NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5983 | 1ib7 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H VAL 4 HN VAL 4 2.595 -1.050 -8.114 2 HA VAL 4 HA VAL 4 4.150 1.151 -7.170 3 HB VAL 4 HB VAL 4 4.445 -0.518 -9.191 4 1HG1 VAL 4 1HG1 VAL 4 3.088 1.824 -10.564 5 2HG1 VAL 4 2HG1 VAL 4 3.764 0.365 -11.325 6 3HG1 VAL 4 3HG1 VAL 4 2.322 0.241 -10.289 7 1HG2 VAL 4 1HG2 VAL 4 5.330 2.125 -10.087 8 2HG2 VAL 4 2HG2 VAL 4 5.660 1.833 -8.362 9 3HG2 VAL 4 3HG2 VAL 4 6.281 0.705 -9.592 10 H LYS 5 HN LYS 5 3.893 3.355 -8.403 11 HA LYS 5 HA LYS 5 1.031 4.018 -8.340 12 1HB LYS 5 2HB LYS 5 2.709 4.918 -6.530 13 2HB LYS 5 3HB LYS 5 3.197 6.028 -7.793 14 1HG LYS 5 2HG LYS 5 1.422 7.075 -6.478 15 2HG LYS 5 3HG LYS 5 0.805 6.736 -8.083 16 1HD LYS 5 2HD LYS 5 0.432 4.540 -6.087 17 2HD LYS 5 3HD LYS 5 -0.470 6.006 -5.759 18 1HE LYS 5 2HE LYS 5 -0.579 5.173 -8.606 19 2HE LYS 5 3HE LYS 5 -1.261 3.989 -7.509 20 1HZ LYS 5 1HZ LYS 5 -2.832 5.695 -8.262 21 2HZ LYS 5 2HZ LYS 5 -2.704 5.629 -6.636 22 3HZ LYS 5 3HZ LYS 5 -1.979 6.835 -7.464 23 H TYR 6 HN TYR 6 0.176 4.552 -10.271 24 HA TYR 6 HA TYR 6 2.049 5.279 -12.400 25 1HB TYR 6 2HB TYR 6 -0.919 4.447 -12.293 26 2HB TYR 6 3HB TYR 6 -0.030 4.701 -13.782 27 HD1 TYR 6 HD1 TYR 6 2.441 3.319 -13.556 28 HD2 TYR 6 HD2 TYR 6 -1.353 2.204 -11.924 29 HE1 TYR 6 HE1 TYR 6 3.157 0.879 -13.539 30 HE2 TYR 6 HE2 TYR 6 -0.625 -0.231 -11.913 31 HH TYR 6 HH TYR 6 1.490 -1.475 -11.825 32 H TYR 7 HN TYR 7 2.331 7.423 -12.747 33 HA TYR 7 HA TYR 7 0.088 9.197 -12.100 34 1HB TYR 7 2HB TYR 7 2.993 9.847 -12.855 35 2HB TYR 7 3HB TYR 7 1.890 10.871 -11.957 36 HD1 TYR 7 HD1 TYR 7 4.706 8.902 -11.621 37 HD2 TYR 7 HD2 TYR 7 0.936 9.585 -9.715 38 HE1 TYR 7 HE1 TYR 7 5.640 8.003 -9.435 39 HE2 TYR 7 HE2 TYR 7 1.884 8.684 -7.535 40 HH TYR 7 HH TYR 7 3.632 7.948 -6.502 41 H THR 8 HN THR 8 -0.615 10.813 -13.601 42 HA THR 8 HA THR 8 -0.444 9.938 -16.331 43 HB THR 8 HB THR 8 -1.699 12.549 -15.490 44 HG1 THR 8 HG1 THR 8 -3.445 11.060 -14.598 45 1HG2 THR 8 1HG2 THR 8 -2.762 10.091 -16.981 46 2HG2 THR 8 2HG2 THR 8 -3.586 11.660 -16.819 47 3HG2 THR 8 3HG2 THR 8 -2.090 11.535 -17.776 48 H LEU 9 HN LEU 9 0.426 11.031 -18.116 49 HA LEU 9 HA LEU 9 2.909 12.150 -17.720 50 1HB LEU 9 2HB LEU 9 3.024 12.297 -19.977 51 2HB LEU 9 3HB LEU 9 1.723 11.135 -19.804 52 HG LEU 9 HG LEU 9 1.318 14.099 -20.290 53 1HD1 LEU 9 1HD1 LEU 9 2.021 11.956 -22.114 54 2HD1 LEU 9 2HD1 LEU 9 0.448 12.679 -22.530 55 3HD1 LEU 9 3HD1 LEU 9 1.894 13.709 -22.400 56 1HD2 LEU 9 1HD2 LEU 9 -0.552 13.046 -19.121 57 2HD2 LEU 9 2HD2 LEU 9 -0.998 13.490 -20.785 58 3HD2 LEU 9 3HD2 LEU 9 -0.646 11.793 -20.380 59 H GLU 10 HN GLU 10 -0.240 13.534 -17.258 60 HA GLU 10 HA GLU 10 0.410 16.185 -17.841 61 1HB GLU 10 2HB GLU 10 -1.855 14.715 -16.912 62 2HB GLU 10 3HB GLU 10 -1.580 15.985 -15.736 63 1HG GLU 10 2HG GLU 10 -1.481 16.674 -18.682 64 2HG GLU 10 3HG GLU 10 -3.041 16.450 -17.917 65 H GLU 11 HN GLU 11 0.950 14.077 -15.036 66 HA GLU 11 HA GLU 11 1.343 16.055 -13.143 67 1HB GLU 11 2HB GLU 11 1.531 13.222 -13.299 68 2HB GLU 11 3HB GLU 11 3.092 13.763 -12.713 69 1HG GLU 11 2HG GLU 11 2.173 14.017 -10.657 70 2HG GLU 11 3HG GLU 11 1.218 15.341 -11.293 71 H ILE 12 HN ILE 12 4.003 14.010 -14.540 72 HA ILE 12 HA ILE 12 6.142 15.369 -13.858 73 HB ILE 12 HB ILE 12 6.762 14.905 -16.474 74 1HG1 ILE 12 2HG1 ILE 12 4.188 14.158 -16.522 75 2HG1 ILE 12 3HG1 ILE 12 5.426 13.399 -17.503 76 1HG2 ILE 12 1HG2 ILE 12 6.761 13.225 -13.991 77 2HG2 ILE 12 2HG2 ILE 12 7.270 12.511 -15.539 78 3HG2 ILE 12 3HG2 ILE 12 8.122 13.934 -14.893 79 1HD1 ILE 12 1HD1 ILE 12 5.029 12.326 -14.721 80 2HD1 ILE 12 2HD1 ILE 12 3.787 11.956 -15.941 81 3HD1 ILE 12 3HD1 ILE 12 5.477 11.467 -16.213 82 H GLN 13 HN GLN 13 3.897 16.387 -16.495 83 HA GLN 13 HA GLN 13 5.351 18.524 -17.382 84 1HB GLN 13 2HB GLN 13 2.347 18.064 -17.228 85 2HB GLN 13 3HB GLN 13 3.039 19.453 -18.041 86 1HG GLN 13 2HG GLN 13 4.448 17.072 -18.914 87 2HG GLN 13 3HG GLN 13 2.726 16.789 -19.061 88 1HE2 GLN 13 1HE2 GLN 13 3.373 16.728 -21.356 89 2HE2 GLN 13 2HE2 GLN 13 3.367 18.198 -22.270 90 H LYS 14 HN LYS 14 2.406 18.863 -15.273 91 HA LYS 14 HA LYS 14 2.943 21.441 -14.482 92 1HB LYS 14 2HB LYS 14 1.365 20.969 -12.626 93 2HB LYS 14 3HB LYS 14 0.772 20.458 -14.194 94 1HG LYS 14 2HG