 HB ILE 25 14.019 1.648 -9.017 187 1HG1 ILE 25 HG12 ILE 25 12.611 1.399 -6.958 188 2HG1 ILE 25 HG13 ILE 25 14.352 1.463 -6.774 189 1HG2 ILE 25 HG21 ILE 25 15.668 3.185 -8.095 190 2HG2 ILE 25 HG22 ILE 25 15.004 3.788 -9.623 191 3HG2 ILE 25 HG23 ILE 25 14.466 4.499 -8.100 192 1HD1 ILE 25 HD11 ILE 25 14.335 3.690 -5.913 193 2HD1 ILE 25 HD12 ILE 25 12.583 3.842 -6.202 194 3HD1 ILE 25 HD13 ILE 25 13.209 2.693 -5.013 195 H ARG 26 H ARG 26 10.396 1.463 -8.405 196 HA ARG 26 HA ARG 26 8.651 3.632 -7.476 197 1HB ARG 26 HB2 ARG 26 7.730 1.679 -8.637 198 2HB ARG 26 HB3 ARG 26 8.436 0.583 -7.453 199 1HG ARG 26 HG2 ARG 26 6.966 1.290 -5.722 200 2HG ARG 26 HG3 ARG 26 6.473 2.748 -6.596 201 1HD ARG 26 HD2 ARG 26 5.885 -0.057 -7.619 202 2HD ARG 26 HD3 ARG 26 4.782 0.842 -6.554 203 HE ARG 26 HE ARG 26 5.294 2.655 -8.547 204 1HH1 ARG 26 HH21 ARG 26 3.989 -0.668 -8.660 205 2HH1 ARG 26 HH22 ARG 26 3.043 -0.353 -10.066 206 1HH2 ARG 26 HH11 ARG 26 4.132 3.055 -10.239 207 2HH2 ARG 26 HH12 ARG 26 3.108 1.873 -11.039 208 H VAL 27 H VAL 27 8.190 3.967 -5.302 209 HA VAL 27 HA VAL 27 9.733 2.468 -3.258 210 HB VAL 27 HB VAL 27 9.063 5.445 -3.145 211 1HG1 VAL 27 HG11 VAL 27 11.006 3.689 -1.584 212 2HG1 VAL 27 HG12 VAL 27 10.774 5.426 -1.345 213 3HG1 VAL 27 HG13 VAL 27 9.450 4.316 -0.985 214 1HG2 VAL 27 HG21 VAL 27 10.675 5.230 -4.997 215 2HG2 VAL 27 HG22 VAL 27 11.444 5.945 -3.585 216 3HG2 VAL 27 HG23 VAL 27 11.731 4.236 -3.962 217 H HIS 28 H HIS 28 8.436 1.882 -1.522 218 HA HIS 28 HA HIS 28 5.493 2.439 -1.686 219 1HB HIS 28 HB2 HIS 28 7.028 0.194 -0.323 220 2HB HIS 28 HB3 HIS 28 5.278 0.341 -0.472 221 HD1 HIS 28 HD1 HIS 28 4.513 0.446 -3.313 222 HD2 HIS 28 HD2 HIS 28 8.128 -1.344 -2.109 223 HE1 HIS 28 HE1 HIS 28 5.184 -1.161 -5.177 224 H SER 29 H SER 29 4.420 3.105 0.176 225 HA SER 29 HA SER 29 5.868 4.838 1.865 226 1HB SER 29 HB2 SER 29 3.026 3.857 2.133 227 2HB SER 29 HB3 SER 29 3.723 5.232 2.997 228 HG SER 29 HG SER 29 3.370 4.929 0.192 229 H ALA 30 H ALA 30 7.455 3.584 2.887 230 HA ALA 30 HA ALA 30 6.512 2.786 5.554 231 1HB ALA 30 HB1 ALA 30 6.863 0.679 4.341 232 2HB ALA 30 HB2 ALA 30 8.530 1.149 3.966 233 3HB ALA 30 HB3 ALA 30 8.041 0.870 5.646 234 HA PRO 31 HA PRO 31 10.648 5.383 5.513 235 1HB PRO 31 HB2 PRO 31 8.793 7.724 5.744 236 2HB PRO 31 HB3 PRO 31 10.479 7.663 5.120 237 1HG PRO 31 HG2 PRO 31 8.318 7.803 3.458 238 2HG PRO 31 HG3 PRO 31 9.784 6.885 3.045 239 1HD PRO 31 HD2 PRO 31 7.126 5.879 4.013 240 2HD PRO 31 HD3 PRO 31 8.318 5.114 2.919 241 H ARG 32 H ARG 32 11.394 5.859 7.517 242 HA ARG 32 HA ARG 32 11.617 5.310 9.664 243 1HB ARG 32 HB2 ARG 32 9.486 7.457 9.882 244 2HB ARG 32 HB3 ARG 32 10.447 6.868 11.248 245 1HG ARG 32 HG2 ARG 32 12.542 7.469 10.042 246 2HG ARG 32 HG3 ARG 32 11.579 8.171 8.736 247 1HD ARG 32 HD2 ARG 32 10.620 9.808 10.341 248 2HD ARG 32 HD3 ARG 32 11.609 9.114 11.637 249 HE ARG 32 HE ARG 32 13.518 9.665 9.869 250 1HH1 ARG 32 HH22 ARG 32 10.849 11.780 10.971 251 2HH1 ARG 32 HH21 ARG 32 11.686 13.232 10.553 252 1HH2 ARG 32 HH11 ARG 32 14.612 11.608 9.394 253 2HH2 ARG 32 HH12 ARG 32 13.876 13.132 9.697 254 H SER 33 H SER 33 9.883 3.487 8.276 255 HA SER 33 HA SER 33 8.594 1.724 8.611 256 1HB SER 33 HB2 SER 33 9.646 1.848 11.459 257 2HB SER 33 HB3 SER 33 9.104 0.411 10.574 258 HG SER 33 HG SER 33 11.388 0.637 10.572 259 H GLY 34 H GLY 34 7.190 4.334 9.072 260 1HA GLY 34 HA2 GLY 34 4.781 3.242 10.353 261 2HA GLY 34 HA3 GLY 34 5.622 4.493 11.279 262 H ALA 35 H ALA 35 5.715 4.767 7.768 263 HA ALA 35 HA ALA 35 4.475 7.274 7.666 264 1HB ALA 35 HB1 ALA 35 5.887 6.409 5.890 265 2HB ALA 35 HB2 ALA 35 4.304 6.853 5.228 266 3HB ALA 35 HB3 ALA 35 4.690 5.140 5.505 267 HA PRO 36 HA PRO 36 0.310 6.387 8.451 268 1HB PRO 36 HB2 PRO 36 -1.045 8.535 7.415 269 2HB PRO 36 HB3 PRO 36 0.151 8.673 8.735 270 1HG PRO 36 HG2 PRO 36 0.623 9.085 5.761 271 2HG PRO 36 HG3 PRO 36 1.032 10.201 7.107 272 1HD PRO 36 HD2 PRO 36 2.875 8.495 6.088 273 2HD PRO 36 HD3 PRO 36 2.793 8.809 7.847 274 H ALA 37 H ALA 37 1.249 5.545 5.407 275 HA ALA 37 HA ALA 37 -1.396 4.593 4.587 276 1HB ALA 37 HB1 ALA 37 0.213 6.533 2.855 277 2HB ALA 37 HB2 ALA 37 -1.338 5.763 2.432 278 3HB ALA 37 HB3 ALA 37 -1.269 6.955 3.739 279 H ALA 38 H ALA 38 -0.990 3.586 2.230 280 HA ALA 38 HA ALA 38 1.698 2.362 1.987 281 1HB ALA 38 HB1 ALA 38 -0.902 0.838 1.649 282 2HB ALA 38 HB2 ALA 38 0.753 0.233 1.383 283 3HB ALA 38 HB3 ALA 38 0.229 0.672 3.021 284 H GLU 39 H GLU 39 0.851 4.717 0.805 285 HA GLU 39 HA GLU 39 0.086 4.185 -1.944 286 1HB GLU 39 HB2 GLU 39 1.370 6.609 -0.597 287 2HB GLU 39 HB3 GLU 39 0.863 6.568 -2.283 288 1HG GLU 39 HG2 GLU 39 -0.977 6.271 0.127 289 2HG GLU 39 HG3 GLU 39 -0.773 7.716 -0.849 290 H SER 40 H SER 40 1.653 4.808 -3.734 291 HA SER 40 HA SER 40 4.472 4.366 -3.098 292 1HB SER 40 HB2 SER 40 3.187 2.864 -5.393 293 2HB SER 40 HB3 SER 40 4.818 2.681 -4.752 294 HG SER 40 HG SER 40 2.402 2.010 -3.406 295 H LYS 41 H LYS 41 5.843 5.127 -4.842 296 HA LYS 41 HA LYS 41 4.726 6.502 -7.119 297 1HB LYS 41 HB2 LYS 41 5.742 8.744 -6.585 298 2HB LYS 41 HB3 LYS 41 4.294 8.321 -5.712 299 1HG LYS 41 HG2 LYS 41 5.712 9.456 -4.201 300 2HG LYS 41 HG3 LYS 41 5.588 7.797 -3.695 301 1HD LYS 41 HD2 LYS 41 7.878 8.593 -3.379 302 2HD LYS 41 HD3 LYS 41 7.868 7.338 -4.590 303 1HE LYS 41 HE2 LYS 41 9.330 9.118 -5.298 304 2HE LYS 41 HE3 LYS 41 7.945 9.088 -6.380 305 1HZ LYS 41 HZ1 LYS 41 8.398 11.017 -4.166 306 2HZ LYS 41 HZ2 LYS 41 8.471 11.307 -5.792 307 3HZ LYS 41 HZ3 LYS 41 7.038 10.977 -5.089 308 H GLU 42 H GLU 42 6.602 7.489 -8.441 309 HA GLU 42 HA GLU 42 8.869 5.563 -8.245 310 1HB GLU 42 HB2 GLU 42 7.750 7.103 -10.627 311 2HB GLU 42 HB3 GLU 42 9.153 6.044 -10.657 312 1HG GLU 42 HG2 GLU 42 7.364 4.823 -11.577 313 2HG GLU 42 HG3 GLU 42 7.737 4.122 -9.999 314 H ILE 43 H ILE 43 11.002 6.330 -8.749 315 HA ILE 43 HA ILE 43 11.354 9.269 -8.889 316 HB ILE 43 HB ILE 43 13.344 9.109 -7.476 317 1HG1 ILE 43 HG12 ILE 43 12.488 6.249 -6.878 318 2HG1 ILE 43 HG13 ILE 43 13.939 6.749 -7.754 319 1HG2 ILE 43 HG21 ILE 43 12.206 9.228 -5.413 320 2HG2 ILE 43 HG22 ILE 43 11.007 9.678 -6.629 321 3HG2 ILE 43 HG23 ILE 43 10.978 8.042 -5.920 322 1HD1 ILE 43 HD11 ILE 43 13.347 7.273 -4.810 323 2HD1 ILE 43 HD12 ILE 43 14.509 6.128 -5.477 324 3HD1 ILE 43 HD13 ILE 43 14.775 7.868 -5.686 325 H VAL 44 H VAL 44 13.227 9.909 -9.958 326 HA VAL 44 HA VAL 44 14.027 8.014 -12.126 327 HB VAL 44 HB VAL 44 13.645 11.041 -11.987 328 1HG1 VAL 44 HG11 VAL 44 13.952 11.114 -14.408 329 2HG1 VAL 44 HG12 VAL 44 15.410 10.504 -13.623 330 3HG1 VAL 44 HG13 VAL 44 14.316 9.381 -14.446 331 1HG2 VAL 44 HG21 VAL 44 11.505 9.737 -12.002 332 2HG2 VAL 44 HG22 VAL 44 11.728 10.742 -13.430 333 3HG2 VAL 44 HG23 VAL 44 12.009 8.990 -13.533 334 H ARG 45 H ARG 45 16.156 7.427 -12.090 335 HA ARG 45 HA ARG 45 18.205 9.234 -10.868 336 1HB ARG 45 HB2 ARG 45 17.940 6.203 -10.531 337 2HB ARG 45 HB3 ARG 45 19.299 7.159 -9.982 338 1HG ARG 45 HG2 ARG 45 16.457 7.381 -8.895 339 2HG ARG 45 HG3 ARG 45 17.753 6.429 -8.219 340 1HD ARG 45 HD2 ARG 45 18.043 8.304 -6.913 341 2HD ARG 45 HD3 ARG 45 19.063 8.800 -8.262 342 HE ARG 45 HE ARG 45 17.119 9.999 -9.181 343 1HH1 ARG 45 HH21 ARG 45 17.186 9.566 -5.623 344 2HH1 ARG 45 HH22 ARG 45 15.713 10.473 -5.414 345 1HH2 ARG 45 HH11 ARG 45 15.182 11.011 -8.828 346 2HH2 ARG 45 HH12 ARG 45 14.634 11.359 -7.193 347 H GLY 46 H GLY 46 20.238 9.136 -11.971 348 1HA GLY 46 HA2 GLY 46 21.082 7.040 -13.626 349 2HA GLY 46 HA3 GLY 46 20.296 8.228 -14.676 350 H TYR 47 H TYR 47 23.274 7.334 -13.809 351 HA TYR 47 HA TYR 47 24.418 10.048 -13.934 352 1HB TYR 47 HB2 TYR 47 25.271 8.174 -11.709 353 2HB TYR 47 HB3 TYR 47 25.704 9.855 -11.926 354 HD1 TYR 47 HD1 TYR 47 23.166 7.490 -10.773 355 HD2 TYR 47 HD2 TYR 47 24.198 11.654 -11.109 356 HE1 TYR 47 HE1 TYR 47 21.467 8.037 -9.043 357 HE2 TYR 47 HE2 TYR 47 22.532 12.216 -9.365 358 HH TYR 47 HH TYR 47 21.039 11.372 -7.789 359 H LYS 48 H LYS 48 26.781 9.941 -14.246 360 HA LYS 48 HA LYS 48 27.655 8.054 -16.116 361 1HB LYS 48 HB2 LYS 48 28.626 10.309 -15.730 362 2HB LYS 48 HB3 LYS 48 29.310 9.761 -14.198 363 1HG LYS 48 HG2 LYS 48 30.755 8.158 -15.363 364 2HG LYS 48 HG3 LYS 48 29.999 8.560 -16.917 365 1HD LYS 48 HD2 LYS 48 30.869 10.871 -16.763 366 2HD LYS 48 HD3 LYS 48 31.496 10.541 -15.146 367 1HE LYS 48 HE2 LYS 48 33.344 10.450 -16.655 368 2HE LYS 48 HE3 LYS 48 33.026 8.815 -16.075 369 1HZ LYS 48 HZ1 LYS 48 31.925 8.356 -18.198 370 2HZ LYS 48 HZ2 LYS 48 32.207 9.887 -18.719 371 3HZ LYS 48 HZ3 LYS 48 33.446 8.871 -18.451 372 H TRP 49 H TRP 49 28.160 8.036 -12.541 373 HA TRP 49 HA TRP 49 30.034 5.911 -12.641 374 1HB TRP 49 HB2 TRP 49 29.543 5.727 -10.160 375 2HB TRP 49 HB3 TRP 49 30.189 7.228 -10.777 376 HD1 TRP 49 HD1 TRP 49 29.041 9.367 -10.091 377 HE1 TRP 49 HE1 TRP 49 26.950 10.012 -8.789 378 HE3 TRP 49 HE3 TRP 49 26.803 4.759 -9.821 379 HZ2 TRP 49 HZ2 TRP 49 24.605 8.680 -7.695 380 HZ3 TRP 49 HZ3 TRP 49 24.596 4.510 -8.763 381 HH2 TRP 49 HH2 TRP 49 23.468 6.477 -7.714 382 H ALA 50 H ALA 50 26.481 5.769 -12.691 383 HA ALA 50 HA ALA 50 26.552 2.869 -12.180 384 1HB ALA 50 HB1 ALA 50 24.146 2.978 -12.617 385 2HB ALA 50 HB2 ALA 50 24.671 3.985 -11.264 386 3HB ALA 50 HB3 ALA 50 24.262 4.746 -12.835 387 H GLU 51 H GLU 51 28.006 2.335 -13.883 388 HA GLU 51 HA GLU 51 27.431 2.806 -16.646 389 1HB GLU 51 HB2 GLU 51 28.971 0.558 -15.272 390 2HB GLU 51 HB3 GLU 51 28.946 0.842 -17.019 391 1HG GLU 51 HG2 GLU 51 29.869 3.135 -16.630 392 2HG GLU 51 HG3 GLU 51 29.990 2.773 -14.906 393 H TYR 52 H TYR 52 25.761 0.870 -14.342 394 HA TYR 52 HA TYR 52 24.137 -0.377 -16.440 395 1HB TYR 52 HB2 TYR 52 24.083 -2.440 -14.814 396 2HB TYR 52 HB3 TYR 52 25.274 -2.283 -16.091 397 HD1 TYR 52 HD1 TYR 52 27.580 -1.535 -15.602 398 HD2 TYR 52 HD2 TYR 52 24.802 -2.571 -12.491 399 HE1 TYR 52 HE1 TYR 52 29.486 -1.847 -14.018 400 HE2 TYR 52 HE2 TYR 52 26.671 -2.892 -10.897 401 HH TYR 52 HH TYR 52 28.982 -2.822 -10.590 402 H HIS 53 H HIS 53 22.009 -0.545 -15.843 403 HA HIS 53 HA HIS 53 20.899 1.275 -14.088 404 1HB HIS 53 HB2 HIS 53 19.365 -1.229 -14.783 405 2HB HIS 53 HB3 HIS 53 18.823 0.444 -14.783 406 HD1 HIS 53 HD1 HIS 53 19.427 1.850 -17.099 407 HD2 HIS 53 HD2 HIS 53 20.637 -2.174 -16.896 408 HE1 HIS 53 HE1 HIS 53 20.324 1.237 -19.414 409 H ALA 54 H ALA 54 21.735 -2.132 -13.448 410 HA ALA 54 HA ALA 54 20.302 -2.416 -11.019 411 1HB ALA 54 HB1 ALA 54 21.267 -4.320 -12.261 412 2HB ALA 54 HB2 ALA 54 22.909 -3.752 -11.875 413 3HB ALA 54 HB3 ALA 54 21.825 -4.293 -10.580 414 H ASP 55 H ASP 55 23.359 -0.709 -11.713 415 HA ASP 55 HA ASP 55 24.334 -0.771 -9.006 416 1HB ASP 55 HB2 ASP 55 25.698 -0.186 -11.102 417 2HB ASP 55 HB3 ASP 55 24.911 1.371 -11.081 418 H ILE 56 H ILE 56 22.509 1.686 -10.899 419 HA ILE 56 HA ILE 56 22.205 3.483 -8.685 420 HB ILE 56 HB ILE 56 20.047 4.112 -10.242 421 1HG1 ILE 56 HG12 ILE 56 21.962 2.763 -12.163 422 2HG1 ILE 56 HG13 ILE 56 20.212 2.606 -11.996 423 1HG2 ILE 56 HG21 ILE 56 21.350 5.967 -11.004 424 2HG2 ILE 56 HG22 ILE 56 21.753 5.571 -9.340 425 3HG2 ILE 56 HG23 ILE 56 22.864 5.104 -10.643 426 1HD1 ILE 56 HD11 ILE 56 20.022 4.962 -12.855 427 2HD1 ILE 56 HD12 ILE 56 21.790 4.946 -13.124 428 3HD1 ILE 56 HD13 ILE 56 20.757 3.811 -14.000 429 H TYR 57 H TYR 57 20.158 0.800 -9.944 430 HA TYR 57 HA TYR 57 17.974 1.352 -8.216 431 1HB TYR 57 HB2 TYR 57 17.749 -0.227 -10.053 432 2HB TYR 57 HB3 TYR 57 19.007 -1.267 -9.387 433 HD1 TYR 57 HD1 TYR 57 15.882 0.377 -8.070 434 HD2 TYR 57 HD2 TYR 57 18.195 -3.242 -8.405 435 HE1 TYR 57 HE1 TYR 57 14.281 -0.746 -6.590 436 HE2 TYR 57 HE2 TYR 57 16.560 -4.421 -6.970 437 HH TYR 57 HH TYR 57 13.747 -2.799 -5.463 438 H ASP 58 H ASP 58 20.883 -0.779 -7.675 439 HA ASP 58 HA ASP 58 20.104 -1.557 -5.059 440 1HB ASP 58 HB2 ASP 58 21.768 -2.791 -6.336 441 2HB ASP 58 HB3 ASP 58 22.852 -1.394 -6.348 442 H LYS 59 H LYS 59 22.311 1.053 -6.173 443 HA LYS 59 HA LYS 59 23.163 2.104 -3.707 444 1HB LYS 59 HB2 LYS 59 24.040 2.758 -5.922 445 2HB LYS 59 HB3 LYS 59 22.491 3.450 -6.353 446 1HG LYS 59 HG2 LYS 59 23.463 5.387 -5.793 447 2HG LYS 59 HG3 LYS 59 22.918 4.976 -4.191 448 1HD LYS 59 HD2 LYS 59 25.171 5.771 -4.070 449 2HD LYS 59 HD3 LYS 59 25.179 4.039 -3.673 450 1HE LYS 59 HE2 LYS 59 25.937 3.552 -6.018 451 2HE LYS 59 HE3 LYS 59 25.912 5.283 -6.369 452 1HZ LYS 59 HZ1 LYS 59 27.641 5.583 -4.695 453 2HZ LYS 59 HZ2 LYS 59 27.660 3.981 -4.362 454 3HZ LYS 59 HZ3 LYS 59 28.131 4.517 -5.825 455 H VAL 60 H VAL 60 20.321 3.122 -5.678 456 HA VAL 60 HA VAL 60 19.583 5.008 -3.631 457 HB VAL 60 HB VAL 60 18.271 4.278 -6.257 458 1HG1 VAL 60 HG11 VAL 60 17.044 6.411 -5.959 459 2HG1 VAL 60 HG12 VAL 60 16.648 5.295 -4.648 460 3HG1 VAL 60 HG13 VAL 60 17.776 6.621 -4.346 461 1HG2 VAL 60 HG21 VAL 60 20.118 6.564 -5.347 462 2HG2 VAL 60 HG22 VAL 60 20.588 5.237 -6.426 463 3HG2 VAL 60 HG23 VAL 60 19.423 6.405 -6.961 464 H SER 61 H SER 61 18.316 1.733 -4.540 465 HA SER 61 HA SER 61 16.133 1.891 -2.698 466 1HB SER 61 HB2 SER 61 17.720 -0.567 -3.525 467 2HB SER 61 HB3 SER 61 16.108 -0.531 -2.772 468 HG SER 61 HG SER 61 16.940 0.272 -5.322 469 H GLY 62 H GLY 62 19.636 1.219 -2.214 470 1HA GLY 62 HA2 GLY 62 19.533 0.437 0.506 471 2HA GLY 62 HA3 GLY 62 20.857 1.313 -0.294 472 H ASP 63 H ASP 63 19.730 3.757 -0.972 473 HA ASP 63 HA ASP 63 19.649 5.121 1.523 474 1HB ASP 63 HB2 ASP 63 20.370 6.171 -0.617 475 2HB ASP 63 HB3 ASP 63 18.688 6.186 -1.154 476 H MET 64 H MET 64 16.984 4.316 -0.805 477 HA MET 64 HA MET 64 14.897 5.452 0.730 478 1HB MET 64 HB2 MET 64 14.794 2.926 -0.973 479 2HB MET 64 HB3 MET 64 13.412 3.885 -0.457 480 1HG MET 64 HG2 MET 64 15.494 4.778 -2.447 481 2HG MET 64 HG3 MET 64 13.849 4.285 -2.758 482 1HE MET 64 HE1 MET 64 15.941 6.984 -0.661 483 2HE MET 64 HE2 MET 64 16.197 7.065 -2.424 484 3HE MET 64 HE3 MET 64 15.368 8.388 -1.580 485 H GLN 65 H GLN 65 16.308 2.121 0.969 486 HA GLN 65 HA GLN 65 14.490 1.260 2.984 487 1HB GLN 65 HB2 GLN 65 17.220 0.366 2.010 488 2HB GLN 65 HB3 GLN 65 16.414 -0.465 3.348 489 1HG GLN 65 HG2 GLN 65 14.581 -1.155 1.981 490 2HG GLN 65 HG3 GLN 65 15.017 -0.049 0.683 491 1HE2 GLN 65 HE22 GLN 65 15.061 -1.779 -0.870 492 2HE2 GLN 65 HE21 GLN 65 16.358 -2.948 -0.895 493 H LYS 66 H LYS 66 17.636 3.005 3.172 494 HA LYS 66 HA LYS 66 17.842 2.929 6.037 495 1HB LYS 66 HB2 LYS 66 19.722 3.495 4.645 496 2HB LYS 66 HB3 LYS 66 18.839 4.794 3.878 497 1HG LYS 66 HG2 LYS 66 18.812 6.008 6.131 498 2HG LYS 66 HG3 LYS 66 19.882 4.727 6.726 499 1HD LYS 66 HD2 LYS 66 21.269 6.573 6.032 500 2HD LYS 66 HD3 LYS 66 21.458 5.285 4.823 501 1HE LYS 66 HE2 LYS 66 19.750 6.457 3.382 502 2HE LYS 66 HE3 LYS 66 19.658 7.753 4.572 503 1HZ LYS 66 HZ1 LYS 66 21.864 8.388 4.038 504 2HZ LYS 66 HZ2 LYS 66 22.173 7.014 3.197 505 3HZ LYS 66 HZ3 LYS 66 21.107 8.096 2.598 506 H GLN 67 H GLN 67 16.122 5.193 3.758 507 HA GLN 67 HA GLN 67 15.003 6.815 5.867 508 1HB GLN 67 HB2 GLN 67 13.844 6.262 3.105 509 2HB GLN 67 HB3 GLN 67 13.331 7.503 4.244 510 1HG GLN 67 HG2 GLN 67 15.679 8.469 4.148 511 2HG GLN 67 HG3 GLN 67 16.043 7.300 2.881 512 1HE2 GLN 67 HE22 GLN 67 16.349 8.637 1.080 513 2HE2 GLN 67 HE21 GLN 67 15.111 9.748 0.520 514 H GLY 68 H GLY 68 14.060 3.703 4.496 515 1HA GLY 68 HA2 GLY 68 13.276 2.239 6.420 516 2HA GLY 68 HA3 GLY 68 11.939 3.382 6.579 517 H CYS 69 H CYS 69 12.521 3.309 3.338 518 HA CYS 69 HA CYS 69 9.974 2.193 2.791 519 1HB CYS 69 HB2 CYS 69 12.231 2.885 0.905 520 2HB CYS 69 HB3 CYS 69 10.510 2.865 0.522 521 HG CYS 69 HG CYS 69 11.381 5.339 0.600 522 H ASP 70 H ASP 70 9.834 0.918 0.635 523 HA ASP 70 HA ASP 70 11.707 -1.332 0.338 524 1HB ASP 70 HB2 ASP 70 9.782 -2.288 1.545 525 2HB ASP 70 HB3 ASP 70 8.667 -1.551 0.386 526 H CYS 71 H CYS 71 11.696 -1.966 -2.029 527 HA CYS 71 HA CYS 71 10.602 0.150 -3.794 528 1HB CYS 71 HB2 CYS 71 13.587 -0.482 -3.524 529 2HB CYS 71 HB3 CYS 71 12.855 0.672 -4.629 530 HG CYS 71 HG CYS 71 11.536 1.633 -2.224 531 H GLU 72 H GLU 72 11.031 -0.218 -6.132 532 HA GLU 72 HA GLU 72 12.093 -2.837 -6.966 533 1HB GLU 72 HB2 GLU 72 9.719 -3.254 -6.450 534 2HB GLU 72 HB3 GLU 72 9.245 -1.863 -7.447 535 1HG GLU 72 HG2 GLU 72 9.992 -2.926 -9.451 536 2HG GLU 72 HG3 GLU 72 10.822 -4.204 -8.555 537 H CYS 73 H CYS 73 13.256 -2.460 -8.897 538 HA CYS 73 HA CYS 73 12.993 0.078 -10.327 539 1HB CYS 73 HB2 CYS 73 14.509 -1.170 -11.998 540 2HB CYS 73 HB3 CYS 73 15.196 -0.751 -10.440 541 HG CYS 73 HG CYS 73 16.007 -3.129 -11.273 542 H LEU 74 H LEU 74 11.255 0.445 -11.590 543 HA LEU 74 HA LEU 74 9.459 -1.688 -12.439 544 1HB LEU 74 HB2 LEU 74 9.638 1.241 -13.277 545 2HB LEU 74 HB3 LEU 74 8.346 0.125 -13.706 546 HG LEU 74 HG LEU 74 8.997 1.187 -10.930 547 1HD1 LEU 74 HD11 LEU 74 6.756 2.178 -11.106 548 2HD1 LEU 74 HD12 LEU 74 7.773 2.696 -12.465 549 3HD1 LEU 74 HD13 LEU 74 6.533 1.451 -12.710 550 1HD2 LEU 74 HD21 LEU 74 6.940 -0.924 -11.724 551 2HD2 LEU 74 HD22 LEU 74 8.298 -1.117 -10.587 552 3HD2 LEU 74 HD23 LEU 74 6.950 -0.061 -10.173 553 H GLY 75 H GLY 75 12.209 0.068 -13.807 554 1HA GLY 75 HA2 GLY 75 12.993 -1.901 -15.581 555 2HA GLY 75 HA3 GLY 75 11.982 -0.788 -16.522 556 H GLY 76 H GLY 76 14.291 -0.549 -17.527 557 1HA GLY 76 HA2 GLY 76 15.334 2.000 -16.522 558 2HA GLY 76 HA3 GLY 76 16.507 0.675 -16.539 559 H GLY 77 H GLY 77 17.387 2.488 -18.004 560 1HA GLY 77 HA2 GLY 77 17.349 1.807 -20.764 561 2HA GLY 77 HA3 GLY 77 16.290 3.202 -20.465 562 H ARG 78 H ARG 78 17.812 4.604 -21.606 563 HA ARG 78 HA ARG 78 20.033 5.471 -19.884 564 1HB ARG 78 HB2 ARG 78 21.603 5.646 -21.777 565 2HB ARG 78 HB3 ARG 78 21.199 3.990 -21.340 566 1HG ARG 78 HG2 ARG 78 19.734 3.768 -23.278 567 2HG ARG 78 HG3 ARG 78 19.968 5.488 -23.681 568 1HD ARG 78 HD2 ARG 78 22.259 5.175 -24.203 569 2HD ARG 78 HD3 ARG 78 22.333 3.600 -23.400 570 HE ARG 78 HE ARG 78 20.640 2.907 -25.285 571 1HH1 ARG 78 HH21 ARG 78 23.435 5.072 -25.731 572 2HH1 ARG 78 HH22 ARG 78 23.852 4.432 -27.280 573 1HH2 ARG 78 HH11 ARG 78 21.271 1.984 -27.245 574 2HH2 ARG 78 HH12 ARG 78 22.515 2.714 -28.217 575 H ILE 79 H ILE 79 20.991 7.497 -20.748 576 HA ILE 79 HA ILE 79 18.877 9.400 -21.570 577 HB ILE 79 HB ILE 79 20.351 9.093 -18.936 578 1HG1 ILE 79 HG12 ILE 79 17.534 9.892 -19.780 579 2HG1 ILE 79 HG13 ILE 79 18.034 8.346 -19.113 580 1HG2 ILE 79 HG21 ILE 79 19.353 11.803 -19.954 581 2HG2 ILE 79 HG22 ILE 79 19.947 11.453 -18.315 582 3HG2 ILE 79 HG23 ILE 79 21.054 11.363 -19.659 583 1HD1 ILE 79 HD11 ILE 79 18.656 9.612 -16.966 584 2HD1 ILE 79 HD12 ILE 79 17.794 11.004 -17.663 585 3HD1 ILE 79 HD13 ILE 79 16.924 9.498 -17.357 586 H SER 80 H SER 80 19.676 11.184 -22.605 587 HA SER 80 HA SER 80 22.572 11.652 -22.864 588 1HB SER 80 HB2 SER 80 20.752 11.170 -25.273 589 2HB SER 80 HB3 SER 80 22.476 11.569 -25.314 590 HG SER 80 HG SER 80 22.026 9.326 -25.618 591 H HIS 81 H HIS 81 22.931 13.741 -24.014 592 HA HIS 81 HA HIS 81 20.618 15.622 -23.881 593 1HB HIS 81 HB2 HIS 81 22.659 16.167 -22.520 594 2HB HIS 81 HB3 HIS 81 23.602 16.227 -24.007 595 HD1 HIS 81 HD1 HIS 81 22.109 18.169 -25.884 596 HD2 HIS 81 HD2 HIS 81 22.156 18.517 -21.675 597 HE1 HIS 81 HE1 HIS 81 21.639 20.598 -25.352 598 H GLN 82 H GLN 82 19.834 16.262 -25.836 599 HA GLN 82 HA GLN 82 20.825 14.981 -28.257 600 1HB GLN 82 HB2 GLN 82 18.560 16.958 -27.729 601 2HB GLN 82 HB3 GLN 82 18.854 16.147 -29.271 602 1HG GLN 82 HG2 GLN 82 18.528 13.943 -28.136 603 2HG GLN 82 HG3 GLN 82 18.173 14.798 -26.629 604 1HE2 GLN 82 HE22 GLN 82 16.001 15.281 -26.241 605 2HE2 GLN 82 HE21 GLN 82 14.770 15.185 -27.474 606 H SER 83 H SER 83 21.005 16.327 -30.277 607 HA SER 83 HA SER 83 22.236 19.009 -29.818 608 1HB SER 83 HB2 SER 83 23.048 16.969 -31.921 609 2HB SER 83 HB3 SER 83 23.806 18.538 -31.603 610 HG SER 83 HG SER 83 24.937 16.782 -30.637 611 H GLN 84 H GLN 84 20.091 16.995 -31.847 612 HA GLN 84 HA GLN 84 19.518 18.917 -33.842 613 1HB GLN 84 HB2 GLN 84 17.506 17.617 -34.260 614 2HB GLN 84 HB3 GLN 84 18.903 16.564 -34.040 615 1HG GLN 84 HG2 GLN 84 18.147 16.082 -31.700 616 2HG GLN 84 HG3 GLN 84 16.735 17.108 -31.952 617 1HE2 GLN 84 HE22 GLN 84 16.166 14.634 -31.133 618 2HE2 GLN 84 HE21 GLN 84 15.563 13.641 -32.448 619 H ASP 85 H ASP 85 18.519 18.702 -30.498 620 HA ASP 85 HA ASP 85 17.474 21.393 -30.572 621 1HB ASP 85 HB2 ASP 85 15.427 19.905 -30.868 622 2HB ASP 85 HB3 ASP 85 15.811 19.164 -29.314 623 H LYS 86 H LYS 86 17.642 22.195 -28.274 624 HA LYS 86 HA LYS 86 20.046 20.868 -27.138 625 1HB LYS 86 HB2 LYS 86 19.009 23.655 -26.523 626 2HB LYS 86 HB3 LYS 86 20.600 22.985 -26.165 627 1HG LYS 86 HG2 LYS 86 19.443 23.739 -28.873 628 2HG LYS 86 HG3 LYS 86 20.787 24.495 -28.026 629 1HD LYS 86 HD2 LYS 86 22.174 22.464 -28.372 630 2HD LYS 86 HD3 LYS 86 20.815 21.672 -29.203 631 1HE LYS 86 HE2 LYS 86 20.769 23.592 -30.839 632 2HE LYS 86 HE3 LYS 86 22.243 24.213 -30.088 633 1HZ LYS 86 HZ1 LYS 86 23.340 22.128 -30.725 634 2HZ LYS 86 HZ2 LYS 86 21.961 21.585 -31.446 635 3HZ LYS 86 HZ3 LYS 86 22.742 22.893 -32.032 636 H LYS 87 H LYS 87 18.387 19.173 -26.386 637 HA LYS 87 HA LYS 87 17.612 19.772 -23.603 638 1HB LYS 87 HB2 LYS 87 15.312 19.192 -23.901 639 2HB LYS 87 HB3 LYS 87 15.706 20.492 -25.004 640 1HG LYS 87 HG2 LYS 87 15.888 18.755 -26.854 641 2HG LYS 87 HG3 LYS 87 15.318 17.535 -25.685 642 1HD LYS 87 HD2 LYS 87 13.253 18.802 -25.311 643 2HD LYS 87 HD3 LYS 87 13.849 20.111 -26.349 644 1HE LYS 87 HE2 LYS 87 13.972 18.220 -28.188 645 2HE LYS 87 HE3 LYS 87 12.849 17.363 -27.116 646 1HZ LYS 87 HZ1 LYS 87 11.570 18.695 -28.626 647 2HZ LYS 87 HZ2 LYS 87 11.513 19.505 -27.176 648 3HZ LYS 87 HZ3 LYS 87 12.529 20.011 -28.374 649 H ILE 88 H ILE 88 16.575 17.726 -22.596 650 HA ILE 88 HA ILE 88 18.566 15.620 -22.991 651 HB ILE 88 HB ILE 88 16.278 15.852 -21.000 652 1HG1 ILE 88 HG12 ILE 88 17.587 17.801 -20.651 653 2HG1 ILE 88 HG13 ILE 88 17.993 16.670 -19.381 654 1HG2 ILE 88 HG21 ILE 88 18.775 14.110 -20.939 655 2HG2 ILE 88 HG22 ILE 88 17.739 14.408 -19.534 656 3HG2 ILE 88 HG23 ILE 88 17.077 13.578 -20.927 657 1HD1 ILE 88 HD11 ILE 88 20.072 16.038 -20.730 658 2HD1 ILE 88 HD12 ILE 88 19.678 17.379 -21.819 659 3HD1 ILE 88 HD13 ILE 88 20.032 17.700 -20.114 660 H HIS 89 H HIS 89 17.837 13.275 -23.022 661 HA HIS 89 HA HIS 89 15.145 12.782 -24.069 662 1HB HIS 89 HB2 HIS 89 16.859 13.028 -26.006 663 2HB HIS 89 HB3 HIS 89 17.547 11.518 -25.432 664 HD1 HIS 89 HD1 HIS 89 14.063 12.856 -26.628 665 HD2 HIS 89 HD2 HIS 89 16.509 9.426 -26.604 666 HE1 HIS 89 HE1 HIS 89 12.833 11.068 -27.976 667 H VAL 90 H VAL 90 14.440 10.650 -23.475 668 HA VAL 90 HA VAL 90 16.280 9.012 -21.788 669 HB VAL 90 HB VAL 90 13.331 9.456 -21.187 670 1HG1 VAL 90 HG11 VAL 90 13.842 8.460 -19.063 671 2HG1 VAL 90 HG12 VAL 90 14.593 7.437 -20.298 672 3HG1 VAL 90 HG13 VAL 90 15.587 8.544 -19.355 673 1HG2 VAL 90 HG21 VAL 90 15.627 11.047 -19.980 674 2HG2 VAL 90 HG22 VAL 90 14.242 11.660 -20.903 675 3HG2 VAL 90 HG23 VAL 90 13.985 10.954 -19.309 676 H TYR 91 H TYR 91 16.316 6.891 -22.636 677 HA TYR 91 HA TYR 91 13.990 5.861 -24.094 678 1HB TYR 91 HB2 TYR 91 15.055 5.826 -26.255 679 2HB TYR 91 HB3 TYR 91 15.065 7.472 -25.692 680 HD1 TYR 91 HD1 TYR 91 17.059 4.746 -26.904 681 HD2 TYR 91 HD2 TYR 91 17.297 8.358 -24.562 682 HE1 TYR 91 HE1 TYR 91 19.477 4.849 -27.344 683 HE2 TYR 91 HE2 TYR 91 19.725 8.462 -24.965 684 HH TYR 91 HH TYR 91 21.444 6.125 -27.079 685 H GLY 92 H GLY 92 14.970 3.831 -25.480 686 1HA GLY 92 HA2 GLY 92 16.406 2.059 -25.609 687 2HA GLY 92 HA3 GLY 92 17.273 2.615 -24.181 688 H TYR 93 H TYR 93 17.318 0.352 -23.669 689 HA TYR 93 HA TYR 93 14.975 -0.642 -22.159 690 1HB TYR 93 HB2 TYR 93 16.570 -2.123 -24.310 691 2HB TYR 93 HB3 TYR 93 15.676 -2.950 -23.053 692 HD1 TYR 93 HD1 TYR 93 13.523 -3.696 -23.516 693 HD2 TYR 93 HD2 TYR 93 15.106 -0.394 -25.793 694 HE1 TYR 93 HE1 TYR 93 11.468 -3.657 -24.892 695 HE2 TYR 93 HE2 TYR 93 13.041 -0.310 -27.129 696 HH TYR 93 HH TYR 93 10.923 -1.191 -27.457 697 H SER 94 H SER 94 15.722 -1.707 -20.255 698 HA SER 94 HA SER 94 18.427 -1.222 -19.462 699 1HB SER 94 HB2 SER 94 16.789 -1.283 -17.768 700 2HB SER 94 HB3 SER 94 16.171 -2.853 -18.287 701 HG SER 94 HG SER 94 17.718 -2.676 -16.380 702 H MET 95 H MET 95 20.163 -2.646 -19.287 703 HA MET 95 HA MET 95 20.217 -4.972 -21.035 704 1HB MET 95 HB2 MET 95 22.498 -5.212 -20.416 705 2HB MET 95 HB3 MET 95 22.187 -3.491 -20.630 706 1HG MET 95 HG2 MET 95 21.991 -3.273 -18.132 707 2HG MET 95 HG3 MET 95 22.364 -4.986 -17.978 708 1HE MET 95 HE1 MET 95 23.616 -1.412 -18.587 709 2HE MET 95 HE2 MET 95 25.313 -1.614 -19.081 710 3HE MET 95 HE3 MET 95 24.004 -2.037 -20.208 711 H ALA 96 H ALA 96 19.036 -4.503 -17.841 712 HA ALA 96 HA ALA 96 19.405 -7.393 -17.153 713 1HB ALA 96 HB1 ALA 96 21.004 -5.945 -15.937 714 2HB ALA 96 HB2 ALA 96 19.647 -4.968 -15.321 715 3HB ALA 96 HB3 ALA 96 19.812 -6.668 -14.841 716 H TYR 97 H TYR 97 17.160 -4.807 -17.512 717 HA TYR 97 HA TYR 97 15.007 -6.304 -16.116 718 1HB TYR 97 HB2 TYR 97 15.324 -3.283 -16.027 719 2HB TYR 97 HB3 TYR 97 14.157 -4.259 -15.160 720 HD1 TYR 97 HD1 TYR 97 16.682 -2.181 -14.447 721 HD2 TYR 97 HD2 TYR 97 15.664 -6.326 -13.797 722 HE1 TYR 97 HE1 TYR 97 18.181 -2.241 -12.477 723 HE2 TYR 97 HE2 TYR 97 17.153 -6.391 -11.831 724 HH TYR 97 HH TYR 97 18.621 -5.204 -10.485 725 H GLY 98 H GLY 98 12.842 -4.907 -16.811 726 1HA GLY 98 HA2 GLY 98 12.664 -4.998 -19.719 727 2HA GLY 98 HA3 GLY 98 11.408 -4.494 -18.580 728 HA PRO 99 HA PRO 99 13.251 -0.588 -20.508 729 1HB PRO 99 HB2 PRO 99 11.096 0.191 -21.996 730 2HB PRO 99 HB3 PRO 99 12.383 -0.863 -22.651 731 1HG PRO 99 HG2 PRO 99 9.687 -1.681 -21.530 732 2HG PRO 99 HG3 PRO 99 10.464 -2.239 -23.037 733 1HD PRO 99 HD2 PRO 99 10.562 -3.661 -20.692 734 2HD PRO 99 HD3 PRO 99 11.917 -3.678 -21.855 735 H ALA 100 H ALA 100 12.795 1.255 -19.311 736 HA ALA 100 HA ALA 100 10.792 1.131 -17.201 737 1HB ALA 100 HB1 ALA 100 12.464 3.422 -18.274 738 2HB ALA 100 HB2 ALA 100 11.558 3.432 -16.751 739 3HB ALA 100 HB3 ALA 100 12.951 2.360 -16.944 740 H GLN 101 H GLN 101 9.175 2.866 -16.928 741 HA GLN 101 HA GLN 101 7.665 3.519 -19.378 742 1HB GLN 101 HB2 GLN 101 7.169 4.017 -16.404 743 2HB GLN 101 HB3 GLN 101 6.135 4.641 -17.696 744 1HG GLN 101 HG2 GLN 101 5.618 2.394 -18.466 745 2HG GLN 101 HG3 GLN 101 6.714 1.685 -17.267 746 1HE2 GLN 101 HE22 GLN 101 3.665 3.575 -17.632 747 2HE2 GLN 101 HE21 GLN 101 3.012 3.131 -16.077 748 H HIS 102 H HIS 102 9.676 4.690 -20.179 749 HA HIS 102 HA HIS 102 10.846 6.857 -18.912 