LYS 14 1.659 18.114 -13.666 95 2HG LYS 14 3HG LYS 14 2.000 18.677 -12.042 96 1HD LYS 14 2HD LYS 14 -0.164 17.651 -11.920 97 2HD LYS 14 3HD LYS 14 -0.462 19.378 -11.870 98 1HE LYS 14 2HE LYS 14 -0.417 18.667 -14.640 99 2HE LYS 14 3HE LYS 14 -1.361 17.427 -13.839 100 1HZ LYS 14 1HZ LYS 14 -2.449 19.629 -14.565 101 2HZ LYS 14 2HZ LYS 14 -2.889 18.942 -13.151 102 3HZ LYS 14 3HZ LYS 14 -1.857 20.208 -13.158 103 H HIS 15 HN HIS 15 4.506 18.450 -13.577 104 HA HIS 15 HA HIS 15 5.667 19.716 -11.228 105 1HB HIS 15 2HB HIS 15 5.820 16.864 -12.245 106 2HB HIS 15 3HB HIS 15 6.586 17.450 -10.782 107 HD1 HIS 15 HD1 HIS 15 4.452 18.986 -9.342 108 HD2 HIS 15 HD2 HIS 15 3.615 15.470 -11.472 109 HE1 HIS 15 HE1 HIS 15 2.279 18.063 -8.373 110 H LYS 16 HN LYS 16 6.394 21.029 -13.542 111 HA LYS 16 HA LYS 16 9.076 19.969 -14.096 112 1HB LYS 16 2HB LYS 16 7.417 20.198 -16.011 113 2HB LYS 16 3HB LYS 16 7.515 21.933 -15.789 114 1HG LYS 16 2HG LYS 16 10.183 20.677 -15.872 115 2HG LYS 16 3HG LYS 16 9.260 20.356 -17.326 116 1HD LYS 16 2HD LYS 16 8.720 23.024 -17.019 117 2HD LYS 16 3HD LYS 16 10.305 22.958 -16.273 118 1HE LYS 16 2HE LYS 16 11.084 21.666 -18.382 119 2HE LYS 16 3HE LYS 16 9.559 22.129 -19.110 120 1HZ LYS 16 1HZ LYS 16 10.114 24.387 -18.877 121 2HZ LYS 16 2HZ LYS 16 11.411 24.078 -17.935 122 3HZ LYS 16 3HZ LYS 16 11.432 23.665 -19.515 123 H ASP 17 HN ASP 17 8.082 21.539 -11.702 124 HA ASP 17 HA ASP 17 9.769 23.877 -12.144 125 1HB ASP 17 2HB ASP 17 7.128 23.526 -10.875 126 2HB ASP 17 3HB ASP 17 8.261 24.334 -9.810 127 H SER 18 HN SER 18 10.725 24.650 -9.864 128 HA SER 18 HA SER 18 12.306 22.622 -8.902 129 1HB SER 18 2HB SER 18 11.709 25.442 -8.169 130 2HB SER 18 3HB SER 18 12.337 24.471 -6.852 131 HG SER 18 HG SER 18 14.075 23.804 -8.442 132 H LYS 19 HN LYS 19 9.269 24.087 -7.588 133 HA LYS 19 HA LYS 19 9.132 22.939 -5.149 134 1HB LYS 19 2HB LYS 19 7.223 23.945 -7.136 135 2HB LYS 19 3HB LYS 19 6.530 22.727 -6.083 136 1HG LYS 19 2HG LYS 19 8.195 24.975 -4.906 137 2HG LYS 19 3HG LYS 19 6.519 25.259 -5.329 138 1HD LYS 19 2HD LYS 19 5.876 24.303 -3.381 139 2HD LYS 19 3HD LYS 19 6.554 22.779 -3.916 140 1HE LYS 19 2HE LYS 19 8.712 23.279 -2.926 141 2HE LYS 19 3HE LYS 19 8.275 24.955 -2.652 142 1HZ LYS 19 1HZ LYS 19 6.431 23.183 -1.446 143 2HZ LYS 19 2HZ LYS 19 7.949 22.916 -0.904 144 3HZ LYS 19 3HZ LYS 19 7.285 24.402 -0.774 145 H SER 20 HN SER 20 8.087 21.413 -8.274 146 HA SER 20 HA SER 20 8.601 18.865 -6.977 147 1HB SER 20 2HB SER 20 6.051 19.792 -8.280 148 2HB SER 20 3HB SER 20 6.521 18.120 -8.518 149 HG SER 20 HG SER 20 5.132 18.551 -6.605 150 H THR 21 HN THR 21 10.507 18.460 -8.145 151 HA THR 21 HA THR 21 10.356 18.724 -11.061 152 HB THR 21 HB THR 21 12.562 18.647 -8.973 153 HG1 THR 21 HG1 THR 21 12.866 20.679 -9.967 154 1HG2 THR 21 1HG2 THR 21 13.642 18.940 -11.623 155 2HG2 THR 21 2HG2 THR 21 14.036 17.683 -10.426 156 3HG2 THR 21 3HG2 THR 21 12.720 17.417 -11.597 157 H TRP 22 HN TRP 22 9.672 17.004 -12.163 158 HA TRP 22 HA TRP 22 10.480 14.377 -11.116 159 1HB TRP 22 2HB TRP 22 7.895 15.368 -12.215 160 2HB TRP 22 3HB TRP 22 8.378 13.731 -12.615 161 HD1 TRP 22 HD1 TRP 22 9.445 14.854 -9.147 162 HE1 TRP 22 HE1 TRP 22 8.016 13.707 -7.249 163 HE3 TRP 22 HE3 TRP 22 5.941 12.875 -12.255 164 HZ2 TRP 22 HZ2 TRP 22 5.634 12.136 -7.260 165 HZ3 TRP 22 HZ3 TRP 22 4.096 11.547 -11.231 166 HH2 TRP 22 HH2 TRP 22 3.910 11.165 -8.824 167 H VAL 23 HN VAL 23 10.907 12.745 -12.851 168 HA VAL 23 HA VAL 23 11.256 13.760 -15.520 169 HB VAL 23 HB VAL 23 13.267 14.611 -14.557 170 1HG1 VAL 23 1HG1 VAL 23 14.059 11.854 -13.604 171 2HG1 VAL 23 2HG1 VAL 23 14.774 13.431 -13.188 172 3HG1 VAL 23 3HG1 VAL 23 13.167 12.989 -12.563 173 1HG2 VAL 23 1HG2 VAL 23 14.782 12.486 -15.663 174 2HG2 VAL 23 2HG2 VAL 23 13.251 12.552 -16.568 175 3HG2 VAL 23 3HG2 VAL 23 14.278 14.002 -16.449 176 H ILE 24 HN ILE 24 10.637 12.143 -16.856 177 HA ILE 24 HA ILE 24 10.114 9.574 -15.797 178 HB ILE 24 HB ILE 24 10.129 10.596 -18.639 179 1HG1 ILE 24 2HG1 ILE 24 7.653 10.146 -17.009 180 2HG1 ILE 24 3HG1 ILE 24 8.581 11.609 -16.747 181 1HG2 ILE 24 1HG2 ILE 24 10.291 8.057 -18.240 182 2HG2 ILE 24 2HG2 ILE 24 8.621 8.188 -17.642 183 3HG2 ILE 24 3HG2 ILE 24 9.008 8.667 -19.312 184 1HD1 ILE 24 1HD1 ILE 24 8.303 11.111 -19.609 185 2HD1 ILE 24 2HD1 ILE 24 6.709 11.130 -18.816 186 3HD1 ILE 24 3HD1 ILE 24 7.797 12.530 -18.661 187 H LEU 25 HN LEU 25 11.611 8.066 -15.318 188 HA LEU 25 HA LEU 25 13.907 7.877 -17.141 189 1HB LEU 25 2HB LEU 25 13.833 8.343 -14.266 190 2HB LEU 25 3HB LEU 25 14.771 6.922 -14.682 191 HG LEU 25 HG LEU 25 16.270 8.180 -16.046 192 1HD1 LEU 25 1HD1 LEU 25 15.833 10.796 -16.072 193 2HD1 LEU 25 2HD1 LEU 25 15.139 9.712 -17.302 194 3HD1 LEU 25 3HD1 LEU 25 14.139 10.268 -15.939 195 1HD2 LEU 25 1HD2 LEU 25 15.709 9.765 -13.523 196 2HD2 LEU 25 2HD2 LEU 25 16.672 8.271 -13.628 197 3HD2 LEU 25 3HD2 LEU 25 17.230 9.750 -14.448 198 H HIS 26 HN HIS 26 13.901 5.984 -18.214 199 HA HIS 26 HA HIS 26 13.158 3.972 -18.810 200 1HB HIS 26 2HB HIS 26 14.092 3.137 -16.061 201 2HB HIS 26 3HB HIS 26 14.145 2.212 -17.549 202 HD1 HIS 26 HD1 HIS 26 16.311 4.049 -15.403 203 HD2 HIS 26 HD2 HIS 26 15.927 3.721 -19.568 204 HE1 HIS 26 HE1 HIS 26 18.535 4.819 -16.389 205 H HIS 27 HN HIS 27 10.878 5.103 -18.486 206 HA HIS 27 HA HIS 27 8.785 4.984 -17.815 207 1HB HIS 27 2HB HIS 27 7.822 2.737 -17.633 208 2HB HIS 27 3HB HIS 27 8.904 2.887 -19.004 209 HD1 HIS 27 HD1 HIS 27 8.552 1.170 -15.673 210 HD2 HIS 27 HD2 HIS 27 11.263 1.324 -18.869 211 HE1 HIS 27 HE1 HIS 27 10.181 -0.762 -15.321 212 H LYS 28 HN LYS 28 10.228 6.104 -15.839 213 HA LYS 28 HA LYS 28 8.720 5.485 -13.550 214 1HB LYS 28 2HB LYS 28 10.933 3.797 -13.859 215 2HB LYS 28 3HB LYS 28 11.464 5.003 -12.705 216 1HG LYS 28 2HG LYS 28 10.302 3.885 -11.110 217 2HG LYS 28 3HG LYS 28 8.826 4.408 -11.897 218 1HD LYS 28 2HD LYS 28 8.400 2.186 -12.194 219 2HD LYS 28 3HD LYS 28 9.563 2.273 -13.502 220 1HE LYS 28 2HE LYS 28 11.392 1.773 -11.755 221 2HE LYS 28 3HE LYS 28 10.102 1.434 -10.618 222 1HZ LYS 28 1HZ LYS 28 11.001 -0.484 -11.928 223 2HZ LYS 28 2HZ LYS 28 9.374 -0.337 -11.911 224 3HZ LYS 28 3HZ LYS 28 10.221 0.117 -13.231 225 H VAL 29 HN VAL 29 8.308 7.526 -12.907 226 HA VAL 29 HA VAL 29 10.065 9.647 -13.589 227 HB VAL 29 HB VAL 29 8.450 11.041 -12.518 228 1HG1 VAL 29 1HG1 VAL 29 6.517 9.059 -13.547 229 2HG1 VAL 29 2HG1 VAL 29 6.843 10.729 -14.070 230 3HG1 VAL 29 3HG1 VAL 29 7.886 9.401 -14.633 231 1HG2 VAL 29 1HG2 VAL 29 6.872 8.705 -11.476 232 2HG2 VAL 29 2HG2 VAL 29 8.241 9.335 -10.529 233 3HG2 VAL 29 3HG2 VAL 29 6.879 10.403 -10.944 234 H TYR 30 HN TYR 30 11.467 10.857 -12.277 235 HA TYR 30 HA TYR 30 12.042 9.602 -9.676 236 1HB TYR 30 2HB TYR 30 13.649 10.768 -11.990 237 2HB TYR 30 3HB TYR 30 14.335 10.906 -10.383 238 HD1 TYR 30 HD1 TYR 30 12.343 7.965 -10.627 239 HD2 TYR 30 HD2 TYR 30 16.191 9.547 -11.625 240 HE1 TYR 30 HE1 TYR 30 13.271 5.606 -10.820 241 HE2 TYR 30 HE2 TYR 30 17.106 7.183 -11.815 242 HH TYR 30 HH TYR 30 14.986 4.415 -11.693 243 H ASP 31 HN ASP 31 11.250 10.873 -8.067 244 HA ASP 31 HA ASP 31 10.894 13.649 -8.515 245 1HB ASP 31 2HB ASP 31 9.353 12.299 -7.098 246 2HB ASP 31 3HB ASP 31 10.662 11.950 -5.986 247 H LEU 32 HN LEU 32 13.258 14.139 -8.954 248 HA LEU 32 HA LEU 32 14.979 13.935 -6.614 249 1HB LEU 32 2HB LEU 32 16.782 14.339 -8.068 250 2HB LEU 32 3HB LEU 32 15.739 13.169 -8.850 251 HG LEU 32 HG LEU 32 14.969 15.803 -9.706 252 1HD1 LEU 32 1HD1 LEU 32 17.703 15.417 -10.718 253 2HD1 LEU 32 2HD1 LEU 32 16.842 16.903 -10.250 254 3HD1 LEU 32 3HD1 LEU 32 17.609 15.888 -9.004 255 1HD2 LEU 32 1HD2 LEU 32 16.004 13.284 -10.974 256 2HD2 LEU 32 2HD2 LEU 32 14.409 14.060 -11.118 257 3HD2 LEU 32 3HD2 LEU 32 15.820 14.768 -11.939 258 H THR 33 HN THR 33 12.734 15.645 -6.310 259 HA THR 33 HA THR 33 13.295 18.311 -6.994 260 HB THR 33 HB THR 33 11.624 17.054 -4.754 261 HG1 THR 33 HG1 THR 33 11.323 16.624 -7.196 262 1HG2 THR 33 1HG2 THR 33 10.818 19.617 -6.051 263 2HG2 THR 33 2HG2 THR 33 10.692 19.127 -4.344 264 3HG2 THR 33 3HG2 THR 33 12.234 19.747 -4.980 265 H LYS 34 HN LYS 34 13.966 16.428 -3.978 266 HA LYS 34 HA LYS 34 15.204 18.620 -2.704 267 1HB LYS 34 2HB LYS 34 15.738 15.729 -2.041 268 2HB LYS 34 3HB LYS 34 15.685 17.114 -0.968 269 1HG LYS 34 2HG LYS 34 13.495 16.701 -0.566 270 2HG LYS 34 3HG LYS 34 13.136 17.029 -2.249 271 1HD LYS 34 2HD LYS 34 14.224 14.437 -2.310 272 2HD LYS 34 3HD LYS 34 13.277 14.443 -0.835 273 1HE LYS 34 2HE LYS 34 11.286 15.258 -2.101 274 2HE LYS 34 3HE LYS 34 12.228 15.295 -3.578 275 1HZ LYS 34 1HZ LYS 34 12.219 