750 1HB HIS 102 HB2 HIS 102 10.354 6.627 -21.891 751 2HB HIS 102 HB3 HIS 102 11.630 7.553 -21.109 752 HD1 HIS 102 HD1 HIS 102 11.062 4.156 -22.564 753 HD2 HIS 102 HD2 HIS 102 13.295 5.872 -19.452 754 HE1 HIS 102 HE1 HIS 102 12.815 2.439 -21.881 755 H ALA 103 H ALA 103 7.660 6.821 -20.360 756 HA ALA 103 HA ALA 103 7.114 9.538 -20.747 757 1HB ALA 103 HB1 ALA 103 5.352 7.346 -19.564 758 2HB ALA 103 HB2 ALA 103 4.784 8.907 -20.197 759 3HB ALA 103 HB3 ALA 103 5.545 7.736 -21.291 760 H ILE 104 H ILE 104 7.345 7.659 -17.706 761 HA ILE 104 HA ILE 104 6.328 9.670 -15.932 762 HB ILE 104 HB ILE 104 8.233 7.326 -15.480 763 1HG1 ILE 104 HG12 ILE 104 5.959 6.666 -16.340 764 2HG1 ILE 104 HG13 ILE 104 6.367 6.018 -14.763 765 1HG2 ILE 104 HG21 ILE 104 7.459 7.478 -13.076 766 2HG2 ILE 104 HG22 ILE 104 8.550 8.751 -13.631 767 3HG2 ILE 104 HG23 ILE 104 6.814 9.091 -13.466 768 1HD1 ILE 104 HD11 ILE 104 4.649 8.508 -15.135 769 2HD1 ILE 104 HD12 ILE 104 4.020 6.846 -14.954 770 3HD1 ILE 104 HD13 ILE 104 4.943 7.584 -13.634 771 H SER 105 H SER 105 9.648 8.809 -17.084 772 HA SER 105 HA SER 105 11.039 10.681 -15.531 773 1HB SER 105 HB2 SER 105 11.702 9.748 -18.349 774 2HB SER 105 HB3 SER 105 12.807 10.371 -17.130 775 HG SER 105 HG SER 105 12.800 8.092 -17.170 776 H THR 106 H THR 106 9.739 11.016 -18.913 777 HA THR 106 HA THR 106 10.486 13.717 -19.181 778 HB THR 106 HB THR 106 8.407 13.750 -20.805 779 HG1 THR 106 HG1 THR 106 7.565 11.716 -19.896 780 1HG2 THR 106 HG21 THR 106 10.830 11.937 -21.188 781 2HG2 THR 106 HG22 THR 106 9.722 12.452 -22.480 782 3HG2 THR 106 HG23 THR 106 10.683 13.656 -21.623 783 H GLU 107 H GLU 107 7.433 12.389 -17.747 784 HA GLU 107 HA GLU 107 6.222 14.924 -17.380 785 1HB GLU 107 HB2 GLU 107 5.870 12.191 -16.049 786 2HB GLU 107 HB3 GLU 107 4.992 13.615 -15.480 787 1HG GLU 107 HG2 GLU 107 4.071 13.990 -17.744 788 2HG GLU 107 HG3 GLU 107 4.924 12.572 -18.342 789 H LYS 108 H LYS 108 8.245 12.974 -15.111 790 HA LYS 108 HA LYS 108 8.030 14.915 -13.000 791 1HB LYS 108 HB2 LYS 108 9.968 12.612 -13.501 792 2HB LYS 108 HB3 LYS 108 9.951 13.593 -12.024 793 1HG LYS 108 HG2 LYS 108 7.710 12.948 -11.474 794 2HG LYS 108 HG3 LYS 108 7.522 12.051 -12.988 795 1HD LYS 108 HD2 LYS 108 9.221 10.460 -12.365 796 2HD LYS 108 HD3 LYS 108 9.665 11.367 -10.914 797 1HE LYS 108 HE2 LYS 108 6.822 10.386 -11.354 798 2HE LYS 108 HE3 LYS 108 8.055 9.306 -10.680 799 1HZ LYS 108 HZ1 LYS 108 6.630 10.784 -9.095 800 2HZ LYS 108 HZ2 LYS 108 8.226 10.519 -8.787 801 3HZ LYS 108 HZ3 LYS 108 7.795 11.925 -9.420 802 H ILE 109 H ILE 109 10.583 14.340 -15.477 803 HA ILE 109 HA ILE 109 12.389 16.303 -14.435 804 HB ILE 109 HB ILE 109 12.010 15.017 -17.140 805 1HG1 ILE 109 HG12 ILE 109 14.325 14.696 -15.173 806 2HG1 ILE 109 HG13 ILE 109 12.886 13.679 -15.121 807 1HG2 ILE 109 HG21 ILE 109 14.176 15.931 -17.885 808 2HG2 ILE 109 HG22 ILE 109 13.061 17.247 -17.545 809 3HG2 ILE 109 HG23 ILE 109 14.329 16.834 -16.378 810 1HD1 ILE 109 HD11 ILE 109 13.336 12.987 -17.509 811 2HD1 ILE 109 HD12 ILE 109 14.887 13.852 -17.407 812 3HD1 ILE 109 HD13 ILE 109 14.565 12.483 -16.338 813 H LYS 110 H LYS 110 9.728 16.563 -16.967 814 HA LYS 110 HA LYS 110 10.263 19.349 -17.369 815 1HB LYS 110 HB2 LYS 110 7.735 17.719 -17.840 816 2HB LYS 110 HB3 LYS 110 7.895 19.438 -18.257 817 1HG LYS 110 HG2 LYS 110 9.805 18.980 -19.705 818 2HG LYS 110 HG3 LYS 110 9.713 17.256 -19.311 819 1HD LYS 110 HD2 LYS 110 7.499 17.080 -20.333 820 2HD LYS 110 HD3 LYS 110 7.496 18.830 -20.685 821 1HE LYS 110 HE2 LYS 110 9.522 18.575 -22.085 822 2HE LYS 110 HE3 LYS 110 9.595 16.857 -21.697 823 1HZ LYS 110 HZ1 LYS 110 7.442 18.166 -23.257 824 2HZ LYS 110 HZ2 LYS 110 8.610 17.176 -23.837 825 3HZ LYS 110 HZ3 LYS 110 7.456 16.583 -22.849 826 H ALA 111 H ALA 111 8.256 17.679 -14.891 827 HA ALA 111 HA ALA 111 7.084 20.071 -13.870 828 1HB ALA 111 HB1 ALA 111 6.662 18.757 -11.841 829 2HB ALA 111 HB2 ALA 111 6.270 17.817 -13.293 830 3HB ALA 111 HB3 ALA 111 7.772 17.491 -12.398 831 H LYS 112 H LYS 112 10.227 18.461 -13.113 832 HA LYS 112 HA LYS 112 10.788 20.449 -11.017 833 1HB LYS 112 HB2 LYS 112 11.903 17.811 -11.858 834 2HB LYS 112 HB3 LYS 112 13.106 18.970 -11.327 835 1HG LYS 112 HG2 LYS 112 12.438 17.704 -9.413 836 2HG LYS 112 HG3 LYS 112 11.917 19.370 -9.232 837 1HD LYS 112 HD2 LYS 112 10.168 18.038 -8.393 838 2HD LYS 112 HD3 LYS 112 9.575 18.635 -9.947 839 1HE LYS 112 HE2 LYS 112 10.169 16.454 -10.999 840 2HE LYS 112 HE3 LYS 112 10.858 15.909 -9.470 841 1HZ LYS 112 HZ1 LYS 112 8.729 14.985 -9.563 842 2HZ LYS 112 HZ2 LYS 112 8.568 16.217 -8.516 843 3HZ LYS 112 HZ3 LYS 112 7.996 16.389 -10.037 844 H TYR 113 H TYR 113 11.547 20.173 -14.395 845 HA TYR 113 HA TYR 113 13.027 21.098 -15.757 846 1HB TYR 113 HB2 TYR 113 12.471 23.563 -14.085 847 2HB TYR 113 HB3 TYR 113 13.337 23.570 -15.613 848 HD1 TYR 113 HD1 TYR 113 12.140 22.432 -17.668 849 HD2 TYR 113 HD2 TYR 113 10.137 23.997 -14.177 850 HE1 TYR 113 HE1 TYR 113 10.064 22.699 -18.987 851 HE2 TYR 113 HE2 TYR 113 8.060 24.282 -15.489 852 HH TYR 113 HH TYR 113 7.033 24.026 -17.568 853 HA PRO 114 HA PRO 114 16.845 20.840 -13.080 854 1HB PRO 114 HB2 PRO 114 17.739 18.362 -13.708 855 2HB PRO 114 HB3 PRO 114 16.508 18.609 -12.429 856 1HG PRO 114 HG2 PRO 114 16.072 17.832 -15.320 857 2HG PRO 114 HG3 PRO 114 15.377 17.064 -13.858 858 1HD PRO 114 HD2 PRO 114 14.040 18.960 -15.352 859 2HD PRO 114 HD3 PRO 114 13.805 18.774 -13.590 860 H ASP 115 H ASP 115 15.686 20.420 -16.313 861 HA ASP 115 HA ASP 115 17.942 21.832 -17.442 862 1HB ASP 115 HB2 ASP 115 18.371 19.292 -17.778 863 2HB ASP 115 HB3 ASP 115 16.969 19.315 -18.844 864 H TYR 116 H TYR 116 17.041 22.142 -19.989 865 HA TYR 116 HA TYR 116 14.867 23.944 -19.537 866 1HB TYR 116 HB2 TYR 116 16.645 24.403 -21.126 867 2HB TYR 116 HB3 TYR 116 16.285 22.941 -22.035 868 HD1 TYR 116 HD1 TYR 116 14.800 23.012 -23.876 869 HD2 TYR 116 HD2 TYR 116 14.770 26.225 -20.992 870 HE1 TYR 116 HE1 TYR 116 13.240 24.278 -25.316 871 HE2 TYR 116 HE2 TYR 116 13.207 27.504 -22.428 872 HH TYR 116 HH TYR 116 12.007 26.241 -25.576 873 H GLU 117 H GLU 117 15.071 20.762 -21.233 874 HA GLU 117 HA GLU 117 12.280 20.215 -20.857 875 1HB GLU 117 HB2 GLU 117 12.368 21.855 -22.865 876 2HB GLU 117 HB3 GLU 117 13.176 20.568 -23.750 877 1HG GLU 117 HG2 GLU 117 11.138 19.148 -23.450 878 2HG GLU 117 HG3 GLU 117 10.396 20.434 -22.500 879 H VAL 118 H VAL 118 11.894 18.065 -22.349 880 HA VAL 118 HA VAL 118 14.204 16.427 -22.784 881 HB VAL 118 HB VAL 118 14.089 16.340 -20.349 882 1HG1 VAL 118 HG11 VAL 118 11.159 15.672 -20.698 883 2HG1 VAL 118 HG12 VAL 118 12.069 15.300 -19.235 884 3HG1 VAL 118 HG13 VAL 118 11.919 16.978 -19.759 885 1HG2 VAL 118 HG21 VAL 118 14.041 14.015 -19.943 886 2HG2 VAL 118 HG22 VAL 118 12.973 13.699 -21.318 887 3HG2 VAL 118 HG23 VAL 118 14.644 14.229 -21.590 888 H THR 119 H THR 119 13.398 14.256 -23.628 889 HA THR 119 HA THR 119 10.560 14.053 -24.330 890 HB THR 119 HB THR 119 11.411 13.426 -26.744 891 HG1 THR 119 HG1 THR 119 13.445 15.124 -25.739 892 1HG2 THR 119 HG21 THR 119 11.287 16.363 -25.943 893 2HG2 THR 119 HG22 THR 119 11.073 15.686 -27.572 894 3HG2 THR 119 HG23 THR 119 9.893 15.324 -26.302 895 H TRP 120 H TRP 120 10.370 11.707 -25.515 896 HA TRP 120 HA TRP 120 12.481 9.936 -24.566 897 1HB TRP 120 HB2 TRP 120 11.059 8.390 -23.463 898 2HB TRP 120 HB3 TRP 120 10.760 9.949 -22.725 899 HD1 TRP 120 HD1 TRP 120 8.413 11.168 -23.936 900 HE1 TRP 120 HE1 TRP 120 6.116 10.089 -24.163 901 HE3 TRP 120 HE3 TRP 120 9.856 6.261 -24.006 902 HZ2 TRP 120 HZ2 TRP 120 5.017 7.402 -24.243 903 HZ3 TRP 120 HZ3 TRP 120 8.158 4.461 -24.079 904 HH2 TRP 120 HH2 TRP 120 5.738 5.016 -24.207 905 H ALA 121 H ALA 121 12.198 7.707 -25.402 906 HA ALA 121 HA ALA 121 10.314 7.357 -27.576 907 1HB ALA 121 HB1 ALA 121 13.332 7.078 -28.061 908 2HB ALA 121 HB2 ALA 121 12.053 6.611 -29.202 909 3HB ALA 121 HB3 ALA 121 12.283 8.322 -28.780 910 H ASN 122 H ASN 122 9.871 5.141 -27.855 911 HA ASN 122 HA ASN 122 10.704 3.404 -25.636 912 1HB ASN 122 HB2 ASN 122 8.814 2.107 -26.156 913 2HB ASN 122 HB3 ASN 122 8.282 3.776 -26.310 914 1HD2 ASN 122 HD22 ASN 122 7.466 1.029 -27.632 915 2HD2 ASN 122 HD21 ASN 122 7.355 1.445 -29.322 916 H ASP 123 H ASP 123 12.702 3.983 -27.705 917 HA ASP 123 HA ASP 123 13.284 1.328 -28.813 918 1HB ASP 123 HB2 ASP 123 11.740 2.699 -30.420 919 2HB ASP 123 HB3 ASP 123 13.158 3.701 -30.700 920 H GLY 124 H GLY 124 15.438 2.241 -30.476 921 1HA GLY 124 HA2 GLY 124 17.456 3.307 -30.518 922 2HA GLY 124 HA3 GLY 124 17.062 4.164 -29.029 923 H TYR 125 H TYR 125 16.448 1.463 -27.769 924 HA TYR 125 HA TYR 125 17.451 0.067 -26.282 925 1HB TYR 125 HB2 TYR 125 18.845 -0.727 -28.852 926 2HB TYR 125 HB3 TYR 125 18.865 -1.670 -27.370 927 HD1 TYR 125 HD1 TYR 125 16.623 -0.359 -30.059 928 HD2 TYR 125 HD2 TYR 125 17.028 -3.062 -26.720 929 HE1 TYR 125 HE1 TYR 125 14.478 -1.437 -30.675 930 HE2 TYR 125 HE2 TYR 125 14.900 -4.155 -27.334 931 HH TYR 125 HH TYR 125 13.106 -4.198 -28.825 Start of MODEL 18 1 1H MET 1 H1 MET 1 9.325 17.030 16.184 2 2H MET 1 H2 MET 1 8.093 16.728 15.147 3 3H MET 1 H3 MET 1 8.141 15.967 16.592 4 HA MET 1 HA MET 1 10.054 15.616 14.394 5 1HB MET 1 HB2 MET 1 11.120 15.380 16.626 6 2HB MET 1 HB3 MET 1 9.926 14.161 17.076 7 1HG MET 1 HG2 MET 1 12.049 13.143 16.387 8 2HG MET 1 HG3 MET 1 10.730 12.654 15.340 9 1HE MET 1 HE1 MET 1 14.111 14.541 15.691 10 2HE MET 1 HE2 MET 1 14.265 15.419 14.154 11 3HE MET 1 HE3 MET 1 13.070 15.946 15.357 12 H ALA 2 H ALA 2 9.505 14.094 12.887 13 HA ALA 2 HA ALA 2 7.638 11.942 13.462 14 1HB ALA 2 HB1 ALA 2 6.141 12.514 11.565 15 2HB ALA 2 HB2 ALA 2 6.073 13.770 12.813 16 3HB ALA 2 HB3 ALA 2 7.011 14.043 11.325 17 H VAL 3 H VAL 3 7.583 10.456 11.508 18 HA VAL 3 HA VAL 3 10.184 10.084 10.359 19 HB VAL 3 HB VAL 3 9.073 8.247 9.170 20 1HG1 VAL 3 HG11 VAL 3 8.199 8.282 12.088 21 2HG1 VAL 3 HG12 VAL 3 8.581 6.872 11.081 22 3HG1 VAL 3 HG13 VAL 3 9.861 8.009 11.546 23 1HG2 VAL 3 HG21 VAL 3 6.812 9.277 8.799 24 2HG2 VAL 3 HG22 VAL 3 6.759 7.648 9.471 25 3HG2 VAL 3 HG23 VAL 3 6.456 9.046 10.521 26 H ALA 4 H ALA 4 10.523 9.888 7.956 27 HA ALA 4 HA ALA 4 9.657 12.235 6.499 28 1HB ALA 4 HB1 ALA 4 11.861 11.132 6.118 29 2HB ALA 4 HB2 ALA 4 11.026 9.702 5.477 30 3HB ALA 4 HB3 ALA 4 10.904 11.253 4.636 31 H ASP 5 H ASP 5 8.792 11.614 4.073 32 HA ASP 5 HA ASP 5 6.581 9.678 4.164 33 1HB ASP 5 HB2 ASP 5 5.567 11.713 5.131 34 2HB ASP 5 HB3 ASP 5 6.179 12.680 3.787 35 H LEU 6 H LEU 6 5.782 9.300 1.959 36 HA LEU 6 HA LEU 6 7.765 9.143 0.002 37 1HB LEU 6 HB2 LEU 6 4.727 9.189 -0.198 38 2HB LEU 6 HB3 LEU 6 5.774 8.896 -1.561 39 HG LEU 6 HG LEU 6 5.469 7.117 0.863 40 1HD1 LEU 6 HD11 LEU 6 4.616 5.530 -0.828 41 2HD1 LEU 6 HD12 LEU 6 3.669 7.025 -0.831 42 3HD1 LEU 6 HD13 LEU 6 4.864 6.733 -2.106 43 1HD2 LEU 6 HD21 LEU 6 7.431 6.891 -1.454 44 2HD2 LEU 6 HD22 LEU 6 7.788 6.912 0.294 45 3HD2 LEU 6 HD23 LEU 6 6.975 5.527 -0.421 46 H ALA 7 H ALA 7 5.490 11.844 0.585 47 HA ALA 7 HA ALA 7 6.017 13.132 -1.911 48 1HB ALA 7 HB1 ALA 7 3.972 13.542 -0.577 49 2HB ALA 7 HB2 ALA 7 4.962 14.288 0.704 50 3HB ALA 7 HB3 ALA 7 4.855 15.047 -0.897 51 H LEU 8 H LEU 8 7.782 12.956 1.099 52 HA LEU 8 HA LEU 8 9.297 15.449 0.629 53 1HB LEU 8 HB2 LEU 8 9.523 13.350 2.825 54 2HB LEU 8 HB3 LEU 8 10.423 14.857 2.752 55 HG LEU 8 HG LEU 8 7.392 14.646 3.027 56 1HD1 LEU 8 HD11 LEU 8 8.576 13.895 5.042 57 2HD1 LEU 8 HD12 LEU 8 9.531 15.394 5.065 58 3HD1 LEU 8 HD13 LEU 8 7.773 15.441 5.328 59 1HD2 LEU 8 HD21 LEU 8 9.224 17.086 3.097 60 2HD2 LEU 8 HD22 LEU 8 7.972 16.731 1.883 61 3HD2 LEU 8 HD23 LEU 8 7.504 17.081 3.546 62 H ILE 9 H ILE 9 9.525 12.028 -0.078 63 HA ILE 9 HA ILE 9 12.343 11.791 -0.330 64 HB ILE 9 HB ILE 9 10.119 10.430 -1.898 65 1HG1 ILE 9 HG12 ILE 9 11.706 9.567 0.572 66 2HG1 ILE 9 HG13 ILE 9 10.001 10.054 0.555 67 1HG2 ILE 9 HG21 ILE 9 12.317 10.286 -3.067 68 2HG2 ILE 9 HG22 ILE 9 13.034 9.630 -1.581 69 3HG2 ILE 9 HG23 ILE 9 11.790 8.724 -2.470 70 1HD1 ILE 9 HD11 ILE 9 11.199 7.536 -0.615 71 2HD1 ILE 9 HD12 ILE 9 9.997 7.709 0.667 72 3HD1 ILE 9 HD13 ILE 9 9.561 8.109 -1.013 73 HA PRO 10 HA PRO 10 12.859 14.820 -3.699 74 1HB PRO 10 HB2 PRO 10 15.222 13.051 -4.357 75 2HB PRO 10 HB3 PRO 10 15.147 14.837 -4.258 76 1HG PRO 10 HG2 PRO 10 16.223 13.390 -2.229 77 2HG PRO 10 HG3 PRO 10 15.146 14.780 -1.875 78 1HD PRO 10 HD2 PRO 10 14.470 11.831 -1.860 79 2HD PRO 10 HD3 PRO 10 14.005 13.114 -0.699 80 H ASP 11 H ASP 11 12.102 14.817 -5.842 81 HA ASP 11 HA ASP 11 10.933 12.294 -6.690 82 1HB ASP 11 HB2 ASP 11 9.809 14.566 -6.654 83 2HB ASP 11 HB3 ASP 11 10.771 14.995 -8.071 84 H VAL 12 H VAL 12 13.400 14.543 -8.030 85 HA VAL 12 HA VAL 12 14.354 12.425 -9.876 86 HB VAL 12 HB VAL 12 13.708 15.287 -10.678 87 1HG1 VAL 12 HG11 VAL 12 14.832 13.029 -12.386 88 2HG1 VAL 12 HG12 VAL 12 14.337 14.639 -12.953 89 3HG1 VAL 12 HG13 VAL 12 15.707 14.488 -11.871 90 1HG2 VAL 12 HG21 VAL 12 12.133 14.219 -12.306 91 2HG2 VAL 12 HG22 VAL 12 12.337 12.688 -11.433 92 3HG2 VAL 12 HG23 VAL 12 11.633 14.103 -10.624 93 H ASP 13 H ASP 13 16.574 12.473 -10.081 94 HA ASP 13 HA ASP 13 18.109 14.869 -9.676 95 1HB ASP 13 HB2 ASP 13 18.029 14.208 -7.310 96 2HB ASP 13 HB3 ASP 13 18.513 12.561 -7.722 97 H ILE 14 H ILE 14 19.397 14.682 -11.471 98 HA ILE 14 HA ILE 14 20.504 12.076 -12.248 99 HB ILE 14 HB ILE 14 19.768 12.374 -14.583 100 1HG1 ILE 14 HG12 ILE 14 17.835 14.518 -13.584 101 2HG1 ILE 14 HG13 ILE 14 19.310 14.848 -14.496 102 1HG2 ILE 14 HG21 ILE 14 17.339 12.193 -12.757 103 2HG2 ILE 14 HG22 ILE 14 17.568 11.435 -14.347 104 3HG2 ILE 14 HG23 ILE 14 18.531 10.899 -12.974 105 1HD1 ILE 14 HD11 ILE 14 17.429 14.902 -15.999 106 2HD1 ILE 14 HD12 ILE 14 18.438 13.496 -16.396 107 3HD1 ILE 14 HD13 ILE 14 16.910 13.285 -15.507 108 H ASP 15 H ASP 15 22.214 12.336 -13.867 109 HA ASP 15 HA ASP 15 23.868 14.674 -13.533 110 1HB ASP 15 HB2 ASP 15 24.791 12.491 -14.115 111 2HB ASP 15 HB3 ASP 15 23.884 12.472 -15.627 112 H SER 16 H SER 16 23.686 16.640 -14.536 113 HA SER 16 HA SER 16 21.331 17.279 -15.882 114 1HB SER 16 HB2 SER 16 23.882 18.928 -15.825 115 2HB SER 16 HB3 SER 16 22.212 19.514 -15.918 116 HG SER 16 HG SER 16 23.085 19.658 -13.794 117 H ASP 17 H ASP 17 24.475 16.408 -17.316 118 HA ASP 17 HA ASP 17 23.447 16.710 -20.063 119 1HB ASP 17 HB2 ASP 17 24.138 19.008 -19.565 120 2HB ASP 17 HB3 ASP 17 25.657 18.452 -18.877 121 H GLY 18 H GLY 18 24.352 15.011 -21.227 122 1HA GLY 18 HA2 GLY 18 26.874 14.269 -21.615 123 2HA GLY 18 HA3 GLY 18 26.603 13.545 -20.026 124 H VAL 19 H VAL 19 27.003 11.541 -21.007 125 HA VAL 19 HA VAL 19 24.639 10.274 -22.271 126 HB VAL 19 HB VAL 19 27.586 9.819 -22.936 127 1HG1 VAL 19 HG11 VAL 19 26.802 8.180 -24.594 128 2HG1 VAL 19 HG12 VAL 19 26.343 7.683 -22.963 129 3HG1 VAL 19 HG13 VAL 19 25.131 8.397 -24.045 130 1HG2 VAL 19 HG21 VAL 19 25.322 10.936 -24.644 131 2HG2 VAL 19 HG22 VAL 19 26.757 11.813 -24.079 132 3HG2 VAL 19 HG23 VAL 19 26.938 10.501 -25.242 133 H PHE 20 H PHE 20 23.844 8.971 -20.671 134 HA PHE 20 HA PHE 20 25.575 7.288 -19.041 135 1HB PHE 20 HB2 PHE 20 24.903 8.225 -16.909 136 2HB PHE 20 HB3 PHE 20 25.781 9.427 -17.828 137 HD1 PHE 20 HD1 PHE 20 22.603 8.593 -16.231 138 HD2 PHE 20 HD2 PHE 20 24.517 11.351 -18.934 139 HE1 PHE 20 HE1 PHE 20 20.719 10.182 -15.947 140 HE2 PHE 20 HE2 PHE 20 22.617 12.923 -18.668 141 HZ PHE 20 HZ PHE 20 20.722 12.345 -17.170 142 H LYS 21 H LYS 21 24.037 6.206 -17.279 143 HA LYS 21 HA LYS 21 21.533 5.449 -18.724 144 1HB LYS 21 HB2 LYS 21 23.609 3.805 -17.235 145 2HB LYS 21 HB3 LYS 21 21.978 3.203 -17.530 146 1HG LYS 21 HG2 LYS 21 22.224 3.077 -19.826 147 2HG LYS 21 HG3 LYS 21 23.463 4.320 -19.899 148 1HD LYS 21 HD2 LYS 21 24.038 1.600 -18.686 149 2HD LYS 21 HD3 LYS 21 24.206 1.959 -20.417 150 1HE LYS 21 HE2 LYS 21 25.688 3.924 -19.818 151 2HE LYS 21 HE3 LYS 21 25.645 3.383 -18.136 152 1HZ LYS 21 HZ1 LYS 21 26.652 1.297 -18.867 153 2HZ LYS 21 HZ2 LYS 21 26.761 1.852 -20.419 154 3HZ LYS 21 HZ3 LYS 21 27.609 2.576 -19.205 155 H TYR 22 H TYR 22 19.735 4.819 -17.415 156 HA TYR 22 HA TYR 22 19.724 5.984 -14.698 157 1HB TYR 22 HB2 TYR 22 18.482 7.779 -15.230 158 2HB TYR 22 HB3 TYR 22 19.056 7.555 -16.863 159 HD1 TYR 22 HD1 TYR 22 17.581 6.214 -18.474 160 HD2 TYR 22 HD2 TYR 22 16.240 7.526 -14.591 161 HE1 TYR 22 HE1 TYR 22 15.300 5.427 -18.997 162 HE2 TYR 22 HE2 TYR 22 13.951 6.729 -15.103 163 HH TYR 22 HH TYR 22 13.244 4.919 -18.088 164 H VAL 23 H VAL 23 17.476 5.602 -13.694 165 HA VAL 23 HA VAL 23 16.118 3.182 -14.645 166 HB VAL 23 HB VAL 23 18.054 2.506 -13.183 167 1HG1 VAL 23 HG11 VAL 23 16.505 3.874 -10.948 168 2HG1 VAL 23 HG12 VAL 23 17.919 2.822 -10.750 169 3HG1 VAL 23 HG13 VAL 23 18.063 4.381 -11.587 170 1HG2 VAL 23 HG21 VAL 23 15.315 1.775 -12.100 171 2HG2 VAL 23 HG22 VAL 23 16.185 1.001 -13.444 172 3HG2 VAL 23 HG23 VAL 23 16.837 0.906 -11.807 173 H LEU 24 H LEU 24 13.996 2.965 -13.698 174 HA LEU 24 HA LEU 24 12.912 5.416 -12.379 175 1HB LEU 24 HB2 LEU 24 12.056 5.047 -14.716 176 2HB LEU 24 HB3 LEU 24 11.552 3.427 -14.251 177 HG LEU 24 HG LEU 24 9.905 4.476 -12.591 178 1HD1 LEU 24 HD11 LEU 24 10.693 7.053 -13.997 179 2HD1 LEU 24 HD12 LEU 24 9.397 6.836 -12.801 180 3HD1 LEU 24 HD13 LEU 24 11.069 6.658 -12.300 181 1HD2 LEU 24 HD21 LEU 24 9.588 5.323 -15.482 182 2HD2 LEU 24 HD22 LEU 24 9.187 3.724 -14.797 183 3HD2 LEU 24 HD23 LEU 24 8.303 5.150 -14.260 184 H ILE 25 H ILE 25 12.531 4.863 -10.203 185 HA ILE 25 HA ILE 25 11.856 2.010 -9.696 186 HB ILE 25 HB ILE 25 13.378 1.651 -8.273 187 1HG1 ILE 25 HG12 ILE 25 13.337 4.380 -6.973 188 2HG1 ILE 25 HG13 ILE 25 12.294 3.041 -6.501 189 1HG2 ILE 25 HG21 ILE 25 14.804 4.221 -9.000 190 2HG2 ILE 25 HG22 ILE 25 15.535 2.719 -8.412 191 3HG2 ILE 25 HG23 ILE 25 14.776 2.734 -10.000 192 1HD1 ILE 25 HD11 ILE 25 15.310 3.096 -6.269 193 2HD1 ILE 25 HD12 ILE 25 14.104 3.079 -4.977 194 3HD1 ILE 25 HD13 ILE 25 14.291 1.652 -6.022 195 H ARG 26 H ARG 26 10.227 1.529 -8.449 196 HA ARG 26 HA ARG 26 8.399 3.658 -7.534 197 1HB ARG 26 HB2 ARG 26 7.535 1.662 -8.721 198 2HB ARG 26 HB3 ARG 26 8.245 0.598 -7.513 199 1HG ARG 26 HG2 ARG 26 6.765 1.312 -5.806 200 2HG ARG 26 HG3 ARG 26 6.271 2.762 -6.690 201 1HD ARG 26 HD2 ARG 26 5.678 -0.048 -7.695 202 2HD ARG 26 HD3 ARG 26 4.579 0.853 -6.629 203 HE ARG 26 HE ARG 26 5.036 2.679 -8.592 204 1HH1 ARG 26 HH21 ARG 26 3.899 -0.698 -8.817 205 2HH1 ARG 26 HH22 ARG 26 2.990 -0.399 -10.252 206 1HH2 ARG 26 HH11 ARG 26 3.917 3.060 -10.313 207 2HH2 ARG 26 HH12 ARG 26 2.983 1.849 -11.178 208 H VAL 27 H VAL 27 8.020 3.949 -5.303 209 HA VAL 27 HA VAL 27 9.532 2.313 -3.376 210 HB VAL 27 HB VAL 27 10.955 4.187 -3.755 211 1HG1 VAL 27 HG11 VAL 27 10.257 6.553 -3.415 212 2HG1 VAL 27 HG12 VAL 27 9.555 5.808 -4.852 213 3HG1 VAL 27 HG13 VAL 27 8.561 6.011 -3.392 214 1HG2 VAL 27 HG21 VAL 27 11.086 5.194 -1.567 215 2HG2 VAL 27 HG22 VAL 27 9.396 4.783 -1.212 216 3HG2 VAL 27 HG23 VAL 27 10.609 3.500 -1.422 217 H HIS 28 H HIS 28 8.424 2.041 -1.443 218 HA HIS 28 HA HIS 28 5.505 2.673 -1.554 219 1HB HIS 28 HB2 HIS 28 6.927 0.385 -0.158 220 2HB HIS 28 HB3 HIS 28 5.200 0.562 -0.447 221 HD1 HIS 28 HD1 HIS 28 4.626 0.536 -3.322 222 HD2 HIS 28 HD2 HIS 28 8.174 -1.156 -1.819 223 HE1 HIS 28 HE1 HIS 28 5.463 -1.092 -5.097 224 H SER 29 H SER 29 4.459 3.370 0.385 225 HA SER 29 HA SER 29 5.964 4.946 2.150 226 1HB SER 29 HB2 SER 29 3.246 3.770 2.735 227 2HB SER 29 HB3 SER 29 3.914 5.266 3.375 228 HG SER 29 HG SER 29 3.481 6.243 1.512 229 H ALA 30 H ALA 30 7.590 3.968 3.320 230 HA ALA 30 HA ALA 30 6.659 2.686 5.747 231 1HB ALA 30 HB1 ALA 30 8.762 1.254 4.073 232 2HB ALA 30 HB2 ALA 30 8.184 0.780 5.676 233 3HB ALA 30 HB3 ALA 30 7.087 0.727 4.296 234 HA PRO 31 HA PRO 31 10.802 5.376 5.903 235 1HB PRO 31 HB2 PRO 31 8.731 7.417 6.731 236 2HB PRO 31 HB3 PRO 31 10.442 7.688 6.252 237 1HG PRO 31 HG2 PRO 31 8.493 7.962 4.388 238 2HG PRO 31 HG3 PRO 31 9.972 7.057 3.975 239 1HD PRO 31 HD2 PRO 31 7.253 5.993 4.755 240 2HD PRO 31 HD3 PRO 31 8.412 5.394 3.530 241 H ARG 32 H ARG 32 11.825 5.091 7.679 242 HA ARG 32 HA ARG 32 12.270 3.765 9.478 243 1HB ARG 32 HB2 ARG 32 11.028 6.205 10.770 244 2HB ARG 32 HB3 ARG 32 12.204 5.131 11.513 245 1HG ARG 32 HG2 ARG 32 12.668 6.976 9.135 246 2HG ARG 32 HG3 ARG 32 13.292 7.171 10.763 247 1HD ARG 32 HD2 ARG 32 14.066 4.951 8.818 248 2HD ARG 32 HD3 ARG 32 15.026 6.377 9.214 249 HE ARG 32 HE ARG 32 14.466 5.098 11.643 250 1HH1 ARG 32 HH21 ARG 32 16.354 4.407 8.677 251 2HH1 ARG 32 HH22 ARG 32 17.426 3.325 9.485 252 1HH2 ARG 32 HH11 ARG 32 15.922 3.662 12.674 253 2HH2 ARG 32 HH12 ARG 32 17.193 2.911 11.790 254 H SER 33 H SER 33 9.930 2.688 8.438 255 HA SER 33 HA SER 33 8.256 1.305 8.903 256 1HB SER 33 HB2 SER 33 9.695 0.838 11.538 257 2HB SER 33 HB3 SER 33 8.630 -0.288 10.681 258 HG SER 33 HG SER 33 10.849 -0.728 10.313 259 H GLY 34 H GLY 34 7.751 4.107 9.642 260 1HA GLY 34 HA2 GLY 34 5.539 3.691 11.615 261 2HA GLY 34 HA3 GLY 34 6.684 5.034 11.757 262 H ALA 35 H ALA 35 5.820 4.080 8.513 263 HA ALA 35 HA ALA 35 4.727 6.629 7.869 264 1HB ALA 35 HB1 ALA 35 5.847 5.139 6.242 265 2HB ALA 35 HB2 ALA 35 4.500 3.979 6.365 266 3HB ALA 35 HB3 ALA 35 4.225 5.598 5.691 267 HA PRO 36 HA PRO 36 0.533 5.950 9.174 268 1HB PRO 36 HB2 PRO 36 -0.827 7.911 7.861 269 2HB PRO 36 HB3 PRO 36 0.431 8.277 9.078 270 1HG PRO 36 HG2 PRO 36 0.751 8.169 6.056 271 2HG PRO 36 HG3 PRO 36 1.241 9.488 7.172 272 1HD PRO 36 HD2 PRO 36 2.998 7.574 6.343 273 2HD PRO 36 HD3 PRO 36 3.058 8.239 8.002 274 H ALA 37 H ALA 37 1.442 5.143 5.969 275 HA ALA 37 HA ALA 37 -1.089 3.793 5.346 276 1HB ALA 37 HB1 ALA 37 0.072 6.017 3.593 277 2HB ALA 37 HB2 ALA 37 -1.372 5.037 3.241 278 3HB ALA 37 HB3 ALA 37 -1.386 6.173 4.598 279 H ALA 38 H ALA 38 -0.660 3.086 2.810 280 HA ALA 38 HA ALA 38 2.108 2.146 2.392 281 1HB ALA 38 HB1 ALA 38 0.993 0.279 3.537 282 2HB ALA 38 HB2 ALA 38 -0.308 0.306 2.320 283 3HB ALA 38 HB3 ALA 38 1.360 -0.098 1.844 284 H GLU 39 H GLU 39 1.421 4.283 1.188 285 HA GLU 39 HA GLU 39 0.080 3.758 -1.381 286 1HB GLU 39 HB2 GLU 39 1.428 6.265 -0.271 287 2HB GLU 39 HB3 GLU 39 0.558 6.161 -1.797 288 1HG GLU 39 HG2 GLU 39 -0.627 5.853 0.989 289 2HG GLU 39 HG3 GLU 39 -0.821 7.220 -0.095 290 H SER 40 H SER 40 1.644 5.005 -3.218 291 HA SER 40 HA SER 40 4.441 4.386 -2.854 292 1HB SER 40 HB2 SER 40 2.982 3.012 -5.134 293 2HB SER 40 HB3 SER 40 4.694 2.876 -4.719 294 HG SER 40 HG SER 40 3.226 2.287 -2.568 295 H LYS 41 H LYS 41 5.724 5.188 -4.648 296 HA LYS 41 HA LYS 41 4.517 6.781 -6.737 297 1HB LYS 41 HB2 LYS 41 5.638 8.905 -6.202 298 2HB LYS 41 HB3 LYS 41 4.419 8.465 -5.038 299 1HG LYS 41 HG2 LYS 41 6.018 9.302 -3.673 300 2HG LYS 41 HG3 LYS 41 6.335 7.579 -3.561 301 1HD LYS 41 HD2 LYS 41 8.425 8.440 -3.609 302 2HD LYS 41 HD3 LYS 41 8.233 8.047 -5.311 303 1HE LYS 41 HE2 LYS 41 7.819 10.809 -4.034 304 2HE LYS 41 HE3 LYS 41 9.325 10.265 -4.769 305 1HZ LYS 41 HZ1 LYS 41 8.101 9.981 -6.875 306 2HZ LYS 41 HZ2 LYS 41 6.770 10.691 -6.184 307 3HZ LYS 41 HZ3 LYS 41 8.163 11.519 -6.411 308 H GLU 42 H GLU 42 6.349 7.677 -8.171 309 HA GLU 42 HA GLU 42 8.577 5.694 -8.171 310 1HB GLU 42 HB2 GLU 42 7.363 7.318 -10.450 311 2HB GLU 42 HB3 GLU 42 8.779 6.283 -10.568 312 1HG GLU 42 HG2 GLU 42 6.997 5.047 -11.465 313 2HG GLU 42 HG3 GLU 42 7.420 4.316 -9.917 314 H ILE 43 H ILE 43 10.690 6.488 -8.775 315 HA ILE 43 HA ILE 43 11.103 9.412 -8.788 316 HB ILE 43 HB ILE 43 13.083 9.139 -7.338 317 1HG1 ILE 43 HG12 ILE 43 12.026 6.372 -6.636 318 2HG1 ILE 43 HG13 ILE 43 13.427 6.676 -7.669 319 1HG2 ILE 43 HG21 ILE 43 10.559 8.242 -5.912 320 2HG2 ILE 43 HG22 ILE 43 11.895 9.200 -5.238 321 3HG2 ILE 43 HG23 ILE 43 10.857 9.903 -6.481 322 1HD1 ILE 43 HD11 ILE 43 14.167 6.107 -5.446 323 2HD1 ILE 43 HD12 ILE 43 14.586 7.797 -5.783 324 3HD1 ILE 43 HD13 ILE 43 13.210 7.404 -4.721 325 H VAL 44 H VAL 44 13.073 10.007 -9.824 326 HA VAL 44 HA VAL 44 14.002 7.987 -11.832 327 HB VAL 44 HB VAL 44 13.747 11.013 -12.074 328 1HG1 VAL 44 HG11 VAL 44 15.430 10.019 -13.607 329 2HG1 VAL 44 HG12 VAL 44 14.186 8.907 -14.223 330 3HG1 VAL 44 HG13 VAL 44 14.034 10.652 -14.483 331 1HG2 VAL 44 HG21 VAL 44 11.475 10.094 -11.915 332 2HG2 VAL 44 HG22 VAL 44 11.822 10.638 -13.556 333 3HG2 VAL 44 HG23 VAL 44 11.863 8.902 -13.177 334 H ARG 45 H ARG 45 16.169 7.521 -11.699 335 HA ARG 45 HA ARG 45 18.056 9.583 -10.701 336 1HB ARG 45 HB2 ARG 45 17.969 6.667 -9.784 337 2HB ARG 45 HB3 ARG 45 19.315 7.754 -9.485 338 1HG ARG 45 HG2 ARG 45 16.502 8.031 -8.364 339 2HG ARG 45 HG3 ARG 45 17.922 7.501 -7.497 340 1HD ARG 45 HD2 ARG 45 18.440 9.557 -6.886 341 2HD ARG 45 HD3 ARG 45 18.629 10.026 -8.570 342 HE ARG 45 HE ARG 45 16.388 10.688 -8.705 343 1HH1 ARG 45 HH22 ARG 45 17.268 9.903 -5.346 344 2HH1 ARG 45 HH21 ARG 45 15.755 10.411 -4.691 345 1HH2 ARG 45 HH11 ARG 45 14.383 11.330 -7.836 346 2HH2 ARG 45 HH12 ARG 45 14.092 11.267 -6.139 347 H GLY 46 H GLY 46 20.137 9.401 -11.703 348 1HA GLY 46 HA2 GLY 46 21.040 7.149 -13.122 349 2HA GLY 46 HA3 GLY 46 20.280 8.242 -14.288 350 H TYR 47 H TYR 47 23.174 7.423 -13.616 351 HA TYR 47 HA TYR 47 24.362 10.112 -13.737 352 1HB TYR 47 HB2 TYR 47 25.222 8.158 -11.575 353 2HB TYR 47 HB3 TYR 47 25.743 9.818 -11.786 354 HD1 TYR 47 HD1 TYR 47 23.120 7.579 -10.529 355 HD2 TYR 47 HD2 TYR 47 24.307 11.699 -10.984 356 HE1 TYR 47 HE1 TYR 47 21.472 8.238 -8.797 357 HE2 TYR 47 HE2 TYR 47 22.652 12.371 -9.270 358 HH TYR 47 HH TYR 47 21.065 11.653 -7.742 359 H LYS 48 H LYS 48 26.627 9.961 -14.398 360 HA LYS 48 HA LYS 48 27.180 7.854 -16.205 361 1HB LYS 48 HB2 LYS 48 28.097 10.190 -16.262 362 2HB LYS 48 HB3 LYS 48 29.173 9.771 -14.919 363 1HG LYS 48 HG2 LYS 48 30.260 8.043 -16.319 364 2HG LYS 48 HG3 LYS 48 29.116 8.375 -17.638 365 1HD LYS 48 HD2 LYS 48 29.983 10.695 -17.801 366 2HD LYS 48 HD3 LYS 48 31.121 10.363 -16.476 367 1HE LYS 48 HE2 LYS 48 32.157 8.549 -17.831 368 2HE LYS 48 HE3 LYS 48 31.030 8.890 -19.150 369 1HZ LYS 48 HZ1 LYS 48 32.015 11.102 -19.332 370 2HZ LYS 48 HZ2 LYS 48 33.056 10.787 -18.111 371 3HZ LYS 48 HZ3 LYS 48 33.161 9.959 -19.509 372 H TRP 49 H TRP 49 28.071 8.190 -12.743 373 HA TRP 49 HA TRP 49 29.987 6.095 -12.778 374 1HB TRP 49 HB2 TRP 49 29.621 6.011 -10.306 375 2HB TRP 49 HB3 TRP 49 30.125 7.537 -10.986 376 HD1 TRP 49 HD1 TRP 49 28.896 9.594 -10.224 377 HE1 TRP 49 HE1 TRP 49 26.835 10.123 -8.825 378 HE3 TRP 49 HE3 TRP 49 26.940 4.865 -9.832 379 HZ2 TRP 49 HZ2 