13.062 -3.719 276 2HZ LYS 34 2HZ LYS 34 12.198 12.808 -2.105 277 3HZ LYS 34 3HZ LYS 34 10.824 13.223 -2.883 278 H TYR 35 HN TYR 35 16.378 15.885 -4.728 279 HA TYR 35 HA TYR 35 19.106 16.832 -4.448 280 1HB TYR 35 2HB TYR 35 18.450 14.388 -4.450 281 2HB TYR 35 3HB TYR 35 17.676 14.591 -6.010 282 HD1 TYR 35 HD1 TYR 35 18.907 14.369 -8.024 283 HD2 TYR 35 HD2 TYR 35 20.983 14.685 -4.297 284 HE1 TYR 35 HE1 TYR 35 21.089 13.757 -9.179 285 HE2 TYR 35 HE2 TYR 35 23.157 14.073 -5.464 286 HH TYR 35 HH TYR 35 23.658 12.652 -7.704 287 H LEU 36 HN LEU 36 16.852 18.405 -5.862 288 HA LEU 36 HA LEU 36 17.550 18.291 -8.626 289 1HB LEU 36 2HB LEU 36 15.326 18.868 -8.018 290 2HB LEU 36 3HB LEU 36 15.868 20.152 -6.956 291 HG LEU 36 HG LEU 36 14.882 20.943 -9.095 292 1HD1 LEU 36 1HD1 LEU 36 17.061 21.924 -7.720 293 2HD1 LEU 36 2HD1 LEU 36 17.614 21.939 -9.412 294 3HD1 LEU 36 3HD1 LEU 36 16.121 22.793 -8.956 295 1HD2 LEU 36 1HD2 LEU 36 17.158 19.361 -10.250 296 2HD2 LEU 36 2HD2 LEU 36 15.451 19.436 -10.752 297 3HD2 LEU 36 3HD2 LEU 36 16.541 20.801 -11.098 298 H GLU 37 HN GLU 37 18.175 20.592 -5.894 299 HA GLU 37 HA GLU 37 20.019 22.006 -7.582 300 1HB GLU 37 2HB GLU 37 20.191 23.583 -5.709 301 2HB GLU 37 3HB GLU 37 18.506 23.244 -6.049 302 1HG GLU 37 2HG GLU 37 18.463 21.568 -4.193 303 2HG GLU 37 3HG GLU 37 20.152 21.894 -3.856 304 H GLU 38 HN GLU 38 20.077 19.230 -5.636 305 HA GLU 38 HA GLU 38 22.703 19.683 -4.586 306 1HB GLU 38 2HB GLU 38 20.539 18.084 -3.844 307 2HB GLU 38 3HB GLU 38 21.667 16.917 -4.505 308 1HG GLU 38 2HG GLU 38 22.734 16.984 -2.499 309 2HG GLU 38 3HG GLU 38 23.322 18.568 -2.965 310 H HIS 39 HN HIS 39 21.199 18.376 -7.463 311 HA HIS 39 HA HIS 39 22.953 16.448 -8.249 312 1HB HIS 39 2HB HIS 39 20.796 17.296 -9.343 313 2HB HIS 39 3HB HIS 39 21.789 18.508 -10.128 314 HD1 HIS 39 HD1 HIS 39 21.795 17.700 -12.518 315 HD2 HIS 39 HD2 HIS 39 22.751 14.661 -9.789 316 HE1 HIS 39 HE1 HIS 39 22.493 15.680 -13.913 317 HA PRO 40 HA PRO 40 26.666 18.682 -8.680 318 1HB PRO 40 2HB PRO 40 28.251 16.623 -9.526 319 2HB PRO 40 3HB PRO 40 27.903 16.934 -7.837 320 1HG PRO 40 2HG PRO 40 26.815 14.820 -9.595 321 2HG PRO 40 3HG PRO 40 26.822 14.896 -7.844 322 1HD PRO 40 2HD PRO 40 24.594 15.409 -9.576 323 2HD PRO 40 3HD PRO 40 24.632 15.597 -7.835 324 H GLY 41 HN GLY 41 25.228 16.833 -11.223 325 1HA GLY 41 1HA GLY 41 26.894 17.748 -13.311 326 2HA GLY 41 2HA GLY 41 25.283 17.074 -13.459 327 H GLY 42 HN GLY 42 23.428 18.640 -12.669 328 1HA GLY 42 1HA GLY 42 23.891 21.435 -12.738 329 2HA GLY 42 2HA GLY 42 23.392 20.870 -14.321 330 H GLU 43 HN GLU 43 21.952 22.602 -12.319 331 HA GLU 43 HA GLU 43 19.835 20.900 -11.407 332 1HB GLU 43 2HB GLU 43 18.902 23.036 -10.475 333 2HB GLU 43 3HB GLU 43 20.536 22.703 -9.937 334 1HG GLU 43 2HG GLU 43 20.804 24.176 -12.368 335 2HG GLU 43 3HG GLU 43 19.538 24.980 -11.461 336 H GLU 44 HN GLU 44 20.661 22.728 -14.233 337 HA GLU 44 HA GLU 44 17.932 23.202 -14.965 338 1HB GLU 44 2HB GLU 44 19.766 24.807 -15.544 339 2HB GLU 44 3HB GLU 44 20.503 23.586 -16.562 340 1HG GLU 44 2HG GLU 44 18.896 23.786 -18.222 341 2HG GLU 44 3HG GLU 44 17.606 24.131 -17.086 342 H VAL 45 HN VAL 45 20.727 21.236 -16.209 343 HA VAL 45 HA VAL 45 19.612 19.980 -18.292 344 HB VAL 45 HB VAL 45 21.781 19.404 -17.914 345 1HG1 VAL 45 1HG1 VAL 45 22.415 18.365 -15.548 346 2HG1 VAL 45 2HG1 VAL 45 22.362 20.124 -15.815 347 3HG1 VAL 45 3HG1 VAL 45 20.993 19.302 -15.029 348 1HG2 VAL 45 1HG2 VAL 45 20.755 16.957 -16.519 349 2HG2 VAL 45 2HG2 VAL 45 20.141 17.339 -18.146 350 3HG2 VAL 45 3HG2 VAL 45 21.886 17.106 -17.885 351 H LEU 46 HN LEU 46 18.719 19.635 -14.885 352 HA LEU 46 HA LEU 46 17.136 17.278 -15.421 353 1HB LEU 46 2HB LEU 46 17.056 18.858 -12.879 354 2HB LEU 46 3HB LEU 46 16.818 17.141 -13.131 355 HG LEU 46 HG LEU 46 19.514 18.330 -13.694 356 1HD1 LEU 46 1HD1 LEU 46 18.655 17.503 -10.914 357 2HD1 LEU 46 2HD1 LEU 46 20.211 18.200 -11.422 358 3HD1 LEU 46 3HD1 LEU 46 18.736 19.194 -11.464 359 1HD2 LEU 46 1HD2 LEU 46 18.344 15.654 -13.212 360 2HD2 LEU 46 2HD2 LEU 46 19.713 16.150 -14.235 361 3HD2 LEU 46 3HD2 LEU 46 19.940 15.952 -12.481 362 H ARG 47 HN ARG 47 16.474 20.627 -14.158 363 HA ARG 47 HA ARG 47 13.762 20.432 -14.397 364 1HB ARG 47 2HB ARG 47 15.624 22.847 -14.590 365 2HB ARG 47 3HB ARG 47 13.880 23.012 -14.529 366 1HG ARG 47 2HG ARG 47 14.203 21.366 -12.393 367 2HG ARG 47 3HG ARG 47 15.783 22.125 -12.377 368 1HD ARG 47 2HD ARG 47 13.269 23.821 -12.601 369 2HD ARG 47 3HD ARG 47 13.817 23.252 -11.036 370 HE ARG 47 HE ARG 47 16.117 24.332 -12.073 371 1HH1 ARG 47 1HH1 ARG 47 15.594 27.766 -11.740 372 2HH1 ARG 47 2HH1 ARG 47 16.778 26.513 -11.912 373 1HH2 ARG 47 1HH2 ARG 47 13.337 27.228 -11.671 374 2HH2 ARG 47 2HH2 ARG 47 12.836 25.575 -11.793 375 H GLU 48 HN GLU 48 16.135 21.992 -16.685 376 HA GLU 48 HA GLU 48 14.617 22.905 -18.599 377 1HB GLU 48 2HB GLU 48 17.138 22.710 -18.612 378 2HB GLU 48 3HB GLU 48 16.975 21.056 -19.165 379 1HG GLU 48 2HG GLU 48 17.217 22.173 -21.205 380 2HG GLU 48 3HG GLU 48 15.471 22.112 -21.073 381 H GLN 49 HN GLN 49 15.293 19.390 -18.102 382 HA GLN 49 HA GLN 49 12.986 18.885 -19.807 383 1HB GLN 49 2HB GLN 49 14.140 16.824 -20.648 384 2HB GLN 49 3HB GLN 49 14.943 18.306 -21.131 385 1HG GLN 49 2HG GLN 49 16.437 18.003 -19.029 386 2HG GLN 49 3HG GLN 49 15.772 16.385 -18.917 387 1HE2 GLN 49 1HE2 GLN 49 18.441 17.754 -19.698 388 2HE2 GLN 49 2HE2 GLN 49 18.965 16.894 -21.107 389 H ALA 50 HN ALA 50 12.622 19.197 -17.117 390 HA ALA 50 HA ALA 50 13.050 16.815 -15.644 391 1HB ALA 50 1HB ALA 50 12.814 18.624 -14.246 392 2HB ALA 50 2HB ALA 50 11.629 19.426 -15.303 393 3HB ALA 50 3HB ALA 50 11.121 18.078 -14.258 394 H GLY 51 HN GLY 51 9.767 18.180 -15.894 395 1HA GLY 51 1HA GLY 51 8.353 15.893 -15.812 396 2HA GLY 51 2HA GLY 51 7.836 17.314 -16.697 397 H GLY 52 HN GLY 52 10.102 17.223 -18.646 398 1HA GLY 52 1HA GLY 52 8.911 15.700 -20.657 399 2HA GLY 52 2HA GLY 52 10.531 16.368 -20.677 400 H ASP 53 HN ASP 53 11.677 14.628 -21.544 401 HA ASP 53 HA ASP 53 11.655 12.253 -19.857 402 1HB ASP 53 2HB ASP 53 10.526 11.671 -21.937 403 2HB ASP 53 3HB ASP 53 11.764 12.458 -22.897 404 H ALA 54 HN ALA 54 13.686 12.234 -18.875 405 HA ALA 54 HA ALA 54 15.955 13.164 -20.498 406 1HB ALA 54 1HB ALA 54 15.994 12.995 -17.490 407 2HB ALA 54 2HB ALA 54 16.897 14.079 -18.575 408 3HB ALA 54 3HB ALA 54 15.164 14.357 -18.280 409 H THR 55 HN THR 55 14.509 10.430 -20.232 410 HA THR 55 HA THR 55 15.997 8.650 -18.755 411 HB THR 55 HB THR 55 14.477 8.485 -21.394 412 HG1 THR 55 HG1 THR 55 12.973 8.394 -19.771 413 1HG2 THR 55 1HG2 THR 55 16.361 6.610 -20.905 414 2HG2 THR 55 2HG2 THR 55 15.131 6.035 -19.755 415 3HG2 THR 55 3HG2 THR 55 14.740 6.158 -21.487 416 H GLU 56 HN GLU 56 16.527 9.426 -22.265 417 HA GLU 56 HA GLU 56 18.940 8.028 -22.304 418 1HB GLU 56 2HB GLU 56 17.848 10.194 -24.153 419 2HB GLU 56 3HB GLU 56 19.272 9.234 -24.507 420 1HG GLU 56 2HG GLU 56 17.600 7.192 -23.976 421 2HG GLU 56 3HG GLU 56 16.381 8.378 -24.400 422 H ASN 57 HN ASN 57 18.078 11.476 -21.755 423 HA ASN 57 HA ASN 57 20.675 12.442 -21.877 424 1HB ASN 57 2HB ASN 57 18.024 13.382 -20.856 425 2HB ASN 57 3HB ASN 57 19.404 14.148 -20.097 426 1HD2 ASN 57 1HD2 ASN 57 17.947 13.332 -23.213 427 2HD2 ASN 57 2HD2 ASN 57 18.582 14.662 -24.122 428 H PHE 58 HN PHE 58 19.076 10.374 -19.632 429 HA PHE 58 HA PHE 58 20.756 11.220 -17.401 430 1HB PHE 58 2HB PHE 58 18.297 10.859 -17.059 431 2HB PHE 58 3HB PHE 58 18.413 9.259 -17.764 432 HD1 PHE 58 HD1 PHE 58 18.594 7.442 -16.350 433 HD2 PHE 58 HD2 PHE 58 19.843 11.246 -14.945 434 HE1 PHE 58 HE1 PHE 58 19.002 6.467 -14.073 435 HE2 PHE 58 HE2 PHE 58 20.251 10.271 -12.669 436 HZ PHE 58 HZ PHE 58 19.825 7.893 -12.260 437 H GLU 59 HN GLU 59 20.013 8.428 -19.553 438 HA GLU 59 HA GLU 59 21.917 6.797 -18.195 439 1HB GLU 59 2HB GLU 59 21.280 5.075 -19.782 440 2HB GLU 59 3HB GLU 59 19.823 5.895 -19.257 441 1HG GLU 59 2HG GLU 59 19.343 6.241 -21.449 442 2HG GLU 59 3HG GLU 59 20.646 7.412 -21.473 443 H ASP 60 HN ASP 60 21.795 8.956 -21.005 444 HA ASP 60 HA ASP 60 23.948 7.979 -22.399 445 1HB ASP 60 2HB ASP 60 22.415 9.719 -23.257 446 2HB ASP 60 3HB ASP 60 22.966 10.848 -22.035 447 H VAL 61 HN VAL 61 23.682 10.373 -19.693 448 HA VAL 61 HA VAL 61 26.419 11.056 -19.669 449 HB VAL 61 HB VAL 61 25.905 12.182 -17.632 450 1HG1 VAL 61 1HG1 VAL 61 23.496 13.141 -18.375 451 2HG1 VAL 61 2HG1 VAL 61 25.015 13.566 -19.200 452 3HG1 VAL 61 3HG1 VAL 61 23.957 12.304 -19.877 453 1HG2 VAL 61 1HG2 VAL 61 23.133 11.405 -17.247 454 2HG2 VAL 61 2HG2 VAL 61 24.220 10.002 -17.110 455 3HG2 