TRP 49 24.590 8.679 -7.675 380 HZ3 TRP 49 HZ3 TRP 49 24.784 4.507 -8.712 381 HH2 TRP 49 HH2 TRP 49 23.570 6.405 -7.644 382 H ALA 50 H ALA 50 26.431 5.904 -12.709 383 HA ALA 50 HA ALA 50 26.543 3.034 -12.078 384 1HB ALA 50 HB1 ALA 50 24.145 3.070 -12.424 385 2HB ALA 50 HB2 ALA 50 24.200 4.812 -12.817 386 3HB ALA 50 HB3 ALA 50 24.665 4.224 -11.193 387 H GLU 51 H GLU 51 28.091 2.667 -13.826 388 HA GLU 51 HA GLU 51 27.348 2.916 -16.563 389 1HB GLU 51 HB2 GLU 51 29.289 1.117 -15.055 390 2HB GLU 51 HB3 GLU 51 29.106 0.973 -16.797 391 1HG GLU 51 HG2 GLU 51 29.856 3.571 -15.400 392 2HG GLU 51 HG3 GLU 51 31.013 2.399 -16.019 393 H TYR 52 H TYR 52 25.918 0.944 -14.176 394 HA TYR 52 HA TYR 52 24.460 -0.519 -16.241 395 1HB TYR 52 HB2 TYR 52 24.469 -2.526 -14.562 396 2HB TYR 52 HB3 TYR 52 25.699 -2.342 -15.793 397 HD1 TYR 52 HD1 TYR 52 27.933 -1.386 -15.220 398 HD2 TYR 52 HD2 TYR 52 25.112 -2.618 -12.221 399 HE1 TYR 52 HE1 TYR 52 29.784 -1.524 -13.550 400 HE2 TYR 52 HE2 TYR 52 26.927 -2.772 -10.544 401 HH TYR 52 HH TYR 52 29.209 -2.507 -10.136 402 H HIS 53 H HIS 53 22.315 -0.656 -15.710 403 HA HIS 53 HA HIS 53 21.256 1.264 -13.974 404 1HB HIS 53 HB2 HIS 53 19.690 -1.148 -14.938 405 2HB HIS 53 HB3 HIS 53 19.108 0.487 -14.648 406 HD1 HIS 53 HD1 HIS 53 19.325 2.181 -16.759 407 HD2 HIS 53 HD2 HIS 53 21.181 -1.587 -17.185 408 HE1 HIS 53 HE1 HIS 53 20.116 2.005 -19.185 409 H ALA 54 H ALA 54 21.918 -2.172 -13.393 410 HA ALA 54 HA ALA 54 20.468 -2.488 -10.980 411 1HB ALA 54 HB1 ALA 54 21.478 -4.368 -12.213 412 2HB ALA 54 HB2 ALA 54 23.108 -3.769 -11.815 413 3HB ALA 54 HB3 ALA 54 22.027 -4.336 -10.528 414 H ASP 55 H ASP 55 23.499 -0.711 -11.608 415 HA ASP 55 HA ASP 55 24.443 -0.754 -8.899 416 1HB ASP 55 HB2 ASP 55 25.767 -0.060 -11.022 417 2HB ASP 55 HB3 ASP 55 24.940 1.469 -10.910 418 H ILE 56 H ILE 56 22.488 1.617 -10.784 419 HA ILE 56 HA ILE 56 22.079 3.325 -8.494 420 HB ILE 56 HB ILE 56 19.979 3.996 -10.070 421 1HG1 ILE 56 HG12 ILE 56 21.960 2.801 -12.020 422 2HG1 ILE 56 HG13 ILE 56 20.206 2.593 -11.898 423 1HG2 ILE 56 HG21 ILE 56 22.787 5.059 -10.322 424 2HG2 ILE 56 HG22 ILE 56 21.271 5.919 -10.693 425 3HG2 ILE 56 HG23 ILE 56 21.610 5.436 -9.041 426 1HD1 ILE 56 HD11 ILE 56 20.744 3.916 -13.820 427 2HD1 ILE 56 HD12 ILE 56 19.990 4.998 -12.624 428 3HD1 ILE 56 HD13 ILE 56 21.755 5.016 -12.871 429 H TYR 57 H TYR 57 20.145 0.602 -9.955 430 HA TYR 57 HA TYR 57 17.926 1.052 -8.257 431 1HB TYR 57 HB2 TYR 57 17.748 -0.546 -10.068 432 2HB TYR 57 HB3 TYR 57 19.010 -1.559 -9.364 433 HD1 TYR 57 HD1 TYR 57 15.825 0.076 -8.102 434 HD2 TYR 57 HD2 TYR 57 18.222 -3.508 -8.323 435 HE1 TYR 57 HE1 TYR 57 14.242 -1.058 -6.614 436 HE2 TYR 57 HE2 TYR 57 16.598 -4.682 -6.873 437 HH TYR 57 HH TYR 57 13.739 -3.065 -5.430 438 H ASP 58 H ASP 58 20.904 -0.927 -7.626 439 HA ASP 58 HA ASP 58 20.113 -1.719 -5.017 440 1HB ASP 58 HB2 ASP 58 21.877 -2.869 -6.238 441 2HB ASP 58 HB3 ASP 58 22.875 -1.410 -6.249 442 H LYS 59 H LYS 59 22.239 1.007 -6.091 443 HA LYS 59 HA LYS 59 22.876 1.971 -3.502 444 1HB LYS 59 HB2 LYS 59 24.125 2.578 -5.434 445 2HB LYS 59 HB3 LYS 59 22.733 3.326 -6.219 446 1HG LYS 59 HG2 LYS 59 22.848 5.258 -4.996 447 2HG LYS 59 HG3 LYS 59 23.503 4.459 -3.545 448 1HD LYS 59 HD2 LYS 59 25.683 4.242 -4.511 449 2HD LYS 59 HD3 LYS 59 25.110 4.780 -6.098 450 1HE LYS 59 HE2 LYS 59 24.508 7.006 -5.071 451 2HE LYS 59 HE3 LYS 59 25.232 6.462 -3.553 452 1HZ LYS 59 HZ1 LYS 59 26.663 6.756 -6.133 453 2HZ LYS 59 HZ2 LYS 59 26.784 7.768 -4.857 454 3HZ LYS 59 HZ3 LYS 59 27.350 6.246 -4.734 455 H VAL 60 H VAL 60 20.228 2.967 -5.735 456 HA VAL 60 HA VAL 60 19.264 5.000 -3.965 457 HB VAL 60 HB VAL 60 17.946 3.684 -6.349 458 1HG1 VAL 60 HG11 VAL 60 17.303 6.274 -4.843 459 2HG1 VAL 60 HG12 VAL 60 16.503 5.702 -6.333 460 3HG1 VAL 60 HG13 VAL 60 16.319 4.817 -4.805 461 1HG2 VAL 60 HG21 VAL 60 20.184 4.928 -6.740 462 2HG2 VAL 60 HG22 VAL 60 18.792 5.517 -7.618 463 3HG2 VAL 60 HG23 VAL 60 19.378 6.375 -6.153 464 H SER 61 H SER 61 18.192 1.556 -4.584 465 HA SER 61 HA SER 61 16.077 1.714 -2.676 466 1HB SER 61 HB2 SER 61 17.703 -0.732 -3.462 467 2HB SER 61 HB3 SER 61 16.103 -0.709 -2.687 468 HG SER 61 HG SER 61 16.880 -0.002 -5.280 469 H GLY 62 H GLY 62 19.601 1.237 -2.255 470 1HA GLY 62 HA2 GLY 62 19.567 0.466 0.487 471 2HA GLY 62 HA3 GLY 62 20.868 1.322 -0.368 472 H ASP 63 H ASP 63 19.780 3.751 -1.071 473 HA ASP 63 HA ASP 63 19.743 5.176 1.387 474 1HB ASP 63 HB2 ASP 63 20.424 6.176 -0.783 475 2HB ASP 63 HB3 ASP 63 18.737 6.159 -1.307 476 H MET 64 H MET 64 17.026 4.368 -0.885 477 HA MET 64 HA MET 64 14.966 5.467 0.697 478 1HB MET 64 HB2 MET 64 14.885 2.957 -1.033 479 2HB MET 64 HB3 MET 64 13.493 3.864 -0.475 480 1HG MET 64 HG2 MET 64 15.558 5.033 -2.351 481 2HG MET 64 HG3 MET 64 14.020 4.337 -2.815 482 1HE MET 64 HE1 MET 64 14.852 8.517 -1.283 483 2HE MET 64 HE2 MET 64 15.726 7.118 -0.635 484 3HE MET 64 HE3 MET 64 15.817 7.497 -2.377 485 H GLN 65 H GLN 65 16.412 2.131 0.976 486 HA GLN 65 HA GLN 65 14.644 1.371 3.080 487 1HB GLN 65 HB2 GLN 65 17.294 0.392 2.007 488 2HB GLN 65 HB3 GLN 65 16.639 -0.321 3.484 489 1HG GLN 65 HG2 GLN 65 14.645 -1.073 2.373 490 2HG GLN 65 HG3 GLN 65 15.055 -0.201 0.889 491 1HE2 GLN 65 HE22 GLN 65 17.226 -0.827 -0.091 492 2HE2 GLN 65 HE21 GLN 65 17.643 -2.541 -0.110 493 H LYS 66 H LYS 66 17.796 3.110 3.140 494 HA LYS 66 HA LYS 66 18.092 3.073 6.000 495 1HB LYS 66 HB2 LYS 66 19.921 3.660 4.555 496 2HB LYS 66 HB3 LYS 66 18.987 4.919 3.779 497 1HG LYS 66 HG2 LYS 66 18.988 6.192 5.997 498 2HG LYS 66 HG3 LYS 66 20.101 4.951 6.600 499 1HD LYS 66 HD2 LYS 66 21.429 6.809 5.821 500 2HD LYS 66 HD3 LYS 66 21.620 5.487 4.648 501 1HE LYS 66 HE2 LYS 66 19.866 6.576 3.205 502 2HE LYS 66 HE3 LYS 66 19.758 7.904 4.357 503 1HZ LYS 66 HZ1 LYS 66 22.270 7.187 2.965 504 2HZ LYS 66 HZ2 LYS 66 21.169 8.224 2.351 505 3HZ LYS 66 HZ3 LYS 66 21.940 8.577 3.771 506 H GLN 67 H GLN 67 16.320 5.307 3.740 507 HA GLN 67 HA GLN 67 15.218 6.905 5.863 508 1HB GLN 67 HB2 GLN 67 14.054 6.375 3.094 509 2HB GLN 67 HB3 GLN 67 13.535 7.610 4.241 510 1HG GLN 67 HG2 GLN 67 15.917 8.540 4.175 511 2HG GLN 67 HG3 GLN 67 16.239 7.413 2.861 512 1HE2 GLN 67 HE22 GLN 67 16.506 8.761 1.064 513 2HE2 GLN 67 HE21 GLN 67 15.319 9.968 0.607 514 H GLY 68 H GLY 68 14.315 3.776 4.531 515 1HA GLY 68 HA2 GLY 68 13.555 2.282 6.408 516 2HA GLY 68 HA3 GLY 68 12.229 3.418 6.641 517 H CYS 69 H CYS 69 12.693 3.461 3.403 518 HA CYS 69 HA CYS 69 10.117 2.332 2.908 519 1HB CYS 69 HB2 CYS 69 12.306 3.354 1.091 520 2HB CYS 69 HB3 CYS 69 10.620 3.122 0.630 521 HG CYS 69 HG CYS 69 11.125 5.678 0.912 522 H ASP 70 H ASP 70 9.950 1.104 0.680 523 HA ASP 70 HA ASP 70 11.976 -0.994 0.266 524 1HB ASP 70 HB2 ASP 70 10.222 -2.117 1.576 525 2HB ASP 70 HB3 ASP 70 8.976 -1.474 0.496 526 H CYS 71 H CYS 71 11.916 -1.644 -2.077 527 HA CYS 71 HA CYS 71 10.490 0.265 -3.820 528 1HB CYS 71 HB2 CYS 71 13.542 0.059 -3.822 529 2HB CYS 71 HB3 CYS 71 12.525 1.171 -4.743 530 HG CYS 71 HG CYS 71 11.409 1.885 -2.219 531 H GLU 72 H GLU 72 10.946 -0.081 -6.173 532 HA GLU 72 HA GLU 72 12.168 -2.641 -6.958 533 1HB GLU 72 HB2 GLU 72 9.907 -3.317 -6.381 534 2HB GLU 72 HB3 GLU 72 9.208 -1.962 -7.281 535 1HG GLU 72 HG2 GLU 72 9.955 -2.866 -9.381 536 2HG GLU 72 HG3 GLU 72 10.929 -4.102 -8.575 537 H CYS 73 H CYS 73 13.261 -2.231 -8.889 538 HA CYS 73 HA CYS 73 12.930 0.256 -10.348 539 1HB CYS 73 HB2 CYS 73 14.382 -1.051 -12.043 540 2HB CYS 73 HB3 CYS 73 15.109 -0.608 -10.502 541 HG CYS 73 HG CYS 73 15.803 -3.062 -11.400 542 H LEU 74 H LEU 74 11.211 0.649 -11.636 543 HA LEU 74 HA LEU 74 9.410 -1.476 -12.541 544 1HB LEU 74 HB2 LEU 74 9.608 1.485 -13.268 545 2HB LEU 74 HB3 LEU 74 8.336 0.388 -13.793 546 HG LEU 74 HG LEU 74 8.884 1.283 -10.935 547 1HD1 LEU 74 HD11 LEU 74 6.531 1.763 -12.816 548 2HD1 LEU 74 HD12 LEU 74 6.670 2.343 -11.145 549 3HD1 LEU 74 HD13 LEU 74 7.784 2.946 -12.385 550 1HD2 LEU 74 HD21 LEU 74 6.765 0.050 -10.365 551 2HD2 LEU 74 HD22 LEU 74 6.808 -0.700 -11.973 552 3HD2 LEU 74 HD23 LEU 74 8.100 -1.017 -10.789 553 H GLY 75 H GLY 75 12.202 0.302 -13.759 554 1HA GLY 75 HA2 GLY 75 13.098 -1.496 -15.627 555 2HA GLY 75 HA3 GLY 75 11.988 -0.442 -16.522 556 H GLY 76 H GLY 76 14.069 0.244 -17.618 557 1HA GLY 76 HA2 GLY 76 14.732 2.844 -16.635 558 2HA GLY 76 HA3 GLY 76 16.118 1.756 -16.451 559 H GLY 77 H GLY 77 17.087 3.265 -18.040 560 1HA GLY 77 HA2 GLY 77 17.091 2.311 -20.731 561 2HA GLY 77 HA3 GLY 77 16.117 3.785 -20.604 562 H ARG 78 H ARG 78 17.836 4.772 -21.959 563 HA ARG 78 HA ARG 78 20.238 5.541 -20.377 564 1HB ARG 78 HB2 ARG 78 20.725 3.812 -22.110 565 2HB ARG 78 HB3 ARG 78 20.148 4.928 -23.362 566 1HG ARG 78 HG2 ARG 78 21.981 6.482 -22.854 567 2HG ARG 78 HG3 ARG 78 22.418 5.533 -21.431 568 1HD ARG 78 HD2 ARG 78 24.010 5.060 -23.139 569 2HD ARG 78 HD3 ARG 78 23.033 3.619 -22.864 570 HE ARG 78 HE ARG 78 22.638 5.572 -25.106 571 1HH1 ARG 78 HH21 ARG 78 22.638 2.150 -24.060 572 2HH1 ARG 78 HH22 ARG 78 22.135 1.570 -25.625 573 1HH2 ARG 78 HH11 ARG 78 22.027 4.786 -27.085 574 2HH2 ARG 78 HH12 ARG 78 21.852 3.063 -27.379 575 H ILE 79 H ILE 79 21.086 7.639 -20.978 576 HA ILE 79 HA ILE 79 19.128 9.476 -22.210 577 HB ILE 79 HB ILE 79 20.567 9.795 -19.534 578 1HG1 ILE 79 HG12 ILE 79 17.615 9.595 -20.284 579 2HG1 ILE 79 HG13 ILE 79 18.549 8.432 -19.346 580 1HG2 ILE 79 HG21 ILE 79 19.580 12.048 -19.419 581 2HG2 ILE 79 HG22 ILE 79 20.586 11.922 -20.849 582 3HG2 ILE 79 HG23 ILE 79 18.815 11.823 -21.004 583 1HD1 ILE 79 HD11 ILE 79 17.137 9.638 -17.843 584 2HD1 ILE 79 HD12 ILE 79 18.810 10.136 -17.533 585 3HD1 ILE 79 HD13 ILE 79 17.703 11.203 -18.435 586 H SER 80 H SER 80 20.152 10.688 -23.732 587 HA SER 80 HA SER 80 23.072 11.061 -23.683 588 1HB SER 80 HB2 SER 80 21.760 9.639 -26.037 589 2HB SER 80 HB3 SER 80 23.480 9.931 -25.761 590 HG SER 80 HG SER 80 22.909 8.600 -23.710 591 H HIS 81 H HIS 81 23.002 13.280 -23.891 592 HA HIS 81 HA HIS 81 22.091 14.364 -26.385 593 1HB HIS 81 HB2 HIS 81 19.995 14.197 -24.639 594 2HB HIS 81 HB3 HIS 81 20.709 15.708 -24.084 595 HD1 HIS 81 HD1 HIS 81 19.688 17.777 -25.422 596 HD2 HIS 81 HD2 HIS 81 19.628 14.094 -27.492 597 HE1 HIS 81 HE1 HIS 81 18.639 18.233 -27.677 598 H GLN 82 H GLN 82 22.204 16.930 -26.123 599 HA GLN 82 HA GLN 82 24.402 17.677 -24.259 600 1HB GLN 82 HB2 GLN 82 24.006 18.666 -27.115 601 2HB GLN 82 HB3 GLN 82 25.062 19.400 -25.909 602 1HG GLN 82 HG2 GLN 82 26.493 18.073 -27.218 603 2HG GLN 82 HG3 GLN 82 26.287 17.195 -25.711 604 1HE2 GLN 82 HE22 GLN 82 26.000 14.988 -26.033 605 2HE2 GLN 82 HE21 GLN 82 25.328 14.263 -27.473 606 H SER 83 H SER 83 22.900 18.246 -22.701 607 HA SER 83 HA SER 83 20.679 20.014 -23.052 608 1HB SER 83 HB2 SER 83 22.319 19.924 -20.541 609 2HB SER 83 HB3 SER 83 20.561 19.941 -20.739 610 HG SER 83 HG SER 83 21.508 17.949 -19.987 611 H GLN 84 H GLN 84 24.180 20.411 -22.752 612 HA GLN 84 HA GLN 84 24.394 23.189 -22.343 613 1HB GLN 84 HB2 GLN 84 26.035 21.260 -24.037 614 2HB GLN 84 HB3 GLN 84 26.483 22.952 -23.799 615 1HG GLN 84 HG2 GLN 84 26.618 22.628 -21.367 616 2HG GLN 84 HG3 GLN 84 26.128 20.947 -21.537 617 1HE2 GLN 84 HE22 GLN 84 27.785 19.408 -21.798 618 2HE2 GLN 84 HE21 GLN 84 29.432 19.827 -22.237 619 H ASP 85 H ASP 85 23.254 21.459 -25.251 620 HA ASP 85 HA ASP 85 23.126 24.008 -26.777 621 1HB ASP 85 HB2 ASP 85 23.825 22.098 -28.089 622 2HB ASP 85 HB3 ASP 85 22.428 21.159 -27.567 623 H LYS 86 H LYS 86 20.766 21.312 -26.219 624 HA LYS 86 HA LYS 86 18.913 22.974 -24.743 625 1HB LYS 86 HB2 LYS 86 18.311 22.075 -27.606 626 2HB LYS 86 HB3 LYS 86 17.031 22.393 -26.463 627 1HG LYS 86 HG2 LYS 86 18.976 24.556 -27.370 628 2HG LYS 86 HG3 LYS 86 17.502 24.137 -28.189 629 1HD LYS 86 HD2 LYS 86 16.948 26.009 -26.911 630 2HD LYS 86 HD3 LYS 86 16.167 24.636 -26.160 631 1HE LYS 86 HE2 LYS 86 16.976 26.125 -24.462 632 2HE LYS 86 HE3 LYS 86 17.896 24.629 -24.365 633 1HZ LYS 86 HZ1 LYS 86 18.848 27.113 -25.687 634 2HZ LYS 86 HZ2 LYS 86 19.278 26.631 -24.189 635 3HZ LYS 86 HZ3 LYS 86 19.724 25.732 -25.475 636 H LYS 87 H LYS 87 17.479 21.659 -23.692 637 HA LYS 87 HA LYS 87 16.633 19.871 -22.668 638 1HB LYS 87 HB2 LYS 87 15.081 18.644 -23.972 639 2HB LYS 87 HB3 LYS 87 15.167 20.265 -24.640 640 1HG LYS 87 HG2 LYS 87 16.455 19.487 -26.519 641 2HG LYS 87 HG3 LYS 87 16.673 17.881 -25.770 642 1HD LYS 87 HD2 LYS 87 14.260 17.460 -25.928 643 2HD LYS 87 HD3 LYS 87 14.024 19.049 -26.700 644 1HE LYS 87 HE2 LYS 87 15.502 18.385 -28.564 645 2HE LYS 87 HE3 LYS 87 15.856 16.846 -27.764 646 1HZ LYS 87 HZ1 LYS 87 14.182 16.565 -29.462 647 2HZ LYS 87 HZ2 LYS 87 13.539 16.244 -27.988 648 3HZ LYS 87 HZ3 LYS 87 13.191 17.658 -28.761 649 H ILE 88 H ILE 88 16.186 17.347 -22.828 650 HA ILE 88 HA ILE 88 18.651 15.923 -23.475 651 HB ILE 88 HB ILE 88 17.467 14.846 -21.010 652 1HG1 ILE 88 HG12 ILE 88 18.905 17.520 -20.713 653 2HG1 ILE 88 HG13 ILE 88 17.197 17.255 -20.394 654 1HG2 ILE 88 HG21 ILE 88 19.805 14.506 -20.437 655 2HG2 ILE 88 HG22 ILE 88 19.589 14.103 -22.134 656 3HG2 ILE 88 HG23 ILE 88 20.324 15.656 -21.682 657 1HD1 ILE 88 HD11 ILE 88 18.325 17.261 -18.299 658 2HD1 ILE 88 HD12 ILE 88 17.793 15.598 -18.619 659 3HD1 ILE 88 HD13 ILE 88 19.504 16.056 -18.831 660 H HIS 89 H HIS 89 18.046 13.369 -23.307 661 HA HIS 89 HA HIS 89 15.279 13.002 -24.258 662 1HB HIS 89 HB2 HIS 89 16.816 13.556 -26.205 663 2HB HIS 89 HB3 HIS 89 17.703 12.076 -25.846 664 HD1 HIS 89 HD1 HIS 89 15.962 9.747 -25.986 665 HD2 HIS 89 HD2 HIS 89 14.862 13.339 -27.883 666 HE1 HIS 89 HE1 HIS 89 14.159 9.148 -27.670 667 H VAL 90 H VAL 90 14.483 10.991 -23.723 668 HA VAL 90 HA VAL 90 16.286 9.141 -22.214 669 HB VAL 90 HB VAL 90 13.299 9.601 -21.815 670 1HG1 VAL 90 HG11 VAL 90 14.252 7.455 -20.972 671 2HG1 VAL 90 HG12 VAL 90 15.396 8.366 -19.971 672 3HG1 VAL 90 HG13 VAL 90 13.649 8.488 -19.666 673 1HG2 VAL 90 HG21 VAL 90 15.573 10.924 -20.273 674 2HG2 VAL 90 HG22 VAL 90 14.316 11.737 -21.236 675 3HG2 VAL 90 HG23 VAL 90 13.873 10.890 -19.756 676 H TYR 91 H TYR 91 16.305 6.986 -23.013 677 HA TYR 91 HA TYR 91 14.198 6.041 -24.799 678 1HB TYR 91 HB2 TYR 91 15.461 6.009 -26.810 679 2HB TYR 91 HB3 TYR 91 15.484 7.644 -26.237 680 HD1 TYR 91 HD1 TYR 91 17.435 5.243 -27.757 681 HD2 TYR 91 HD2 TYR 91 17.683 8.137 -24.559 682 HE1 TYR 91 HE1 TYR 91 19.892 5.270 -27.967 683 HE2 TYR 91 HE2 TYR 91 20.114 8.103 -24.701 684 HH TYR 91 HH TYR 91 21.951 7.394 -25.882 685 H GLY 92 H GLY 92 15.182 3.959 -25.994 686 1HA GLY 92 HA2 GLY 92 16.199 1.906 -25.859 687 2HA GLY 92 HA3 GLY 92 17.315 2.568 -24.657 688 H TYR 93 H TYR 93 17.151 0.558 -23.534 689 HA TYR 93 HA TYR 93 14.915 0.381 -21.652 690 1HB TYR 93 HB2 TYR 93 14.727 -2.048 -22.017 691 2HB TYR 93 HB3 TYR 93 14.231 -1.153 -23.440 692 HD1 TYR 93 HD1 TYR 93 15.737 -1.104 -25.479 693 HD2 TYR 93 HD2 TYR 93 16.546 -3.625 -22.067 694 HE1 TYR 93 HE1 TYR 93 17.280 -2.456 -26.849 695 HE2 TYR 93 HE2 TYR 93 18.081 -4.991 -23.433 696 HH TYR 93 HH TYR 93 19.046 -5.305 -25.535 697 H SER 94 H SER 94 15.623 -0.777 -19.679 698 HA SER 94 HA SER 94 18.445 -0.413 -19.240 699 1HB SER 94 HB2 SER 94 18.087 -1.355 -17.016 700 2HB SER 94 HB3 SER 94 16.970 -0.049 -17.377 701 HG SER 94 HG SER 94 15.362 -1.681 -17.791 702 H MET 95 H MET 95 20.072 -1.806 -19.408 703 HA MET 95 HA MET 95 19.720 -4.441 -20.562 704 1HB MET 95 HB2 MET 95 22.191 -3.053 -19.423 705 2HB MET 95 HB3 MET 95 22.194 -4.512 -20.424 706 1HG MET 95 HG2 MET 95 21.223 -1.764 -21.295 707 2HG MET 95 HG3 MET 95 22.758 -2.503 -21.724 708 1HE MET 95 HE1 MET 95 20.414 -2.304 -24.995 709 2HE MET 95 HE2 MET 95 20.216 -1.261 -23.571 710 3HE MET 95 HE3 MET 95 21.844 -1.609 -24.199 711 H ALA 96 H ALA 96 18.297 -4.223 -18.102 712 HA ALA 96 HA ALA 96 19.434 -6.370 -16.496 713 1HB ALA 96 HB1 ALA 96 19.358 -5.085 -14.374 714 2HB ALA 96 HB2 ALA 96 20.571 -4.424 -15.485 715 3HB ALA 96 HB3 ALA 96 19.008 -3.599 -15.279 716 H TYR 97 H TYR 97 16.834 -3.834 -16.823 717 HA TYR 97 HA TYR 97 14.892 -5.813 -15.737 718 1HB TYR 97 HB2 TYR 97 14.925 -2.834 -15.189 719 2HB TYR 97 HB3 TYR 97 13.934 -4.056 -14.414 720 HD1 TYR 97 HD1 TYR 97 15.394 -6.045 -13.257 721 HD2 TYR 97 HD2 TYR 97 16.750 -2.011 -13.973 722 HE1 TYR 97 HE1 TYR 97 17.101 -6.316 -11.489 723 HE2 TYR 97 HE2 TYR 97 18.446 -2.262 -12.183 724 HH TYR 97 HH TYR 97 18.846 -5.327 -10.333 725 H GLY 98 H GLY 98 15.596 -4.149 -18.558 726 1HA GLY 98 HA2 GLY 98 14.258 -4.069 -20.460 727 2HA GLY 98 HA3 GLY 98 12.825 -4.429 -19.494 728 HA PRO 99 HA PRO 99 13.051 0.112 -20.607 729 1HB PRO 99 HB2 PRO 99 10.688 0.383 -21.968 730 2HB PRO 99 HB3 PRO 99 12.199 -0.178 -22.737 731 1HG PRO 99 HG2 PRO 99 9.893 -1.849 -21.707 732 2HG PRO 99 HG3 PRO 99 10.780 -2.014 -23.254 733 1HD PRO 99 HD2 PRO 99 11.320 -3.555 -21.045 734 2HD PRO 99 HD3 PRO 99 12.591 -3.077 -22.207 735 H ALA 100 H ALA 100 12.317 1.629 -19.239 736 HA ALA 100 HA ALA 100 10.262 1.054 -17.218 737 1HB ALA 100 HB1 ALA 100 11.719 3.594 -18.048 738 2HB ALA 100 HB2 ALA 100 10.751 3.422 -16.582 739 3HB ALA 100 HB3 ALA 100 12.256 2.522 -16.741 740 H GLN 101 H GLN 101 8.547 2.816 -16.955 741 HA GLN 101 HA GLN 101 7.089 3.385 -19.457 742 1HB GLN 101 HB2 GLN 101 6.580 3.963 -16.499 743 2HB GLN 101 HB3 GLN 101 5.595 4.656 -17.799 744 1HG GLN 101 HG2 GLN 101 4.913 2.487 -18.574 745 2HG GLN 101 HG3 GLN 101 5.982 1.670 -17.419 746 1HE2 GLN 101 HE22 GLN 101 3.040 3.728 -17.689 747 2HE2 GLN 101 HE21 GLN 101 2.397 3.304 -16.125 748 H HIS 102 H HIS 102 8.993 4.538 -20.362 749 HA HIS 102 HA HIS 102 10.294 6.663 -19.129 750 1HB HIS 102 HB2 HIS 102 9.802 6.014 -22.041 751 2HB HIS 102 HB3 HIS 102 10.885 7.322 -21.531 752 HD1 HIS 102 HD1 HIS 102 11.129 3.738 -22.361 753 HD2 HIS 102 HD2 HIS 102 12.669 6.329 -19.434 754 HE1 HIS 102 HE1 HIS 102 13.137 2.553 -21.325 755 H ALA 103 H ALA 103 7.079 6.750 -20.401 756 HA ALA 103 HA ALA 103 6.752 9.557 -20.741 757 1HB ALA 103 HB1 ALA 103 4.821 7.411 -19.730 758 2HB ALA 103 HB2 ALA 103 4.367 9.059 -20.224 759 3HB ALA 103 HB3 ALA 103 5.044 7.938 -21.417 760 H ILE 104 H ILE 104 6.826 7.476 -17.783 761 HA ILE 104 HA ILE 104 6.082 9.555 -15.921 762 HB ILE 104 HB ILE 104 7.825 7.088 -15.489 763 1HG1 ILE 104 HG12 ILE 104 5.548 6.476 -16.326 764 2HG1 ILE 104 HG13 ILE 104 5.946 5.860 -14.725 765 1HG2 ILE 104 HG21 ILE 104 6.432 8.926 -13.504 766 2HG2 ILE 104 HG22 ILE 104 7.088 7.329 -13.084 767 3HG2 ILE 104 HG23 ILE 104 8.164 8.608 -13.665 768 1HD1 ILE 104 HD11 ILE 104 4.560 7.478 -13.647 769 2HD1 ILE 104 HD12 ILE 104 4.330 8.412 -15.156 770 3HD1 ILE 104 HD13 ILE 104 3.611 6.782 -14.973 771 H SER 105 H SER 105 9.244 8.188 -17.071 772 HA SER 105 HA SER 105 10.876 9.696 -15.450 773 1HB SER 105 HB2 SER 105 11.450 8.787 -18.303 774 2HB SER 105 HB3 SER 105 12.615 9.046 -17.000 775 HG SER 105 HG SER 105 12.116 6.834 -17.001 776 H THR 106 H THR 106 9.805 10.461 -18.785 777 HA THR 106 HA THR 106 10.976 13.068 -18.784 778 HB THR 106 HB THR 106 9.349 13.453 -20.730 779 HG1 THR 106 HG1 THR 106 9.009 10.631 -20.481 780 1HG2 THR 106 HG21 THR 106 11.265 11.091 -20.899 781 2HG2 THR 106 HG22 THR 106 10.723 12.157 -22.224 782 3HG2 THR 106 HG23 THR 106 11.742 12.800 -20.933 783 H GLU 107 H GLU 107 7.578 12.057 -17.932 784 HA GLU 107 HA GLU 107 6.615 14.677 -17.559 785 1HB GLU 107 HB2 GLU 107 5.861 11.974 -16.344 786 2HB GLU 107 HB3 GLU 107 5.117 13.443 -15.749 787 1HG GLU 107 HG2 GLU 107 5.108 12.710 -18.703 788 2HG GLU 107 HG3 GLU 107 3.845 12.235 -17.571 789 H LYS 108 H LYS 108 8.299 12.536 -15.226 790 HA LYS 108 HA LYS 108 8.138 14.442 -13.071 791 1HB LYS 108 HB2 LYS 108 9.834 11.948 -13.532 792 2HB LYS 108 HB3 LYS 108 9.917 12.941 -12.065 793 1HG LYS 108 HG2 LYS 108 7.434 12.701 -11.820 794 2HG LYS 108 HG3 LYS 108 7.449 11.494 -13.105 795 1HD LYS 108 HD2 LYS 108 8.826 9.992 -11.810 796 2HD LYS 108 HD3 LYS 108 9.179 11.229 -10.598 797 1HE LYS 108 HE2 LYS 108 6.402 10.096 -11.168 798 2HE LYS 108 HE3 LYS 108 7.461 9.587 -9.846 799 1HZ LYS 108 HZ1 LYS 108 7.408 11.881 -9.009 800 2HZ LYS 108 HZ2 LYS 108 6.381 12.323 -10.194 801 3HZ LYS 108 HZ3 LYS 108 5.875 11.247 -9.080 802 H ILE 109 H ILE 109 10.749 13.708 -15.473 803 HA ILE 109 HA ILE 109 12.582 15.591 -14.367 804 HB ILE 109 HB ILE 109 12.240 14.449 -17.156 805 1HG1 ILE 109 HG12 ILE 109 14.535 14.071 -15.176 806 2HG1 ILE 109 HG13 ILE 109 13.101 13.053 -15.120 807 1HG2 ILE 109 HG21 ILE 109 14.435 16.318 -16.152 808 2HG2 ILE 109 HG22 ILE 109 14.520 15.413 -17.655 809 3HG2 ILE 109 HG23 ILE 109 13.294 16.662 -17.462 810 1HD1 ILE 109 HD11 ILE 109 14.813 11.903 -16.378 811 2HD1 ILE 109 HD12 ILE 109 13.518 12.361 -17.498 812 3HD1 ILE 109 HD13 ILE 109 15.042 13.275 -17.463 813 H LYS 110 H LYS 110 9.927 16.070 -16.824 814 HA LYS 110 HA LYS 110 10.497 18.853 -17.153 815 1HB LYS 110 HB2 LYS 110 7.952 17.219 -17.524 816 2HB LYS 110 HB3 LYS 110 8.034 18.955 -17.861 817 1HG LYS 110 HG2 LYS 110 9.840 18.618 -19.481 818 2HG LYS 110 HG3 LYS 110 9.856 16.879 -19.145 819 1HD LYS 110 HD2 LYS 110 7.562 16.650 -19.989 820 2HD LYS 110 HD3 LYS 110 7.478 18.405 -20.287 821 1HE LYS 110 HE2 LYS 110 9.397 18.236 -21.855 822 2HE LYS 110 HE3 LYS 110 9.516 16.503 -21.540 823 1HZ LYS 110 HZ1 LYS 110 8.342 16.927 -23.576 824 2HZ LYS 110 HZ2 LYS 110 7.299 16.247 -22.522 825 3HZ LYS 110 HZ3 LYS 110 7.213 17.850 -22.837 826 H ALA 111 H ALA 111 8.364 17.166 -14.779 827 HA ALA 111 HA ALA 111 7.306 19.528 -13.633 828 1HB ALA 111 HB1 ALA 111 6.715 18.090 -11.726 829 2HB ALA 111 HB2 ALA 111 6.358 17.279 -13.263 830 3HB ALA 111 HB3 ALA 111 7.795 16.814 -12.322 831 H LYS 112 H LYS 112 10.181 17.575 -12.619 832 HA LYS 112 HA LYS 112 10.826 19.370 -10.451 833 1HB LYS 112 HB2 LYS 112 11.345 16.927 -10.586 834 2HB LYS 112 HB3 LYS 112 12.579 17.258 -11.795 835 1HG LYS 112 HG2 LYS 112 12.684 18.734 -9.149 836 2HG LYS 112 HG3 LYS 112 13.075 17.020 -9.157 837 1HD LYS 112 HD2 LYS 112 14.827 17.375 -10.853 838 2HD LYS 112 HD3 LYS 112 14.519 19.110 -10.853 839 1HE LYS 112 HE2 LYS 112 15.401 17.468 -8.435 840 2HE LYS 112 HE3 LYS 112 16.482 18.405 -9.465 841 1HZ LYS 112 HZ1 LYS 112 15.899 19.648 -7.504 842 2HZ LYS 112 HZ2 LYS 112 15.280 20.414 -8.799 843 3HZ LYS 112 HZ3 LYS 112 14.305 19.548 -7.808 844 H TYR 113 H TYR 113 11.737 19.196 -13.840 845 HA TYR 113 HA TYR 113 13.000 20.350 -15.200 846 1HB TYR 113 HB2 TYR 113 11.222 22.037 -14.324 847 2HB TYR 113 HB3 TYR 113 12.575 22.862 -13.592 848 HD1 TYR 113 HD1 TYR 113 14.238 24.031 -15.051 849 HD2 TYR 113 HD2 TYR 113 10.951 21.797 -16.734 850 HE1 TYR 113 HE1 TYR 113 14.599 25.145 -17.236 851 HE2 TYR 113 HE2 TYR 113 11.300 22.903 -18.917 852 HH TYR 113 HH TYR 113 12.519 24.500 -20.100 853 HA PRO 114 HA PRO 114 16.574 20.022 -12.211 854 1HB PRO 114 HB2 PRO 114 17.995 18.008 -13.454 855 2HB PRO 114 HB3 PRO 114 16.649 17.708 -12.319 856 1HG PRO 114 HG2 PRO 114 16.560 17.764 -15.340 857 2HG PRO 114 HG3 PRO 114 15.858 16.549 -14.222 858 1HD PRO 114 HD2 PRO 114 14.365 18.561 -15.296 859 2HD PRO 114 HD3 PRO 114 14.091 17.984 -13.622 860 H ASP 115 H ASP 115 16.420 20.437 -15.705 861 HA ASP 115 HA ASP 115 18.494 22.474 -15.531 862 1HB ASP 115 HB2 ASP 115 19.902 20.485 -15.950 863 2HB ASP 115 HB3 ASP 115 18.938 20.089 -17.374 864 H TYR 116 H TYR 116 16.475 20.492 -17.820 865 HA TYR 116 HA TYR 116 15.241 22.887 -18.877 866 1HB TYR 116 HB2 TYR 116 17.558 22.529 -20.069 867 2HB TYR 116 HB3 TYR 116 16.765 21.192 -20.870 868 HD1 TYR 116 HD1 TYR 116 15.293 21.676 -22.780 869 HD2 TYR 116 HD2 TYR 116 16.601 24.867 -20.192 870 HE1 TYR 116 HE1 TYR 116 14.330 23.327 -24.347 871 HE2 TYR 116 HE2 TYR 116 15.627 26.529 -21.742 872 HH TYR 116 HH TYR 116 14.426 26.866 -23.718 873 H GLU 117 H GLU 117 14.000 21.976 -21.018 874 HA GLU 117 HA GLU 117 12.051 20.040 -20.324 875 1HB GLU 117 HB2 GLU 117 12.038 21.937 -22.076 876 2HB GLU 117 HB3 GLU 117 12.952 20.843 -23.130 877 1HG GLU 117 HG2 GLU 117 11.077 19.293 -23.211 878 2HG GLU 117 HG3 GLU 117 10.228 20.187 -21.943 879 H VAL 118 H VAL 118 11.685 18.009 -21.744 880 HA VAL 118 HA VAL 118 14.056 16.729 -22.800 881 HB VAL 118 HB VAL 118 13.419 14.568 -21.567 882 1HG1 VAL 118 HG11 VAL 118 14.606 16.706 -19.781 883 2HG1 VAL 118 HG12 VAL 118 14.945 14.950 -19.811 884 3HG1 VAL 118 HG13 VAL 118 15.441 15.978 -21.157 885 1HG2 VAL 118 HG21 VAL 118 11.261 15.324 -20.595 886 2HG2 VAL 118 HG22 VAL 118 12.405 14.714 -19.391 887 3HG2 VAL 118 HG23 VAL 118 12.149 16.459 -19.550 888 H THR 119 H THR 119 13.468 14.657 -23.892 889 HA THR 119 HA THR 119 10.624 14.317 -24.585 890 HB THR 119 HB THR 119 11.490 13.920 -27.022 891 HG1 THR 119 HG1 THR 119 13.754 14.353 -26.260 892 1HG2 THR 119 HG21 THR 119 11.052 16.216 -27.650 893 2HG2 THR 119 HG22 THR 119 9.976 15.797 -26.310 894 3HG2 THR 119 HG23 THR 119 11.416 16.797 -26.009 895 H TRP 120 H TRP 120 10.476 12.075 -25.869 896 HA TRP 120 HA TRP 120 12.660 10.288 -25.204 897 1HB TRP 120 HB2 TRP 120 11.367 8.641 -24.033 898 2HB TRP 120 HB3 TRP 120 11.233 10.139 -23.160 899 HD1 TRP 120 HD1 TRP 120 8.761 11.497 -23.956 900 HE1 TRP 120 HE1 TRP 120 6.424 10.469 -23.839 901 HE3 TRP 120 HE3 TRP 120 10.054 6.577 -24.403 902 HZ2 TRP 120 HZ2 TRP 120 5.254 7.818 -23.947 903 HZ3 TRP 120 HZ3 TRP 120 8.314 4.817 -24.331 904 HH2 TRP 120 HH2 TRP 120 5.914 5.420 -24.116 905 H ALA 121 H ALA 121 12.145 8.036 -26.025 906 HA ALA 121 HA ALA 121 10.086 7.885 -28.058 907 1HB ALA 121 HB1 ALA 121 13.025 7.304 -28.740 908 2HB ALA 121 HB2 ALA 121 11.635 6.971 -29.790 909 3HB ALA 121 HB3 ALA 121 12.060 8.649 -29.399 910 H ASN 122 H ASN 122 9.427 5.717 -28.301 911 HA ASN 122 HA ASN 122 10.056 4.071 -25.977 912 1HB ASN 122 HB2 ASN 122 7.720 4.624 -26.740 913 2HB ASN 122 HB3 ASN 122 8.006 3.654 -28.186 914 1HD2 ASN 122 HD22 ASN 122 6.423 2.029 -27.701 915 2HD2 ASN 122 HD21 ASN 122 6.576 0.953 -26.339 916 H ASP 123 H ASP 123 12.277 4.143 -27.719 917 HA ASP 123 HA ASP 123 12.653 1.345 -28.340 918 1HB ASP 123 HB2 ASP 123 11.536 2.505 -30.450 919 2HB ASP 123 HB3 ASP 123 13.137 3.239 -30.636 920 H GLY 124 H GLY 124 14.939 1.227 -29.410 921 1HA GLY 124 HA2 GLY 124 17.027 2.675 -29.684 922 2HA GLY 124 HA3 GLY 124 16.842 3.038 -27.964 923 H TYR 125 H TYR 125 19.170 1.906 -28.840 924 HA TYR 125 HA TYR 125 19.265 -0.605 -27.346 925 1HB TYR 125 HB2 TYR 125 20.378 -0.284 -30.177 926 2HB TYR 125 HB3 TYR 125 20.813 -1.570 -29.069 927 HD1 TYR 125 HD1 TYR 125 19.186 -3.342 -28.441 928 HD2 TYR 125 HD2 TYR 125 18.254 -0.344 -31.401 929 HE1 TYR 125 HE1 TYR 125 17.300 -4.729 -29.237 930 HE2 TYR 125 HE2 TYR 125 16.361 -1.725 -32.211 931 HH TYR 125 HH TYR 125 15.539 -4.911 -30.754 Start of MODEL 19 1 1H MET 1 H1 MET 1 13.247 8.617 18.954 2 2H MET 1 H2 MET 1 14.194 9.196 17.750 3 3H MET 1 H3 MET 1 13.177 10.204 18.536 4 HA MET 1 HA MET 1 12.394 7.959 16.821 5 1HB MET 1 HB2 MET 1 10.841 8.348 18.721 6 2HB MET 1 HB3 MET 1 10.590 10.012 18.194 7 1HG MET 1 HG2 MET 1 10.013 7.603 16.424 8 2HG MET 1 HG3 MET 1 8.848 8.237 17.576 9 1HE MET 1 HE1 MET 1 7.115 8.276 15.581 10 2HE MET 1 HE2 MET 1 7.338 9.219 14.092 11 3HE MET 1 HE3 MET 1 8.356 7.794 14.399 12 H ALA 2 H ALA 2 12.106 8.425 14.670 13 HA ALA 2 HA ALA 2 11.727 11.161 13.752 14 1HB ALA 2 HB1 ALA 2 14.207 10.953 13.682 15 2HB ALA 2 HB2 ALA 2 14.056 9.443 12.752 16 3HB ALA 2 HB3 ALA 2 13.524 10.983 12.047 17 H VAL 3 H VAL 3 11.014 11.088 11.449 18 HA VAL 3 HA VAL 3 10.395 8.587 10.183 19 HB VAL 3 HB VAL 3 8.617 8.732 11.930 20 1HG1 VAL 3 HG11 VAL 3 8.353 11.173 12.104 21 2HG1 VAL 3 HG12 VAL 3 7.635 11.216 10.478 22 3HG1 VAL 3 HG13 VAL 3 6.813 10.362 11.796 23 1HG2 VAL 3 HG21 VAL 3 8.196 7.545 9.790 24 2HG2 VAL 3 HG22 VAL 3 6.750 8.166 10.592 25 3HG2 VAL 3 HG23 VAL 3 7.383 9.008 9.180 26 H ALA 4 H ALA 4 9.117 9.198 8.062 27 HA ALA 4 HA ALA 4 9.383 11.944 7.172 28 1HB ALA 4 HB1 ALA 4 11.654 10.991 6.656 29 2HB ALA 4 HB2 ALA 4 10.879 9.737 5.669 30 3HB ALA 4 HB3 ALA 4 10.750 11.438 5.204 31 H ASP 5 H ASP 5 8.722 11.582 4.515 32 HA ASP 5 HA ASP 5 6.449 9.716 4.355 33 1HB ASP 5 HB2 ASP 5 5.458 11.725 5.378 34 2HB ASP 5 HB3 ASP 5 6.197 12.750 4.145 35 H LEU 6 H LEU 6 5.767 9.482 2.112 36 HA LEU 6 HA LEU 6 7.811 9.297 0.244 37 1HB LEU 6 HB2 LEU 6 4.801 9.600 -0.118 38 2HB LEU 6 HB3 LEU 6 5.910 9.249 -1.422 39 HG LEU 6 HG LEU 6 5.358 7.436 0.938 40 1HD1 LEU 6 HD11 LEU 6 3.514 7.433 -0.583 41 2HD1 LEU 6 HD12 LEU 6 4.553 7.413 -2.008 42 3HD1 LEU 6 HD13 LEU 6 4.456 5.985 -0.974 43 1HD2 LEU 6 HD21 LEU 6 6.710 5.751 -0.362 44 2HD2 LEU 6 HD22 LEU 6 7.276 7.071 -1.401 45 3HD2 LEU 6 HD23 LEU 6 7.658 7.058 0.336 46 H ALA 7 H ALA 7 5.686 12.120 0.846 47 HA ALA 7 HA ALA 7 6.302 13.458 -1.583 48 1HB ALA 7 HB1 ALA 7 5.406 14.608 1.094 49 2HB ALA 7 HB2 ALA 7 5.321 15.426 -0.479 50 3HB ALA 7 HB3 ALA 7 4.331 13.984 -0.183 51 H LEU 8 H LEU 8 8.148 13.077 1.372 52 HA LEU 8 HA LEU 8 9.760 15.508 0.976 53 1HB LEU 8 HB2 LEU 8 10.126 13.195 2.924 54 2HB LEU 8 HB3 LEU 8 10.991 14.725 2.947 55 HG LEU 8 HG LEU 8 8.012 14.344 3.470 56 1HD1 LEU 8 HD11 LEU 8 8.568 15.017 5.759 57 2HD1 LEU 8 HD12 LEU 8 9.503 13.591 5.296 58 3HD1 LEU 8 HD13 LEU 8 10.283 15.184 5.323 59 1HD2 LEU 8 HD21 LEU 8 8.319 16.522 2.397 60 2HD2 LEU 8 HD22 LEU 8 8.018 16.753 4.120 61 3HD2 LEU 8 HD23 LEU 8 9.672 16.906 3.487 62 H ILE 9 H ILE 9 9.791 12.221 -0.139 63 HA ILE 9 HA ILE 9 12.587 11.763 -0.287 64 HB ILE 9 HB ILE 9 10.284 10.641 -1.935 65 1HG1 ILE 9 HG12 ILE 9 11.718 9.662 0.582 66 2HG1 ILE 9 HG13 ILE 9 10.048 10.241 0.490 67 1HG2 ILE 9 HG21 ILE 9 12.418 10.301 -3.117 68 2HG2 ILE 9 HG22 ILE 9 13.126 9.632 -1.634 69 3HG2 ILE 9 HG23 ILE 9 11.821 8.778 -2.483 70 1HD1 ILE 9 HD11 ILE 9 11.163 7.656 -0.610 71 2HD1 ILE 9 HD12 ILE 9 9.931 7.895 0.632 72 3HD1 ILE 9 HD13 ILE 9 9.559 8.294 -1.062 73 HA PRO 10 HA PRO 10 13.478 14.653 -3.722 74 1HB PRO 10 HB2 PRO 10 15.806 12.820 -4.223 75 2HB PRO 10 HB3 PRO 10 15.769 14.595 -4.074 76 1HG PRO 10 HG2 PRO 10 16.674 13.023 -2.033 77 2HG PRO 10 HG3 PRO 10 15.696 14.491 -1.713 78 1HD PRO 10 HD2 PRO 10 14.787 11.607 -1.746 79 2HD PRO 10 HD3 PRO 10 14.383 12.919 -0.595 80 H ASP 11 H ASP 11 12.093 14.416 -5.376 81 HA ASP 11 HA ASP 11 11.201 11.884 -6.273 82 1HB ASP 11 HB2 ASP 11 9.874 14.002 -6.109 83 2HB ASP 11 HB3 ASP 11 10.728 14.614 -7.536 84 H VAL 12 H VAL 12 13.445 14.222 -7.724 85 HA VAL 12 HA VAL 12 14.276 12.228 -9.721 86 HB VAL 12 HB VAL 12 13.704 15.143 -10.383 87 1HG1 VAL 12 HG11 VAL 12 15.566 14.215 -11.699 88 2HG1 VAL 12 HG12 VAL 12 14.557 12.839 -12.189 89 3HG1 VAL 12 HG13 VAL 12 14.157 14.489 -12.719 90 1HG2 VAL 12 HG21 VAL 12 12.090 12.702 -11.168 91 2HG2 VAL 12 HG22 VAL 12 11.554 14.107 -10.226 92 3HG2 VAL 12 HG23 VAL 12 11.947 14.304 -11.929 93 H ASP 13 H ASP 13 16.499 12.215 -9.819 94 HA ASP 13 HA ASP 13 18.035 14.634 -9.351 95 1HB ASP 13 HB2 ASP 13 17.910 13.911 -7.025 96 2HB ASP 13 HB3 ASP 13 18.371 12.267 -7.466 97 H ILE 14 H ILE 14 19.183 14.538 -11.218 98 HA ILE 14 HA ILE 14 20.389 12.010 -12.094 99 HB ILE 14 HB ILE 14 19.482 12.294 -14.367 100 1HG1 ILE 14 HG12 ILE 14 17.508 14.331 -13.245 101 2HG1 ILE 14 HG13 ILE 14 18.930 14.768 -14.188 102 1HG2 ILE 14 HG21 ILE 14 17.341 11.279 -14.013 103 2HG2 ILE 14 HG22 ILE 14 18.403 10.772 -12.706 104 3HG2 ILE 14 HG23 ILE 14 17.177 12.013 -12.402 105 1HD1 ILE 14 HD11 ILE 14 16.609 13.084 -15.181 106 2HD1 ILE 14 HD12 ILE 14 17.012 14.746 -15.640 107 3HD1 ILE 14 HD13 ILE 14 18.095 13.419 -16.099 108 H ASP 15 H ASP 15 21.916 12.338 -13.872 109 HA ASP 15 HA ASP 15 23.410 14.862 -13.744 110 1HB ASP 15 HB2 ASP 15 24.599 12.754 -14.094 111 2HB ASP 15 HB3 ASP 15 23.651 12.408 -15.529 112 H SER 16 H SER 16 23.689 16.228 -15.787 113 HA SER 16 HA SER 16 21.699 15.889 -17.893 114 1HB SER 16 HB2 SER 16 21.678 18.392 -16.143 115 2HB SER 16 HB3 SER 16 20.729 18.147 -17.624 116 HG SER 16 HG SER 16 20.401 16.074 -15.960 117 H ASP 17 H ASP 17 24.561 15.656 -17.770 118 HA ASP 17 HA ASP 17 25.445 18.016 -19.389 119 1HB ASP 17 HB2 ASP 17 26.192 18.213 -17.047 120 2HB ASP 17 HB3 ASP 17 26.950 16.623 -17.152 121 H GLY 18 H GLY 18 25.316 14.523 -19.120 122 1HA GLY 18 HA2 GLY 18 26.744 14.306 -21.694 123 2HA GLY 18 HA3 GLY 18 27.470 13.484 -20.307 124 H VAL 19 H VAL 19 27.048 11.666 -21.910 125 HA VAL 19 HA VAL 19 24.345 10.511 -21.921 126 HB VAL 19 HB VAL 19 27.098 9.485 -22.766 127 1HG1 VAL 19 HG11 VAL 19 24.381 8.141 -23.029 128 2HG1 VAL 19 HG12 VAL 19 25.835 7.644 -23.923 129 3HG1 VAL 19 HG13 VAL 19 25.802 7.531 -22.162 130 1HG2 VAL 19 HG21 VAL 19 26.221 9.711 -25.063 131 2HG2 VAL 19 HG22 VAL 19 24.697 10.363 -24.430 132 3HG2 VAL 19 HG23 VAL 19 26.211 11.270 -24.237 133 H PHE 20 H PHE 20 23.621 8.994 -20.422 134 HA PHE 20 HA PHE 20 25.409 7.465 -18.766 135 1HB PHE 20 HB2 PHE 20 24.600 8.246 -16.596 136 2HB PHE 20 HB3 PHE 20 25.428 9.547 -17.419 137 HD1 PHE 20 HD1 PHE 20 24.096 11.432 -18.467 138 HD2 PHE 20 HD2 PHE 20 22.271 8.453 -15.967 139 HE1 PHE 20 HE1 PHE 20 22.111 12.887 -18.187 140 HE2 PHE 20 HE2 PHE 20 20.298 9.924 -15.649 141 HZ PHE 20 HZ PHE 20 20.216 12.144 -16.760 142 H LYS 21 H LYS 21 23.938 6.142 -17.141 143 HA LYS 21 HA LYS 21 21.487 5.392 -18.670 144 1HB LYS 21 HB2 LYS 21 23.190 3.634 -16.847 145 2HB LYS 21 HB3 LYS 21 21.753 3.153 -17.757 146 1HG LYS 21 HG2 LYS 21 23.007 3.846 -19.884 147 2HG LYS 21 HG3 LYS 21 24.456 3.994 -18.874 148 1HD LYS 21 HD2 LYS 21 24.087 1.555 -18.187 149 2HD LYS 21 HD3 LYS 21 22.780 1.506 -19.372 150 1HE LYS 21 HE2 LYS 21 24.602 0.614 -20.536 151 2HE LYS 21 HE3 LYS 21 24.468 2.276 -21.130 152 1HZ LYS 21 HZ1 LYS 21 26.317 2.878 -19.712 153 2HZ LYS 21 HZ2 LYS 21 26.364 1.384 -19.029 154 3HZ LYS 21 HZ3 LYS 21 26.759 1.588 -20.607 155 H TYR 22 H TYR 22 19.620 4.797 -17.402 156 HA TYR 22 HA TYR 22 19.586 5.938 -14.667 157 1HB TYR 22 HB2 TYR 22 18.352 7.704 -15.200 158 2HB TYR 22 HB3 TYR 22 18.808 7.438 -16.862 159 HD1 TYR 22 HD1 TYR 22 17.281 5.823 -18.240 160 HD2 TYR 22 HD2 TYR 22 16.108 7.623 -14.506 161 HE1 TYR 22 HE1 TYR 22 14.951 5.102 -18.626 162 HE2 TYR 22 HE2 TYR 22 13.757 6.966 -14.919 163 HH TYR 22 HH TYR 22 12.285 5.961 -16.381 164 H VAL 23 H VAL 23 17.365 5.491 -13.648 165 HA VAL 23 HA VAL 23 16.088 3.021 -14.578 166 HB VAL 23 HB VAL 23 18.058 2.417 -13.127 167 1HG1 VAL 23 HG11 VAL 23 17.920 2.730 -10.697 168 2HG1 VAL 23 HG12 VAL 23 18.002 4.294 -11.536 169 3HG1 VAL 23 HG13 VAL 23 16.467 3.725 -10.887 170 1HG2 VAL 23 HG21 VAL 23 16.253 0.841 -13.377 171 2HG2 VAL 23 HG22 VAL 23 16.899 0.781 -11.737 172 3HG2 VAL 23 HG23 VAL 23 15.347 1.590 -12.045 173 H LEU 24 H LEU 24 13.990 2.751 -13.612 174 HA LEU 24 HA LEU 24 12.830 5.204 -12.357 175 1HB LEU 24 HB2 LEU 24 12.061 4.761 -14.700 176 2HB LEU 24 HB3 LEU 24 11.576 3.140 -14.228 177 HG LEU 24 HG LEU 24 9.850 4.174 -12.660 178 1HD1 LEU 24 HD11 LEU 24 9.284 6.520 -12.935 179 2HD1 LEU 24 HD12 LEU 24 10.935 6.392 -12.350 180 3HD1 LEU 24 HD13 LEU 24 10.632 6.754 -14.069 181 1HD2 LEU 24 HD21 LEU 24 9.670 5.000 -15.585 182 2HD2 LEU 24 HD22 LEU 24 9.259 3.398 -14.917 183 3HD2 LEU 24 HD23 LEU 24 8.318 4.819 -14.446 184 H ILE 25 H ILE 25 12.350 4.680 -10.183 185 HA ILE 25 HA ILE 25 11.782 1.811 -9.665 186 HB ILE 25 HB ILE 25 13.309 1.488 -8.229 187 1HG1 ILE 25 HG12 ILE 25 13.236 4.247 -6.991 188 2HG1 ILE 25 HG13 ILE 25 12.238 2.892 -6.469 189 1HG2 ILE 25 HG21 ILE 25 14.663 2.582 -10.006 190 2HG2 ILE 25 HG22 ILE 25 14.701 4.064 -8.997 191 3HG2 ILE 25 HG23 ILE 25 15.446 2.560 -8.432 192 1HD1 ILE 25 HD11 ILE 25 15.258 3.030 -6.303 193 2HD1 ILE 25 HD12 ILE 25 14.085 3.013 -4.984 194 3HD1 ILE 25 HD13 ILE 25 14.290 1.566 -5.999 195 H ARG 26 H ARG 26 10.152 1.284 -8.454 196 HA ARG 26 HA ARG 26 8.244 3.338 -7.540 197 1HB ARG 26 HB2 ARG 26 7.462 1.297 -8.654 198 2HB ARG 26 HB3 ARG 26 8.237 0.279 -7.448 199 1HG ARG 26 HG2 ARG 26 6.709 0.861 -5.753 200 2HG ARG 26 HG3 ARG 26 6.200 2.350 -6.558 201 1HD ARG 26 HD2 ARG 26 5.609 -0.427 -7.660 202 2HD ARG 26 HD3 ARG 26 4.498 0.487 -6.616 203 HE ARG 26 HE ARG 26 5.154 2.285 -8.584 204 1HH1 ARG 26 HH11 ARG 26 3.606 -0.920 -8.637 205 2HH1 ARG 26 HH12 ARG 26 2.749 -0.625 -10.102 206 1HH2 ARG 26 HH21 ARG 26 4.091 2.672 -10.511 207 2HH2 ARG 26 HH22 ARG 26 3.001 1.494 -11.187 208 H VAL 27 H VAL 27 7.815 3.643 -5.346 209 HA VAL 27 HA VAL 27 9.617 2.452 -3.312 210 HB VAL 27 HB VAL 27 8.783 5.378 -3.619 211 1HG1 VAL 27 HG11 VAL 27 10.450 5.834 -1.882 212 2HG1 VAL 27 HG12 VAL 27 9.225 4.716 -1.282 213 3HG1 VAL 27 HG13 VAL 27 10.831 4.111 -1.759 214 1HG2 VAL 27 HG21 VAL 27 10.371 4.947 -5.411 215 2HG2 VAL 27 HG22 VAL 27 11.156 5.888 -4.147 216 3HG2 VAL 27 HG23 VAL 27 11.488 4.147 -4.282 217 H HIS 28 H HIS 28 8.480 2.010 -1.400 218 HA HIS 28 HA HIS 28 5.520 2.484 -1.397 219 1HB HIS 28 HB2 HIS 28 7.191 0.368 0.007 220 2HB HIS 28 HB3 HIS 28 5.432 0.481 -0.021 221 HD1 HIS 28 HD1 HIS 28 4.497 0.442 -2.844 222 HD2 HIS 28 HD2 HIS 28 8.137 -1.346 -1.703 223 HE1 HIS 28 HE1 HIS 28 5.070 -1.251 -4.656 224 H SER 29 H SER 29 4.546 3.267 0.472 225 HA SER 29 HA SER 29 6.044 5.022 2.152 226 1HB SER 29 HB2 SER 29 3.277 3.884 2.644 227 2HB SER 29 HB3 SER 29 3.966 5.335 3.374 228 HG SER 29 HG SER 29 3.352 4.883 0.629 229 H ALA 30 H ALA 30 7.652 3.993 3.339 230 HA ALA 30 HA ALA 30 6.669 2.712 5.761 231 1HB ALA 30 HB1 ALA 30 8.788 1.338 4.056 232 2HB ALA 30 HB2 ALA 30 8.227 0.812 5.653 233 3HB ALA 30 HB3 ALA 30 7.120 0.784 4.280 234 HA PRO 31 HA PRO 31 10.892 5.249 5.925 235 1HB PRO 31 HB2 PRO 31 9.017 7.480 6.709 236 2HB PRO 31 HB3 PRO 31 10.731 7.578 6.170 237 1HG PRO 31 HG2 PRO 31 8.744 7.971 4.367 238 2HG PRO 31 HG3 PRO 31 10.137 6.937 3.934 239 1HD PRO 31 HD2 PRO 31 7.372 6.108 4.826 240 2HD PRO 31 HD3 PRO 31 8.428 5.410 3.572 241 H ARG 32 H ARG 32 11.911 5.070 7.747 242 HA ARG 32 HA ARG 32 12.355 3.967 9.679 243 1HB ARG 32 HB2 ARG 32 10.853 6.372 10.747 244 2HB ARG 32 HB3 ARG 32 12.105 5.467 11.588 245 1HG ARG 32 HG2 ARG 32 12.457 7.212 9.119 246 2HG ARG 32 HG3 ARG 32 13.043 7.538 10.739 247 1HD ARG 32 HD2 ARG 32 14.025 5.295 8.918 248 2HD ARG 32 HD3 ARG 32 14.850 6.822 9.232 249 HE ARG 32 HE ARG 32 14.416 5.666 11.733 250 1HH1 ARG 32 HH11 ARG 32 16.286 4.840 8.780 251 2HH1 ARG 32 HH12 ARG 32 17.443 3.911 9.653 252 1HH2 ARG 32 HH21 ARG 32 15.985 4.416 12.839 253 2HH2 ARG 32 HH22 ARG 32 17.282 3.674 11.986 254 H SER 33 H SER 33 9.968 2.799 8.567 255 HA SER 33 HA SER 33 8.283 1.437 9.058 256 1HB SER 33 HB2 SER 33 9.741 0.964 11.681 257 2HB SER 33 HB3 SER 33 8.644 -0.147 10.845 258 HG SER 33 HG SER 33 10.853 -0.631 10.459 259 H GLY 34 H GLY 34 7.834 4.253 9.777 260 1HA GLY 34 HA2 GLY 34 5.626 3.892 11.765 261 2HA GLY 34 HA3 GLY 34 6.808 5.202 11.912 262 H ALA 35 H ALA 35 6.027 4.389 8.647 263 HA ALA 35 HA ALA 35 4.947 6.945 8.065 264 1HB ALA 35 HB1 ALA 35 4.573 6.005 5.826 265 2HB ALA 35 HB2 ALA 35 6.145 5.491 6.470 266 3HB ALA 35 HB3 ALA 35 4.771 4.356 6.457 267 HA PRO 36 HA PRO 36 0.741 6.323 9.220 268 1HB PRO 36 HB2 PRO 36 -0.578 8.292 7.873 269 2HB PRO 36 HB3 PRO 36 0.673 8.646 9.102 270 1HG PRO 36 HG2 PRO 36 1.025 8.503 6.084 271 2HG PRO 36 HG3 PRO 36 1.522 9.827 7.190 272 1HD PRO 36 HD2 PRO 36 3.264 7.885 6.408 273 2HD PRO 36 HD3 PRO 36 3.302 8.553 8.067 274 H ALA 37 H ALA 37 1.635 5.429 6.035 275 HA ALA 37 HA ALA 37 -0.950 4.159 5.443 276 1HB ALA 37 HB1 ALA 37 0.319 6.268 3.624 277 2HB ALA 37 HB2 ALA 37 -1.171 5.349 3.301 278 3HB ALA 37 HB3 ALA 37 -1.131 6.527 4.621 279 H ALA 38 H ALA 38 -0.614 3.255 3.015 280 HA ALA 38 HA ALA 38 2.131 2.229 2.583 281 1HB ALA 38 HB1 ALA 38 -0.360 0.493 2.546 282 2HB ALA 38 HB2 ALA 38 1.307 -0.002 2.155 283 3HB ALA 38 HB3 ALA 38 0.896 0.476 3.812 284 H GLU 39 H GLU 39 0.945 4.451 1.381 285 HA GLU 39 HA GLU 39 0.016 3.683 -1.268 286 1HB GLU 39 HB2 GLU 39 1.099 6.322 -0.163 287 2HB GLU 39 HB3 GLU 39 0.414 6.121 -1.773 288 1HG GLU 39 HG2 GLU 39 -1.074 5.765 0.863 289 2HG GLU 39 HG3 GLU 39 -1.197 7.134 -0.228 290 H SER 40 H SER 40 1.410 4.505 -3.215 291 HA SER 40 HA SER 40 4.295 4.117 -2.769 292 1HB SER 40 HB2 SER 40 2.807 2.628 -4.954 293 2HB SER 40 HB3 SER 40 4.497 2.451 -4.481 294 HG SER 40 HG SER 40 2.199 1.738 -2.958 295 H LYS 41 H LYS 41 5.572 4.789 -4.642 296 HA LYS 41 HA LYS 41 4.355 6.428 -6.727 297 1HB LYS 41 HB2 LYS 41 5.528 8.509 -6.062 298 2HB LYS 41 HB3 LYS 41 4.292 8.028 -4.931 299 1HG LYS 41 HG2 LYS 41 5.921 8.698 -3.506 300 2HG LYS 41 HG3 LYS 41 6.170 6.966 -3.514 301 1HD LYS 41 HD2 LYS 41 8.301 7.746 -3.501 302 2HD LYS 41 HD3 LYS 41 8.103 7.480 -5.221 303 1HE LYS 41 HE2 LYS 41 7.767 10.159 -3.763 304 2HE LYS 41 HE3 LYS 41 9.241 9.624 -4.567 305 1HZ LYS 41 HZ1 LYS 41 6.661 10.226 -5.887 306 2HZ LYS 41 HZ2 LYS 41 8.083 11.004 -6.100 307 3HZ LYS 41 HZ3 LYS 41 7.939 9.503 -6.659 308 H GLU 42 H GLU 42 6.137 7.328 -8.186 309 HA GLU 42 HA GLU 42 8.443 5.437 -8.208 310 1HB GLU 42 HB2 GLU 42 6.856 6.848 -10.378 311 2HB GLU 42 HB3 GLU 42 8.540 6.432 -10.649 312 1HG GLU 42 HG2 GLU 42 7.308 4.688 -11.584 313 2HG GLU 42 HG3 GLU 42 8.060 4.049 -10.130 314 H ILE 43 H ILE 43 10.535 6.284 -8.717 315 HA ILE 43 HA ILE 43 10.885 9.222 -8.781 316 HB ILE 43 HB ILE 43 12.875 9.044 -7.346 317 1HG1 ILE 43 HG12 ILE 43 11.964 6.205 -6.723 318 2HG1 ILE 43 HG13 ILE 43 13.361 6.613 -7.718 319 1HG2 ILE 43 HG21 ILE 43 10.432 7.969 -5.896 320 2HG2 ILE 43 HG22 ILE 43 11.703 9.035 -5.245 321 3HG2 ILE 43 HG23 ILE 43 10.593 9.648 -6.475 322 1HD1 ILE 43 HD11 ILE 43 13.078 7.292 -4.763 323 2HD1 ILE 43 HD12 ILE 43 14.037 5.990 -5.472 324 3HD1 ILE 43 HD13 ILE 43 14.467 7.682 -5.806 325 H VAL 44 H VAL 44 12.940 9.831 -9.749 326 HA VAL 44 HA VAL 44 13.782 7.900 -11.882 327 HB VAL 44 HB VAL 44 13.191 10.892 -11.948 328 1HG1 VAL 44 HG11 VAL 44 14.113 9.121 -14.240 329 2HG1 VAL 44 HG12 VAL 44 13.593 10.808 -14.366 330 3HG1 VAL 44 HG13 VAL 44 15.062 10.413 -13.471 331 1HG2 VAL 44 HG21 VAL 44 11.130 9.501 -11.983 332 2HG2 VAL 44 HG22 VAL 44 11.390 10.337 -13.512 333 3HG2 VAL 44 HG23 VAL 44 11.779 8.614 -13.380 334 H ARG 45 H ARG 45 15.955 7.431 -11.683 335 HA ARG 45 HA ARG 45 17.799 9.565 -10.735 336 1HB ARG 45 HB2 ARG 45 17.735 6.709 -9.670 337 2HB ARG 45 HB3 ARG 45 18.982 7.892 -9.300 338 1HG ARG 45 HG2 ARG 45 16.047 8.048 -8.474 339 2HG ARG 45 HG3 ARG 45 17.413 7.626 -7.448 340 1HD ARG 45 HD2 ARG 45 18.364 9.872 -7.693 341 2HD ARG 45 HD3 ARG 45 17.042 10.347 -8.738 342 HE ARG 45 HE ARG 45 15.564 10.430 -6.954 343 1HH1 ARG 45 HH21 ARG 45 18.746 9.341 -5.840 344 2HH1 ARG 45 HH22 ARG 45 18.330 9.345 -4.167 345 1HH2 ARG 45 HH11 ARG 45 15.016 10.542 -4.741 346 2HH2 ARG 45 HH12 ARG 45 16.147 10.032 -3.527 347 H GLY 46 H GLY 46 19.938 9.324 -11.568 348 1HA GLY 46 HA2 GLY 46 20.974 7.083 -12.863 349 2HA GLY 46 HA3 GLY 46 20.192 8.062 -14.112 350 H TYR 47 H TYR 47 23.114 7.465 -13.398 351 HA TYR 47 HA TYR 47 24.143 10.226 -13.461 352 1HB TYR 47 HB2 TYR 47 25.065 8.270 -11.328 353 2HB TYR 47 HB3 TYR 47 25.508 9.957 -11.492 354 HD1 TYR 47 HD1 TYR 47 22.882 7.583 -10.456 355 HD2 TYR 47 HD2 TYR 47 24.089 11.718 -10.514 356 HE1 TYR 47 HE1 TYR 47 21.209 8.085 -8.693 357 HE2 TYR 47 HE2 TYR 47 22.425 12.234 -8.758 358 HH TYR 47 HH TYR 47 20.839 11.381 -7.304 359 H LYS 48 H LYS 48 26.438 10.211 -14.060 360 HA LYS 48 HA LYS 48 27.105 8.220 -15.946 361 1HB LYS 48 HB2 LYS 48 27.930 10.587 -15.876 362 2HB LYS 48 HB3 LYS 48 29.002 10.148 -14.535 363 1HG LYS 48 HG2 LYS 48 30.185 8.539 -15.996 364 2HG LYS 48 HG3 LYS 48 29.046 8.880 -17.316 365 1HD LYS 48 HD2 LYS 48 29.813 11.239 -17.364 366 2HD LYS 48 HD3 LYS 48 30.943 10.899 -16.034 367 1HE LYS 48 HE2 LYS 48 32.081 9.197 -17.449 368 2HE LYS 48 HE3 LYS 48 30.959 9.541 -18.771 369 1HZ LYS 48 HZ1 LYS 48 33.045 10.721 -19.046 370 2HZ LYS 48 HZ2 LYS 48 31.845 11.801 -18.843 371 3HZ LYS 48 HZ3 LYS 48 32.880 11.482 -17.618 372 H TRP 49 H TRP 49 27.935 8.399 -12.454 373 HA TRP 49 HA TRP 49 29.904 6.341 -12.586 374 1HB TRP 49 HB2 TRP 49 29.524 6.137 -10.115 375 2HB TRP 49 HB3 TRP 49 30.035 7.690 -10.726 376 HD1 TRP 49 HD1 TRP 49 28.824 9.706 -9.858 377 HE1 TRP 49 HE1 TRP 49 26.728 10.190 -8.494 378 HE3 TRP 49 HE3 TRP 49 26.812 4.984 -9.740 379 HZ2 TRP 49 HZ2 TRP 49 24.404 8.736 -7.543 380 HZ3 TRP 49 HZ3 TRP 49 24.588 4.611 -8.754 381 HH2 TRP 49 HH2 TRP 49 23.317 6.507 -7.740 382 H ALA 50 H ALA 50 26.364 6.091 -12.652 383 HA ALA 50 HA ALA 50 26.506 3.214 -12.035 384 1HB ALA 50 HB1 ALA 50 24.581 4.344 -11.180 385 2HB ALA 50 HB2 ALA 50 24.151 4.961 -12.804 386 3HB ALA 50 HB3 ALA 50 24.127 3.209 -12.455 387 H GLU 51 H GLU 51 28.049 2.792 -13.721 388 HA GLU 51 HA GLU 51 27.482 3.161 -16.486 389 1HB GLU 51 HB2 GLU 51 29.169 1.049 -15.063 390 2HB GLU 51 HB3 GLU 51 29.173 1.335 -16.809 391 1HG GLU 51 HG2 GLU 51 29.896 3.693 -16.392 392 2HG GLU 51 HG3 GLU 51 29.999 3.332 -14.665 393 H TYR 52 H TYR 52 25.879 1.138 -14.221 394 HA TYR 52 HA TYR 52 24.420 -0.225 -16.356 395 1HB TYR 52 HB2 TYR 52 24.444 -2.304 -14.768 396 2HB TYR 52 HB3 TYR 52 25.676 -2.059 -15.990 397 HD1 TYR 52 HD1 TYR 52 25.068 -2.474 -12.433 398 HD2 TYR 52 HD2 TYR 52 27.904 -1.126 -15.365 399 HE1 TYR 52 HE1 TYR 52 26.873 -2.686 -10.749 400 HE2 TYR 52 HE2 TYR 52 29.747 -1.328 -13.691 401 HH TYR 52 HH TYR 52 29.151 -2.437 -10.319 402 H HIS 53 H HIS 53 22.272 -0.570 -15.768 403 HA HIS 53 HA HIS 53 21.132 1.280 -14.009 404 1HB HIS 53 HB2 HIS 53 19.698 -1.234 -14.917 405 2HB HIS 53 HB3 HIS 53 19.023 0.365 -14.624 406 HD1 HIS 53 HD1 HIS 53 19.142 2.080 -16.736 407 HD2 HIS 53 HD2 HIS 53 21.108 -1.622 -17.200 408 HE1 HIS 53 HE1 HIS 53 19.813 1.883 -19.203 409 H ALA 54 H ALA 54 21.984 -2.133 -13.430 410 HA ALA 54 HA ALA 54 20.536 -2.485 -11.017 411 1HB ALA 54 HB1 ALA 54 22.125 -4.302 -10.560 412 2HB ALA 54 HB2 ALA 54 21.589 -4.346 -12.249 413 3HB ALA 54 HB3 ALA 54 23.204 -3.717 -11.840 414 H ASP 55 H ASP 55 23.542 -0.674 -11.662 415 HA ASP 55 HA ASP 55 24.488 -0.655 -8.957 416 1HB ASP 55 HB2 ASP 55 25.772 0.072 -11.102 417 2HB ASP 55 HB3 ASP 55 24.904 1.578 -10.972 418 H ILE 56 H ILE 56 22.384 1.570 -10.834 419 HA ILE 56 HA ILE 56 22.015 3.333 -8.566 420 HB ILE 56 HB ILE 56 19.892 3.946 -10.178 421 1HG1 ILE 56 HG12 ILE 56 22.007 2.854 -12.055 422 2HG1 ILE 56 HG13 ILE 56 20.266 2.552 -11.998 423 1HG2 ILE 56 HG21 ILE 56 21.424 5.427 -9.069 424 2HG2 ILE 56 HG22 ILE 56 22.657 5.121 -10.320 425 3HG2 ILE 56 HG23 ILE 56 21.115 5.918 -10.725 426 1HD1 ILE 56 HD11 ILE 56 21.717 5.037 -12.919 427 2HD1 ILE 56 HD12 ILE 56 20.764 3.901 -13.887 428 3HD1 ILE 56 HD13 ILE 56 19.944 4.943 -12.699 429 H TYR 57 H TYR 57 20.124 0.553 -9.937 430 HA TYR 57 HA TYR 57 17.881 0.970 -8.235 431 1HB TYR 57 HB2 TYR 57 17.786 -0.703 -9.989 432 2HB TYR 57 HB3 TYR 57 19.080 -1.634 -9.233 433 HD1 TYR 57 HD1 TYR 57 18.291 -3.600 -8.214 434 HD2 TYR 57 HD2 TYR 57 15.878 -0.028 -7.969 435 HE1 TYR 57 HE1 TYR 57 16.687 -4.779 -6.743 436 HE2 TYR 57 HE2 TYR 57 14.304 -1.170 -6.482 437 HH TYR 57 HH TYR 57 13.801 -3.186 -5.313 438 H ASP 58 H ASP 58 20.985 -0.819 -7.622 439 HA ASP 58 HA ASP 58 20.339 -1.543 -4.954 440 1HB ASP 58 HB2 ASP 58 22.109 -2.651 -6.203 441 2HB ASP 58 HB3 ASP 58 23.033 -1.148 -6.302 442 H LYS 59 H LYS 59 22.276 1.248 -6.207 443 HA LYS 59 HA LYS 59 22.960 2.420 -3.741 444 1HB LYS 59 HB2 LYS 59 23.827 3.117 -5.990 445 2HB LYS 59 HB3 LYS 59 22.249 3.775 -6.377 446 1HG LYS 59 HG2 LYS 59 23.302 5.701 -5.736 447 2HG LYS 59 HG3 LYS 59 22.558 5.261 -4.232 448 1HD LYS 59 HD2 LYS 59 24.792 5.979 -3.788 449 2HD LYS 59 HD3 LYS 59 24.741 4.229 -3.495 450 1HE LYS 59 HE2 LYS 59 25.758 3.847 -5.746 451 2HE LYS 59 HE3 LYS 59 25.755 5.589 -6.043 452 1HZ LYS 59 HZ1 LYS 59 27.914 4.818 -5.297 453 2HZ LYS 59 HZ2 LYS 59 27.301 5.841 -4.189 454 3HZ LYS 59 HZ3 LYS 59 27.299 4.230 -3.908 455 H VAL 60 H VAL 60 20.104 3.111 -5.819 456 HA VAL 60 HA VAL 60 19.090 5.073 -4.013 457 HB VAL 60 HB VAL 60 17.774 3.679 -6.355 458 1HG1 VAL 60 HG11 VAL 60 16.125 4.711 -4.763 459 2HG1 VAL 60 HG12 VAL 60 17.025 6.224 -4.815 460 3HG1 VAL 60 HG13 VAL 60 16.224 5.617 -6.289 461 1HG2 VAL 60 HG21 VAL 60 19.059 6.446 -6.174 462 2HG2 VAL 60 HG22 VAL 60 19.880 5.046 -6.864 463 3HG2 VAL 60 HG23 VAL 60 18.408 5.618 -7.619 464 H SER 61 H SER 61 18.228 1.558 -4.547 465 HA SER 61 HA SER 61 16.171 1.589 -2.585 466 1HB SER 61 HB2 SER 61 17.963 -0.732 -3.381 467 2HB SER 61 HB3 SER 61 16.401 -0.827 -2.537 468 HG SER 61 HG SER 61 17.003 -0.094 -5.171 469 H GLY 62 H GLY 62 19.731 1.418 -2.220 470 1HA GLY 62 HA2 GLY 62 19.779 0.659 0.534 471 2HA GLY 62 HA3 GLY 62 21.017 1.579 -0.346 472 H ASP 63 H ASP 63 19.825 3.929 -1.057 473 HA ASP 63 HA ASP 63 19.732 5.375 1.389 474 1HB ASP 63 HB2 ASP 63 20.394 6.369 -0.789 475 2HB ASP 63 HB3 ASP 63 18.711 6.284 -1.326 476 H MET 64 H MET 64 17.085 4.400 -0.868 477 HA MET 64 HA MET 64 14.915 5.415 0.618 478 1HB MET 64 HB2 MET 64 15.170 2.905 -1.084 479 2HB MET 64 HB3 MET 64 13.645 3.543 -0.498 480 1HG MET 64 HG2 MET 64 15.504 4.991 -2.409 481 2HG MET 64 HG3 MET 64 13.984 4.226 -2.803 482 1HE MET 64 HE1 MET 64 15.651 7.442 -2.447 483 2HE MET 64 HE2 MET 64 14.765 8.395 -1.234 484 3HE MET 64 HE3 MET 64 15.733 7.014 -0.721 485 H GLN 65 H GLN 65 16.535 2.164 1.046 486 HA GLN 65 HA GLN 65 14.738 1.461 3.146 487 1HB GLN 65 HB2 GLN 65 17.421 0.464 2.155 488 2HB GLN 65 HB3 GLN 65 16.720 -0.220 3.624 489 1HG GLN 65 HG2 GLN 65 14.761 -0.997 2.461 490 2HG GLN 65 HG3 GLN 65 15.225 -0.156 0.976 491 1HE2 GLN 65 HE22 GLN 65 17.420 -0.800 0.073 492 2HE2 GLN 65 HE21 GLN 65 17.843 -2.512 0.109 493 H LYS 66 H LYS 66 17.857 3.241 3.186 494 HA LYS 66 HA LYS 66 18.158 3.283 6.041 495 1HB LYS 66 HB2 LYS 66 19.948 3.912 4.551 496 2HB LYS 66 HB3 LYS 66 18.956 5.136 3.787 497 1HG LYS 66 HG2 LYS 66 18.950 6.420 5.992 498 2HG LYS 66 HG3 LYS 66 20.101 5.215 6.598 499 1HD LYS 66 HD2 LYS 66 21.368 7.108 5.799 500 2HD LYS 66 HD3 LYS 66 21.598 5.780 4.642 501 1HE LYS 66 HE2 LYS 66 19.816 6.795 3.184 502 2HE LYS 66 HE3 LYS 66 19.659 8.130 4.322 503 1HZ LYS 66 HZ1 LYS 66 21.062 8.478 2.317 504 2HZ LYS 66 HZ2 LYS 66 21.817 8.874 3.733 505 3HZ LYS 66 HZ3 LYS 66 22.198 7.487 2.944 506 H GLN 67 H GLN 67 16.325 5.424 3.747 507 HA GLN 67 HA GLN 67 15.166 7.020 5.848 508 1HB GLN 67 HB2 GLN 67 14.118 6.445 3.041 509 2HB GLN 67 HB3 GLN 67 13.473 7.640 4.169 510 1HG GLN 67 HG2 GLN 67 15.777 8.722 4.220 511 2HG GLN 67 HG3 GLN 67 16.262 7.617 2.938 512 1HE2 GLN 67 HE22 GLN 67 16.408 8.831 1.028 513 2HE2 GLN 67 HE21 GLN 67 15.199 10.005 0.557 514 H GLY 68 H GLY 68 14.243 3.943 4.383 515 1HA GLY 68 HA2 GLY 68 13.504 2.357 6.208 516 2HA GLY 68 HA3 GLY 68 12.178 3.477 6.496 517 H CYS 69 H CYS 69 12.715 3.554 3.207 518 HA CYS 69 HA CYS 69 10.125 2.364 2.671 519 1HB CYS 69 HB2 CYS 69 12.295 3.751 1.067 520 2HB CYS 69 HB3 CYS 69 10.872 3.044 0.280 521 HG CYS 69 HG CYS 69 9.097 4.378 1.364 522 H ASP 70 H ASP 70 9.942 1.002 0.638 523 HA ASP 70 HA ASP 70 12.095 -0.985 0.234 524 1HB ASP 70 HB2 ASP 70 10.419 -2.133 1.617 525 2HB ASP 70 HB3 ASP 70 9.123 -1.580 0.549 526 H CYS 71 H CYS 71 12.085 -1.674 -2.080 527 HA CYS 71 HA CYS 71 10.492 0.078 -3.842 528 1HB CYS 71 HB2 CYS 71 13.552 0.090 -3.845 529 2HB CYS 71 HB3 CYS 71 12.461 1.065 -4.837 530 HG CYS 71 HG CYS 71 11.266 1.796 -2.329 531 H GLU 72 H GLU 72 10.974 -0.229 -6.165 532 HA GLU 72 HA GLU 72 12.180 -2.820 -6.965 533 1HB GLU 72 HB2 GLU 72 9.279 -1.991 -7.453 534 2HB GLU 72 HB3 GLU 72 10.096 -3.240 -8.373 535 1HG GLU 72 HG2 GLU 72 9.515 -3.306 -5.387 536 2HG GLU 72 HG3 GLU 72 8.630 -4.152 -6.649 537 H CYS 73 H CYS 73 13.408 -2.352 -8.790 538 HA CYS 73 HA CYS 73 13.109 0.118 -10.290 539 1HB CYS 73 HB2 CYS 73 14.638 -1.155 -11.910 540 2HB CYS 73 HB3 CYS 73 15.284 -0.733 -10.321 541 HG CYS 73 HG CYS 73 13.862 -3.575 -11.211 542 H LEU 74 H LEU 74 11.297 0.395 -11.570 543 HA LEU 74 HA LEU 74 9.679 -1.873 -12.456 544 1HB LEU 74 HB2 LEU 74 9.546 1.093 -13.158 545 2HB LEU 74 HB3 LEU 74 8.356 -0.128 -13.594 546 HG LEU 74 HG LEU 74 9.001 0.886 -10.800 547 1HD1 LEU 74 HD11 LEU 74 6.448 0.949 -12.466 548 2HD1 LEU 74 HD12 LEU 74 6.673 1.649 -10.852 549 3HD1 LEU 74 HD13 LEU 74 7.565 2.309 -12.232 550 1HD2 LEU 74 HD21 LEU 74 7.172 -1.422 -11.601 551 2HD2 LEU 74 HD22 LEU 74 8.571 -1.483 -10.499 552 3HD2 LEU 74 HD23 LEU 74 7.119 -0.610 -10.024 553 H GLY 75 H GLY 75 12.317 0.063 -13.742 554 1HA GLY 75 HA2 GLY 75 13.097 -1.710 -15.723 555 2HA GLY 75 HA3 GLY 75 12.030 -0.542 -16.516 556 H GLY 76 H GLY 76 14.248 -0.076 -17.595 557 1HA GLY 76 HA2 GLY 76 15.087 2.469 -16.521 558 2HA GLY 76 HA3 GLY 76 16.392 1.269 -16.497 559 H GLY 77 H GLY 77 17.173 3.094 -18.015 560 1HA GLY 77 HA2 GLY 77 17.164 2.234 -20.743 561 2HA GLY 77 HA3 GLY 77 16.125 3.655 -20.525 562 H ARG 78 H ARG 78 17.807 4.719 -21.917 563 HA ARG 78 HA ARG 78 20.205 5.537 -20.334 564 1HB ARG 78 HB2 ARG 78 20.700 4.033 -22.324 565 2HB ARG 78 HB3 ARG 78 20.074 5.321 -23.367 566 1HG ARG 78 HG2 ARG 78 21.830 6.866 -22.446 567 2HG ARG 78 HG3 ARG 78 22.388 5.565 -21.390 568 1HD ARG 78 HD2 ARG 78 23.891 5.714 -23.206 569 2HD ARG 78 HD3 ARG 78 22.981 4.224 -23.385 570 HE ARG 78 HE ARG 78 22.541 