VAL 61 3HG2 VAL 61 24.479 11.433 -16.083 456 H GLY 62 HN GLY 62 24.659 8.233 -18.704 457 1HA GLY 62 1HA GLY 62 25.308 6.327 -17.705 458 2HA GLY 62 2HA GLY 62 26.968 6.830 -17.955 459 H HIS 63 HN HIS 63 24.152 7.036 -15.742 460 HA HIS 63 HA HIS 63 25.564 8.448 -13.738 461 1HB HIS 63 2HB HIS 63 22.942 6.981 -13.886 462 2HB HIS 63 3HB HIS 63 23.563 7.510 -12.335 463 HD1 HIS 63 HD1 HIS 63 22.857 9.064 -15.776 464 HD2 HIS 63 HD2 HIS 63 22.831 10.063 -11.702 465 HE1 HIS 63 HE1 HIS 63 21.950 11.443 -15.630 466 H SER 64 HN SER 64 26.625 7.691 -11.883 467 HA SER 64 HA SER 64 27.599 5.025 -12.148 468 1HB SER 64 2HB SER 64 28.291 7.465 -10.587 469 2HB SER 64 3HB SER 64 28.633 5.954 -9.768 470 HG SER 64 HG SER 64 30.160 7.117 -11.576 471 H THR 65 HN THR 65 27.796 3.701 -9.944 472 HA THR 65 HA THR 65 25.280 2.866 -9.210 473 HB THR 65 HB THR 65 28.098 2.595 -8.183 474 HG1 THR 65 HG1 THR 65 25.844 0.793 -8.709 475 1HG2 THR 65 1HG2 THR 65 26.574 2.800 -6.104 476 2HG2 THR 65 2HG2 THR 65 25.703 1.377 -6.726 477 3HG2 THR 65 3HG2 THR 65 27.422 1.245 -6.285 478 H ASP 66 HN ASP 66 27.402 5.275 -7.556 479 HA ASP 66 HA ASP 66 26.099 5.687 -5.305 480 1HB ASP 66 2HB ASP 66 28.041 7.024 -6.123 481 2HB ASP 66 3HB ASP 66 26.996 7.870 -7.246 482 H ALA 67 HN ALA 67 25.105 6.775 -8.601 483 HA ALA 67 HA ALA 67 22.890 8.304 -7.727 484 1HB ALA 67 1HB ALA 67 24.158 8.490 -9.923 485 2HB ALA 67 2HB ALA 67 23.329 7.003 -10.439 486 3HB ALA 67 3HB ALA 67 22.384 8.465 -10.071 487 H ARG 68 HN ARG 68 23.320 4.931 -8.966 488 HA ARG 68 HA ARG 68 20.805 4.151 -9.233 489 1HB ARG 68 2HB ARG 68 22.995 2.773 -9.397 490 2HB ARG 68 3HB ARG 68 22.828 2.470 -7.679 491 1HG ARG 68 2HG ARG 68 20.339 1.747 -8.393 492 2HG ARG 68 3HG ARG 68 21.097 1.504 -9.955 493 1HD ARG 68 2HD ARG 68 21.615 -0.571 -9.122 494 2HD ARG 68 3HD ARG 68 22.941 0.264 -8.340 495 HE ARG 68 HE ARG 68 20.913 0.615 -6.524 496 1HH1 ARG 68 1HH1 ARG 68 20.679 -2.512 -4.991 497 2HH1 ARG 68 2HH1 ARG 68 20.345 -0.819 -4.837 498 1HH2 ARG 68 1HH2 ARG 68 21.701 -3.324 -6.910 499 2HH2 ARG 68 2HH2 ARG 68 22.131 -2.237 -8.188 500 H GLU 69 HN GLU 69 22.620 4.443 -6.115 501 HA GLU 69 HA GLU 69 20.587 3.399 -4.532 502 1HB GLU 69 2HB GLU 69 23.190 4.649 -4.173 503 2HB GLU 69 3HB GLU 69 22.067 5.278 -2.983 504 1HG GLU 69 2HG GLU 69 22.336 2.291 -3.523 505 2HG GLU 69 3HG GLU 69 23.353 3.118 -2.359 506 H LEU 70 HN LEU 70 21.504 6.811 -5.359 507 HA LEU 70 HA LEU 70 19.488 8.007 -3.841 508 1HB LEU 70 2HB LEU 70 21.314 8.810 -6.045 509 2HB LEU 70 3HB LEU 70 19.919 9.828 -5.750 510 HG LEU 70 HG LEU 70 20.656 10.495 -3.658 511 1HD1 LEU 70 1HD1 LEU 70 20.988 8.550 -2.444 512 2HD1 LEU 70 2HD1 LEU 70 22.182 7.906 -3.598 513 3HD1 LEU 70 3HD1 LEU 70 22.625 9.248 -2.515 514 1HD2 LEU 70 1HD2 LEU 70 22.728 10.334 -5.721 515 2HD2 LEU 70 2HD2 LEU 70 22.211 11.705 -4.708 516 3HD2 LEU 70 3HD2 LEU 70 23.378 10.519 -4.073 517 H SER 71 HN SER 71 19.609 7.623 -7.456 518 HA SER 71 HA SER 71 17.221 8.388 -8.148 519 1HB SER 71 2HB SER 71 17.191 6.358 -9.785 520 2HB SER 71 3HB SER 71 18.535 7.480 -9.873 521 HG SER 71 HG SER 71 19.733 5.979 -8.445 522 H LYS 72 HN LYS 72 17.862 5.032 -6.891 523 HA LYS 72 HA LYS 72 15.205 4.222 -6.872 524 1HB LYS 72 2HB LYS 72 17.776 3.247 -5.942 525 2HB LYS 72 3HB LYS 72 16.519 2.879 -4.778 526 1HG LYS 72 2HG LYS 72 15.781 2.416 -7.639 527 2HG LYS 72 3HG LYS 72 17.033 1.363 -7.010 528 1HD LYS 72 2HD LYS 72 15.339 0.104 -6.156 529 2HD LYS 72 3HD LYS 72 15.181 1.349 -4.933 530 1HE LYS 72 2HE LYS 72 13.076 1.734 -5.690 531 2HE LYS 72 3HE LYS 72 13.775 2.380 -7.162 532 1HZ LYS 72 1HZ LYS 72 13.147 -0.455 -6.702 533 2HZ LYS 72 2HZ LYS 72 12.257 0.578 -7.601 534 3HZ LYS 72 3HZ LYS 72 13.763 0.168 -8.081 535 H THR 73 HN THR 73 17.236 5.686 -4.248 536 HA THR 73 HA THR 73 15.213 5.703 -2.319 537 HB THR 73 HB THR 73 17.918 6.839 -2.776 538 HG1 THR 73 HG1 THR 73 16.357 6.099 -0.408 539 1HG2 THR 73 1HG2 THR 73 16.665 8.961 -2.228 540 2HG2 THR 73 2HG2 THR 73 15.994 8.159 -0.789 541 3HG2 THR 73 3HG2 THR 73 17.744 8.457 -0.905 542 H TYR 74 HN TYR 74 15.835 7.812 -5.094 543 HA TYR 74 HA TYR 74 13.804 9.671 -4.104 544 1HB TYR 74 2HB TYR 74 15.979 9.566 -6.258 545 2HB TYR 74 3HB TYR 74 14.716 10.774 -6.382 546 HD1 TYR 74 HD1 TYR 74 17.583 9.619 -4.348 547 HD2 TYR 74 HD2 TYR 