6.786 -24.910 571 1HH1 ARG 78 HH21 ARG 78 22.287 3.224 -24.817 572 2HH1 ARG 78 HH22 ARG 78 21.621 3.109 -26.422 573 1HH2 ARG 78 HH11 ARG 78 21.690 6.563 -27.076 574 2HH2 ARG 78 HH12 ARG 78 21.320 4.987 -27.699 575 H ILE 79 H ILE 79 20.824 7.706 -20.559 576 HA ILE 79 HA ILE 79 18.830 9.522 -21.770 577 HB ILE 79 HB ILE 79 20.292 9.785 -19.114 578 1HG1 ILE 79 HG12 ILE 79 17.365 9.596 -19.943 579 2HG1 ILE 79 HG13 ILE 79 18.270 8.435 -18.987 580 1HG2 ILE 79 HG21 ILE 79 19.249 12.054 -18.973 581 2HG2 ILE 79 HG22 ILE 79 20.341 11.982 -20.336 582 3HG2 ILE 79 HG23 ILE 79 18.585 11.863 -20.606 583 1HD1 ILE 79 HD11 ILE 79 18.418 10.119 -17.136 584 2HD1 ILE 79 HD12 ILE 79 17.350 11.187 -18.081 585 3HD1 ILE 79 HD13 ILE 79 16.769 9.610 -17.540 586 H SER 80 H SER 80 19.753 11.046 -23.073 587 HA SER 80 HA SER 80 22.679 11.213 -23.387 588 1HB SER 80 HB2 SER 80 20.746 9.820 -25.302 589 2HB SER 80 HB3 SER 80 22.314 10.427 -25.833 590 HG SER 80 HG SER 80 22.332 8.852 -23.550 591 H HIS 81 H HIS 81 23.231 12.760 -25.099 592 HA HIS 81 HA HIS 81 21.001 14.427 -26.107 593 1HB HIS 81 HB2 HIS 81 22.179 15.565 -24.203 594 2HB HIS 81 HB3 HIS 81 23.678 15.502 -25.130 595 HD1 HIS 81 HD1 HIS 81 23.726 18.234 -25.165 596 HD2 HIS 81 HD2 HIS 81 20.415 16.396 -27.003 597 HE1 HIS 81 HE1 HIS 81 22.555 20.038 -26.528 598 H GLN 82 H GLN 82 22.332 12.096 -27.230 599 HA GLN 82 HA GLN 82 24.358 12.878 -29.108 600 1HB GLN 82 HB2 GLN 82 22.507 10.454 -29.013 601 2HB GLN 82 HB3 GLN 82 23.872 10.637 -30.121 602 1HG GLN 82 HG2 GLN 82 25.451 10.748 -28.241 603 2HG GLN 82 HG3 GLN 82 24.143 10.670 -27.076 604 1HE2 GLN 82 HE22 GLN 82 23.725 8.606 -26.219 605 2HE2 GLN 82 HE21 GLN 82 24.245 7.132 -27.010 606 H SER 83 H SER 83 20.900 13.227 -29.091 607 HA SER 83 HA SER 83 20.302 13.651 -31.778 608 1HB SER 83 HB2 SER 83 19.349 15.232 -29.367 609 2HB SER 83 HB3 SER 83 18.443 14.903 -30.861 610 HG SER 83 HG SER 83 17.789 13.509 -29.185 611 H GLN 84 H GLN 84 22.258 15.610 -29.580 612 HA GLN 84 HA GLN 84 23.106 17.678 -29.611 613 1HB GLN 84 HB2 GLN 84 23.574 16.892 -32.504 614 2HB GLN 84 HB3 GLN 84 24.334 18.278 -31.719 615 1HG GLN 84 HG2 GLN 84 24.620 15.407 -30.709 616 2HG GLN 84 HG3 GLN 84 25.745 16.190 -31.805 617 1HE2 GLN 84 HE22 GLN 84 24.633 16.055 -28.426 618 2HE2 GLN 84 HE21 GLN 84 25.894 17.093 -27.801 619 H ASP 85 H ASP 85 20.907 18.279 -29.101 620 HA ASP 85 HA ASP 85 19.738 20.251 -31.005 621 1HB ASP 85 HB2 ASP 85 18.271 18.288 -30.794 622 2HB ASP 85 HB3 ASP 85 18.297 18.434 -29.038 623 H LYS 86 H LYS 86 18.232 20.413 -27.987 624 HA LYS 86 HA LYS 86 20.390 22.024 -26.703 625 1HB LYS 86 HB2 LYS 86 17.472 22.818 -27.133 626 2HB LYS 86 HB3 LYS 86 18.599 23.713 -26.127 627 1HG LYS 86 HG2 LYS 86 18.923 23.336 -29.131 628 2HG LYS 86 HG3 LYS 86 18.214 24.739 -28.339 629 1HD LYS 86 HD2 LYS 86 20.332 25.206 -27.164 630 2HD LYS 86 HD3 LYS 86 21.087 23.797 -27.935 631 1HE LYS 86 HE2 LYS 86 20.654 24.782 -30.170 632 2HE LYS 86 HE3 LYS 86 19.906 26.191 -29.408 633 1HZ LYS 86 HZ1 LYS 86 22.048 26.687 -28.378 634 2HZ LYS 86 HZ2 LYS 86 22.740 25.384 -29.084 635 3HZ LYS 86 HZ3 LYS 86 22.203 26.620 -29.997 636 H LYS 87 H LYS 87 18.924 19.221 -26.227 637 HA LYS 87 HA LYS 87 18.461 19.585 -23.366 638 1HB LYS 87 HB2 LYS 87 16.157 18.821 -23.409 639 2HB LYS 87 HB3 LYS 87 16.331 20.365 -24.240 640 1HG LYS 87 HG2 LYS 87 16.412 18.884 -26.425 641 2HG LYS 87 HG3 LYS 87 15.758 17.609 -25.386 642 1HD LYS 87 HD2 LYS 87 13.847 19.130 -24.795 643 2HD LYS 87 HD3 LYS 87 14.543 20.362 -25.874 644 1HE LYS 87 HE2 LYS 87 14.469 18.498 -27.699 645 2HE LYS 87 HE3 LYS 87 13.379 17.648 -26.594 646 1HZ LYS 87 HZ1 LYS 87 11.980 19.742 -26.659 647 2HZ LYS 87 HZ2 LYS 87 12.960 20.303 -27.837 648 3HZ LYS 87 HZ3 LYS 87 12.085 18.957 -28.103 649 H ILE 88 H ILE 88 18.536 17.621 -22.225 650 HA ILE 88 HA ILE 88 19.519 15.289 -23.653 651 HB ILE 88 HB ILE 88 19.330 14.083 -21.563 652 1HG1 ILE 88 HG12 ILE 88 17.872 16.525 -20.528 653 2HG1 ILE 88 HG13 ILE 88 17.333 14.844 -20.589 654 1HG2 ILE 88 HG21 ILE 88 21.296 15.534 -22.056 655 2HG2 ILE 88 HG22 ILE 88 20.584 16.785 -21.008 656 3HG2 ILE 88 HG23 ILE 88 21.034 15.182 -20.353 657 1HD1 ILE 88 HD11 ILE 88 19.093 14.303 -18.858 658 2HD1 ILE 88 HD12 ILE 88 19.413 16.047 -18.732 659 3HD1 ILE 88 HD13 ILE 88 17.819 15.409 -18.310 660 H HIS 89 H HIS 89 18.418 13.197 -23.642 661 HA HIS 89 HA HIS 89 15.466 13.289 -23.950 662 1HB HIS 89 HB2 HIS 89 16.657 13.769 -26.110 663 2HB HIS 89 HB3 HIS 89 17.550 12.261 -25.935 664 HD1 HIS 89 HD1 HIS 89 14.083 13.573 -26.891 665 HD2 HIS 89 HD2 HIS 89 16.250 9.980 -26.526 666 HE1 HIS 89 HE1 HIS 89 12.780 11.805 -28.193 667 H VAL 90 H VAL 90 14.546 11.122 -23.766 668 HA VAL 90 HA VAL 90 16.296 9.215 -22.264 669 HB VAL 90 HB VAL 90 13.320 9.722 -21.855 670 1HG1 VAL 90 HG11 VAL 90 15.401 8.358 -20.089 671 2HG1 VAL 90 HG12 VAL 90 13.674 8.549 -19.728 672 3HG1 VAL 90 HG13 VAL 90 14.185 7.536 -21.081 673 1HG2 VAL 90 HG21 VAL 90 14.345 11.823 -21.244 674 2HG2 VAL 90 HG22 VAL 90 13.937 10.953 -19.767 675 3HG2 VAL 90 HG23 VAL 90 15.622 10.999 -20.325 676 H TYR 91 H TYR 91 16.357 7.137 -23.132 677 HA TYR 91 HA TYR 91 14.140 6.044 -24.635 678 1HB TYR 91 HB2 TYR 91 15.308 5.841 -26.792 679 2HB TYR 91 HB3 TYR 91 14.903 7.473 -26.377 680 HD1 TYR 91 HD1 TYR 91 17.946 6.419 -24.608 681 HD2 TYR 91 HD2 TYR 91 16.373 7.928 -28.337 682 HE1 TYR 91 HE1 TYR 91 20.171 7.191 -25.226 683 HE2 TYR 91 HE2 TYR 91 18.640 8.593 -29.026 684 HH TYR 91 HH TYR 91 20.890 8.697 -28.421 685 H GLY 92 H GLY 92 15.522 4.042 -26.057 686 1HA GLY 92 HA2 GLY 92 16.615 2.058 -25.802 687 2HA GLY 92 HA3 GLY 92 17.570 2.795 -24.507 688 H TYR 93 H TYR 93 17.440 0.725 -23.466 689 HA TYR 93 HA TYR 93 15.162 0.387 -21.690 690 1HB TYR 93 HB2 TYR 93 14.826 -1.974 -22.293 691 2HB TYR 93 HB3 TYR 93 14.414 -0.925 -23.635 692 HD1 TYR 93 HD1 TYR 93 15.939 -0.773 -25.643 693 HD2 TYR 93 HD2 TYR 93 16.553 -3.652 -22.488 694 HE1 TYR 93 HE1 TYR 93 17.446 -2.067 -27.120 695 HE2 TYR 93 HE2 TYR 93 18.059 -4.950 -23.951 696 HH TYR 93 HH TYR 93 19.060 -5.100 -26.053 697 H SER 94 H SER 94 15.796 -1.032 -19.870 698 HA SER 94 HA SER 94 18.720 -1.278 -19.578 699 1HB SER 94 HB2 SER 94 18.292 -1.980 -17.324 700 2HB SER 94 HB3 SER 94 17.379 -0.508 -17.657 701 HG SER 94 HG SER 94 15.514 -1.926 -17.979 702 H MET 95 H MET 95 19.855 -3.177 -19.900 703 HA MET 95 HA MET 95 18.516 -5.464 -21.038 704 1HB MET 95 HB2 MET 95 20.622 -6.540 -21.027 705 2HB MET 95 HB3 MET 95 20.899 -4.872 -21.487 706 1HG MET 95 HG2 MET 95 21.470 -6.164 -18.791 707 2HG MET 95 HG3 MET 95 22.651 -5.712 -20.001 708 1HE MET 95 HE1 MET 95 22.821 -1.819 -19.736 709 2HE MET 95 HE2 MET 95 23.531 -3.282 -20.454 710 3HE MET 95 HE3 MET 95 21.892 -2.768 -20.914 711 H ALA 96 H ALA 96 19.296 -4.431 -17.764 712 HA ALA 96 HA ALA 96 19.032 -7.004 -16.530 713 1HB ALA 96 HB1 ALA 96 20.408 -5.193 -15.588 714 2HB ALA 96 HB2 ALA 96 18.955 -4.190 -15.349 715 3HB ALA 96 HB3 ALA 96 19.157 -5.699 -14.438 716 H TYR 97 H TYR 97 16.720 -4.237 -16.959 717 HA TYR 97 HA TYR 97 14.609 -5.914 -15.683 718 1HB TYR 97 HB2 TYR 97 14.941 -2.928 -15.341 719 2HB TYR 97 HB3 TYR 97 13.891 -4.005 -14.440 720 HD1 TYR 97 HD1 TYR 97 16.816 -2.131 -14.217 721 HD2 TYR 97 HD2 TYR 97 15.308 -6.058 -13.251 722 HE1 TYR 97 HE1 TYR 97 18.554 -2.367 -12.462 723 HE2 TYR 97 HE2 TYR 97 17.058 -6.317 -11.525 724 HH TYR 97 HH TYR 97 18.864 -5.335 -10.450 725 H GLY 98 H GLY 98 15.403 -4.454 -18.605 726 1HA GLY 98 HA2 GLY 98 14.049 -4.361 -20.484 727 2HA GLY 98 HA3 GLY 98 12.598 -4.496 -19.483 728 HA PRO 99 HA PRO 99 13.245 -0.018 -20.741 729 1HB PRO 99 HB2 PRO 99 10.884 0.365 -22.097 730 2HB PRO 99 HB3 PRO 99 12.375 -0.232 -22.873 731 1HG PRO 99 HG2 PRO 99 10.010 -1.837 -21.882 732 2HG PRO 99 HG3 PRO 99 10.908 -2.017 -23.420 733 1HD PRO 99 HD2 PRO 99 11.365 -3.604 -21.231 734 2HD PRO 99 HD3 PRO 99 12.672 -3.151 -22.363 735 H ALA 100 H ALA 100 12.603 1.500 -19.334 736 HA ALA 100 HA ALA 100 10.497 1.027 -17.344 737 1HB ALA 100 HB1 ALA 100 12.341 3.321 -18.097 738 2HB ALA 100 HB2 ALA 100 11.148 3.454 -16.790 739 3HB ALA 100 HB3 ALA 100 12.462 2.291 -16.661 740 H GLN 101 H GLN 101 8.853 2.837 -17.056 741 HA GLN 101 HA GLN 101 7.457 3.508 -19.562 742 1HB GLN 101 HB2 GLN 101 6.881 4.134 -16.628 743 2HB GLN 101 HB3 GLN 101 5.914 4.731 -17.984 744 1HG GLN 101 HG2 GLN 101 5.445 2.409 -18.692 745 2HG GLN 101 HG3 GLN 101 6.326 1.802 -17.275 746 1HE2 GLN 101 HE22 GLN 101 5.497 2.760 -15.070 747 2HE2 GLN 101 HE21 GLN 101 3.769 2.945 -14.917 748 H HIS 102 H HIS 102 9.401 4.651 -20.415 749 HA HIS 102 HA HIS 102 10.615 6.828 -19.174 750 1HB HIS 102 HB2 HIS 102 10.165 6.365 -22.138 751 2HB HIS 102 HB3 HIS 102 11.367 7.461 -21.448 752 HD1 HIS 102 HD1 HIS 102 11.180 3.980 -22.657 753 HD2 HIS 102 HD2 HIS 102 12.945 5.984 -19.413 754 HE1 HIS 102 HE1 HIS 102 12.953 2.416 -21.692 755 H ALA 103 H ALA 103 7.412 6.783 -20.525 756 HA ALA 103 HA ALA 103 6.944 9.544 -20.941 757 1HB ALA 103 HB1 ALA 103 5.126 7.365 -19.788 758 2HB ALA 103 HB2 ALA 103 4.589 8.943 -20.407 759 3HB ALA 103 HB3 ALA 103 5.325 7.765 -21.511 760 H ILE 104 H ILE 104 7.125 7.594 -17.923 761 HA ILE 104 HA ILE 104 6.211 9.657 -16.132 762 HB ILE 104 HB ILE 104 8.068 7.282 -15.628 763 1HG1 ILE 104 HG12 ILE 104 5.783 6.624 -16.456 764 2HG1 ILE 104 HG13 ILE 104 6.199 6.024 -14.860 765 1HG2 ILE 104 HG21 ILE 104 8.398 8.806 -13.828 766 2HG2 ILE 104 HG22 ILE 104 6.665 9.162 -13.697 767 3HG2 ILE 104 HG23 ILE 104 7.286 7.571 -13.223 768 1HD1 ILE 104 HD11 ILE 104 3.854 6.883 -15.076 769 2HD1 ILE 104 HD12 ILE 104 4.793 7.621 -13.770 770 3HD1 ILE 104 HD13 ILE 104 4.517 8.531 -15.284 771 H SER 105 H SER 105 9.485 8.551 -17.250 772 HA SER 105 HA SER 105 10.999 10.331 -15.790 773 1HB SER 105 HB2 SER 105 11.547 9.454 -18.650 774 2HB SER 105 HB3 SER 105 12.712 9.930 -17.420 775 HG SER 105 HG SER 105 12.502 7.653 -17.491 776 H THR 106 H THR 106 9.684 10.905 -19.145 777 HA THR 106 HA THR 106 10.636 13.566 -19.213 778 HB THR 106 HB THR 106 8.802 13.854 -21.003 779 HG1 THR 106 HG1 THR 106 7.461 12.093 -20.306 780 1HG2 THR 106 HG21 THR 106 10.821 11.576 -21.242 781 2HG2 THR 106 HG22 THR 106 10.057 12.457 -22.582 782 3HG2 THR 106 HG23 THR 106 11.168 13.297 -21.497 783 H GLU 107 H GLU 107 7.466 12.353 -17.942 784 HA GLU 107 HA GLU 107 6.385 14.940 -17.498 785 1HB GLU 107 HB2 GLU 107 5.842 12.184 -16.285 786 2HB GLU 107 HB3 GLU 107 5.055 13.635 -15.663 787 1HG GLU 107 HG2 GLU 107 4.191 14.172 -17.919 788 2HG GLU 107 HG3 GLU 107 4.946 12.721 -18.567 789 H LYS 108 H LYS 108 8.241 12.788 -15.305 790 HA LYS 108 HA LYS 108 8.100 14.600 -13.071 791 1HB LYS 108 HB2 LYS 108 9.973 12.267 -13.672 792 2HB LYS 108 HB3 LYS 108 9.817 13.059 -12.107 793 1HG LYS 108 HG2 LYS 108 7.575 11.531 -13.497 794 2HG LYS 108 HG3 LYS 108 8.627 10.924 -12.237 795 1HD LYS 108 HD2 LYS 108 7.627 13.224 -11.043 796 2HD LYS 108 HD3 LYS 108 6.297 12.800 -12.117 797 1HE LYS 108 HE2 LYS 108 5.934 11.745 -9.955 798 2HE LYS 108 HE3 LYS 108 6.281 10.486 -11.151 799 1HZ LYS 108 HZ1 LYS 108 7.585 10.112 -9.130 800 2HZ LYS 108 HZ2 LYS 108 8.606 10.525 -10.326 801 3HZ LYS 108 HZ3 LYS 108 8.215 11.630 -9.196 802 H ILE 109 H ILE 109 10.672 13.936 -15.512 803 HA ILE 109 HA ILE 109 12.595 15.669 -14.293 804 HB ILE 109 HB ILE 109 12.309 14.652 -17.138 805 1HG1 ILE 109 HG12 ILE 109 14.304 13.788 -14.986 806 2HG1 ILE 109 HG13 ILE 109 12.772 12.973 -15.214 807 1HG2 ILE 109 HG21 ILE 109 14.763 15.960 -15.886 808 2HG2 ILE 109 HG22 ILE 109 14.646 15.306 -17.514 809 3HG2 ILE 109 HG23 ILE 109 13.714 16.734 -17.098 810 1HD1 ILE 109 HD11 ILE 109 14.458 11.716 -16.383 811 2HD1 ILE 109 HD12 ILE 109 13.416 12.475 -17.601 812 3HD1 ILE 109 HD13 ILE 109 15.028 13.138 -17.255 813 H LYS 110 H LYS 110 10.037 16.295 -16.867 814 HA LYS 110 HA LYS 110 10.837 19.041 -17.132 815 1HB LYS 110 HB2 LYS 110 8.181 17.646 -17.652 816 2HB LYS 110 HB3 LYS 110 8.443 19.373 -17.934 817 1HG LYS 110 HG2 LYS 110 10.307 18.873 -19.489 818 2HG LYS 110 HG3 LYS 110 10.087 17.149 -19.218 819 1HD LYS 110 HD2 LYS 110 9.042 17.663 -21.294 820 2HD LYS 110 HD3 LYS 110 7.750 17.340 -20.128 821 1HE LYS 110 HE2 LYS 110 7.458 19.812 -19.810 822 2HE LYS 110 HE3 LYS 110 8.747 20.111 -20.982 823 1HZ LYS 110 HZ1 LYS 110 6.567 20.287 -21.998 824 2HZ LYS 110 HZ2 LYS 110 7.351 19.024 -22.665 825 3HZ LYS 110 HZ3 LYS 110 6.165 18.770 -21.570 826 H ALA 111 H ALA 111 8.609 17.454 -14.783 827 HA ALA 111 HA ALA 111 7.668 19.869 -13.634 828 1HB ALA 111 HB1 ALA 111 7.017 18.490 -11.723 829 2HB ALA 111 HB2 ALA 111 6.626 17.662 -13.242 830 3HB ALA 111 HB3 ALA 111 8.039 17.159 -12.286 831 H LYS 112 H LYS 112 10.546 17.856 -12.728 832 HA LYS 112 HA LYS 112 11.321 19.719 -10.622 833 1HB LYS 112 HB2 LYS 112 11.667 17.227 -10.599 834 2HB LYS 112 HB3 LYS 112 12.859 17.410 -11.869 835 1HG LYS 112 HG2 LYS 112 14.044 17.241 -9.812 836 2HG LYS 112 HG3 LYS 112 14.173 18.917 -10.313 837 1HD LYS 112 HD2 LYS 112 12.406 19.553 -8.675 838 2HD LYS 112 HD3 LYS 112 12.175 17.847 -8.273 839 1HE LYS 112 HE2 LYS 112 13.506 18.804 -6.538 840 2HE LYS 112 HE3 LYS 112 14.544 17.729 -7.478 841 1HZ LYS 112 HZ1 LYS 112 15.451 19.701 -8.586 842 2HZ LYS 112 HZ2 LYS 112 14.465 20.687 -7.725 843 3HZ LYS 112 HZ3 LYS 112 15.626 19.832 -6.973 844 H TYR 113 H TYR 113 11.910 19.500 -14.013 845 HA TYR 113 HA TYR 113 13.284 20.298 -15.460 846 1HB TYR 113 HB2 TYR 113 13.554 22.760 -15.570 847 2HB TYR 113 HB3 TYR 113 11.933 22.136 -15.452 848 HD1 TYR 113 HD1 TYR 113 10.518 22.518 -13.499 849 HD2 TYR 113 HD2 TYR 113 14.511 24.134 -13.713 850 HE1 TYR 113 HE1 TYR 113 10.003 24.025 -11.603 851 HE2 TYR 113 HE2 TYR 113 14.010 25.647 -11.824 852 HH TYR 113 HH TYR 113 12.415 26.342 -10.272 853 HA PRO 114 HA PRO 114 17.378 19.981 -13.185 854 1HB PRO 114 HB2 PRO 114 17.496 17.487 -14.853 855 2HB PRO 114 HB3 PRO 114 18.073 17.747 -13.179 856 1HG PRO 114 HG2 PRO 114 15.819 16.310 -13.692 857 2HG PRO 114 HG3 PRO 114 15.886 17.445 -12.304 858 1HD PRO 114 HD2 PRO 114 14.716 17.951 -15.064 859 2HD PRO 114 HD3 PRO 114 14.005 18.235 -13.459 860 H ASP 115 H ASP 115 15.909 19.518 -16.333 861 HA ASP 115 HA ASP 115 17.901 21.195 -17.682 862 1HB ASP 115 HB2 ASP 115 18.276 18.754 -18.311 863 2HB ASP 115 HB3 ASP 115 16.633 18.729 -18.953 864 H TYR 116 H TYR 116 16.719 22.313 -19.505 865 HA TYR 116 HA TYR 116 14.433 23.549 -18.366 866 1HB TYR 116 HB2 TYR 116 15.472 23.694 -21.224 867 2HB TYR 116 HB3 TYR 116 14.349 24.823 -20.482 868 HD1 TYR 116 HD1 TYR 116 17.853 23.944 -20.914 869 HD2 TYR 116 HD2 TYR 116 15.108 26.234 -18.493 870 HE1 TYR 116 HE1 TYR 116 19.741 25.295 -20.066 871 HE2 TYR 116 HE2 TYR 116 16.995 27.593 -17.635 872 HH TYR 116 HH TYR 116 20.397 27.044 -18.669 873 H GLU 117 H GLU 117 14.679 20.960 -20.753 874 HA GLU 117 HA GLU 117 11.921 20.218 -20.471 875 1HB GLU 117 HB2 GLU 117 11.715 21.966 -22.227 876 2HB GLU 117 HB3 GLU 117 12.986 21.185 -23.180 877 1HG GLU 117 HG2 GLU 117 11.529 19.232 -23.542 878 2HG GLU 117 HG3 GLU 117 10.297 19.923 -22.480 879 H VAL 118 H VAL 118 11.714 18.031 -21.671 880 HA VAL 118 HA VAL 118 14.118 16.864 -22.779 881 HB VAL 118 HB VAL 118 13.874 14.778 -21.425 882 1HG1 VAL 118 HG11 VAL 118 15.627 16.540 -20.984 883 2HG1 VAL 118 HG12 VAL 118 14.645 17.095 -19.622 884 3HG1 VAL 118 HG13 VAL 118 15.278 15.433 -19.646 885 1HG2 VAL 118 HG21 VAL 118 12.383 16.432 -19.348 886 2HG2 VAL 118 HG22 VAL 118 11.564 15.330 -20.464 887 3HG2 VAL 118 HG23 VAL 118 12.769 14.696 -19.332 888 H THR 119 H THR 119 13.499 14.781 -23.885 889 HA THR 119 HA THR 119 10.606 14.361 -24.282 890 HB THR 119 HB THR 119 11.179 14.086 -26.782 891 HG1 THR 119 HG1 THR 119 12.896 15.409 -27.487 892 1HG2 THR 119 HG21 THR 119 11.278 16.915 -25.652 893 2HG2 THR 119 HG22 THR 119 10.761 16.424 -27.282 894 3HG2 THR 119 HG23 THR 119 9.804 15.946 -25.872 895 H TRP 120 H TRP 120 10.382 12.206 -25.656 896 HA TRP 120 HA TRP 120 12.594 10.374 -25.181 897 1HB TRP 120 HB2 TRP 120 11.339 8.702 -24.060 898 2HB TRP 120 HB3 TRP 120 11.121 10.165 -23.127 899 HD1 TRP 120 HD1 TRP 120 8.580 11.427 -23.938 900 HE1 TRP 120 HE1 TRP 120 6.314 10.280 -24.041 901 HE3 TRP 120 HE3 TRP 120 10.181 6.615 -24.561 902 HZ2 TRP 120 HZ2 TRP 120 5.299 7.561 -24.286 903 HZ3 TRP 120 HZ3 TRP 120 8.550 4.762 -24.682 904 HH2 TRP 120 HH2 TRP 120 6.106 5.218 -24.551 905 H ALA 121 H ALA 121 12.356 8.384 -26.383 906 HA ALA 121 HA ALA 121 10.080 8.107 -28.160 907 1HB ALA 121 HB1 ALA 121 12.923 8.347 -29.289 908 2HB ALA 121 HB2 ALA 121 11.490 7.833 -30.204 909 3HB ALA 121 HB3 ALA 121 11.590 9.489 -29.575 910 H ASN 122 H ASN 122 9.574 5.966 -28.010 911 HA ASN 122 HA ASN 122 11.233 4.043 -26.687 912 1HB ASN 122 HB2 ASN 122 8.786 3.875 -26.773 913 2HB ASN 122 HB3 ASN 122 8.827 3.716 -28.530 914 1HD2 ASN 122 HD22 ASN 122 9.978 2.080 -25.500 915 2HD2 ASN 122 HD21 ASN 122 9.953 0.481 -26.188 916 H ASP 123 H ASP 123 11.018 5.065 -30.031 917 HA ASP 123 HA ASP 123 12.132 2.820 -31.345 918 1HB ASP 123 HB2 ASP 123 10.968 4.667 -32.481 919 2HB ASP 123 HB3 ASP 123 12.252 5.784 -31.997 920 H GLY 124 H GLY 124 13.695 5.434 -29.542 921 1HA GLY 124 HA2 GLY 124 16.318 5.110 -30.731 922 2HA GLY 124 HA3 GLY 124 15.927 6.036 -29.288 923 H TYR 125 H TYR 125 18.235 4.298 -29.670 924 HA TYR 125 HA TYR 125 18.038 2.562 -27.367 925 1HB TYR 125 HB2 TYR 125 18.746 0.545 -28.515 926 2HB TYR 125 HB3 TYR 125 17.193 1.060 -29.133 927 HD1 TYR 125 HD1 TYR 125 20.775 0.606 -29.912 928 HD2 TYR 125 HD2 TYR 125 16.966 1.919 -31.448 929 HE1 TYR 125 HE1 TYR 125 21.684 0.529 -32.217 930 HE2 TYR 125 HE2 TYR 125 17.858 1.850 -33.754 931 HH TYR 125 HH TYR 125 19.711 1.398 -35.097 Start of MODEL 20 1 1H MET 1 H1 MET 1 12.411 10.303 16.458 2 2H MET 1 H2 MET 1 13.984 10.229 16.922 3 3H MET 1 H3 MET 1 13.357 11.629 16.345 4 HA MET 1 HA MET 1 14.720 10.623 14.673 5 1HB MET 1 HB2 MET 1 14.484 8.290 15.434 6 2HB MET 1 HB3 MET 1 12.792 8.270 14.934 7 1HG MET 1 HG2 MET 1 14.263 7.163 13.297 8 2HG MET 1 HG3 MET 1 13.404 8.528 12.608 9 1HE MET 1 HE1 MET 1 17.965 8.286 13.411 10 2HE MET 1 HE2 MET 1 16.806 8.240 14.755 11 3HE MET 1 HE3 MET 1 16.815 6.938 13.542 12 H ALA 2 H ALA 2 14.262 11.831 12.903 13 HA ALA 2 HA ALA 2 11.607 12.798 12.320 14 1HB ALA 2 HB1 ALA 2 13.651 14.086 11.778 15 2HB ALA 2 HB2 ALA 2 14.161 12.812 10.640 16 3HB ALA 2 HB3 ALA 2 12.696 13.762 10.319 17 H VAL 3 H VAL 3 10.296 12.271 10.500 18 HA VAL 3 HA VAL 3 10.791 9.615 9.247 19 HB VAL 3 HB VAL 3 8.080 10.672 10.154 20 1HG1 VAL 3 HG11 VAL 3 8.988 7.909 9.218 21 2HG1 VAL 3 HG12 VAL 3 7.365 8.313 9.808 22 3HG1 VAL 3 HG13 VAL 3 7.961 9.039 8.320 23 1HG2 VAL 3 HG21 VAL 3 8.133 8.979 11.961 24 2HG2 VAL 3 HG22 VAL 3 9.839 8.651 11.603 25 3HG2 VAL 3 HG23 VAL 3 9.334 10.243 12.203 26 H ALA 4 H ALA 4 10.929 9.852 7.093 27 HA ALA 4 HA ALA 4 10.163 12.284 5.710 28 1HB ALA 4 HB1 ALA 4 12.098 10.876 5.015 29 2HB ALA 4 HB2 ALA 4 10.979 9.558 4.598 30 3HB ALA 4 HB3 ALA 4 10.925 11.089 3.709 31 H ASP 5 H ASP 5 8.858 11.770 3.515 32 HA ASP 5 HA ASP 5 6.616 9.942 3.796 33 1HB ASP 5 HB2 ASP 5 5.724 11.935 4.972 34 2HB ASP 5 HB3 ASP 5 6.203 12.964 3.620 35 H LEU 6 H LEU 6 5.574 9.765 1.585 36 HA LEU 6 HA LEU 6 7.519 9.840 -0.467 37 1HB LEU 6 HB2 LEU 6 4.478 9.635 -0.595 38 2HB LEU 6 HB3 LEU 6 5.539 9.421 -1.962 39 HG LEU 6 HG LEU 6 5.199 7.627 0.433 40 1HD1 LEU 6 HD11 LEU 6 5.182 7.184 -2.589 41 2HD1 LEU 6 HD12 LEU 6 4.873 5.943 -1.365 42 3HD1 LEU 6 HD13 LEU 6 3.750 7.303 -1.541 43 1HD2 LEU 6 HD21 LEU 6 7.596 7.676 0.277 44 2HD2 LEU 6 HD22 LEU 6 7.037 6.174 -0.448 45 3HD2 LEU 6 HD23 LEU 6 7.546 7.508 -1.500 46 H ALA 7 H ALA 7 5.207 12.395 0.523 47 HA ALA 7 HA ALA 7 5.551 13.940 -1.853 48 1HB ALA 7 HB1 ALA 7 3.694 14.294 -0.258 49 2HB ALA 7 HB2 ALA 7 4.860 14.830 0.978 50 3HB ALA 7 HB3 ALA 7 4.632 15.780 -0.503 51 H LEU 8 H LEU 8 7.575 13.398 0.966 52 HA LEU 8 HA LEU 8 9.142 15.870 0.588 53 1HB LEU 8 HB2 LEU 8 9.365 13.641 2.650 54 2HB LEU 8 HB3 LEU 8 10.327 15.110 2.630 55 HG LEU 8 HG LEU 8 7.298 15.020 2.989 56 1HD1 LEU 8 HD11 LEU 8 9.525 15.515 5.010 57 2HD1 LEU 8 HD12 LEU 8 7.781 15.635 5.326 58 3HD1 LEU 8 HD13 LEU 8 8.490 14.072 4.914 59 1HD2 LEU 8 HD21 LEU 8 7.957 17.146 1.971 60 2HD2 LEU 8 HD22 LEU 8 7.546 17.404 3.666 61 3HD2 LEU 8 HD23 LEU 8 9.253 17.355 3.173 62 H ILE 9 H ILE 9 9.429 12.345 0.058 63 HA ILE 9 HA ILE 9 12.216 12.223 -0.375 64 HB ILE 9 HB ILE 9 9.962 10.620 -1.642 65 1HG1 ILE 9 HG12 ILE 9 11.898 10.028 0.665 66 2HG1 ILE 9 HG13 ILE 9 10.207 10.473 0.853 67 1HG2 ILE 9 HG21 ILE 9 11.687 8.946 -2.254 68 2HG2 ILE 9 HG22 ILE 9 11.965 10.461 -3.085 69 3HG2 ILE 9 HG23 ILE 9 12.960 10.043 -1.676 70 1HD1 ILE 9 HD11 ILE 9 10.218 8.156 1.120 71 2HD1 ILE 9 HD12 ILE 9 9.645 8.400 -0.547 72 3HD1 ILE 9 HD13 ILE 9 11.323 7.893 -0.239 73 HA PRO 10 HA PRO 10 12.379 14.993 -3.994 74 1HB PRO 10 HB2 PRO 10 14.969 13.502 -4.460 75 2HB PRO 10 HB3 PRO 10 14.655 15.264 -4.534 76 1HG PRO 10 HG2 PRO 10 15.877 14.173 -2.370 77 2HG PRO 10 HG3 PRO 10 14.617 15.431 -2.154 78 1HD PRO 10 HD2 PRO 10 14.340 12.431 -1.875 79 2HD PRO 10 HD3 PRO 10 13.699 13.735 -0.830 80 H ASP 11 H ASP 11 11.631 14.671 -6.103 81 HA ASP 11 HA ASP 11 10.994 11.934 -6.873 82 1HB ASP 11 HB2 ASP 11 10.324 14.670 -7.962 83 2HB ASP 11 HB3 ASP 11 10.058 13.227 -8.941 84 H VAL 12 H VAL 12 13.269 14.448 -8.035 85 HA VAL 12 HA VAL 12 14.453 12.450 -9.911 86 HB VAL 12 HB VAL 12 13.815 15.354 -10.533 87 1HG1 VAL 12 HG11 VAL 12 14.858 13.158 -12.373 88 2HG1 VAL 12 HG12 VAL 12 14.478 14.842 -12.819 89 3HG1 VAL 12 HG13 VAL 12 15.819 14.514 -11.738 90 1HG2 VAL 12 HG21 VAL 12 12.238 14.415 -12.237 91 2HG2 VAL 12 HG22 VAL 12 12.395 12.836 -11.440 92 3HG2 VAL 12 HG23 VAL 12 11.710 14.228 -10.569 93 H ASP 13 H ASP 13 16.638 12.487 -9.937 94 HA ASP 13 HA ASP 13 18.154 14.869 -9.393 95 1HB ASP 13 HB2 ASP 13 17.958 14.112 -7.062 96 2HB ASP 13 HB3 ASP 13 18.457 12.481 -7.519 97 H ILE 14 H ILE 14 19.477 14.741 -11.163 98 HA ILE 14 HA ILE 14 20.618 12.176 -11.994 99 HB ILE 14 HB ILE 14 19.897 12.550 -14.344 100 1HG1 ILE 14 HG12 ILE 14 17.836 14.528 -13.256 101 2HG1 ILE 14 HG13 ILE 14 19.279 14.982 -14.172 102 1HG2 ILE 14 HG21 ILE 14 17.472 12.170 -12.545 103 2HG2 ILE 14 HG22 ILE 14 17.773 11.459 -14.146 104 3HG2 ILE 14 HG23 ILE 14 18.745 10.960 -12.767 105 1HD1 ILE 14 HD11 ILE 14 18.443 13.619 -16.100 106 2HD1 ILE 14 HD12 ILE 14 16.947 13.312 -15.187 107 3HD1 ILE 14 HD13 ILE 14 17.371 14.963 -15.647 108 H ASP 15 H ASP 15 22.470 12.454 -13.367 109 HA ASP 15 HA ASP 15 23.334 15.160 -14.098 110 1HB ASP 15 HB2 ASP 15 24.184 15.118 -11.809 111 2HB ASP 15 HB3 ASP 15 24.901 13.523 -12.064 112 H SER 16 H SER 16 23.886 14.790 -16.200 113 HA SER 16 HA SER 16 25.841 12.758 -16.904 114 1HB SER 16 HB2 SER 16 22.943 12.609 -17.873 115 2HB SER 16 HB3 SER 16 24.287 11.731 -18.621 116 HG SER 16 HG SER 16 24.119 11.475 -15.885 117 H ASP 17 H ASP 17 26.528 13.017 -19.134 118 HA ASP 17 HA ASP 17 25.477 15.126 -20.812 119 1HB ASP 17 HB2 ASP 17 27.074 16.442 -19.504 120 2HB ASP 17 HB3 ASP 17 28.320 15.207 -19.724 121 H GLY 18 H GLY 18 26.494 14.814 -23.027 122 1HA GLY 18 HA2 GLY 18 27.019 13.373 -24.765 123 2HA GLY 18 HA3 GLY 18 27.936 12.373 -23.625 124 H VAL 19 H VAL 19 26.993 10.452 -22.909 125 HA VAL 19 HA VAL 19 24.101 10.057 -23.016 126 HB VAL 19 HB VAL 19 26.020 8.203 -24.507 127 1HG1 VAL 19 HG11 VAL 19 24.118 7.021 -23.465 128 2HG1 VAL 19 HG12 VAL 19 22.981 8.115 -24.283 129 3HG1 VAL 19 HG13 VAL 19 24.000 7.005 -25.227 130 1HG2 VAL 19 HG21 VAL 19 25.683 10.159 -25.924 131 2HG2 VAL 19 HG22 VAL 19 24.766 8.804 -26.573 132 3HG2 VAL 19 HG23 VAL 19 23.924 10.080 -25.670 133 H PHE 20 H PHE 20 23.530 8.803 -21.220 134 HA PHE 20 HA PHE 20 25.347 6.875 -20.027 135 1HB PHE 20 HB2 PHE 20 24.664 9.460 -18.600 136 2HB PHE 20 HB3 PHE 20 24.984 7.999 -17.694 137 HD1 PHE 20 HD1 PHE 20 27.209 6.694 -18.240 138 HD2 PHE 20 HD2 PHE 20 26.520 10.859 -19.112 139 HE1 PHE 20 HE1 PHE 20 29.656 7.089 -18.296 140 HE2 PHE 20 HE2 PHE 20 28.969 11.252 -19.171 141 HZ PHE 20 HZ PHE 20 30.544 9.367 -18.766 142 H LYS 21 H LYS 21 24.140 5.965 -17.933 143 HA LYS 21 HA LYS 21 21.491 5.222 -19.032 144 1HB LYS 21 HB2 LYS 21 23.346 3.856 -17.042 145 2HB LYS 21 HB3 LYS 21 21.787 3.215 -17.571 146 1HG LYS 21 HG2 LYS 21 22.546 2.998 -19.867 147 2HG LYS 21 HG3 LYS 21 24.072 3.821 -19.498 148 1HD LYS 21 HD2 LYS 21 24.661 2.018 -17.904 149 2HD LYS 21 HD3 LYS 21 23.189 1.137 -18.360 150 1HE LYS 21 HE2 LYS 21 23.972 1.021 -20.708 151 2HE LYS 21 HE3 LYS 21 25.399 1.981 -20.292 152 1HZ LYS 21 HZ1 LYS 21 25.980 -0.324 -20.351 153 2HZ LYS 21 HZ2 LYS 21 26.077 0.174 -18.792 154 3HZ LYS 21 HZ3 LYS 21 24.807 -0.743 -19.299 155 H TYR 22 H TYR 22 19.753 4.627 -17.501 156 HA TYR 22 HA TYR 22 19.786 5.967 -14.896 157 1HB TYR 22 HB2 TYR 22 18.430 7.668 -15.385 158 2HB TYR 22 HB3 TYR 22 18.823 7.397 -17.059 159 HD1 TYR 22 HD1 TYR 22 16.214 7.654 -14.663 160 HD2 TYR 22 HD2 TYR 22 17.298 5.598 -18.286 161 HE1 TYR 22 HE1 TYR 22 13.842 7.026 -15.007 162 HE2 TYR 22 HE2 TYR 22 14.948 4.891 -18.592 163 HH TYR 22 HH TYR 22 12.324 5.993 -16.402 164 H VAL 23 H VAL 23 17.559 5.495 -13.792 165 HA VAL 23 HA VAL 23 16.285 3.012 -14.656 166 HB VAL 23 HB VAL 23 18.288 2.431 -13.206 167 1HG1 VAL 23 HG11 VAL 23 16.630 3.632 -10.950 168 2HG1 VAL 23 HG12 VAL 23 18.136 2.716 -10.785 169 3HG1 VAL 23 HG13 VAL 23 18.129 4.305 -11.586 170 1HG2 VAL 23 HG21 VAL 23 16.468 0.848 -13.506 171 2HG2 VAL 23 HG22 VAL 23 17.159 0.740 -11.886 172 3HG2 VAL 23 HG23 VAL 23 15.593 1.546 -12.125 173 H LEU 24 H LEU 24 14.201 2.728 -13.577 174 HA LEU 24 HA LEU 24 13.100 5.214 -12.337 175 1HB LEU 24 HB2 LEU 24 12.277 4.701 -14.678 176 2HB LEU 24 HB3 LEU 24 11.709 3.145 -14.097 177 HG LEU 24 HG LEU 24 10.175 4.431 -12.471 178 1HD1 LEU 24 HD11 LEU 24 11.384 6.606 -12.527 179 2HD1 LEU 24 HD12 LEU 24 10.977 6.779 -14.249 180 3HD1 LEU 24 HD13 LEU 24 9.704 6.772 -13.013 181 1HD2 LEU 24 HD21 LEU 24 8.520 4.951 -14.189 182 2HD2 LEU 24 HD22 LEU 24 9.772 4.932 -15.447 183 3HD2 LEU 24 HD23 LEU 24 9.349 3.437 -14.569 184 H ILE 25 H ILE 25 12.546 4.741 -10.157 185 HA ILE 25 HA ILE 25 11.930 1.892 -9.598 186 HB ILE 25 HB ILE 25 13.437 1.566 -8.138 187 1HG1 ILE 25 HG12 ILE 25 13.420 4.336 -6.940 188 2HG1 ILE 25 HG13 ILE 25 12.350 3.033 -6.428 189 1HG2 ILE 25 HG21 ILE 25 15.601 2.656 -8.320 190 2HG2 ILE 25 HG22 ILE 25 14.847 2.559 -9.907 191 3HG2 ILE 25 HG23 ILE 25 14.855 4.104 -9.003 192 1HD1 ILE 25 HD11 ILE 25 15.365 3.049 -6.181 193 2HD1 ILE 25 HD12 ILE 25 14.154 3.097 -4.894 194 3HD1 ILE 25 HD13 ILE 25 14.325 1.630 -5.880 195 H ARG 26 H ARG 26 10.251 1.427 -8.410 196 HA ARG 26 HA ARG 26 8.394 3.575 -7.633 197 1HB ARG 26 HB2 ARG 26 7.579 1.500 -8.664 198 2HB ARG 26 HB3 ARG 26 8.258 0.532 -7.359 199 1HG ARG 26 HG2 ARG 26 6.690 1.308 -5.775 200 2HG ARG 26 HG3 ARG 26 6.287 2.753 -6.709 201 1HD ARG 26 HD2 ARG 26 5.614 -0.062 -7.649 202 2HD ARG 26 HD3 ARG 26 4.508 0.955 -6.698 203 HE ARG 26 HE ARG 26 5.247 2.625 -8.720 204 1HH1 ARG 26 HH21 ARG 26 3.742 -0.600 -8.731 205 2HH1 ARG 26 HH22 ARG 26 2.948 -0.367 -10.243 206 1HH2 ARG 26 HH11 ARG 26 4.248 2.939 -10.702 207 2HH2 ARG 26 HH12 ARG 26 3.227 1.711 -11.391 208 H VAL 27 H VAL 27 7.954 4.060 -5.479 209 HA VAL 27 HA VAL 27 9.621 2.863 -3.323 210 HB VAL 27 HB VAL 27 8.788 5.780 -3.609 211 1HG1 VAL 27 HG11 VAL 27 9.230 5.009 -1.300 212 2HG1 VAL 27 HG12 VAL 27 10.875 4.545 -1.791 213 3HG1 VAL 27 HG13 VAL 27 10.372 6.244 -1.846 214 1HG2 VAL 27 HG21 VAL 27 11.081 6.407 -4.150 215 2HG2 VAL 27 HG22 VAL 27 11.523 4.684 -4.308 216 3HG2 VAL 27 HG23 VAL 27 10.353 5.440 -5.422 217 H HIS 28 H HIS 28 8.191 1.954 -1.870 218 HA HIS 28 HA HIS 28 5.326 2.758 -1.854 219 1HB HIS 28 HB2 HIS 28 6.824 0.574 -0.359 220 2HB HIS 28 HB3 HIS 28 5.077 0.811 -0.397 221 HD1 HIS 28 HD1 HIS 28 4.234 0.868 -3.302 222 HD2 HIS 28 HD2 HIS 28 7.562 -1.335 -1.951 223 HE1 HIS 28 HE1 HIS 28 4.636 -0.959 -5.024 224 H SER 29 H SER 29 4.340 3.584 0.008 225 HA SER 29 HA SER 29 5.862 5.297 1.710 226 1HB SER 29 HB2 SER 29 3.039 4.262 2.118 227 2HB SER 29 HB3 SER 29 3.760 5.682 2.881 228 HG SER 29 HG SER 29 3.212 5.266 0.117 229 H ALA 30 H ALA 30 7.458 4.083 2.817 230 HA ALA 30 HA ALA 30 6.386 2.941 5.286 231 1HB ALA 30 HB1 ALA 30 8.426 1.378 3.650 232 2HB ALA 30 HB2 ALA 30 7.780 0.939 5.238 233 3HB ALA 30 HB3 ALA 30 6.712 0.968 3.833 234 HA PRO 31 HA PRO 31 10.634 5.440 5.653 235 1HB PRO 31 HB2 PRO 31 8.544 7.516 6.360 236 2HB PRO 31 HB3 PRO 31 10.286 7.763 5.993 237 1HG PRO 31 HG2 PRO 31 8.458 8.091 4.025 238 2HG PRO 31 HG3 PRO 31 9.952 7.167 3.690 239 1HD PRO 31 HD2 PRO 31 7.175 6.135 4.241 240 2HD PRO 31 HD3 PRO 31 8.418 5.525 3.114 241 H ARG 32 H ARG 32 11.526 5.187 7.544 242 HA ARG 32 HA ARG 32 11.909 4.145 9.491 243 1HB ARG 32 HB2 ARG 32 9.933 6.186 10.545 244 2HB ARG 32 HB3 ARG 32 11.279 5.468 11.421 245 1HG ARG 32 HG2 ARG 32 11.548 7.352 9.027 246 2HG ARG 32 HG3 ARG 32 11.722 7.768 10.732 247 1HD ARG 32 HD2 ARG 32 13.671 6.190 10.866 248 2HD ARG 32 HD3 ARG 32 13.534 5.964 9.109 249 HE ARG 32 HE ARG 32 13.648 8.738 10.105 250 1HH1 ARG 32 HH11 ARG 32 15.543 6.080 8.653 251 2HH1 ARG 32 HH12 ARG 32 16.867 7.091 8.233 252 1HH2 ARG 32 HH21 ARG 32 15.364 10.062 9.481 253 2HH2 ARG 32 HH22 ARG 32 16.743 9.426 8.665 254 H SER 33 H SER 33 9.654 2.844 8.035 255 HA SER 33 HA SER 33 8.026 1.360 8.288 256 1HB SER 33 HB2 SER 33 9.339 0.690 10.945 257 2HB SER 33 HB3 SER 33 8.338 -0.374 9.943 258 HG SER 33 HG SER 33 10.584 -0.745 9.655 259 H GLY 34 H GLY 34 7.402 4.070 9.197 260 1HA GLY 34 HA2 GLY 34 5.061 3.484 10.934 261 2HA GLY 34 HA3 GLY 34 6.265 4.670 11.468 262 H ALA 35 H ALA 35 5.664 4.426 8.031 263 HA ALA 35 HA ALA 35 4.709 7.113 7.800 264 1HB ALA 35 HB1 ALA 35 5.963 5.957 6.044 265 2HB ALA 35 HB2 ALA 35 4.630 4.791 5.819 266 3HB ALA 35 HB3 ALA 35 4.398 6.507 5.419 267 HA PRO 36 HA PRO 36 0.489 6.466 8.730 268 1HB PRO 36 HB2 PRO 36 -0.779 8.589 7.576 269 2HB PRO 36 HB3 PRO 36 0.466 8.787 8.845 270 1HG PRO 36 HG2 PRO 36 0.853 8.936 5.832 271 2HG PRO 36 HG3 PRO 36 1.358 10.136 7.070 272 1HD PRO 36 HD2 PRO 36 3.079 8.256 6.126 273 2HD PRO 36 HD3 PRO 36 3.096 8.741 7.847 274 H ALA 37 H ALA 37 1.394 5.741 5.544 275 HA ALA 37 HA ALA 37 -1.250 4.691 4.795 276 1HB ALA 37 HB1 ALA 37 -1.283 5.990 2.701 277 2HB ALA 37 HB2 ALA 37 -1.233 7.094 4.086 278 3HB ALA 37 HB3 ALA 37 0.244 6.790 3.146 279 H ALA 38 H ALA 38 -0.892 3.835 2.363 280 HA ALA 38 HA ALA 38 1.795 2.649 1.989 281 1HB ALA 38 HB1 ALA 38 0.423 0.957 3.163 282 2HB ALA 38 HB2 ALA 38 -0.791 1.061 1.862 283 3HB ALA 38 HB3 ALA 38 0.854 0.473 1.513 284 H GLU 39 H GLU 39 0.741 4.948 0.786 285 HA GLU 39 HA GLU 39 -0.089 4.241 -1.920 286 1HB GLU 39 HB2 GLU 39 0.970 6.841 -0.704 287 2HB GLU 39 HB3 GLU 39 0.407 6.665 -2.371 288 1HG GLU 39 HG2 GLU 39 -1.837 5.961 -1.519 289 2HG GLU 39 HG3 GLU 39 -1.289 6.271 0.129 290 H SER 40 H SER 40 1.495 5.192 -3.743 291 HA SER 40 HA SER 40 4.312 4.606 -3.095 292 1HB SER 40 HB2 SER 40 2.958 3.428 -5.535 293 2HB SER 40 HB3 SER 40 4.604 3.144 -4.956 294 HG SER 40 HG SER 40 2.177 2.367 -3.693 295 H LYS 41 H LYS 41 5.783 5.382 -4.774 296 HA LYS 41 HA LYS 41 4.721 7.287 -6.761 297 1HB LYS 41 HB2 LYS 41 6.260 9.041 -6.175 298 2HB LYS 41 HB3 LYS 41 5.347 8.659 -4.717 299 1HG LYS 41 HG2 LYS 41 7.234 7.290 -3.885 300 2HG LYS 41 HG3 LYS 41 8.184 7.652 -5.330 301 1HD LYS 41 HD2 LYS 41 7.272 9.664 -3.278 302 2HD LYS 41 HD3 LYS 41 8.893 8.950 -3.398 303 1HE LYS 41 HE2 LYS 41 9.472 10.129 -5.255 304 2HE LYS 41 HE3 LYS 41 7.808 10.347 -5.820 305 1HZ LYS 41 HZ1 LYS 41 9.248 11.942 -3.813 306 2HZ LYS 41 HZ2 LYS 41 8.360 12.445 -5.081 307 3HZ LYS 41 HZ3 LYS 41 7.629 11.847 -3.728 308 H GLU 42 H GLU 42 6.517 7.807 -8.362 309 HA GLU 42 HA GLU 42 8.591 5.665 -8.485 310 1HB GLU 42 HB2 GLU 42 7.008 7.112 -10.629 311 2HB GLU 42 HB3 GLU 42 8.678 6.649 -10.934 312 1HG GLU 42 HG2 GLU 42 7.404 4.923 -11.826 313 2HG GLU 42 HG3 GLU 42 8.135 4.287 -10.359 314 H ILE 43 H ILE 43 10.685 6.395 -8.416 315 HA ILE 43 HA ILE 43 11.170 9.317 -8.786 316 HB ILE 43 HB ILE 43 13.158 9.074 -7.400 317 1HG1 ILE 43 HG12 ILE 43 12.182 6.284 -6.705 318 2HG1 ILE 43 HG13 ILE 43 13.577 6.643 -7.721 319 1HG2 ILE 43 HG21 ILE 43 10.942 9.798 -6.520 320 2HG2 ILE 43 HG22 ILE 43 10.677 8.155 -5.897 321 3HG2 ILE 43 HG23 ILE 43 12.016 9.155 -5.277 322 1HD1 ILE 43 HD11 ILE 43 13.327 7.380 -4.776 323 2HD1 ILE 43 HD12 ILE 43 14.278 6.065 -5.466 324 3HD1 ILE 43 HD13 ILE 43 14.712 7.747 -5.832 325 H VAL 44 H VAL 44 13.087 9.903 -9.838 326 HA VAL 44 HA VAL 44 13.962 7.956 -11.936 327 HB VAL 44 HB VAL 44 13.564 10.983 -11.975 328 1HG1 VAL 44 HG11 VAL 44 13.969 10.877 -14.387 329 2HG1 VAL 44 HG12 VAL 44 15.396 10.347 -13.494 330 3HG1 VAL 44 HG13 VAL 44 14.336 9.150 -14.272 331 1HG2 VAL 44 HG21 VAL 44 11.391 9.785 -12.022 332 2HG2 VAL 44 HG22 VAL 44 11.740 10.581 -13.556 333 3HG2 VAL 44 HG23 VAL 44 11.964 8.831 -13.410 334 H ARG 45 H ARG 45 16.127 7.475 -11.818 335 HA ARG 45 HA ARG 45 18.020 9.499 -10.749 336 1HB ARG 45 HB2 ARG 45 17.882 6.560 -9.902 337 2HB ARG 45 HB3 ARG 45 19.230 7.631 -9.548 338 1HG ARG 45 HG2 ARG 45 16.382 7.942 -8.516 339 2HG ARG 45 HG3 ARG 45 17.745 7.345 -7.608 340 1HD ARG 45 HD2 ARG 45 18.363 9.361 -6.957 341 2HD ARG 45 HD3 ARG 45 18.527 9.898 -8.621 342 HE ARG 45 HE ARG 45 16.233 10.507 -8.694 343 1HH1 ARG 45 HH21 ARG 45 17.417 9.970 -5.379 344 2HH1 ARG 45 HH22 ARG 45 15.982 10.561 -4.627 345 1HH2 ARG 45 HH11 ARG 45 14.311 11.210 -7.701 346 2HH2 ARG 45 HH12 ARG 45 14.176 11.299 -5.987 347 H GLY 46 H GLY 46 20.084 9.327 -11.725 348 1HA GLY 46 HA2 GLY 46 20.959 7.237 -13.423 349 2HA GLY 46 HA3 GLY 46 20.135 8.472 -14.399 350 H TYR 47 H TYR 47 23.129 7.602 -13.561 351 HA TYR 47 HA TYR 47 24.127 10.376 -13.442 352 1HB TYR 47 HB2 TYR 47 24.976 8.271 -11.437 353 2HB TYR 47 HB3 TYR 47 25.530 9.933 -11.527 354 HD1 TYR 47 HD1 TYR 47 24.084 11.799 -10.706 355 HD2 TYR 47 HD2 TYR 47 22.884 7.679 -10.437 356 HE1 TYR 47 HE1 TYR 47 22.449 12.402 -8.947 357 HE2 TYR 47 HE2 TYR 47 21.249 8.257 -8.658 358 HH TYR 47 HH TYR 47 20.912 11.607 -7.400 359 H LYS 48 H LYS 48 26.244 10.556 -14.195 360 HA LYS 48 HA LYS 48 27.234 8.735 -16.031 361 1HB LYS 48 HB2 LYS 48 29.303 10.023 -15.983 362 2HB LYS 48 HB3 LYS 48 27.882 11.065 -15.959 363 1HG LYS 48 HG2 LYS 48 28.198 11.272 -13.430 364 2HG LYS 48 HG3 LYS 48 29.739 10.411 -13.628 365 1HD LYS 48 HD2 LYS 48 30.448 12.181 -15.272 366 2HD LYS 48 HD3 LYS 48 28.952 13.057 -14.940 367 1HE LYS 48 HE2 LYS 48 31.178 12.436 -12.942 368 2HE LYS 48 HE3 LYS 48 30.860 13.993 -13.710 369 1HZ LYS 48 HZ1 LYS 48 29.917 14.049 -11.563 370 2HZ LYS 48 HZ2 LYS 48 28.640 13.951 -12.588 371 3HZ LYS 48 HZ3 LYS 48 29.127 12.636 -11.743 372 H TRP 49 H TRP 49 27.788 8.637 -12.506 373 HA TRP 49 HA TRP 49 29.955 6.744 -12.757 374 1HB TRP 49 HB2 TRP 49 29.595 6.454 -10.278 375 2HB TRP 49 HB3 TRP 49 30.081 8.025 -10.865 376 HD1 TRP 49 HD1 TRP 49 28.823 10.019 -9.984 377 HE1 TRP 49 HE1 TRP 49 26.728 10.440 -8.595 378 HE3 TRP 49 HE3 TRP 49 26.940 5.253 -9.900 379 HZ2 TRP 49 HZ2 TRP 49 24.483 8.899 -7.576 380 HZ3 TRP 49 HZ3 TRP 49 24.781 4.790 -8.830 381 HH2 TRP 49 HH2 TRP 49 23.517 6.600 -7.670 382 H ALA 50 H ALA 50 26.424 6.322 -12.802 383 HA ALA 50 HA ALA 50 26.683 3.477 -12.114 384 1HB ALA 50 HB1 ALA 50 24.259 5.097 -12.942 385 2HB ALA 50 HB2 ALA 50 24.299 3.371 -12.479 386 3HB ALA 50 HB3 ALA 50 24.735 4.605 -11.292 387 H GLU 51 H GLU 51 28.188 2.967 -13.789 388 HA GLU 51 HA GLU 51 27.556 3.177 -16.575 389 1HB GLU 51 HB2 GLU 51 29.422 1.271 -15.096 390 2HB GLU 51 HB3 GLU 51 29.384 1.520 -16.849 391 1HG GLU 51 HG2 GLU 51 29.876 3.962 -16.459 392 2HG GLU 51 HG3 GLU 51 30.072 3.610 -14.743 393 H TYR 52 H TYR 52 25.970 1.314 -14.235 394 HA TYR 52 HA TYR 52 24.654 -0.273 -16.287 395 1HB TYR 52 HB2 TYR 52 24.729 -2.273 -14.611 396 2HB TYR 52 HB3 TYR 52 25.987 -2.026 -15.802 397 HD1 TYR 52 HD1 TYR 52 28.144 -0.929 -15.150 398 HD2 TYR 52 HD2 TYR 52 25.312 -2.383 -12.266 399 HE1 TYR 52 HE1 TYR 52 29.940 -0.956 -13.420 400 HE2 TYR 52 HE2 TYR 52 27.078 -2.446 -10.531 401 HH TYR 52 HH TYR 52 29.320 -2.031 -10.040 402 H HIS 53 H HIS 53 22.492 -0.637 -15.733 403 HA HIS 53 HA HIS 53 21.271 1.259 -14.071 404 1HB HIS 53 HB2 HIS 53 19.959 -1.348 -14.900 405 2HB HIS 53 HB3 HIS 53 19.198 0.220 -14.650 406 HD1 HIS 53 HD1 HIS 53 19.407 1.976 -16.769 407 HD2 HIS 53 HD2 HIS 53 21.165 -1.833 -17.225 408 HE1 HIS 53 HE1 HIS 53 20.071 1.748 -19.230 409 H ALA 54 H ALA 54 22.236 -2.092 -13.351 410 HA ALA 54 HA ALA 54 20.771 -2.388 -10.937 411 1HB ALA 54 HB1 ALA 54 21.823 -4.280 -12.116 412 2HB ALA 54 HB2 ALA 54 23.438 -3.636 -11.733 413 3HB ALA 54 HB3 ALA 54 22.368 -4.187 -10.432 414 H ASP 55 H ASP 55 23.723 -0.523 -11.623 415 HA ASP 55 HA ASP 55 24.701 -0.476 -8.928 416 1HB ASP 55 HB2 ASP 55 25.946 0.278 -11.088 417 2HB ASP 55 HB3 ASP 55 25.039 1.758 -10.961 418 H ILE 56 H ILE 56 22.589 1.728 -10.817 419 HA ILE 56 HA ILE 56 22.145 3.474 -8.561 420 HB ILE 56 HB ILE 56 20.027 4.046 -10.180 421 1HG1 ILE 56 HG12 ILE 56 22.149 2.970 -12.064 422 2HG1 ILE 56 HG13 ILE 56 20.417 2.622 -11.995 423 1HG2 ILE 56 HG21 ILE 56 21.247 6.013 -10.779 424 2HG2 ILE 56 HG22 ILE 56 21.582 5.556 -9.117 425 3HG2 ILE 56 HG23 ILE 56 22.792 5.219 -10.376 426 1HD1 ILE 56 HD11 ILE 56 20.029 5.005 -12.733 427 2HD1 ILE 56 HD12 ILE 56 21.793 5.154 -12.946 428 3HD1 ILE 56 HD13 ILE 56 20.887 3.977 -13.906 429 H TYR 57 H TYR 57 20.267 0.660 -9.945 430 HA TYR 57 HA TYR 57 18.063 1.095 -8.194 431 1HB TYR 57 HB2 TYR 57 17.844 -0.562 -9.931 432 2HB TYR 57 HB3 TYR 57 19.155 -1.527 -9.248 433 HD1 TYR 57 HD1 TYR 57 18.424 -3.448 -8.103 434 HD2 TYR 57 HD2 TYR 57 16.018 0.127 -7.872 435 HE1 TYR 57 HE1 TYR 57 16.883 -4.586 -6.539 436 HE2 TYR 57 HE2 TYR 57 14.495 -0.983 -6.290 437 HH TYR 57 HH TYR 57 14.028 -2.964 -5.075 438 H ASP 58 H ASP 58 21.113 -0.831 -7.632 439 HA ASP 58 HA ASP 58 20.398 -1.656 -5.023 440 1HB ASP 58 HB2 ASP 58 22.193 -2.717 -6.278 441 2HB ASP 58 HB3 ASP 58 23.136 -1.222 -6.268 442 H LYS 59 H LYS 59 22.363 1.181 -6.087 443 HA LYS 59 HA LYS 59 22.957 2.162 -3.489 444 1HB LYS 59 HB2 LYS 59 24.159 2.855 -5.428 445 2HB LYS 59 HB3 LYS 59 22.720 3.526 -6.197 446 1HG LYS 59 HG2 LYS 59 22.729 5.448 -4.949 447 2HG LYS 59 HG3 LYS 59 23.435 4.672 -3.512 448 1HD LYS 59 HD2 LYS 59 25.620 4.592 -4.491 449 2HD LYS 59 HD3 LYS 59 25.010 5.125 -6.065 450 1HE LYS 59 HE2 LYS 59 24.302 7.298 -5.015 451 2HE LYS 59 HE3 LYS 59 25.022 6.766 -3.489 452 1HZ LYS 59 HZ1 LYS 59 26.533 8.170 -4.743 453 2HZ LYS 59 HZ2 LYS 59 27.172 6.677 -4.619 454 3HZ LYS 59 HZ3 LYS 59 26.496 7.166 -6.030 455 H VAL 60 H VAL 60 20.253 3.011 -5.722 456 HA VAL 60 HA VAL 60 19.258 5.008 -3.919 457 HB VAL 60 HB VAL 60 18.008 3.760 -6.376 458 1HG1 VAL 60 HG11 VAL 60 16.551 5.742 -6.369 459 2HG1 VAL 60 HG12 VAL 60 16.348 4.870 -4.839 460 3HG1 VAL 60 HG13 VAL 60 17.320 6.334 -4.869 461 1HG2 VAL 60 HG21 VAL 60 19.386 6.473 -6.127 462 2HG2 VAL 60 HG22 VAL 60 20.283 5.040 -6.616 463 3HG2 VAL 60 HG23 VAL 60 18.940 5.557 -7.603 464 H SER 61 H SER 61 18.186 1.592 -4.655 465 HA SER 61 HA SER 61 15.995 1.751 -2.819 466 1HB SER 61 HB2 SER 61 16.007 -0.702 -2.845 467 2HB SER 61 HB3 SER 61 16.058 -0.006 -4.471 468 HG SER 61 HG SER 61 18.177 -0.502 -4.645 469 H GLY 62 H GLY 62 19.489 1.152 -2.333 470 1HA GLY 62 HA2 GLY 62 19.417 0.356 0.379 471 2HA GLY 62 HA3 GLY 62 20.725 1.244 -0.429 472 H ASP 63 H ASP 63 19.721 3.711 -1.031 473 HA ASP 63 HA ASP 63 19.596 4.997 1.507 474 1HB ASP 63 HB2 ASP 63 20.430 6.147 -0.505 475 2HB ASP 63 HB3 ASP 63 18.808 6.121 -1.211 476 H MET 64 H MET 64 16.956 4.365 -0.924 477 HA MET 64 HA MET 64 14.879 5.511 0.607 478 1HB MET 64 HB2 MET 64 14.804 3.041 -1.177 479 2HB MET 64 HB3 MET 64 13.403 3.949 -0.631 480 1HG MET 64 HG2 MET 64 15.510 5.149 -2.429 481 2HG MET 64 HG3 MET 64 13.983 4.451 -2.945 482 1HE MET 64 HE1 MET 64 15.564 7.216 -0.602 483 2HE MET 64 HE2 MET 64 15.779 7.567 -2.337 484 3HE MET 64 HE3 MET 64 14.750 8.614 -1.334 485 H GLN 65 H GLN 65 16.160 2.102 0.832 486 HA GLN 65 HA GLN 65 14.309 1.373 2.876 487 1HB GLN 65 HB2 GLN 65 16.966 0.309 1.878 488 2HB GLN 65 HB3 GLN 65 16.189 -0.425 3.281 489 1HG GLN 65 HG2 GLN 65 14.242 -1.049 2.021 490 2HG GLN 65 HG3 GLN 65 14.777 -0.139 0.602 491 1HE2 GLN 65 HE22 GLN 65 16.969 -0.832 -0.290 492 2HE2 GLN 65 HE21 GLN 65 17.308 -2.559 -0.349 493 H LYS 66 H LYS 66 17.543 2.948 3.025 494 HA LYS 66 HA LYS 66 17.806 2.831 5.866 495 1HB LYS 66 HB2 LYS 66 19.645 3.303 4.398 496 2HB LYS 66 HB3 LYS 66 18.840 4.708 3.718 497 1HG LYS 66 HG2 LYS 66 19.056 5.943 5.801 498 2HG LYS 66 HG3 LYS 66 19.737 4.511 6.602 499 1HD LYS 66 HD2 LYS 66 21.573 5.981 5.964 500 2HD LYS 66 HD3 LYS 66 21.611 4.499 4.997 501 1HE LYS 66 HE2 LYS 66 22.162 6.370 3.582 502 2HE LYS 66 HE3 LYS 66 20.640 5.653 3.078 503 1HZ LYS 66 HZ1 LYS 66 20.358 7.939 3.010 504 2HZ LYS 66 HZ2 LYS 66 19.541 7.506 4.355 505 3HZ LYS 66 HZ3 LYS 66 21.018 8.211 4.499 506 H GLN 67 H GLN 67 16.105 5.201 3.696 507 HA GLN 67 HA GLN 67 15.095 6.778 5.913 508 1HB GLN 67 HB2 GLN 67 13.876 6.410 3.138 509 2HB GLN 67 HB3 GLN 67 13.467 7.643 4.330 510 1HG GLN 67 HG2 GLN 67 15.908 8.420 4.209 511 2HG GLN 67 HG3 GLN 67 16.104 7.313 2.850 512 1HE2 GLN 67 HE22 GLN 67 16.419 8.714 1.096 513 2HE2 GLN 67 HE21 GLN 67 15.279 9.986 0.703 514 H GLY 68 H GLY 68 14.009 3.808 4.354 515 1HA GLY 68 HA2 GLY 68 13.183 2.268 6.212 516 2HA GLY 68 HA3 GLY 68 11.883 3.439 6.421 517 H CYS 69 H CYS 69 12.437 3.550 3.190 518 HA CYS 69 HA CYS 69 9.845 2.549 2.598 519 1HB CYS 69 HB2 CYS 69 12.172 3.297 0.824 520 2HB CYS 69 HB3 CYS 69 10.494 3.199 0.289 521 HG CYS 69 HG CYS 69 11.191 5.710 0.487 522 H ASP 70 H ASP 70 9.552 1.147 0.558 523 HA ASP 70 HA ASP 70 11.492 -1.076 0.287 524 1HB ASP 70 HB2 ASP 70 9.627 -2.002 1.598 525 2HB ASP 70 HB3 ASP 70 8.459 -1.345 0.444 526 H CYS 71 H CYS 71 11.859 -1.460 -1.948 527 HA CYS 71 HA CYS 71 10.349 0.242 -3.846 528 1HB CYS 71 HB2 CYS 71 13.386 0.296 -3.493 529 2HB CYS 71 HB3 CYS 71 12.435 1.230 -4.658 530 HG CYS 71 HG CYS 71 12.290 1.335 -1.369 531 H GLU 72 H GLU 72 11.011 -0.115 -6.135 532 HA GLU 72 HA GLU 72 12.457 -2.593 -6.768 533 1HB GLU 72 HB2 GLU 72 10.219 -3.429 -6.301 534 2HB GLU 72 HB3 GLU 72 9.476 -2.156 -7.283 535 1HG GLU 72 HG2 GLU 72 10.416 -3.056 -9.308 536 2HG GLU 72 HG3 GLU 72 11.427 -4.195 -8.409 537 H CYS 73 H CYS 73 13.578 -2.196 -8.658 538 HA CYS 73 HA CYS 73 13.258 0.230 -10.203 539 1HB CYS 73 HB2 CYS 73 14.782 -1.083 -11.798 540 2HB CYS 73 HB3 CYS 73 15.433 -0.641 -10.221 541 HG CYS 73 HG CYS 73 13.970 -3.480 -11.056 542 H LEU 74 H LEU 74 11.388 0.478 -11.417 543 HA LEU 74 HA LEU 74 9.727 -1.765 -12.241 544 1HB LEU 74 HB2 LEU 74 9.747 1.169 -13.084 545 2HB LEU 74 HB3 LEU 74 8.527 -0.009 -13.550 546 HG LEU 74 HG LEU 74 9.074 1.001 -10.732 547 1HD1 LEU 74 HD11 LEU 74 6.839 1.978 -10.940 548 2HD1 LEU 74 HD12 LEU 74 7.879 2.549 -12.258 549 3HD1 LEU 74 HD13 LEU 74 6.658 1.301 -12.571 550 1HD2 LEU 74 HD21 LEU 74 7.090 -1.114 -11.685 551 2HD2 LEU 74 HD22 LEU 74 8.400 -1.321 -10.495 552 3HD2 LEU 74 HD23 LEU 74 7.009 -0.311 -10.105 553 H GLY 75 H GLY 75 12.385 0.082 -13.625 554 1HA GLY 75 HA2 GLY 75 13.216 -1.806 -15.464 555 2HA GLY 75 HA3 GLY 75 12.140 -0.714 -16.354 556 H GLY 76 H GLY 76 14.318 -0.219 -17.441 557 1HA GLY 76 HA2 GLY 76 15.075 2.388 -16.450 558 2HA GLY 76 HA3 GLY 76 16.433 1.250 -16.415 559 H GLY 77 H GLY 77 17.225 2.915 -18.012 560 1HA GLY 77 HA2 GLY 77 17.081 2.037 -20.722 561 2HA GLY 77 HA3 GLY 77 16.048 3.457 -20.485 562 H ARG 78 H ARG 78 17.616 4.555 -21.926 563 HA ARG 78 HA ARG 78 20.053 5.435 -20.470 564 1HB ARG 78 HB2 ARG 78 20.452 3.618 -22.188 565 2HB ARG 78 HB3 ARG 78 19.900 4.751 -23.433 566 1HG ARG 78 HG2 ARG 78 21.789 6.245 -22.921 567 2HG ARG 78 HG3 ARG 78 22.229 5.245 -21.524 568 1HD ARG 78 HD2 ARG 78 23.735 4.765 -23.360 569 2HD ARG 78 HD3 ARG 78 22.774 3.355 -22.960 570 HE ARG 78 HE ARG 78 22.381 5.169 -25.313 571 1HH1 ARG 78 HH21 ARG 78 21.930 1.916 -23.893 572 2HH1 ARG 78 HH22 ARG 78 21.269 1.247 -25.357 573 1HH2 ARG 78 HH11 ARG 78 21.500 4.252 -27.192 574 2HH2 ARG 78 HH12 ARG 78 21.101 2.548 -27.242 575 H ILE 79 H ILE 79 20.800 7.541 -21.106 576 HA ILE 79 HA ILE 79 18.654 9.289 -22.145 577 HB ILE 79 HB ILE 79 20.309 9.573 -19.598 578 1HG1 ILE 79 HG12 ILE 79 17.348 9.210 -20.176 579 2HG1 ILE 79 HG13 ILE 79 18.404 8.138 -19.273 580 1HG2 ILE 79 HG21 ILE 79 20.172 11.787 -20.751 581 2HG2 ILE 79 HG22 ILE 79 18.406 11.614 -20.856 582 3HG2 ILE 79 HG23 ILE 79 19.225 11.789 -19.285 583 1HD1 ILE 79 HD11 ILE 79 16.962 9.259 -17.718 584 2HD1 ILE 79 HD12 ILE 79 18.600 9.910 -17.489 585 3HD1 ILE 79 HD13 ILE 79 17.362 10.850 -18.365 586 H SER 80 H SER 80 19.386 10.946 -23.385 587 HA SER 80 HA SER 80 22.317 11.085 -23.953 588 1HB SER 80 HB2 SER 80 20.003 11.266 -25.922 589 2HB SER 80 HB3 SER 80 21.732 11.356 -26.307 590 HG SER 80 HG SER 80 20.840 9.265 -26.660 591 H HIS 81 H HIS 81 23.142 13.073 -24.064 592 HA HIS 81 HA HIS 81 21.396 15.479 -24.120 593 1HB HIS 81 HB2 HIS 81 22.204 14.853 -21.767 594 2HB HIS 81 HB3 HIS 81 23.840 15.063 -22.356 595 HD1 HIS 81 HD1 HIS 81 20.868 17.564 -22.978 596 HD2 HIS 81 HD2 HIS 81 24.635 17.209 -21.106 597 HE1 HIS 81 HE1 HIS 81 21.462 19.864 -22.100 598 H GLN 82 H GLN 82 23.681 13.774 -25.812 599 HA GLN 82 HA GLN 82 25.791 15.547 -26.147 600 1HB GLN 82 HB2 GLN 82 25.747 13.145 -26.787 601 2HB GLN 82 HB3 GLN 82 24.679 13.525 -28.138 602 1HG GLN 82 HG2 GLN 82 26.993 13.171 -28.866 603 2HG GLN 82 HG3 GLN 82 26.461 14.799 -29.240 604 1HE2 GLN 82 HE22 GLN 82 27.343 16.596 -27.979 605 2HE2 GLN 82 HE21 GLN 82 28.852 16.403 -27.098 606 H SER 83 H SER 83 22.599 15.858 -27.542 607 HA SER 83 HA SER 83 23.052 17.668 -29.630 608 1HB SER 83 HB2 SER 83 20.877 17.709 -27.508 609 2HB SER 83 HB3 SER 83 20.757 18.341 -29.167 610 HG SER 83 HG SER 83 19.798 16.271 -28.976 611 H GLN 84 H GLN 84 23.269 18.124 -26.121 612 HA GLN 84 HA GLN 84 23.523 19.867 -24.752 613 1HB GLN 84 HB2 GLN 84 25.672 20.443 -26.817 614 2HB GLN 84 HB3 GLN 84 25.615 21.129 -25.183 615 1HG GLN 84 HG2 GLN 84 25.652 18.834 -24.217 616 2HG GLN 84 HG3 GLN 84 25.814 18.150 -25.830 617 1HE2 GLN 84 HE22 GLN 84 27.685 17.841 -23.589 618 2HE2 GLN 84 HE21 GLN 84 29.203 18.522 -24.138 619 H ASP 85 H ASP 85 21.288 20.357 -25.935 620 HA ASP 85 HA ASP 85 21.245 23.248 -26.640 621 1HB ASP 85 HB2 ASP 85 21.211 21.897 -28.697 622 2HB ASP 85 HB3 ASP 85 19.811 21.002 -28.102 623 H LYS 86 H LYS 86 20.862 22.531 -24.125 624 HA LYS 86 HA LYS 86 19.502 22.586 -22.340 625 1HB LYS 86 HB2 LYS 86 19.269 24.818 -23.408 626 2HB LYS 86 HB3 LYS 86 17.810 24.285 -24.218 627 1HG LYS 86 HG2 LYS 86 17.428 25.759 -22.264 628 2HG LYS 86 HG3 LYS 86 16.569 24.241 -22.178 629 1HD LYS 86 HD2 LYS 86 17.401 24.772 -20.008 630 2HD LYS 86 HD3 LYS 86 18.286 23.365 -20.592 631 1HE LYS 86 HE2 LYS 86 20.210 24.847 -21.201 632 2HE LYS 86 HE3 LYS 86 19.294 26.237 -20.597 633 1HZ LYS 86 HZ1 LYS 86 20.272 23.936 -18.983 634 2HZ LYS 86 HZ2 LYS 86 20.733 25.507 -18.868 635 3HZ LYS 86 HZ3 LYS 86 19.222 25.031 -18.421 636 H LYS 87 H LYS 87 19.084 20.227 -24.048 637 HA LYS 87 HA LYS 87 16.523 19.358 -22.925 638 1HB LYS 87 HB2 LYS 87 15.898 20.287 -25.077 639 2HB LYS 87 HB3 LYS 87 17.147 19.363 -25.910 640 1HG LYS 87 HG2 LYS 87 16.009 17.314 -25.645 641 2HG LYS 87 HG3 LYS 87 14.951 17.934 -24.369 642 1HD LYS 87 HD2 LYS 87 14.853 18.972 -27.233 643 2HD LYS 87 HD3 LYS 87 13.897 17.588 -26.666 644 1HE LYS 87 HE2 LYS 87 12.885 18.966 -24.888 645 2HE LYS 87 HE3 LYS 87 13.835 20.366 -25.395 646 1HZ LYS 87 HZ1 LYS 87 11.780 19.049 -27.070 647 2HZ LYS 87 HZ2 LYS 87 11.584 20.416 -26.182 648 3HZ LYS 87 HZ3 LYS 87 12.621 20.404 -27.461 649 H ILE 88 H ILE 88 16.321 17.035 -22.951 650 HA ILE 88 HA ILE 88 18.663 15.451 -23.794 651 HB ILE 88 HB ILE 88 18.313 13.957 -21.826 652 1HG1 ILE 88 HG12 ILE 88 16.870 16.232 -20.437 653 2HG1 ILE 88 HG13 ILE 88 15.989 14.985 -21.296 654 1HG2 ILE 88 HG21 ILE 88 19.162 16.757 -21.004 655 2HG2 ILE 88 HG22 ILE 88 19.680 15.204 -20.300 656 3HG2 ILE 88 HG23 ILE 88 20.130 15.613 -21.954 657 1HD1 ILE 88 HD11 ILE 88 17.942 14.387 -19.041 658 2HD1 ILE 88 HD12 ILE 88 16.182 14.515 -18.881 659 3HD1 ILE 88 HD13 ILE 88 16.882 13.233 -19.884 660 H HIS 89 H HIS 89 17.977 13.080 -23.904 661 HA HIS 89 HA HIS 89 15.098 12.748 -24.554 662 1HB HIS 89 HB2 HIS 89 16.555 13.149 -26.618 663 2HB HIS 89 HB3 HIS 89 17.369 11.630 -26.239 664 HD1 HIS 89 HD1 HIS 89 13.859 12.967 -27.151 665 HD2 HIS 89 HD2 HIS 89 16.134 9.420 -27.078 666 HE1 HIS 89 HE1 HIS 89 12.484 11.194 -28.389 667 H VAL 90 H VAL 90 14.367 10.589 -24.134 668 HA VAL 90 HA VAL 90 16.224 8.835 -22.593 669 HB VAL 90 HB VAL 90 13.267 9.331 -22.038 670 1HG1 VAL 90 HG11 VAL 90 13.725 8.184 -19.910 671 2HG1 VAL 90 HG12 VAL 90 14.129 7.146 -21.285 672 3HG1 VAL 90 HG13 VAL 90 15.422 7.948 -20.379 673 1HG2 VAL 90 HG21 VAL 90 14.010 10.582 -19.991 674 2HG2 VAL 90 HG22 VAL 90 15.664 10.592 -20.640 675 3HG2 VAL 90 HG23 VAL 90 14.355 11.413 -21.504 676 H TYR 91 H TYR 91 16.272 6.729 -23.364 677 HA TYR 91 HA TYR 91 14.100 5.606 -24.928 678 1HB TYR 91 HB2 TYR 91 15.074 5.552 -27.028 679 2HB TYR 91 HB3 TYR 91 15.252 7.204 -26.532 680 HD1 TYR 91 HD1 TYR 91 17.860 6.852 -24.795 681 HD2 TYR 91 HD2 TYR 91 16.693 5.461 -28.714 682 HE1 TYR 91 HE1 TYR 91 20.218 6.772 -25.456 683 HE2 TYR 91 HE2 TYR 91 19.064 5.406 -29.396 684 HH TYR 91 HH TYR 91 21.268 5.901 -28.784 685 H GLY 92 H GLY 92 15.155 3.469 -26.090 686 1HA GLY 92 HA2 GLY 92 16.343 1.503 -25.843 687 2HA GLY 92 HA3 GLY 92 17.375 2.285 -24.640 688 H TYR 93 H TYR 93 17.224 0.244 -23.477 689 HA TYR 93 HA TYR 93 15.037 0.179 -21.549 690 1HB TYR 93 HB2 TYR 93 14.755 -2.294 -21.895 691 2HB TYR 93 HB3 TYR 93 14.097 -1.304 -23.182 692 HD1 TYR 93 HD1 TYR 93 15.010 -1.366 -25.444 693 HD2 TYR 93 HD2 TYR 93 16.737 -3.743 -22.283 694 HE1 TYR 93 HE1 TYR 93 16.221 -2.711 -27.122 695 HE2 TYR 93 HE2 TYR 93 17.974 -5.078 -23.950 696 HH TYR 93 HH TYR 93 18.406 -5.425 -26.218 697 H SER 94 H SER 94 15.694 -1.069 -19.630 698 HA SER 94 HA SER 94 18.550 -1.098 -19.196 699 1HB SER 94 HB2 SER 94 17.199 -0.648 -17.305 700 2HB SER 94 HB3 SER 94 16.199 -2.092 -17.562 701 HG SER 94 HG SER 94 18.034 -2.097 -15.927 702 H MET 95 H MET 95 19.953 -2.719 -19.569 703 HA MET 95 HA MET 95 19.207 -5.163 -20.869 704 1HB MET 95 HB2 MET 95 21.437 -4.037 -20.985 705 2HB MET 95 HB3 MET 95 21.742 -4.497 -19.304 706 1HG MET 95 HG2 MET 95 21.596 -6.876 -19.915 707 2HG MET 95 HG3 MET 95 21.203 -6.452 -21.582 708 1HE MET 95 HE1 MET 95 24.568 -5.179 -23.040 709 2HE MET 95 HE2 MET 95 22.888 -5.653 -23.367 710 3HE MET 95 HE3 MET 95 23.234 -4.176 -22.438 711 H ALA 96 H ALA 96 19.252 -4.172 -17.477 712 HA ALA 96 HA ALA 96 19.274 -6.977 -16.519 713 1HB ALA 96 HB1 ALA 96 19.370 -4.322 -15.021 714 2HB ALA 96 HB2 ALA 96 19.551 -5.936 -14.310 715 3HB ALA 96 HB3 ALA 96 20.773 -5.334 -15.446 716 H TYR 97 H TYR 97 17.096 -4.170 -16.788 717 HA TYR 97 HA TYR 97 14.955 -5.723 -15.390 718 1HB TYR 97 HB2 TYR 97 15.427 -2.734 -15.258 719 2HB TYR 97 HB3 TYR 97 14.287 -3.675 -14.305 720 HD1 TYR 97 HD1 TYR 97 17.048 -1.822 -13.816 721 HD2 TYR 97 HD2 TYR 97 15.767 -5.902 -13.209 722 HE1 TYR 97 HE1 TYR 97 18.725 -2.083 -12.019 723 HE2 TYR 97 HE2 TYR 97 17.451 -6.174 -11.428 724 HH TYR 97 HH TYR 97 19.145 -5.172 -10.212 725 H GLY 98 H GLY 98 15.642 -4.542 -18.455 726 1HA GLY 98 HA2 GLY 98 14.246 -4.385 -20.270 727 2HA GLY 98 HA3 GLY 98 12.852 -4.696 -19.231 728 HA PRO 99 HA PRO 99 13.061 -0.211 -20.606 729 1HB PRO 99 HB2 PRO 99 10.568 -0.009 -21.771 730 2HB PRO 99 HB3 PRO 99 12.027 -0.552 -22.641 731 1HG PRO 99 HG2 PRO 99 9.851 -2.245 -21.398 732 2HG PRO 99 HG3 PRO 99 10.636 -2.442 -22.996 733 1HD PRO 99 HD2 PRO 99 11.359 -3.911 -20.805 734 2HD PRO 99 HD3 PRO 99 12.555 -3.406 -22.036 735 H ALA 100 H ALA 100 12.542 1.314 -19.173 736 HA ALA 100 HA ALA 100 10.589 0.913 -17.028 737 1HB ALA 100 HB1 ALA 100 12.609 2.254 -16.619 738 2HB ALA 100 HB2 ALA 100 12.253 3.254 -18.035 739 3HB ALA 100 HB3 ALA 100 11.224 3.341 -16.595 740 H GLN 101 H GLN 101 8.938 2.688 -16.693 741 HA GLN 101 HA GLN 101 7.346 3.269 -19.105 742 1HB GLN 101 HB2 GLN 101 6.983 3.846 -16.127 743 2HB GLN 101 HB3 GLN 101 5.919 4.505 -17.380 744 1HG GLN 101 HG2 GLN 101 5.281 2.297 -18.124 745 2HG GLN 101 HG3 GLN 101 6.408 1.531 -16.987 746 1HE2 GLN 101 HE22 GLN 101 3.437 3.577 -17.170 747 2HE2 GLN 101 HE21 GLN 101 2.833 3.125 -15.597 748 H HIS 102 H HIS 102 9.309 4.378 -20.037 749 HA HIS 102 HA HIS 102 10.566 6.584 -18.927 750 1HB HIS 102 HB2 HIS 102 9.962 6.028 -21.839 751 2HB HIS 102 HB3 HIS 102 11.200 7.150 -21.264 752 HD1 HIS 102 HD1 HIS 102 10.893 3.618 -22.325 753 HD2 HIS 102 HD2 HIS 102 13.023 5.791 -19.424 754 HE1 HIS 102 HE1 HIS 102 12.826 2.136 -21.566 755 H ALA 103 H ALA 103 7.311 6.549 -20.202 756 HA ALA 103 HA ALA 103 6.879 9.292 -20.712 757 1HB ALA 103 HB1 ALA 103 5.056 7.200 -19.425 758 2HB ALA 103 HB2 ALA 103 4.531 8.772 -20.073 759 3HB ALA 103 HB3 ALA 103 5.209 7.550 -21.164 760 H ILE 104 H ILE 104 7.125 7.483 -17.626 761 HA ILE 104 HA ILE 104 6.288 9.599 -15.879 762 HB ILE 104 HB ILE 104 8.166 7.242 -15.383 763 1HG1 ILE 104 HG12 ILE 104 5.848 6.565 -16.130 764 2HG1 ILE 104 HG13 ILE 104 6.327 5.983 -14.547 765 1HG2 ILE 104 HG21 ILE 104 8.526 8.822 -13.625 766 2HG2 ILE 104 HG22 ILE 104 6.789 9.120 -13.428 767 3HG2 ILE 104 HG23 ILE 104 7.485 7.550 -12.974 768 1HD1 ILE 104 HD11 ILE 104 4.600 8.463 -14.936 769 2HD1 ILE 104 HD12 ILE 104 3.970 6.812 -14.678 770 3HD1 ILE 104 HD13 ILE 104 4.947 7.584 -13.420 771 H SER 105 H SER 105 9.513 8.562 -17.194 772 HA SER 105 HA SER 105 11.075 10.342 -15.741 773 1HB SER 105 HB2 SER 105 11.524 9.463 -18.619 774 2HB SER 105 HB3 SER 105 12.727 9.972 -17.444 775 HG SER 105 HG SER 105 12.566 7.690 -17.520 776 H THR 106 H THR 106 9.591 10.859 -19.016 777 HA THR 106 HA THR 106 10.367 13.548 -19.246 778 HB THR 106 HB THR 106 8.044 13.629 -20.600 779 HG1 THR 106 HG1 THR 106 7.448 11.484 -19.846 780 1HG2 THR 106 HG21 THR 106 9.251 12.767 -22.552 781 2HG2 THR 106 HG22 THR 106 10.264 13.842 -21.605 782 3HG2 THR 106 HG23 THR 106 10.509 12.078 -21.496 783 H GLU 107 H GLU 107 7.350 12.277 -17.667 784 HA GLU 107 HA GLU 107 6.302 14.861 -17.148 785 1HB GLU 107 HB2 GLU 107 5.827 12.114 -15.885 786 2HB GLU 107 HB3 GLU 107 5.004 13.572 -15.318 787 1HG GLU 107 HG2 GLU 107 4.142 13.992 -17.610 788 2HG GLU 107 HG3 GLU 107 4.909 12.511 -18.173 789 H LYS 108 H LYS 108 8.259 12.691 -15.061 790 HA LYS 108 HA LYS 108 8.219 14.454 -12.795 791 1HB LYS 108 HB2 LYS 108 10.068 12.161 -13.582 792 2HB LYS 108 HB3 LYS 108 10.088 12.943 -12.005 793 1HG LYS 108 HG2 LYS 108 7.663 11.478 -13.113 794 2HG LYS 108 HG3 LYS 108 8.886 10.775 -12.048 795 1HD LYS 108 HD2 LYS 108 8.357 12.554 -10.354 796 2HD LYS 108 HD3 LYS 108 7.016 13.090 -11.391 797 1HE LYS 108 HE2 LYS 108 5.984 10.853 -11.241 798 2HE LYS 108 HE3 LYS 108 7.365 10.263 -10.296 799 1HZ LYS 108 HZ1 LYS 108 6.807 11.822 -8.561 800 2HZ LYS 108 HZ2 LYS 108 5.517 12.397 -9.404 801 3HZ LYS 108 HZ3 LYS 108 5.511 10.856 -8.865 802 H ILE 109 H ILE 109 10.702 13.925 -15.390 803 HA ILE 109 HA ILE 109 12.553 15.781 -14.220 804 HB ILE 109 HB ILE 109 12.264 14.598 -16.977 805 1HG1 ILE 109 HG12 ILE 109 14.543 14.232 -14.995 806 2HG1 ILE 109 HG13 ILE 109 13.087 13.232 -14.937 807 1HG2 ILE 109 HG21 ILE 109 14.463 15.540 -17.600 808 2HG2 ILE 109 HG22 ILE 109 13.315 16.831 -17.297 809 3HG2 ILE 109 HG23 ILE 109 14.526 16.422 -16.069 810 1HD1 ILE 109 HD11 ILE 109 14.815 12.054 -16.171 811 2HD1 ILE 109 HD12 ILE 109 13.514 12.485 -17.294 812 3HD1 ILE 109 HD13 ILE 109 15.032 13.404 -17.276 813 H LYS 110 H LYS 110 9.816 16.277 -16.611 814 HA LYS 110 HA LYS 110 10.504 19.068 -16.905 815 1HB LYS 110 HB2 LYS 110 7.904 17.555 -17.394 816 2HB LYS 110 HB3 LYS 110 8.078 19.301 -17.660 817 1HG LYS 110 HG2 LYS 110 9.965 18.921 -19.196 818 2HG LYS 110 HG3 LYS 110 9.807 17.177 -18.947 819 1HD LYS 110 HD2 LYS 110 7.594 17.168 -19.969 820 2HD LYS 110 HD3 LYS 110 7.664 18.937 -20.189 821 1HE LYS 110 HE2 LYS 110 9.672 18.709 -21.618 822 2HE LYS 110 HE3 LYS 110 9.703 16.971 -21.341 823 1HZ LYS 110 HZ1 LYS 110 8.716 17.444 -23.453 824 2HZ LYS 110 HZ2 LYS 110 7.550 16.826 -22.498 825 3HZ LYS 110 HZ3 LYS 110 7.580 18.430 -22.808 826 H ALA 111 H ALA 111 8.423 17.351 -14.520 827 HA ALA 111 HA ALA 111 7.413 19.705 -13.295 828 1HB ALA 111 HB1 ALA 111 7.997 16.992 -12.021 829 2HB ALA 111 HB2 ALA 111 6.950 18.263 -11.362 830 3HB ALA 111 HB3 ALA 111 6.503 17.447 -12.874 831 H LYS 112 H LYS 112 10.386 17.782 -12.546 832 HA LYS 112 HA LYS 112 11.268 19.518 -10.427 833 1HB LYS 112 HB2 LYS 112 11.962 17.116 -10.796 834 2HB LYS 112 HB3 LYS 112 12.857 17.626 -12.218 835 1HG LYS 112 HG2 LYS 112 14.513 17.500 -10.588 836 2HG LYS 112 HG3 LYS 112 14.158 19.219 -10.611 837 1HD LYS 112 HD2 LYS 112 12.572 18.824 -8.650 838 2HD LYS 112 HD3 LYS 112 13.161 17.164 -8.583 839 1HE LYS 112 HE2 LYS 112 14.800 19.712 -8.188 840 2HE LYS 112 HE3 LYS 112 14.258 18.610 -6.924 841 1HZ LYS 112 HZ1 LYS 112 15.661 16.869 -8.007 842 2HZ LYS 112 HZ2 LYS 112 16.261 18.013 -9.015 843 3HZ LYS 112 HZ3 LYS 112 16.511 18.134 -7.414 844 H TYR 113 H TYR 113 11.943 19.379 -13.906 845 HA TYR 113 HA TYR 113 13.204 20.457 -15.309 846 1HB TYR 113 HB2 TYR 113 11.406 22.199 -14.827 847 2HB TYR 113 HB3 TYR 113 12.649 23.095 -13.966 848 HD1 TYR 113 HD1 TYR 113 14.660 23.970 -15.251 849 HD2 TYR 113 HD2 TYR 113 11.447 21.872 -17.228 850 HE1 TYR 113 HE1 TYR 113 15.551 24.678 -17.449 851 HE2 TYR 113 HE2 TYR 113 12.316 22.598 -19.425 852 HH TYR 113 HH TYR 113 13.973 23.792 -20.553 853 HA PRO 114 HA PRO 114 16.498 20.213 -12.083 854 1HB PRO 114 HB2 PRO 114 18.104 18.292 -13.240 855 2HB PRO 114 HB3 PRO 114 16.627 17.914 -12.303 856 1HG PRO 114 HG2 PRO 114 16.907 18.122 -15.306 857 2HG PRO 114 HG3 PRO 114 16.111 16.838 -14.339 858 1HD PRO 114 HD2 PRO 114 14.691 18.860 -15.474 859 2HD PRO 114 HD3 PRO 114 14.261 18.209 -13.867 860 H ASP 115 H ASP 115 16.807 20.635 -15.560 861 HA ASP 115 HA ASP 115 18.376 22.992 -15.284 862 1HB ASP 115 HB2 ASP 115 20.291 21.413 -15.031 863 2HB ASP 115 HB3 ASP 115 19.835 20.615 -16.533 864 H TYR 116 H TYR 116 17.133 20.360 -17.313 865 HA TYR 116 HA TYR 116 16.704 22.189 -19.608 866 1HB TYR 116 HB2 TYR 116 17.421 19.987 -20.889 867 2HB TYR 116 HB3 TYR 116 18.625 21.096 -20.271 868 HD1 TYR 116 HD1 TYR 116 16.689 18.145 -18.855 869 HD2 TYR 116 HD2 TYR 116 20.518 20.052 -19.448 870 HE1 TYR 116 HE1 TYR 116 17.778 16.344 -17.579 871 HE2 TYR 116 HE2 TYR 116 21.626 18.209 -18.234 872 HH TYR 116 HH TYR 116 19.803 15.465 -16.802 873 H GLU 117 H GLU 117 15.347 21.162 -21.296 874 HA GLU 117 HA GLU 117 12.934 19.913 -20.162 875 1HB GLU 117 HB2 GLU 117 12.912 21.774 -21.865 876 2HB GLU 117 HB3 GLU 117 13.586 20.648 -23.051 877 1HG GLU 117 HG2 GLU 117 11.561 19.314 -22.999 878 2HG GLU 117 HG3 GLU 117 10.971 20.195 -21.576 879 H VAL 118 H VAL 118 12.107 17.977 -21.757 880 HA VAL 118 HA VAL 118 14.262 16.097 -22.348 881 HB VAL 118 HB VAL 118 14.031 15.868 -19.970 882 1HG1 VAL 118 HG11 VAL 118 11.841 15.182 -18.931 883 2HG1 VAL 118 HG12 VAL 118 11.960 16.855 -19.452 884 3HG1 VAL 118 HG13 VAL 118 11.045 15.667 -20.421 885 1HG2 VAL 118 HG21 VAL 118 12.493 13.511 -21.111 886 2HG2 VAL 118 HG22 VAL 118 14.234 13.722 -21.282 887 3HG2 VAL 118 HG23 VAL 118 13.521 13.555 -19.672 888 H THR 119 H THR 119 13.466 14.248 -23.509 889 HA THR 119 HA THR 119 10.641 14.177 -24.318 890 HB THR 119 HB THR 119 11.492 13.783 -26.719 891 HG1 THR 119 HG1 THR 119 13.766 15.070 -25.597 892 1HG2 THR 119 HG21 THR 119 11.469 16.142 -27.306 893 2HG2 THR 119 HG22 THR 119 10.232 15.777 -26.090 894 3HG2 THR 119 HG23 THR 119 11.726 16.610 -25.605 895 H TRP 120 H TRP 120 10.371 11.972 -25.634 896 HA TRP 120 HA TRP 120 12.444 10.044 -24.986 897 1HB TRP 120 HB2 TRP 120 11.169 8.503 -23.759 898 2HB TRP 120 HB3 TRP 120 10.928 10.033 -22.947 899 HD1 TRP 120 HD1 TRP 120 8.418 11.238 -23.849 900 HE1 TRP 120 HE1 TRP 120 6.144 10.097 -23.814 901 HE3 TRP 120 HE3 TRP 120 9.977 6.378 -24.159 902 HZ2 TRP 120 HZ2 TRP 120 5.111 7.382 -23.827 903 HZ3 TRP 120 HZ3 TRP 120 8.331 4.531 -24.056 904 HH2 TRP 120 HH2 TRP 120 5.898 5.018 -23.895 905 H ALA 121 H ALA 121 11.944 7.874 -25.899 906 HA ALA 121 HA ALA 121 9.833 7.764 -27.925 907 1HB ALA 121 HB1 ALA 121 11.791 8.526 -29.247 908 2HB ALA 121 HB2 ALA 121 12.775 7.205 -28.571 909 3HB ALA 121 HB3 ALA 121 11.400 6.839 -29.632 910 H ASN 122 H ASN 122 9.105 5.655 -28.151 911 HA ASN 122 HA ASN 122 9.877 3.820 -25.989 912 1HB ASN 122 HB2 ASN 122 7.492 4.461 -26.441 913 2HB ASN 122 HB3 ASN 122 7.608 3.669 -28.012 914 1HD2 ASN 122 HD22 ASN 122 6.019 2.037 -27.525 915 2HD2 ASN 122 HD21 ASN 122 6.310 0.786 -26.346 916 H ASP 123 H ASP 123 11.984 3.940 -27.660 917 HA ASP 123 HA ASP 123 12.084 1.405 -29.118 918 1HB ASP 123 HB2 ASP 123 11.069 3.260 -30.664 919 2HB ASP 123 HB3 ASP 123 12.691 3.966 -30.615 920 H GLY 124 H GLY 124 14.371 1.551 -30.335 921 1HA GLY 124 HA2 GLY 124 16.670 2.053 -30.275 922 2HA GLY 124 HA3 GLY 124 16.468 2.932 -28.757 923 H TYR 125 H TYR 125 18.555 1.344 -28.789 924 HA TYR 125 HA TYR 125 18.025 -0.611 -26.738 925 1HB TYR 125 HB2 TYR 125 19.304 -2.395 -27.798 926 2HB TYR 125 HB3 TYR 125 17.839 -2.071 -28.702 927 HD1 TYR 125 HD1 TYR 125 21.518 -1.999 -28.768 928 HD2 TYR 125 HD2 TYR 125 17.929 -1.020 -30.954 929 HE1 TYR 125 HE1 TYR 125 22.849 -1.782 -30.846 930 HE2 TYR 125 HE2 TYR 125 19.247 -0.795 -33.035 931 HH TYR 125 HH TYR 125 21.363 -0.916 -34.007 Start of MODEL 21 1 1H MET 1 H1 MET 1 8.796 13.017 18.794 2 2H MET 1 H2 MET 1 9.416 14.078 17.711 3 3H MET 1 H3 MET 1 7.801 14.002 17.932 4 HA MET 1 HA MET 1 9.484 11.877 16.794 5 1HB MET 1 HB2 MET 1 6.467 11.976 17.245 6 2HB MET 1 HB3 MET 1 7.251 10.847 16.146 7 1HG MET 1 HG2 MET 1 7.711 11.029 19.143 8 2HG MET 1 HG3 MET 1 6.798 9.793 18.298 9 1HE MET 1 HE1 MET 1 9.507 7.615 16.551 10 2HE MET 1 HE2 MET 1 7.788 7.808 16.954 11 3HE MET 1 HE3 MET 1 8.564 8.916 15.798 12 H ALA 2 H ALA 2 9.660 11.822 14.569 13 HA ALA 2 HA ALA 2 7.952 13.427 12.851 14 1HB ALA 2 HB1 ALA 2 9.862 14.606 11.779 15 2HB ALA 2 HB2 ALA 2 9.688 15.101 13.472 16 3HB ALA 2 HB3 ALA 2 10.966 13.953 13.008 17 H VAL 3 H VAL 3 8.444 12.852 10.544 18 HA VAL 3 HA VAL 3 10.133 10.558 10.019 19 HB VAL 3 HB VAL 3 8.186 9.490 11.041 20 1HG1 VAL 3 HG11 VAL 3 6.454 10.772 8.891 21 2HG1 VAL 3 HG12 VAL 3 5.940 9.543 10.063 22 3HG1 VAL 3 HG13 VAL 3 6.415 11.148 10.628 23 1HG2 VAL 3 HG21 VAL 3 7.991 8.955 8.076 24 2HG2 VAL 3 HG22 VAL 3 9.339 8.395 9.089 25 3HG2 VAL 3 HG23 VAL 3 7.685 7.851 9.419 26 H ALA 4 H ALA 4 10.457 10.306 7.731 27 HA ALA 4 HA ALA 4 9.966 12.678 6.121 28 1HB ALA 4 HB1 ALA 4 11.053 9.951 5.286 29 2HB ALA 4 HB2 ALA 4 11.155 11.460 4.370 30 3HB ALA 4 HB3 ALA 4 12.037 11.295 5.897 31 H ASP 5 H ASP 5 9.096 12.064 3.716 32 HA ASP 5 HA ASP 5 6.697 10.372 3.805 33 1HB ASP 5 HB2 ASP 5 5.876 12.513 4.723 34 2HB ASP 5 HB3 ASP 5 6.599 13.391 3.374 35 H LEU 6 H LEU 6 5.906 10.004 1.635 36 HA LEU 6 HA LEU 6 7.867 9.609 -0.305 37 1HB LEU 6 HB2 LEU 6 4.841 9.897 -0.526 38 2HB LEU 6 HB3 LEU 6 5.877 9.397 -1.842 39 HG LEU 6 HG LEU 6 5.484 7.837 0.721 40 1HD1 LEU 6 HD11 LEU 6 4.424 6.236 -1.008 41 2HD1 LEU 6 HD12 LEU 6 3.507 7.690 -0.569 42 3HD1 LEU 6 HD13 LEU 6 4.359 7.612 -2.106 43 1HD2 LEU 6 HD21 LEU 6 7.730 7.390 -0.101 44 2HD2 LEU 6 HD22 LEU 6 6.700 6.017 -0.473 45 3HD2 LEU 6 HD23 LEU 6 7.127 7.151 -1.760 46 H ALA 7 H ALA 7 5.870 12.541 0.180 47 HA ALA 7 HA ALA 7 6.530 13.655 -2.379 48 1HB ALA 7 HB1 ALA 7 5.485 15.690 -1.485 49 2HB ALA 7 HB2 ALA 7 4.483 14.271 -1.131 50 3HB ALA 7 HB3 ALA 7 5.488 14.998 0.148 51 H LEU 8 H LEU 8 8.173 13.495 0.711 52 HA LEU 8 HA LEU 8 9.865 15.862 0.213 53 1HB LEU 8 HB2 LEU 8 9.900 13.790 2.447 54 2HB LEU 8 HB3 LEU 8 10.916 15.221 2.371 55 HG LEU 8 HG LEU 8 7.872 15.259 2.570 56 1HD1 LEU 8 HD11 LEU 8 10.008 15.840 4.665 57 2HD1 LEU 8 HD12 LEU 8 8.252 16.035 4.877 58 3HD1 LEU 8 HD13 LEU 8 8.932 14.425 4.623 59 1HD2 LEU 8 HD21 LEU 8 8.660 17.279 1.433 60 2HD2 LEU 8 HD22 LEU 8 8.175 17.679 3.079 61 3HD2 LEU 8 HD23 LEU 8 9.901 17.535 2.682 62 H ILE 9 H ILE 9 9.913 12.403 -0.334 63 HA ILE 9 HA ILE 9 12.693 11.953 -0.577 64 HB ILE 9 HB ILE 9 10.321 10.759 -2.057 65 1HG1 ILE 9 HG12 ILE 9 11.986 9.809 0.324 66 2HG1 ILE 9 HG13 ILE 9 10.335 10.427 0.396 67 1HG2 ILE 9 HG21 ILE 9 12.363 10.417 -3.410 68 2HG2 ILE 9 HG22 ILE 9 13.191 9.756 -1.984 69 3HG2 ILE 9 HG23 ILE 9 11.811 8.906 -2.713 70 1HD1 ILE 9 HD11 ILE 9 10.115 8.107 0.563 71 2HD1 ILE 9 HD12 ILE 9 9.669 8.476 -1.121 72 3HD1 ILE 9 HD13 ILE 9 11.274 7.803 -0.736 73 HA PRO 10 HA PRO 10 13.508 14.765 -4.073 74 1HB PRO 10 HB2 PRO 10 15.808 12.883 -4.576 75 2HB PRO 10 HB3 PRO 10 15.794 14.667 -4.516 76 1HG PRO 10 HG2 PRO 10 16.727 13.204 -2.417 77 2HG PRO 10 HG3 PRO 10 15.738 14.674 -2.144 78 1HD PRO 10 HD2 PRO 10 14.863 11.781 -2.042 79 2HD PRO 10 HD3 PRO 10 14.455 13.138 -0.948 80 H ASP 11 H ASP 11 12.092 14.537 -5.717 81 HA ASP 11 HA ASP 11 11.190 12.005 -6.579 82 1HB ASP 11 HB2 ASP 11 9.991 14.299 -6.475 83 2HB ASP 11 HB3 ASP 11 10.688 14.596 -8.071 84 H VAL 12 H VAL 12 13.584 14.186 -7.924 85 HA VAL 12 HA VAL 12 14.393 12.210 -9.938 86 HB VAL 12 HB VAL 12 13.880 15.159 -10.548 87 1HG1 VAL 12 HG11 VAL 12 14.509 14.634 -12.862 88 2HG1 VAL 12 HG12 VAL 12 15.853 14.350 -11.770 89 3HG1 VAL 12 HG13 VAL 12 14.927 12.969 -12.393 90 1HG2 VAL 12 HG21 VAL 12 12.256 14.350 -12.236 91 2HG2 VAL 12 HG22 VAL 12 12.434 12.699 -11.606 92 3HG2 VAL 12 HG23 VAL 12 11.746 13.981 -10.592 93 H ASP 13 H ASP 13 16.642 12.181 -10.024 94 HA ASP 13 HA ASP 13 18.181 14.562 -9.450 95 1HB ASP 13 HB2 ASP 13 17.902 13.630 -7.143 96 2HB ASP 13 HB3 ASP 13 18.663 12.137 -7.672 97 H ILE 14 H ILE 14 19.409 14.507 -11.274 98 HA ILE 14 HA ILE 14 20.542 11.967 -12.219 99 HB ILE 14 HB ILE 14 19.832 12.442 -14.530 100 1HG1 ILE 14 HG12 ILE 14 17.860 14.488 -13.411 101 2HG1 ILE 14 HG13 ILE 14 19.363 14.911 -14.237 102 1HG2 ILE 14 HG21 ILE 14 17.605 11.511 -14.363 103 2HG2 ILE 14 HG22 ILE 14 18.587 10.850 -13.061 104 3HG2 ILE 14 HG23 ILE 14 17.410 12.125 -12.707 105 1HD1 ILE 14 HD11 ILE 14 17.544 15.066 -15.805 106 2HD1 ILE 14 HD12 ILE 14 18.573 13.697 -16.270 107 3HD1 ILE 14 HD13 ILE 14 17.014 13.416 -15.456 108 H ASP 15 H ASP 15 22.307 12.307 -13.736 109 HA ASP 15 HA ASP 15 23.995 14.542 -13.100 110 1HB ASP 15 HB2 ASP 15 24.922 12.432 -13.864 111 2HB ASP 15 HB3 ASP 15 24.108 12.584 -15.421 112 H SER 16 H SER 16 24.399 16.469 -14.184 113 HA SER 16 HA SER 16 22.153 17.664 -15.322 114 1HB SER 16 HB2 SER 16 25.007 18.706 -15.389 115 2HB SER 16 HB3 SER 16 23.507 19.649 -15.338 116 HG SER 16 HG SER 16 24.515 19.495 -13.281 117 H ASP 17 H ASP 17 24.924 16.146 -17.043 118 HA ASP 17 HA ASP 17 23.816 16.706 -19.658 119 1HB ASP 17 HB2 ASP 17 24.572 18.972 -19.351 120 2HB ASP 17 HB3 ASP 17 26.092 18.443 -18.632 121 H GLY 18 H GLY 18 24.399 14.804 -20.654 122 1HA GLY 18 HA2 GLY 18 26.955 14.135 -21.415 123 2HA GLY 18 HA3 GLY 18 26.721 13.284 -19.879 124 H VAL 19 H VAL 19 26.885 11.314 -21.042 125 HA VAL 19 HA VAL 19 24.264 10.376 -22.004 126 HB VAL 19 HB VAL 19 26.968 9.615 -23.196 127 1HG1 VAL 19 HG11 VAL 19 25.603 7.608 -23.010 128 2HG1 VAL 19 HG12 VAL 19 24.192 8.448 -23.676 129 3HG1 VAL 19 HG13 VAL 19 25.611 8.127 -24.698 130 1HG2 VAL 19 HG21 VAL 19 24.547 10.964 -24.462 131 2HG2 VAL 19 HG22 VAL 19 26.125 11.715 -24.152 132 3HG2 VAL 19 HG23 VAL 19 25.991 10.412 -25.334 133 H PHE 20 H PHE 20 23.606 8.848 -20.536 134 HA PHE 20 HA PHE 20 25.482 7.158 -19.062 135 1HB PHE 20 HB2 PHE 20 24.714 8.118 -16.857 136 2HB PHE 20 HB3 PHE 20 25.818 9.132 -17.762 137 HD1 PHE 20 HD1 PHE 20 22.341 8.809 -16.535 138 HD2 PHE 20 HD2 PHE 20 25.134 11.297 -18.670 139 HE1 PHE 20 HE1 PHE 20 20.796 10.731 -16.311 140 HE2 PHE 20 HE2 PHE 20 23.567 13.211 -18.478 141 HZ PHE 20 HZ PHE 20 21.399 12.933 -17.298 142 H LYS 21 H LYS 21 24.242 5.785 -17.440 143 HA LYS 21 HA LYS 21 21.730 4.957 -18.744 144 1HB LYS 21 HB2 LYS 21 23.061 3.789 -16.239 145 2HB LYS 21 HB3 LYS 21 21.805 3.048 -17.203 146 1HG LYS 21 HG2 LYS 21 24.730 3.376 -17.890 147 2HG LYS 21 HG3 LYS 21 23.801 1.891 -17.660 148 1HD LYS 21 HD2 LYS 21 22.435 2.607 -19.729 149 2HD LYS 21 HD3 LYS 21 23.693 3.813 -20.018 150 1HE LYS 21 HE2 LYS 21 23.981 0.781 -19.941 151 2HE LYS 21 HE3 LYS 21 24.128 1.839 -21.347 152 1HZ LYS 21 HZ1 LYS 21 26.017 1.658 -19.071 153 2HZ LYS 21 HZ2 LYS 21 26.292 1.211 -20.607 154 3HZ LYS 21 HZ3 LYS 21 26.134 2.798 -20.259 155 H TYR 22 H TYR 22 19.764 4.587 -17.394 156 HA TYR 22 HA TYR 22 19.723 5.943 -14.807 157 1HB TYR 22 HB2 TYR 22 18.396 7.669 -15.307 158 2HB TYR 22 HB3 TYR 22 18.953 7.455 -16.947 159 HD1 TYR 22 HD1 TYR 22 17.524 5.940 -18.487 160 HD2 TYR 22 HD2 TYR 22 16.164 7.410 -14.667 161 HE1 TYR 22 HE1 TYR 22 15.252 5.129 -18.988 162 HE2 TYR 22 HE2 TYR 22 13.888 6.571 -15.148 163 HH TYR 22 HH TYR 22 13.160 4.723 -18.110 164 H VAL 23 H VAL 23 17.510 5.484 -13.741 165 HA VAL 23 HA VAL 23 16.208 3.030 -14.667 166 HB VAL 23 HB VAL 23 18.198 2.401 -13.246 167 1HG1 VAL 23 HG11 VAL 23 18.090 2.676 -10.817 168 2HG1 VAL 23 HG12 VAL 23 18.132 4.260 -11.621 169 3HG1 VAL 23 HG13 VAL 23 16.616 3.647 -10.963 170 1HG2 VAL 23 HG21 VAL 23 16.333 0.864 -13.536 171 2HG2 VAL 23 HG22 VAL 23 17.061 0.716 -11.936 172 3HG2 VAL 23 HG23 VAL 23 15.508 1.558 -12.123 173 H LEU 24 H LEU 24 14.146 2.703 -13.585 174 HA LEU 24 HA LEU 24 12.946 5.198 -12.468 175 1HB LEU 24 HB2 LEU 24 12.499 4.531 -14.931 176 2HB LEU 24 HB3 LEU 24 11.675 3.125 -14.318 177 HG LEU 24 HG LEU 24 10.121 4.878 -15.047 178 1HD1 LEU 24 HD11 LEU 24 9.976 4.623 -12.030 179 2HD1 LEU 24 HD12 LEU 24 8.670 5.016 -13.174 180 3HD1 LEU 24 HD13 LEU 24 9.415 3.415 -13.220 181 1HD2 LEU 24 HD21 LEU 24 9.953 7.026 -14.073 182 2HD2 LEU 24 HD22 LEU 24 11.219 6.672 -12.868 183 3HD2 LEU 24 HD23 LEU 24 11.614 6.797 -14.603 184 H ILE 25 H ILE 25 12.487 4.700 -10.296 185 HA ILE 25 HA ILE 25 11.807 1.862 -9.728 186 HB ILE 25 HB ILE 25 13.349 1.532 -8.299 187 1HG1 ILE 25 HG12 ILE 25 13.338 4.293 -7.074 188 2HG1 ILE 25 HG13 ILE 25 12.285 2.977 -6.561 189 1HG2 ILE 25 HG21 ILE 25 15.513 2.594 -8.516 190 2HG2 ILE 25 HG22 ILE 25 14.724 2.578 -10.089 191 3HG2 ILE 25 HG23 ILE 25 14.767 4.081 -9.120 192 1HD1 ILE 25 HD11 ILE 25 14.260 1.576 -6.040 193 2HD1 ILE 25 HD12 ILE 25 15.305 2.984 -6.363 194 3HD1 ILE 25 HD13 ILE 25 14.120 3.048 -5.054 195 H ARG 26 H ARG 26 10.206 1.385 -8.428 196 HA ARG 26 HA ARG 26 8.304 3.487 -7.585 197 1HB ARG 26 HB2 ARG 26 7.480 1.434 -8.625 198 2HB ARG 26 HB3 ARG 26 8.317 0.431 -7.452 199 1HG ARG 26 HG2 ARG 26 6.840 0.931 -5.713 200 2HG ARG 26 HG3 ARG 26 6.302 2.450 -6.435 201 1HD ARG 26 HD2 ARG 26 5.660 -0.276 -7.626 202 2HD ARG 26 HD3 ARG 26 4.597 0.593 -6.495 203 HE ARG 26 HE ARG 26 5.165 2.476 -8.405 204 1HH1 ARG 26 HH21 ARG 26 3.632 -0.734 -8.543 205 2HH1 ARG 26 HH22 ARG 26 2.708 -0.376 -9.954 206 1HH2 ARG 26 HH12 ARG 26 4.006 2.947 -10.263 207 2HH2 ARG 26 HH11 ARG 26 2.899 1.792 -10.947 208 H VAL 27 H VAL 27 7.896 3.909 -5.413 209 HA VAL 27 HA VAL 27 9.603 2.669 -3.323 210 HB VAL 27 HB VAL 27 8.920 5.631 -3.662 211 1HG1 VAL 27 HG11 VAL 27 10.602 5.983 -1.915 212 2HG1 VAL 27 HG12 VAL 27 9.301 4.940 -1.334 213 3HG1 VAL 27 HG13 VAL 27 10.871 4.239 -1.792 214 1HG2 VAL 27 HG21 VAL 27 11.325 6.008 -4.182 215 2HG2 VAL 27 HG22 VAL 27 11.547 4.251 -4.338 216 3HG2 VAL 27 HG23 VAL 27 10.479 5.135 -5.453 217 H HIS 28 H HIS 28 8.317 2.008 -1.641 218 HA HIS 28 HA HIS 28 5.426 2.728 -1.584 219 1HB HIS 28 HB2 HIS 28 7.026 0.628 -0.072 220 2HB HIS 28 HB3 HIS 28 5.273 0.815 -0.069 221 HD1 HIS 28 HD1 HIS 28 4.354 0.758 -2.947 222 HD2 HIS 28 HD2 HIS 28 7.749 -1.341 -1.605 223 HE1 HIS 28 HE1 HIS 28 4.755 -1.112 -4.623 224 H SER 29 H SER 29 4.445 3.528 0.303 225 HA SER 29 HA SER 29 5.920 5.338 1.942 226 1HB SER 29 HB2 SER 29 3.191 4.121 2.465 227 2HB SER 29 HB3 SER 29 3.841 5.587 3.198 228 HG SER 29 HG SER 29 3.227 5.146 0.456 229 H ALA 30 H ALA 30 7.584 4.311 3.134 230 HA ALA 30 HA ALA 30 6.605 3.155 5.606 231 1HB ALA 30 HB1 ALA 30 8.623 1.556 3.980 232 2HB ALA 30 HB2 ALA 30 8.020 1.164 5.596 233 3HB ALA 30 HB3 ALA 30 6.923 1.127 4.217 234 HA PRO 31 HA PRO 31 10.891 5.498 5.786 235 1HB PRO 31 HB2 PRO 31 9.131 7.860 6.431 236 2HB PRO 31 HB3 PRO 31 10.835 7.829 5.867 237 1HG PRO 31 HG2 PRO 31 8.825 8.284 4.103 238 2HG PRO 31 HG3 PRO 31 10.157 7.170 3.668 239 1HD PRO 31 HD2 PRO 31 7.386 6.494 4.680 240 2HD PRO 31 HD3 PRO 31 8.337 5.749 3.365 241 H ARG 32 H ARG 32 11.814 5.558 7.766 242 HA ARG 32 HA ARG 32 12.130 4.673 9.806 243 1HB ARG 32 HB2 ARG 32 10.102 6.802 10.582 244 2HB ARG 32 HB3 ARG 32 11.291 6.053 11.649 245 1HG ARG 32 HG2 ARG 32 13.133 6.909 10.206 246 2HG ARG 32 HG3 ARG 32 11.940 7.777 9.222 247 1HD ARG 32 HD2 ARG 32 11.239 9.083 11.190 248 2HD ARG 32 HD3 ARG 32 12.383 8.192 12.207 249 HE ARG 32 HE ARG 32 13.907 9.194 10.113 250 1HH1 ARG 32 HH21 ARG 32 11.842 10.733 12.570 251 2HH1 ARG 32 HH22 ARG 32 12.974 11.999 12.903 252 1HH2 ARG 32 HH11 ARG 32 15.309 10.973 10.441 253 2HH2 ARG 32 HH12 ARG 32 14.922 12.197 11.586 254 H SER 33 H SER 33 9.970 3.224 8.327 255 HA SER 33 HA SER 33 8.359 1.723 8.599 256 1HB SER 33 HB2 SER 33 9.611 1.208 11.322 257 2HB SER 33 HB3 SER 33 8.654 0.078 10.349 258 HG SER 33 HG SER 33 10.914 -0.265 10.136 259 H GLY 34 H GLY 34 7.635 4.438 9.315 260 1HA GLY 34 HA2 GLY 34 5.300 3.940 11.087 261 2HA GLY 34 HA3 GLY 34 6.484 5.185 11.526 262 H ALA 35 H ALA 35 5.628 4.452 8.166 263 HA ALA 35 HA ALA 35 4.860 7.155 7.574 264 1HB ALA 35 HB1 ALA 35 5.840 5.581 5.924 265 2HB ALA 35 HB2 ALA 35 4.367 4.583 6.002 266 3HB ALA 35 HB3 ALA 35 4.294 6.239 5.366 267 HA PRO 36 HA PRO 36 0.608 6.890 8.811 268 1HB PRO 36 HB2 PRO 36 -0.588 8.888 7.391 269 2HB PRO 36 HB3 PRO 36 0.675 9.205 8.618 270 1HG PRO 36 HG2 PRO 36 1.034 8.953 5.610 271 2HG PRO 36 HG3 PRO 36 1.607 10.274 6.682 272 1HD PRO 36 HD2 PRO 36 3.226 8.208 5.959 273 2HD PRO 36 HD3 PRO 36 3.305 8.916 7.599 274 H ALA 37 H ALA 37 1.460 5.830 5.671 275 HA ALA 37 HA ALA 37 -1.170 4.663 5.104 276 1HB ALA 37 HB1 ALA 37 -1.261 7.010 4.207 277 2HB ALA 37 HB2 ALA 37 0.180 6.667 3.226 278 3HB ALA 37 HB3 ALA 37 -1.341 5.794 2.925 279 H ALA 38 H ALA 38 -0.830 3.704 2.670 280 HA ALA 38 HA ALA 38 1.890 2.594 2.308 281 1HB ALA 38 HB1 ALA 38 -0.640 0.922 2.201 282 2HB ALA 38 HB2 ALA 38 1.024 0.390 1.851 283 3HB ALA 38 HB3 ALA 38 0.582 0.871 3.500 284 H GLU 39 H GLU 39 0.822 4.846 1.085 285 HA GLU 39 HA GLU 39 -0.039 4.115 -1.605 286 1HB GLU 39 HB2 GLU 39 1.060 6.719 -0.432 287 2HB GLU 39 HB3 GLU 39 0.447 6.546 -2.074 288 1HG GLU 39 HG2 GLU 39 -1.174 6.207 0.486 289 2HG GLU 39 HG3 GLU 39 -1.209 7.590 -0.596 290 H SER 40 H SER 40 1.482 4.971 -3.471 291 HA SER 40 HA SER 40 4.332 4.550 -2.886 292 1HB SER 40 HB2 SER 40 2.992 3.082 -5.178 293 2HB SER 40 HB3 SER 40 4.635 2.881 -4.565 294 HG SER 40 HG SER 40 2.209 2.188 -3.246 295 H LYS 41 H LYS 41 5.695 5.280 -4.672 296 HA LYS 41 HA LYS 41 4.533 6.656 -6.932 297 1HB LYS 41 HB2 LYS 41 5.664 8.860 -6.474 298 2HB LYS 41 HB3 LYS 41 4.265 8.501 -5.494 299 1HG LYS 41 HG2 LYS 41 5.718 9.496 -4.024 300 2HG LYS 41 HG3 LYS 41 5.802 7.790 -3.632 301 1HD LYS 41 HD2 LYS 41 7.972 8.738 -3.391 302 2HD LYS 41 HD3 LYS 41 7.998 7.611 -4.732 303 1HE LYS 41 HE2 LYS 41 9.283 9.588 -5.263 304 2HE LYS 41 HE3 LYS 41 7.895 9.485 -6.337 305 1HZ LYS 41 HZ1 LYS 41 6.811 11.175 -4.941 306 2HZ LYS 41 HZ2 LYS 41 8.130 11.274 -3.966 307 3HZ LYS 41 HZ3 LYS 41 8.217 11.693 -5.579 308 H GLU 42 H GLU 42 6.343 7.552 -8.338 309 HA GLU 42 HA GLU 42 8.587 5.605 -8.209 310 1HB GLU 42 HB2 GLU 42 7.044 6.903 -10.478 311 2HB GLU 42 HB3 GLU 42 8.681 6.313 -10.729 312 1HG GLU 42 HG2 GLU 42 7.205 4.617 -11.452 313 2HG GLU 42 HG3 GLU 42 8.015 4.046 -10.002 314 H ILE 43 H ILE 43 10.697 6.366 -8.921 315 HA ILE 43 HA ILE 43 11.101 9.296 -9.038 316 HB ILE 43 HB ILE 43 13.109 9.097 -7.615 317 1HG1 ILE 43 HG12 ILE 43 12.098 6.314 -6.894 318 2HG1 ILE 43 HG13 ILE 43 13.508 6.639 -7.903 319 1HG2 ILE 43 HG21 ILE 43 11.968 9.241 -5.525 320 2HG2 ILE 43 HG22 ILE 43 10.832 9.792 -6.760 321 3HG2 ILE 43 HG23 ILE 43 10.668 8.156 -6.077 322 1HD1 ILE 43 HD11 ILE 43 14.158 6.071 -5.623 323 2HD1 ILE 43 HD12 ILE 43 14.649 7.730 -6.021 324 3HD1 ILE 43 HD13 ILE 43 13.242 7.432 -4.971 325 H VAL 44 H VAL 44 13.136 9.878 -9.985 326 HA VAL 44 HA VAL 44 13.976 7.932 -12.094 327 HB VAL 44 HB VAL 44 13.764 10.960 -12.310 328 1HG1 VAL 44 HG11 VAL 44 13.773 10.550 -14.730 329 2HG1 VAL 44 HG12 VAL 44 15.209 9.835 -13.988 330 3HG1 VAL 44 HG13 VAL 44 13.838 8.801 -14.455 331 1HG2 VAL 44 HG21 VAL 44 11.686 10.715 -13.574 332 2HG2 VAL 44 HG22 VAL 44 11.619 8.992 -13.148 333 3HG2 VAL 44 HG23 VAL 44 11.484 10.243 -11.892 334 H ARG 45 H ARG 45 16.161 7.452 -11.904 335 HA ARG 45 HA ARG 45 18.000 9.568 -10.929 336 1HB ARG 45 HB2 ARG 45 17.948 6.708 -9.882 337 2HB ARG 45 HB3 ARG 45 19.160 7.913 -9.474 338 1HG ARG 45 HG2 ARG 45 16.201 8.030 -8.721 339 2HG ARG 45 HG3 ARG 45 17.525 7.565 -7.666 340 1HD ARG 45 HD2 ARG 45 18.490 9.792 -7.738 341 2HD ARG 45 HD3 ARG 45 17.278 10.323 -8.887 342 HE ARG 45 HE ARG 45 15.667 10.448 -7.251 343 1HH1 ARG 45 HH11 ARG 45 18.612 9.053 -5.838 344 2HH1 ARG 45 HH12 ARG 45 18.051 9.152 -4.214 345 1HH2 ARG 45 HH21 ARG 45 14.926 10.615 -5.093 346 2HH2 ARG 45 HH22 ARG 45 15.897 10.021 -3.787 347 H GLY 46 H GLY 46 20.106 9.398 -11.864 348 1HA GLY 46 HA2 GLY 46 21.080 7.159 -13.283 349 2HA GLY 46 HA3 GLY 46 20.249 8.217 -14.431 350 H TYR 47 H TYR 47 23.211 7.510 -13.787 351 HA TYR 47 HA TYR 47 24.292 10.230 -13.975 352 1HB TYR 47 HB2 TYR 47 25.205 8.396 -11.730 353 2HB TYR 47 HB3 TYR 47 25.676 10.060 -12.006 354 HD1 TYR 47 HD1 TYR 47 24.284 11.912 -11.162 355 HD2 TYR 47 HD2 TYR 47 23.047 7.800 -10.761 356 HE1 TYR 47 HE1 TYR 47 22.683 12.571 -9.383 357 HE2 TYR 47 HE2 TYR 47 21.447 8.442 -8.985 358 HH TYR 47 HH TYR 47 20.739 10.144 -7.582 359 H LYS 48 H LYS 48 26.595 10.156 -14.520 360 HA LYS 48 HA LYS 48 27.289 8.054 -16.278 361 1HB LYS 48 HB2 LYS 48 28.172 10.630 -15.768 362 2HB LYS 48 HB3 LYS 48 29.525 9.700 -15.163 363 1HG LYS 48 HG2 LYS 48 28.282 9.519 -17.951 364 2HG LYS 48 HG3 LYS 48 29.721 10.437 -17.539 365 1HD LYS 48 HD2 LYS 48 29.470 7.402 -17.477 366 2HD LYS 48 HD3 LYS 48 30.296 8.381 -18.688 367 1HE LYS 48 HE2 LYS 48 31.808 9.272 -16.859 368 2HE LYS 48 HE3 LYS 48 31.064 8.109 -15.750 369 1HZ LYS 48 HZ1 LYS 48 31.834 6.325 -17.229 370 2HZ LYS 48 HZ2 LYS 48 32.568 7.421 -18.204 371 3HZ LYS 48 HZ3 LYS 48 33.089 7.222 -16.672 372 H TRP 49 H TRP 49 28.021 8.464 -12.793 373 HA TRP 49 HA TRP 49 30.027 6.431 -12.748 374 1HB TRP 49 HB2 TRP 49 29.586 6.372 -10.285 375 2HB TRP 49 HB3 TRP 49 30.091 7.895 -10.973 376 HD1 TRP 49 HD1 TRP 49 28.802 9.950 -10.302 377 HE1 TRP 49 HE1 TRP 49 26.692 10.471 -8.974 378 HE3 TRP 49 HE3 TRP 49 26.919 5.196 -9.865 379 HZ2 TRP 49 HZ2 TRP 49 24.450 9.010 -7.845 380 HZ3 TRP 49 HZ3 TRP 49 24.740 4.822 -8.795 381 HH2 TRP 49 HH2 TRP 49 23.464 6.721 -7.799 382 H ALA 50 H ALA 50 26.473 6.178 -12.770 383 HA ALA 50 HA ALA 50 26.638 3.301 -12.158 384 1HB ALA 50 HB1 ALA 50 24.733 4.399 -11.251 385 2HB ALA 50 HB2 ALA 50 24.270 5.062 -12.848 386 3HB ALA 50 HB3 ALA 50 24.235 3.302 -12.543 387 H GLU 51 H GLU 51 28.159 2.919 -13.880 388 HA GLU 51 HA GLU 51 27.541 3.264 -16.634 389 1HB GLU 51 HB2 GLU 51 29.259 1.240 -15.148 390 2HB GLU 51 HB3 GLU 51 29.223 1.341 -16.904 391 1HG GLU 51 HG2 GLU 51 29.991 3.672 -15.082 392 2HG GLU 51 HG3 GLU 51 31.135 2.531 -15.776 393 H TYR 52 H TYR 52 26.044 1.192 -14.322 394 HA TYR 52 HA TYR 52 24.487 -0.112 -16.439 395 1HB TYR 52 HB2 TYR 52 24.526 -2.177 -14.779 396 2HB TYR 52 HB3 TYR 52 25.655 -1.994 -16.105 397 HD1 TYR 52 HD1 TYR 52 27.960 -1.235 -15.728 398 HD2 TYR 52 HD2 TYR 52 25.327 -2.160 -12.461 399 HE1 TYR 52 HE1 TYR 52 29.932 -1.421 -14.207 400 HE2 TYR 52 HE2 TYR 52 27.261 -2.352 -10.926 401 HH TYR 52 HH TYR 52 29.580 -2.216 -10.714 402 H HIS 53 H HIS 53 22.366 -0.384 -15.844 403 HA HIS 53 HA HIS 53 21.211 1.404 -14.067 404 1HB HIS 53 HB2 HIS 53 19.763 -1.136 -14.832 405 2HB HIS 53 HB3 HIS 53 19.137 0.503 -14.707 406 HD1 HIS 53 HD1 HIS 53 19.369 2.005 -16.984 407 HD2 HIS 53 HD2 HIS 53 21.168 -1.813 -17.041 408 HE1 HIS 53 HE1 HIS 53 20.162 1.590 -19.379 409 H ALA 54 H ALA 54 22.170 -1.973 -13.466 410 HA ALA 54 HA ALA 54 20.742 -2.359 -11.049 411 1HB ALA 54 HB1 ALA 54 22.381 -4.148 -10.615 412 2HB ALA 54 HB2 ALA 54 21.834 -4.193 -12.302 413 3HB ALA 54 HB3 ALA 54 23.433 -3.524 -11.898 414 H ASP 55 H ASP 55 23.702 -0.475 -11.701 415 HA ASP 55 HA ASP 55 24.662 -0.484 -8.989 416 1HB ASP 55 HB2 ASP 55 25.966 0.217 -11.108 417 2HB ASP 55 HB3 ASP 55 25.090 1.722 -11.035 418 H ILE 56 H ILE 56 22.642 1.803 -10.886 419 HA ILE 56 HA ILE 56 22.181 3.545 -8.632 420 HB ILE 56 HB ILE 56 20.063 4.113 -10.228 421 1HG1 ILE 56 HG12 ILE 56 22.071 2.893 -12.137 422 2HG1 ILE 56 HG13 ILE 56 20.319 2.677 -12.011 423 1HG2 ILE 56 HG21 ILE 56 21.635 5.629 -9.235 424 2HG2 ILE 56 HG22 ILE 56 22.829 5.269 -10.504 425 3HG2 ILE 56 HG23 ILE 56 21.282 6.059 -10.898 426 1HD1 ILE 56 HD11 ILE 56 20.070 5.033 -12.805 427 2HD1 ILE 56 HD12 ILE 56 21.840 5.091 -13.041 428 3HD1 ILE 56 HD13 ILE 56 20.862 3.945 -13.972 429 H TYR 57 H TYR 57 20.330 0.735 -10.033 430 HA TYR 57 HA TYR 57 18.097 1.155 -8.329 431 1HB TYR 57 HB2 TYR 57 17.958 -0.475 -10.116 432 2HB TYR 57 HB3 TYR 57 19.264 -1.428 -9.416 433 HD1 TYR 57 HD1 TYR 57 16.114 0.121 -7.967 434 HD2 TYR 57 HD2 TYR 57 18.459 -3.459 -8.560 435 HE1 TYR 57 HE1 TYR 57 14.538 -1.140 -6.551 436 HE2 TYR 57 HE2 TYR 57 16.861 -4.738 -7.180 437 HH TYR 57 HH TYR 57 14.910 -4.659 -5.905 438 H ASP 58 H ASP 58 21.147 -0.749 -7.722 439 HA ASP 58 HA ASP 58 20.425 -1.558 -5.108 440 1HB ASP 58 HB2 ASP 58 22.260 -2.595 -6.324 441 2HB ASP 58 HB3 ASP 58 23.166 -1.077 -6.331 442 H LYS 59 H LYS 59 22.362 1.299 -6.181 443 HA LYS 59 HA LYS 59 22.887 2.332 -3.590 444 1HB LYS 59 HB2 LYS 59 24.132 3.027 -5.490 445 2HB LYS 59 HB3 LYS 59 22.704 3.621 -6.337 446 1HG LYS 59 HG2 LYS 59 22.626 5.599 -5.205 447 2HG LYS 59 HG3 LYS 59 23.238 4.908 -3.684 448 1HD LYS 59 HD2 LYS 59 25.494 4.830 -4.495 449 2HD LYS 59 HD3 LYS 59 24.993 5.276 -6.132 450 1HE LYS 59 HE2 LYS 59 24.159 7.477 -5.234 451 2HE LYS 59 HE3 LYS 59 24.785 7.030 -3.641 452 1HZ LYS 59 HZ1 LYS 59 27.008 6.944 -4.623 453 2HZ LYS 59 HZ2 LYS 59 26.416 7.358 -6.095 454 3HZ LYS 59 HZ3 LYS 59 26.347 8.414 -4.851 455 H VAL 60 H VAL 60 20.224 3.155 -5.882 456 HA VAL 60 HA VAL 60 19.134 5.130 -4.113 457 HB VAL 60 HB VAL 60 17.966 3.813 -6.578 458 1HG1 VAL 60 HG11 VAL 60 16.420 5.737 -6.589 459 2HG1 VAL 60 HG12 VAL 60 16.225 4.836 -5.076 460 3HG1 VAL 60 HG13 VAL 60 17.131 6.342 -5.064 461 1HG2 VAL 60 HG21 VAL 60 20.146 5.164 -6.862 462 2HG2 VAL 60 HG22 VAL 60 18.759 5.727 -7.768 463 3HG2 VAL 60 HG23 VAL 60 19.257 6.564 -6.266 464 H SER 61 H SER 61 18.203 1.672 -4.823 465 HA SER 61 HA SER 61 15.972 1.715 -3.054 466 1HB SER 61 HB2 SER 61 16.501 -0.023 -4.801 467 2HB SER 61 HB3 SER 61 17.738 -0.673 -3.703 468 HG SER 61 HG SER 61 15.637 -1.686 -3.574 469 H GLY 62 H GLY 62 19.499 1.152 -2.487 470 1HA GLY 62 HA2 GLY 62 19.382 0.487 0.249 471 2HA GLY 62 HA3 GLY 62 20.713 1.318 -0.579 472 H ASP 63 H ASP 63 19.653 3.777 -1.303 473 HA ASP 63 HA ASP 63 19.629 5.185 1.160 474 1HB ASP 63 HB2 ASP 63 20.342 6.185 -1.000 475 2HB ASP 63 HB3 ASP 63 18.657 6.211 -1.529 476 H MET 64 H MET 64 16.905 4.450 -1.125 477 HA MET 64 HA MET 64 14.843 5.595 0.433 478 1HB MET 64 HB2 MET 64 14.835 3.095 -1.310 479 2HB MET 64 HB3 MET 64 13.392 3.917 -0.727 480 1HG MET 64 HG2 MET 64 15.383 5.086 -2.683 481 2HG MET 64 HG3 MET 64 13.773 4.493 -3.026 482 1HE MET 64 HE1 MET 64 15.019 8.601 -1.593 483 2HE MET 64 HE2 MET 64 15.761 7.163 -0.879 484 3HE MET 64 HE3 MET 64 15.875 7.442 -2.635 485 H GLN 65 H GLN 65 16.226 2.247 0.690 486 HA GLN 65 HA GLN 65 14.448 1.475 2.773 487 1HB GLN 65 HB2 GLN 65 17.139 0.497 1.750 488 2HB GLN 65 HB3 GLN 65 16.366 -0.269 3.141 489 1HG GLN 65 HG2 GLN 65 14.452 -0.935 1.822 490 2HG GLN 65 HG3 GLN 65 15.005 -0.013 0.427 491 1HE2 GLN 65 HE22 GLN 65 16.069 -1.270 -1.141 492 2HE2 GLN 65 HE21 GLN 65 16.901 -2.764 -0.789 493 H LYS 66 H LYS 66 17.644 3.124 2.861 494 HA LYS 66 HA LYS 66 17.963 3.043 5.705 495 1HB LYS 66 HB2 LYS 66 19.784 3.588 4.225 496 2HB LYS 66 HB3 LYS 66 18.886 4.911 3.515 497 1HG LYS 66 HG2 LYS 66 18.994 6.107 5.770 498 2HG LYS 66 HG3 LYS 66 20.064 4.800 6.308 499 1HD LYS 66 HD2 LYS 66 21.450 6.630 5.562 500 2HD LYS 66 HD3 LYS 66 21.567 5.340 4.346 501 1HE LYS 66 HE2 LYS 66 19.826 6.542 2.974 502 2HE LYS 66 HE3 LYS 66 19.798 7.836 4.169 503 1HZ LYS 66 HZ1 LYS 66 21.987 8.445 3.550 504 2HZ LYS 66 HZ2 LYS 66 22.249 7.065 2.701 505 3HZ LYS 66 HZ3 LYS 66 21.174 8.157 2.139 506 H GLN 67 H GLN 67 16.200 5.358 3.517 507 HA GLN 67 HA GLN 67 15.232 6.996 5.681 508 1HB GLN 67 HB2 GLN 67 13.959 6.507 2.956 509 2HB GLN 67 HB3 GLN 67 13.522 7.759 4.118 510 1HG GLN 67 HG2 GLN 67 15.922 8.616 3.969 511 2HG GLN 67 HG3 GLN 67 16.178 7.467 2.661 512 1HE2 GLN 67 HE22 GLN 67 16.450 8.799 0.850 513 2HE2 GLN 67 HE21 GLN 67 15.274 10.020 0.401 514 H GLY 68 H GLY 68 14.059 4.006 4.215 515 1HA GLY 68 HA2 GLY 68 13.336 2.487 6.151 516 2HA GLY 68 HA3 GLY 68 12.021 3.638 6.368 517 H CYS 69 H CYS 69 12.528 3.625 3.093 518 HA CYS 69 HA CYS 69 9.931 2.484 2.623 519 1HB CYS 69 HB2 CYS 69 12.141 3.605 0.885 520 2HB CYS 69 HB3 CYS 69 10.593 3.058 0.220 521 HG CYS 69 HG CYS 69 9.074 4.646 1.264 522 H ASP 70 H ASP 70 9.702 1.104 0.568 523 HA ASP 70 HA ASP 70 11.730 -1.012 0.253 524 1HB ASP 70 HB2 ASP 70 9.985 -2.046 1.646 525 2HB ASP 70 HB3 ASP 70 8.729 -1.463 0.546 526 H CYS 71 H CYS 71 11.859 -1.579 -2.012 527 HA CYS 71 HA CYS 71 10.327 0.172 -3.851 528 1HB CYS 71 HB2 CYS 71 13.375 0.025 -3.663 529 2HB CYS 71 HB3 CYS 71 12.437 1.003 -4.798 530 HG CYS 71 HG CYS 71 13.550 2.514 -3.011 531 H GLU 72 H GLU 72 10.970 -0.208 -6.172 532 HA GLU 72 HA GLU 72 12.492 -2.578 -6.820 533 1HB GLU 72 HB2 GLU 72 10.723 -3.601 -8.240 534 2HB GLU 72 HB3 GLU 72 10.449 -3.773 -6.509 535 1HG GLU 72 HG2 GLU 72 8.761 -1.948 -6.591 536 2HG GLU 72 HG3 GLU 72 9.038 -1.776 -8.324 537 H CYS 73 H CYS 73 13.453 -2.281 -8.848 538 HA CYS 73 HA CYS 73 12.988 0.203 -10.308 539 1HB CYS 73 HB2 CYS 73 14.581 -0.931 -11.959 540 2HB CYS 73 HB3 CYS 73 15.242 -0.536 -10.374 541 HG CYS 73 HG CYS 73 13.930 -3.413 -11.324 542 H LEU 74 H LEU 74 11.184 0.419 -11.538 543 HA LEU 74 HA LEU 74 9.593 -1.887 -12.375 544 1HB LEU 74 HB2 LEU 74 9.420 1.056 -13.148 545 2HB LEU 74 HB3 LEU 74 8.237 -0.182 -13.543 546 HG LEU 74 HG LEU 74 8.900 0.874 -10.766 547 1HD1 LEU 74 HD11 LEU 74 7.489 2.329 -12.198 548 2HD1 LEU 74 HD12 LEU 74 6.346 0.994 -12.431 549 3HD1 LEU 74 HD13 LEU 74 6.586 1.691 -10.817 550 1HD2 LEU 74 HD21 LEU 74 7.027 -0.574 -9.961 551 2HD2 LEU 74 HD22 LEU 74 6.971 -1.357 -11.555 552 3HD2 LEU 74 HD23 LEU 74 8.411 -1.510 -10.522 553 H GLY 75 H GLY 75 12.181 0.086 -13.701 554 1HA GLY 75 HA2 GLY 75 13.033 -1.699 -15.630 555 2HA GLY 75 HA3 GLY 75 11.918 -0.598 -16.460 556 H GLY 76 H GLY 76 13.989 0.062 -17.587 557 1HA GLY 76 HA2 GLY 76 14.714 2.633 -16.600 558 2HA GLY 76 HA3 GLY 76 16.080 1.518 -16.409 559 H GLY 77 H GLY 77 17.105 2.969 -17.991 560 1HA GLY 77 HA2 GLY 77 17.150 2.019 -20.669 561 2HA GLY 77 HA3 GLY 77 16.183 3.506 -20.570 562 H ARG 78 H ARG 78 17.911 4.646 -21.777 563 HA ARG 78 HA ARG 78 19.985 5.546 -19.887 564 1HB ARG 78 HB2 ARG 78 21.779 5.429 -21.340 565 2HB ARG 78 HB3 ARG 78 21.009 3.855 -21.481 566 1HG ARG 78 HG2 ARG 78 19.949 4.626 -23.646 567 2HG ARG 78 HG3 ARG 78 20.787 6.181 -23.434 568 1HD ARG 78 HD2 ARG 78 22.184 4.991 -24.889 569 2HD ARG 78 HD3 ARG 78 22.955 4.910 -23.293 570 HE ARG 78 HE ARG 78 21.201 2.679 -24.249 571 1HH1 ARG 78 HH21 ARG 78 24.540 3.803 -23.724 572 2HH1 ARG 78 HH22 ARG 78 25.222 2.223 -23.773 573 1HH2 ARG 78 HH11 ARG 78 22.083 0.593 -24.220 574 2HH2 ARG 78 HH12 ARG 78 23.784 0.340 -23.965 575 H ILE 79 H ILE 79 20.966 7.594 -20.644 576 HA ILE 79 HA ILE 79 18.854 9.372 -21.698 577 HB ILE 79 HB ILE 79 20.354 9.379 -19.047 578 1HG1 ILE 79 HG12 ILE 79 17.436 9.547 -19.912 579 2HG1 ILE 79 HG13 ILE 79 18.216 8.237 -19.042 580 1HG2 ILE 79 HG21 ILE 79 20.603 11.676 -20.038 581 2HG2 ILE 79 HG22 ILE 79 18.844 11.723 -20.319 582 3HG2 ILE 79 HG23 ILE 79 19.512 11.716 -18.673 583 1HD1 ILE 79 HD11 ILE 79 17.482 10.987 -17.964 584 2HD1 ILE 79 HD12 ILE 79 16.836 9.419 -17.487 585 3HD1 ILE 79 HD13 ILE 79 18.516 9.836 -17.081 586 H SER 80 H SER 80 19.643 10.994 -22.960 587 HA SER 80 HA SER 80 22.572 11.397 -23.202 588 1HB SER 80 HB2 SER 80 20.712 10.671 -25.514 589 2HB SER 80 HB3 SER 80 22.432 11.069 -25.638 590 HG SER 80 HG SER 80 22.089 8.826 -25.665 591 H HIS 81 H HIS 81 23.039 13.508 -23.644 592 HA HIS 81 HA HIS 81 21.009 15.543 -23.993 593 1HB HIS 81 HB2 HIS 81 23.218 15.967 -23.000 594 2HB HIS 81 HB3 HIS 81 24.011 15.456 -24.487 595 HD1 HIS 81 HD1 HIS 81 21.065 18.015 -24.636 596 HD2 HIS 81 HD2 HIS 81 25.275 17.725 -24.810 597 HE1 HIS 81 HE1 HIS 81 21.922 20.273 -25.373 598 H GLN 82 H GLN 82 20.173 16.391 -25.973 599 HA GLN 82 HA GLN 82 20.316 14.681 -28.278 600 1HB GLN 82 HB2 GLN 82 19.275 17.528 -27.959 601 2HB GLN 82 HB3 GLN 82 19.185 16.574 -29.446 602 1HG GLN 82 HG2 GLN 82 17.964 14.781 -28.044 603 2HG GLN 82 HG3 GLN 82 17.798 16.014 -26.796 604 1HE2 GLN 82 HE22 GLN 82 15.382 15.183 -27.479 605 2HE2 GLN 82 HE21 GLN 82 14.644 16.105 -28.747 606 H SER 83 H SER 83 21.445 14.902 -30.204 607 HA SER 83 HA SER 83 24.088 15.580 -29.924 608 1HB SER 83 HB2 SER 83 22.619 15.311 -32.568 609 2HB SER 83 HB3 SER 83 24.297 14.870 -32.205 610 HG SER 83 HG SER 83 22.903 13.049 -32.221 611 H GLN 84 H GLN 84 21.537 17.736 -31.069 612 HA GLN 84 HA GLN 84 23.504 19.875 -31.595 613 1HB GLN 84 HB2 GLN 84 22.590 20.282 -33.844 614 2HB GLN 84 HB3 GLN 84 23.340 18.700 -33.721 615 1HG GLN 84 HG2 GLN 84 21.129 17.611 -33.554 616 2HG GLN 84 HG3 GLN 84 20.329 19.184 -33.583 617 1HE2 GLN 84 HE22 GLN 84 20.323 20.420 -35.598 618 2HE2 GLN 84 HE21 GLN 84 20.677 19.643 -37.120 619 H ASP 85 H ASP 85 21.351 19.367 -29.531 620 HA ASP 85 HA ASP 85 19.823 21.858 -29.834 621 1HB ASP 85 HB2 ASP 85 18.413 20.222 -31.021 622 2HB ASP 85 HB3 ASP 85 18.527 19.110 -29.657 623 H LYS 86 H LYS 86 18.933 22.518 -27.771 624 HA LYS 86 HA LYS 86 20.691 21.995 -25.645 625 1HB LYS 86 HB2 LYS 86 19.252 23.427 -24.309 626 2HB LYS 86 HB3 LYS 86 19.554 24.101 -25.909 627 1HG LYS 86 HG2 LYS 86 17.282 23.366 -26.645 628 2HG LYS 86 HG3 LYS 86 17.001 22.648 -25.056 629 1HD LYS 86 HD2 LYS 86 15.874 24.773 -25.198 630 2HD LYS 86 HD3 LYS 86 17.166 24.864 -23.991 631 1HE LYS 86 HE2 LYS 86 18.616 26.034 -25.639 632 2HE LYS 86 HE3 LYS 86 17.348 25.892 -26.864 633 1HZ LYS 86 HZ1 LYS 86 17.111 27.422 -24.335 634 2HZ LYS 86 HZ2 LYS 86 17.337 28.064 -25.815 635 3HZ LYS 86 HZ3 LYS 86 15.941 27.298 -25.474 636 H LYS 87 H LYS 87 17.697 20.270 -26.430 637 HA LYS 87 HA LYS 87 17.030 19.590 -23.726 638 1HB LYS 87 HB2 LYS 87 16.203 18.360 -26.385 639 2HB LYS 87 HB3 LYS 87 15.481 17.934 -24.831 640 1HG LYS 87 HG2 LYS 87 14.865 20.338 -24.467 641 2HG LYS 87 HG3 LYS 87 15.419 20.713 -26.085 642 1HD LYS 87 HD2 LYS 87 13.156 18.825 -25.315 643 2HD LYS 87 HD3 LYS 87 12.989 20.418 -26.046 644 1HE LYS 87 HE2 LYS 87 14.231 17.957 -27.350 645 2HE LYS 87 HE3 LYS 87 12.626 18.614 -27.685 646 1HZ LYS 87 HZ1 LYS 87 14.220 19.319 -29.346 647 2HZ LYS 87 HZ2 LYS 87 13.702 20.630 -28.521 648 3HZ LYS 87 HZ3 LYS 87 15.196 20.006 -28.225 649 H ILE 88 H ILE 88 16.639 17.279 -23.112 650 HA ILE 88 HA ILE 88 18.890 15.448 -23.756 651 HB ILE 88 HB ILE 88 17.689 16.160 -21.055 652 1HG1 ILE 88 HG12 ILE 88 20.601 16.026 -21.935 653 2HG1 ILE 88 HG13 ILE 88 19.642 17.502 -21.943 654 1HG2 ILE 88 HG21 ILE 88 18.968 14.325 -20.040 655 2HG2 ILE 88 HG22 ILE 88 17.760 13.711 -21.145 656 3HG2 ILE 88 HG23 ILE 88 19.471 13.769 -21.649 657 1HD1 ILE 88 HD11 ILE 88 20.479 15.886 -19.513 658 2HD1 ILE 88 HD12 ILE 88 20.949 17.529 -19.967 659 3HD1 ILE 88 HD13 ILE 88 19.280 17.203 -19.458 660 H HIS 89 H HIS 89 18.217 13.201 -23.667 661 HA HIS 89 HA HIS 89 15.328 12.804 -24.264 662 1HB HIS 89 HB2 HIS 89 16.908 13.079 -26.255 663 2HB HIS 89 HB3 HIS 89 17.713 11.603 -25.728 664 HD1 HIS 89 HD1 HIS 89 14.237 12.797 -26.923 665 HD2 HIS 89 HD2 HIS 89 16.652 9.364 -26.659 666 HE1 HIS 89 HE1 HIS 89 13.024 10.957 -28.229 667 H VAL 90 H VAL 90 14.533 10.752 -23.642 668 HA VAL 90 HA VAL 90 16.289 9.040 -21.936 669 HB VAL 90 HB VAL 90 13.345 9.719 -21.492 670 1HG1 VAL 90 HG11 VAL 90 13.696 8.739 -19.278 671 2HG1 VAL 90 HG12 VAL 90 14.177 7.582 -20.526 672 3HG1 VAL 90 HG13 VAL 90 15.413 8.469 -19.624 673 1HG2 VAL 90 HG21 VAL 90 14.484 11.820 -21.131 674 2HG2 VAL 90 HG22 VAL 90 14.069 11.131 -19.564 675 3HG2 VAL 90 HG23 VAL 90 15.742 11.039 -20.154 676 H TYR 91 H TYR 91 16.334 6.926 -22.809 677 HA TYR 91 HA TYR 91 14.014 5.893 -24.264 678 1HB TYR 91 HB2 TYR 91 14.943 5.914 -26.426 679 2HB TYR 91 HB3 TYR 91 15.109 7.537 -25.844 680 HD1 TYR 91 HD1 TYR 91 16.698 5.227 -27.769 681 HD2 TYR 91 HD2 TYR 91 17.585 7.832 -24.442 682 HE1 TYR 91 HE1 TYR 91 19.111 5.091 -28.305 683 HE2 TYR 91 HE2 TYR 91 19.967 7.687 -24.950 684 HH TYR 91 HH TYR 91 21.261 5.785 -27.716 685 H GLY 92 H GLY 92 14.942 3.834 -25.611 686 1HA GLY 92 HA2 GLY 92 16.112 1.844 -25.598 687 2HA GLY 92 HA3 GLY 92 17.198 2.497 -24.364 688 H TYR 93 H TYR 93 17.105 0.447 -23.339 689 HA TYR 93 HA TYR 93 14.848 0.059 -21.518 690 1HB TYR 93 HB2 TYR 93 14.886 -2.401 -22.015 691 2HB TYR 93 HB3 TYR 93 14.222 -1.428 -23.315 692 HD1 TYR 93 HD1 TYR 93 17.053 -3.577 -22.272 693 HD2 TYR 93 HD2 TYR 93 15.373 -1.222 -25.476 694 HE1 TYR 93 HE1 TYR 93 18.656 -4.597 -23.850 695 HE2 TYR 93 HE2 TYR 93 16.967 -2.247 -27.068 696 HH TYR 93 HH TYR 93 19.406 -4.690 -26.060 697 H SER 94 H SER 94 15.573 -1.104 -19.584 698 HA SER 94 HA SER 94 18.411 -0.754 -19.129 699 1HB SER 94 HB2 SER 94 18.017 -1.676 -16.903 700 2HB SER 94 HB3 SER 94 16.907 -0.362 -17.276 701 HG SER 94 HG SER 94 15.293 -1.954 -17.713 702 H MET 95 H MET 95 20.006 -2.260 -19.159 703 HA MET 95 HA MET 95 19.696 -4.622 -20.673 704 1HB MET 95 HB2 MET 95 21.909 -3.790 -18.746 705 2HB MET 95 HB3 MET 95 22.038 -5.111 -19.902 706 1HG MET 95 HG2 MET 95 21.637 -2.174 -20.570 707 2HG MET 95 HG3 MET 95 23.121 -3.094 -20.753 708 1HE MET 95 HE1 MET 95 23.566 -4.916 -22.589 709 2HE MET 95 HE2 MET 95 22.147 -5.876 -22.107 710 3HE MET 95 HE3 MET 95 22.380 -5.428 -23.808 711 H ALA 96 H ALA 96 18.631 -4.231 -17.477 712 HA ALA 96 HA ALA 96 18.861 -7.157 -16.936 713 1HB ALA 96 HB1 ALA 96 20.492 -5.923 -15.589 714 2HB ALA 96 HB2 ALA 96 19.207 -4.859 -14.973 715 3HB ALA 96 HB3 ALA 96 19.205 -6.586 -14.563 716 H TYR 97 H TYR 97 16.685 -4.337 -16.971 717 HA TYR 97 HA TYR 97 14.572 -6.052 -15.764 718 1HB TYR 97 HB2 TYR 97 14.869 -3.099 -15.184 719 2HB TYR 97 HB3 TYR 97 13.849 -4.271 -14.382 720 HD1 TYR 97 HD1 TYR 97 15.060 -6.217 -13.091 721 HD2 TYR 97 HD2 TYR 97 16.989 -2.552 -14.300 722 HE1 TYR 97 HE1 TYR 97 16.842 -6.609 -11.414 723 HE2 TYR 97 HE2 TYR 97 18.769 -2.925 -12.620 724 HH TYR 97 HH TYR 97 19.606 -4.367 -10.967 725 H GLY 98 H GLY 98 15.428 -4.484 -18.583 726 1HA GLY 98 HA2 GLY 98 14.130 -4.265 -20.481 727 2HA GLY 98 HA3 GLY 98 12.671 -4.578 -19.539 728 HA PRO 99 HA PRO 99 13.011 -0.016 -20.558 729 1HB PRO 99 HB2 PRO 99 10.702 0.304 -21.987 730 2HB PRO 99 HB3 PRO 99 12.233 -0.251 -22.725 731 1HG PRO 99 HG2 PRO 99 9.884 -1.928 -21.810 732 2HG PRO 99 HG3 PRO 99 10.814 -2.057 -23.335 733 1HD PRO 99 HD2 PRO 99 11.277 -3.660 -21.152 734 2HD PRO 99 HD3 PRO 99 12.583 -3.166 -22.267 735 H ALA 100 H ALA 100 12.215 1.477 -19.201 736 HA ALA 100 HA ALA 100 10.106 0.831 -17.254 737 1HB ALA 100 HB1 ALA 100 10.587 3.130 -16.483 738 2HB ALA 100 HB2 ALA 100 12.114 2.265 -16.693 739 3HB ALA 100 HB3 ALA 100 11.567 3.414 -17.931 740 H GLN 101 H GLN 101 8.440 2.686 -16.967 741 HA GLN 101 HA GLN 101 7.043 3.295 -19.509 742 1HB GLN 101 HB2 GLN 101 6.445 3.724 -16.562 743 2HB GLN 101 HB3 GLN 101 5.523 4.554 -17.833 744 1HG GLN 101 HG2 GLN 101 4.819 2.463 -18.790 745 2HG GLN 101 HG3 GLN 101 5.807 1.545 -17.630 746 1HE2 GLN 101 HE22 GLN 101 2.964 3.753 -17.895 747 2HE2 GLN 101 HE21 GLN 101 2.217 3.233 -16.408 748 H HIS 102 H HIS 102 8.935 4.451 -20.339 749 HA HIS 102 HA HIS 102 10.293 6.479 -19.045 750 1HB HIS 102 HB2 HIS 102 9.754 5.960 -21.976 751 2HB HIS 102 HB3 HIS 102 10.870 7.225 -21.435 752 HD1 HIS 102 HD1 HIS 102 10.962 3.597 -22.261 753 HD2 HIS 102 HD2 HIS 102 12.676 6.198 -19.441 754 HE1 HIS 102 HE1 HIS 102 12.940 2.354 -21.236 755 H ALA 103 H ALA 103 7.074 6.732 -20.131 756 HA ALA 103 HA ALA 103 6.888 9.572 -20.558 757 1HB ALA 103 HB1 ALA 103 5.116 8.060 -21.281 758 2HB ALA 103 HB2 ALA 103 4.859 7.484 -19.613 759 3HB ALA 103 HB3 ALA 103 4.470 9.166 -20.058 760 H ILE 104 H ILE 104 6.839 7.454 -17.635 761 HA ILE 104 HA ILE 104 6.082 9.468 -15.747 762 HB ILE 104 HB ILE 104 7.851 7.007 -15.346 763 1HG1 ILE 104 HG12 ILE 104 4.813 7.223 -15.167 764 2HG1 ILE 104 HG13 ILE 104 5.742 6.345 -16.386 765 1HG2 ILE 104 HG21 ILE 104 7.915 8.615 -13.482 766 2HG2 ILE 104 HG22 ILE 104 6.142 8.557 -13.350 767 3HG2 ILE 104 HG23 ILE 104 7.138 7.124 -12.995 768 1HD1 ILE 104 HD11 ILE 104 6.684 4.889 -14.595 769 2HD1 ILE 104 HD12 ILE 104 5.506 5.613 -13.466 770 3HD1 ILE 104 HD13 ILE 104 4.945 4.721 -14.893 771 H SER 105 H SER 105 9.252 8.240 -16.968 772 HA SER 105 HA SER 105 10.948 9.749 -15.431 773 1HB SER 105 HB2 SER 105 11.457 9.062 -18.344 774 2HB SER 105 HB3 SER 105 12.606 9.155 -17.016 775 HG SER 105 HG SER 105 12.145 6.983 -17.198 776 H THR 106 H THR 106 9.790 10.602 -18.765 777 HA THR 106 HA THR 106 11.047 13.146 -18.708 778 HB THR 106 HB THR 106 9.430 13.628 -20.652 779 HG1 THR 106 HG1 THR 106 7.808 12.138 -20.260 780 1HG2 THR 106 HG21 THR 106 11.764 12.824 -20.899 781 2HG2 THR 106 HG22 THR 106 11.191 11.145 -20.784 782 3HG2 THR 106 HG23 THR 106 10.679 12.175 -22.141 783 H GLU 107 H GLU 107 7.649 12.248 -17.773 784 HA GLU 107 HA GLU 107 6.817 14.957 -17.509 785 1HB GLU 107 HB2 GLU 107 5.865 12.355 -16.257 786 2HB GLU 107 HB3 GLU 107 5.101 13.895 -15.881 787 1HG GLU 107 HG2 GLU 107 5.373 12.821 -18.722 788 2HG GLU 107 HG3 GLU 107 3.968 12.561 -17.695 789 H LYS 108 H LYS 108 8.287 12.684 -15.127 790 HA LYS 108 HA LYS 108 8.171 14.559 -12.946 791 1HB LYS 108 HB2 LYS 108 9.866 12.090 -13.485 792 2HB LYS 108 HB3 LYS 108 9.980 13.043 -11.992 793 1HG LYS 108 HG2 LYS 108 7.605 12.713 -11.531 794 2HG LYS 108 HG3 LYS 108 7.420 11.742 -12.995 795 1HD LYS 108 HD2 LYS 108 8.906 10.030 -12.157 796 2HD LYS 108 HD3 LYS 108 9.384 11.005 -10.768 797 1HE LYS 108 HE2 LYS 108 6.455 10.375 -11.245 798 2HE LYS 108 HE3 LYS 108 7.504 9.167 -10.480 799 1HZ LYS 108 HZ1 LYS 108 6.305 10.895 -8.987 800 2HZ LYS 108 HZ2 LYS 108 7.876 10.490 -8.682 801 3HZ LYS 108 HZ3 LYS 108 7.572 11.890 -9.403 802 H ILE 109 H ILE 109 10.762 13.824 -15.362 803 HA ILE 109 HA ILE 109 12.642 15.671 -14.278 804 HB ILE 109 HB ILE 109 12.212 14.500 -17.046 805 1HG1 ILE 109 HG12 ILE 109 14.580 14.213 -15.130 806 2HG1 ILE 109 HG13 ILE 109 13.159 13.174 -15.006 807 1HG2 ILE 109 HG21 ILE 109 13.217 16.721 -17.447 808 2HG2 ILE 109 HG22 ILE 109 14.429 16.409 -16.196 809 3HG2 ILE 109 HG23 ILE 109 14.434 15.471 -17.683 810 1HD1 ILE 109 HD11 ILE 109 14.872 12.025 -16.271 811 2HD1 ILE 109 HD12 ILE 109 13.519 12.402 -17.354 812 3HD1 ILE 109 HD13 ILE 109 15.018 13.358 -17.418 813 H LYS 110 H LYS 110 10.048 16.202 -16.786 814 HA LYS 110 HA LYS 110 10.656 18.949 -17.139 815 1HB LYS 110 HB2 LYS 110 8.083 17.360 -17.494 816 2HB LYS 110 HB3 LYS 110 8.200 19.082 -17.890 817 1HG LYS 110 HG2 LYS 110 9.978 18.687 -19.493 818 2HG LYS 110 HG3 LYS 110 10.068 16.977 -19.055 819 1HD LYS 110 HD2 LYS 110 7.794 16.593 -19.903 820 2HD LYS 110 HD3 LYS 110 7.649 18.318 -20.330 821 1HE LYS 110 HE2 LYS 110 9.612 18.108 -21.842 822 2HE LYS 110 HE3 LYS 110 9.784 16.407 -21.404 823 1HZ LYS 110 HZ1 LYS 110 7.595 16.010 -22.414 824 2HZ LYS 110 HZ2 LYS 110 7.477 17.582 -22.852 825 3HZ LYS 110 HZ3 LYS 110 8.654 16.638 -23.486 826 H ALA 111 H ALA 111 8.511 17.378 -14.709 827 HA ALA 111 HA ALA 111 7.537 19.799 -13.583 828 1HB ALA 111 HB1 ALA 111 6.523 17.587 -13.161 829 2HB ALA 111 HB2 ALA 111 7.966 17.087 -12.249 830 3HB ALA 111 HB3 ALA 111 6.946 18.405 -11.645 831 H LYS 112 H LYS 112 10.402 17.779 -12.656 832 HA LYS 112 HA LYS 112 11.116 19.611 -10.521 833 1HB LYS 112 HB2 LYS 112 12.508 17.204 -11.740 834 2HB LYS 112 HB3 LYS 112 13.216 18.142 -10.432 835 1HG LYS 112 HG2 LYS 112 10.535 16.700 -10.341 836 2HG LYS 112 HG3 LYS 112 12.028 16.158 -9.583 837 1HD LYS 112 HD2 LYS 112 10.357 18.570 -8.791 838 2HD LYS 112 HD3 LYS 112 10.558 17.064 -7.909 839 1HE LYS 112 HE2 LYS 112 12.981 17.545 -7.600 840 2HE LYS 112 HE3 LYS 112 12.793 19.065 -8.481 841 1HZ LYS 112 HZ1 LYS 112 11.442 18.417 -5.924 842 2HZ LYS 112 HZ2 LYS 112 12.718 19.415 -6.099 843 3HZ LYS 112 HZ3 LYS 112 11.280 19.821 -6.744 844 H TYR 113 H TYR 113 11.850 19.537 -13.897 845 HA TYR 113 HA TYR 113 13.054 20.818 -15.238 846 1HB TYR 113 HB2 TYR 113 11.483 22.425 -13.969 847 2HB TYR 113 HB3 TYR 113 12.913 23.011 -13.154 848 HD1 TYR 113 HD1 TYR 113 14.538 24.441 -14.388 849 HD2 TYR 113 HD2 TYR 113 11.085 22.752 -16.352 850 HE1 TYR 113 HE1 TYR 113 14.856 26.004 -16.279 851 HE2 TYR 113 HE2 TYR 113 11.372 24.335 -18.229 852 HH TYR 113 HH TYR 113 12.633 26.085 -19.105 853 HA PRO 114 HA PRO 114 17.212 20.391 -13.080 854 1HB PRO 114 HB2 PRO 114 18.107 18.008 -14.012 855 2HB PRO 114 HB3 PRO 114 17.020 18.093 -12.589 856 1HG PRO 114 HG2 PRO 114 16.288 17.546 -15.468 857 2HG PRO 114 HG3 PRO 114 15.795 16.628 -14.008 858 1HD PRO 114 HD2 PRO 114 14.241 18.590 -15.177 859 2HD PRO 114 HD3 PRO 114 14.205 18.234 -13.420 860 H ASP 115 H ASP 115 15.704 20.186 -16.212 861 HA ASP 115 HA ASP 115 17.846 21.642 -17.519 862 1HB ASP 115 HB2 ASP 115 18.485 19.285 -17.978 863 2HB ASP 115 HB3 ASP 115 16.856 18.957 -18.580 864 H TYR 116 H TYR 116 16.965 22.348 -19.712 865 HA TYR 116 HA TYR 116 14.706 23.891 -19.289 866 1HB TYR 116 HB2 TYR 116 16.467 24.407 -20.887 867 2HB TYR 116 HB3 TYR 116 16.051 23.012 -21.871 868 HD1 TYR 116 HD1 TYR 116 14.947 26.401 -20.801 869 HD2 TYR 116 HD2 TYR 116 14.205 23.072 -23.445 870 HE1 TYR 116 HE1 TYR 116 13.384 27.799 -22.120 871 HE2 TYR 116 HE2 TYR 116 12.636 24.454 -24.762 872 HH TYR 116 HH TYR 116 11.629 26.545 -24.999 873 H GLU 117 H GLU 117 14.856 20.884 -21.321 874 HA GLU 117 HA GLU 117 12.169 20.138 -20.699 875 1HB GLU 117 HB2 GLU 117 11.745 21.945 -22.403 876 2HB GLU 117 HB3 GLU 117 12.736 21.064 -23.565 877 1HG GLU 117 HG2 GLU 117 11.120 19.239 -23.610 878 2HG GLU 117 HG3 GLU 117 10.235 19.954 -22.253 879 H VAL 118 H VAL 118 11.763 17.973 -21.806 880 HA VAL 118 HA VAL 118 14.149 16.726 -22.953 881 HB VAL 118 HB VAL 118 13.875 14.749 -21.450 882 1HG1 VAL 118 HG11 VAL 118 14.567 17.212 -19.818 883 2HG1 VAL 118 HG12 VAL 118 15.283 15.579 -19.755 884 3HG1 VAL 118 HG13 VAL 118 15.574 16.629 -21.146 885 1HG2 VAL 118 HG21 VAL 118 11.553 15.260 -20.629 886 2HG2 VAL 118 HG22 VAL 118 12.717 14.875 -19.361 887 3HG2 VAL 118 HG23 VAL 118 12.243 16.564 -19.638 888 H THR 119 H THR 119 13.583 14.377 -23.578 889 HA THR 119 HA THR 119 10.852 14.171 -24.700 890 HB THR 119 HB THR 119 12.083 13.593 -26.916 891 HG1 THR 119 HG1 THR 119 14.089 15.076 -25.542 892 1HG2 THR 119 HG21 THR 119 10.694 15.600 -26.662 893 2HG2 THR 119 HG22 THR 119 12.084 16.502 -26.018 894 3HG2 THR 119 HG23 THR 119 12.107 15.895 -27.691 895 H TRP 120 H TRP 120 10.621 11.922 -25.763 896 HA TRP 120 HA TRP 120 12.620 9.998 -24.923 897 1HB TRP 120 HB2 TRP 120 11.161 8.473 -23.800 898 2HB TRP 120 HB3 TRP 120 11.061 10.000 -22.966 899 HD1 TRP 120 HD1 TRP 120 8.713 11.453 -23.900 900 HE1 TRP 120 HE1 TRP 120 6.327 10.536 -23.835 901 HE3 TRP 120 HE3 TRP 120 9.784 6.474 -24.255 902 HZ2 TRP 120 HZ2 TRP 120 5.035 7.940 -23.956 903 HZ3 TRP 120 HZ3 TRP 120 7.965 4.794 -24.221 904 HH2 TRP 120 HH2 TRP 120 5.589 5.512 -24.081 905 H ALA 121 H ALA 121 12.032 7.787 -25.751 906 HA ALA 121 HA ALA 121 10.070 7.692 -27.869 907 1HB ALA 121 HB1 ALA 121 12.098 8.383 -29.151 908 2HB ALA 121 HB2 ALA 121 13.028 7.057 -28.411 909 3HB ALA 121 HB3 ALA 121 11.687 6.696 -29.517 910 H ASN 122 H ASN 122 9.361 5.533 -28.122 911 HA ASN 122 HA ASN 122 9.892 3.861 -25.784 912 1HB ASN 122 HB2 ASN 122 7.591 4.462 -26.613 913 2HB ASN 122 HB3 ASN 122 7.900 3.485 -28.050 914 1HD2 ASN 122 HD22 ASN 122 6.331 1.841 -27.641 915 2HD2 ASN 122 HD21 ASN 122 6.408 0.785 -26.257 916 H ASP 123 H ASP 123 12.130 3.957 -27.535 917 HA ASP 123 HA ASP 123 12.585 1.169 -28.091 918 1HB ASP 123 HB2 ASP 123 11.458 2.236 -30.248 919 2HB ASP 123 HB3 ASP 123 13.037 2.990 -30.465 920 H GLY 124 H GLY 124 15.041 1.276 -29.254 921 1HA GLY 124 HA2 GLY 124 16.975 2.951 -29.136 922 2HA GLY 124 HA3 GLY 124 16.609 3.029 -27.412 923 H TYR 125 H TYR 125 18.673 2.234 -26.862 924 HA TYR 125 HA TYR 125 18.903 -0.645 -26.772 925 1HB TYR 125 HB2 TYR 125 21.180 -0.705 -27.610 926 2HB TYR 125 HB3 TYR 125 20.100 -0.156 -28.874 927 HD1 TYR 125 HD1 TYR 125 22.958 0.697 -26.753 928 HD2 TYR 125 HD2 TYR 125 20.116 2.263 -29.593 929 HE1 TYR 125 HE1 TYR 125 24.393 2.690 -27.079 930 HE2 TYR 125 HE2 TYR 125 21.546 4.251 -29.943 931 HH TYR 125 HH TYR 125 23.529 5.336 -29.356
Contact the webmaster for help, if required. Monday, June 3, 2024 4:32:29 AM GMT (wattos1)