74 14.685 12.710 -4.945 548 HE1 TYR 74 HE1 TYR 74 18.883 11.149 -2.787 549 HE2 TYR 74 HE2 TYR 74 15.994 14.229 -3.382 550 HH TYR 74 HH TYR 74 18.499 13.043 -1.397 551 H ILE 75 HN ILE 75 12.887 7.053 -4.830 552 HA ILE 75 HA ILE 75 11.559 7.648 -7.383 553 HB ILE 75 HB ILE 75 13.170 5.619 -7.081 554 1HG1 ILE 75 2HG1 ILE 75 10.465 5.073 -8.313 555 2HG1 ILE 75 3HG1 ILE 75 11.579 6.238 -9.003 556 1HG2 ILE 75 1HG2 ILE 75 11.916 4.889 -4.979 557 2HG2 ILE 75 2HG2 ILE 75 10.636 4.321 -6.077 558 3HG2 ILE 75 3HG2 ILE 75 12.274 3.636 -6.192 559 1HD1 ILE 75 1HD1 ILE 75 12.016 4.156 -10.123 560 2HD1 ILE 75 2HD1 ILE 75 13.359 4.382 -8.977 561 3HD1 ILE 75 3HD1 ILE 75 12.037 3.256 -8.587 562 H ILE 76 HN ILE 76 9.310 7.544 -7.484 563 HA ILE 76 HA ILE 76 7.992 6.971 -4.922 564 HB ILE 76 HB ILE 76 6.611 8.831 -5.117 565 1HG1 ILE 76 2HG1 ILE 76 6.335 8.439 -7.675 566 2HG1 ILE 76 3HG1 ILE 76 6.101 10.044 -7.011 567 1HG2 ILE 76 1HG2 ILE 76 9.412 9.613 -5.956 568 2HG2 ILE 76 2HG2 ILE 76 8.178 10.762 -5.389 569 3HG2 ILE 76 3HG2 ILE 76 8.764 9.479 -4.304 570 1HD1 ILE 76 1HD1 ILE 76 7.500 10.301 -8.957 571 2HD1 ILE 76 2HD1 ILE 76 8.561 10.521 -7.545 572 3HD1 ILE 76 3HD1 ILE 76 8.574 8.981 -8.437 573 H GLY 77 HN GLY 77 7.933 6.972 -8.503 574 1HA GLY 77 1HA GLY 77 6.654 4.549 -8.766 575 2HA GLY 77 2HA GLY 77 5.369 5.741 -8.721 576 H GLU 78 HN GLU 78 5.248 4.633 -11.036 577 HA GLU 78 HA GLU 78 6.993 6.145 -12.813 578 1HB GLU 78 2HB GLU 78 6.604 4.422 -14.488 579 2HB GLU 78 3HB GLU 78 7.105 3.649 -12.997 580 1HG GLU 78 2HG GLU 78 4.515 3.478 -12.498 581 2HG GLU 78 3HG GLU 78 4.329 3.768 -14.216 582 H LEU 79 HN LEU 79 5.830 6.597 -15.059 583 HA LEU 79 HA LEU 79 3.225 7.753 -14.371 584 1HB LEU 79 2HB LEU 79 3.661 9.495 -15.795 585 2HB LEU 79 3HB LEU 79 5.229 9.186 -15.074 586 HG LEU 79 HG LEU 79 5.584 9.604 -17.382 587 1HD1 LEU 79 1HD1 LEU 79 6.840 7.696 -16.324 588 2HD1 LEU 79 2HD1 LEU 79 5.702 6.592 -17.133 589 3HD1 LEU 79 3HD1 LEU 79 6.747 7.660 -18.102 590 1HD2 LEU 79 1HD2 LEU 79 3.995 9.276 -18.890 591 2HD2 LEU 79 2HD2 LEU 79 4.242 7.517 -18.760 592 3HD2 LEU 79 3HD2 LEU 79 3.046 8.327 -17.720 593 H HIS 80 HN HIS 80 1.480 7.612 -15.938 594 HA HIS 80 HA HIS 80 0.882 5.170 -16.798 595 1HB HIS 80 2HB HIS 80 -0.276 7.627 -16.980 596 2HB HIS 80 3HB HIS 80 0.049 7.309 -18.673 597 HD1 HIS 80 HD1 HIS 80 -2.603 7.177 -18.969 598 HD2 HIS 80 HD2 HIS 80 -0.887 4.143 -16.634 599 HE1 HIS 80 HE1 HIS 80 -4.366 5.344 -18.770 600 HA PRO 81 HA PRO 81 3.935 4.542 -19.904 601 1HB PRO 81 2HB PRO 81 3.701 1.822 -20.028 602 2HB PRO 81 3HB PRO 81 4.759 2.643 -18.897 603 1HG PRO 81 2HG PRO 81 2.161 1.329 -18.385 604 2HG PRO 81 3HG PRO 81 3.413 1.768 -17.241 605 1HD PRO 81 2HD PRO 81 0.939 3.148 -17.692 606 2HD PRO 81 3HD PRO 81 2.241 3.650 -16.632 607 H ASP 82 HN ASP 82 0.699 4.519 -20.036 608 HA ASP 82 HA ASP 82 0.400 3.171 -22.497 609 1HB ASP 82 2HB ASP 82 -1.414 3.559 -20.754 610 2HB ASP 82 3HB ASP 82 -1.421 5.252 -21.202 611 H ASP 83 HN ASP 83 0.612 6.607 -21.355 612 HA ASP 83 HA ASP 83 0.495 7.535 -24.072 613 1HB ASP 83 2HB ASP 83 0.712 8.902 -21.359 614 2HB ASP 83 3HB ASP 83 0.860 9.809 -22.851 615 H ARG 84 HN ARG 84 2.806 6.286 -21.919 616 HA ARG 84 HA ARG 84 4.902 8.092 -22.358 617 1HB ARG 84 2HB ARG 84 4.778 6.466 -20.435 618 2HB ARG 84 3HB ARG 84 5.005 5.139 -21.557 619 1HG ARG 84 2HG ARG 84 7.126 6.850 -22.197 620 2HG ARG 84 3HG ARG 84 6.997 7.033 -20.459 621 1HD ARG 84 2HD ARG 84 8.462 5.182 -20.701 622 2HD ARG 84 3HD ARG 84 6.918 4.426 -20.363 623 HE ARG 84 HE ARG 84 7.494 4.838 -23.227 624 1HH1 ARG 84 1HH1 ARG 84 7.783 1.407 -23.786 625 2HH1 ARG 84 2HH1 ARG 84 7.661 2.967 -24.527 626 1HH2 ARG 84 1HH2 ARG 84 7.777 1.217 -21.473 627 2HH2 ARG 84 2HH2 ARG 84 7.650 2.635 -20.488 628 H SER 85 HN SER 85 3.712 5.110 -23.958 629 HA SER 85 HA SER 85 5.987 5.111 -25.722 630 1HB SER 85 2HB SER 85 5.124 2.960 -24.860 631 2HB SER 85 3HB SER 85 3.548 3.286 -25.553 632 HG SER 85 HG SER 85 4.385 2.143 -27.189 633 H LYS 86 HN LYS 86 4.609 7.504 -25.984 634 HA LYS 86 HA LYS 86 2.618 7.272 -28.036 635 1HB LYS 86 2HB LYS 86 3.039 9.080 -26.086 636 2HB LYS 86 3HB LYS 86 3.888 9.887 -27.389 637 1HG LYS 86 2HG LYS 86 1.944 10.454 -28.422 638 2HG LYS 86 3HG LYS 86 1.352 8.806 -28.362 639 1HD LYS 86 2HD LYS 86 0.255 9.117 -26.316 640 2HD LYS 86 3HD LYS 86 1.354 10.376 -25.790 641 1HE LYS 86 2HE LYS 86 -0.088 11.184 -28.219 642 2HE LYS 86 3HE LYS 86 -1.204 10.737 -26.945 643 1HZ LYS 86 1HZ LYS 86 -0.461 13.072 -26.909 644 2HZ LYS 86 2HZ LYS 86 -0.197 12.284 -25.503 645 3HZ LYS 86 3HZ LYS 86 1.045 12.574 -26.522 646 H ILE 87 HN ILE 87 6.100 7.454 -27.822 647 HA ILE 87 HA ILE 87 6.401 8.523 -30.479 648 HB ILE 87 HB ILE 87 8.190 7.687 -28.249 649 1HG1 ILE 87 2HG1 ILE 87 9.238 9.939 -29.029 650 2HG1 ILE 87 3HG1 ILE 87 7.755 10.143 -29.940 651 1HG2 ILE 87 1HG2 ILE 87 9.536 6.609 -29.706 652 2HG2 ILE 87 2HG2 ILE 87 8.848 7.429 -31.128 653 3HG2 ILE 87 3HG2 ILE 87 10.047 8.264 -30.112 654 1HD1 ILE 87 1HD1 ILE 87 7.954 9.667 -26.931 655 2HD1 ILE 87 2HD1 ILE 87 7.523 11.196 -27.731 656 3HD1 ILE 87 3HD1 ILE 87 6.429 9.796 -27.838 657 H ALA 88 HN ALA 88 7.039 5.357 -28.814 658 HA ALA 88 HA ALA 88 7.908 3.869 -30.864 659 1HB ALA 88 1HB ALA 88 7.677 2.351 -29.228 660 2HB ALA 88 2HB ALA 88 6.597 3.450 -28.339 661 3HB ALA 88 3HB ALA 88 5.924 2.309 -29.528 662 HHA HEM 95 HA HEM 95 27.047 12.996 -12.992 663 HHB HEM 95 HB HEM 95 22.936 11.015 -8.598 664 HHC HEM 95 HC HEM 95 18.118 12.723 -12.412 665 HHD HEM 95 HD HEM 95 22.282 14.741 -16.736 666 1HMA HEM 95 1HMA HEM 95 25.837 11.386 -7.617 667 2HMA HEM 95 2HMA HEM 95 26.423 9.915 -8.491 668 3HMA HEM 95 3HMA HEM 95 24.697 10.036 -8.032 669 1HAA HEM 95 1HAA HEM 95 27.593 10.174 -10.391 670 2HAA HEM 95 2HAA HEM 95 28.344 11.847 -10.096 671 1HBA HEM 95 1HBA HEM 95 29.525 10.840 -11.729 672 2HBA HEM 95 2HBA HEM 95 28.791 12.434 -12.128 673 1HMB HEM 95 1HMB HEM 95 20.184 11.606 -7.155 674 2HMB HEM 95 2HMB HEM 95 21.219 10.237 -7.748 675 3HMB HEM 95 3HMB HEM 95 19.445 10.105 -7.864 676 HAB HEM 95 HAB HEM 95 17.486 12.538 -9.630 677 1HBB HEM 95 HBB HEM 95 17.563 9.457 -9.790 678 2HBB HEM 95 HBB HEM 95 16.102 10.601 -9.496 679 1HMC HEM 95 1HMC HEM 95 17.014 14.418 -14.505 680 2HMC HEM 95 2HMC HEM 95 17.201 12.625 -14.316 681 3HMC HEM 95 3HMC HEM 95 17.286 13.361 -15.946 682 HAC HEM 95 HAC HEM 95 20.502 14.768 -17.629 683 1HBC HEM 95 HBC HEM 95 17.750 15.562 -16.475 684 2HBC HEM 95 HBC HEM 95 18.439 15.914 -18.187 685 1HMD HEM 95 1HMD HEM 95 24.703 16.399 -16.820 686 2HMD HEM 95 2HMD HEM 95 24.419 14.916 -17.824 687 3HMD HEM 95 3HMD HEM 95 26.097 15.390 -17.361 688 1HAD HEM 95 1HAD HEM 95 27.999 13.645 -15.826 689 2HAD HEM 95 2HAD HEM 95 27.793 14.160 -14.130 690 1HBD HEM 95 1HBD HEM 95 26.762 16.394 -15.426 691 2HBD HEM 95 2HBD HEM 95 27.905 15.840 -16.664 Start of MODEL 2 1 H VAL 4 HN VAL 4 2.033 -1.003 -8.534 2 HA VAL 4 HA VAL 4 3.968 0.857 -7.338 3 HB VAL 4 HB VAL 4 4.492 -0.646 -9.427 4 1HG1 VAL 4 1HG1 VAL 4 3.050 1.695 -10.717 5 2HG1 VAL 4 2HG1 VAL 4 3.973 0.427 -11.559 6 3HG1 VAL 4 3HG1 VAL 4 2.476 0.011 -10.691 7 1HG2 VAL 4 1HG2 VAL 4 5.321 2.078 -10.104 8 2HG2 VAL 4 2HG2 VAL 4 5.526 1.705 -8.375 9 3HG2 VAL 4 3HG2 VAL 4 6.295 0.675 -9.605 10 H LYS 5 HN LYS 5 3.760 3.142 -8.416 11 HA LYS 5 HA LYS 5 0.888 3.751 -8.507 12 1HB LYS 5 2HB LYS 5 3.103 4.884 -6.979 13 2HB LYS 5 3HB LYS 5 2.252 6.109 -7.899 14 1HG LYS 5 2HG LYS 5 0.563 4.090 -6.446 15 2HG LYS 5 3HG LYS 5 1.413 5.263 -5.460 16 1HD LYS 5 2HD LYS 5 -0.586 6.404 -5.892 17 2HD LYS 5 3HD LYS 5 0.441 7.035 -7.163 18 1HE LYS 5 2HE LYS 5 -0.470 5.201 -8.696 19 2HE LYS 5 3HE LYS 5 -1.607 4.785 -7.430 20 1HZ LYS 5 1HZ LYS 5 -2.280 7.179 -7.509 21 2HZ LYS 5 2HZ LYS 5 -1.417 7.319 -8.888 22 3HZ LYS 5 3HZ LYS 5 -2.684 6.291 -8.818 23 H TYR 6 HN TYR 6 0.117 4.397 -10.440 24 HA TYR 6 HA TYR 6 2.079 5.218 -12.447 25 1HB TYR 6 2HB TYR 6 -0.905 4.443 -12.503 26 2HB TYR 6 3HB TYR 6 0.052 4.748 -13.938 27 HD1 TYR 6 HD1 TYR 6 2.510 3.307 -13.589 28 HD2 TYR 6 HD2 TYR 6 -1.429 2.191 -12.348 29 HE1 TYR 6 HE1 TYR 6 3.175 0.854 -13.662 30 HE2 TYR 6 HE2 TYR 6 -0.751 -0.258 -12.426 31 HH TYR 6 HH TYR 6 2.414 -1.215 -13.648 32 H TYR 7 HN TYR 7 2.290 7.320 -13.026 33 HA TYR 7 HA TYR 7 0.111 9.127 -12.229 34 1HB TYR 7 2HB TYR 7 3.024 9.777 -12.943 35 2HB TYR 7 3HB TYR 7 1.927 10.765 -12.000 36 HD1 TYR 7 HD1 TYR 7 4.756 8.847 -11.726 37 HD2 TYR 7 HD2 TYR 7 0.943 9.308 -9.842 38 HE1 TYR 7 HE1 TYR 7 5.686 7.847 -9.582 39 HE2 TYR 7 HE2 TYR 7 1.885 8.305 -7.704 40 HH TYR 7 HH TYR 7 4.332 8.195 -6.697 41 H THR 8 HN THR 8 -0.618 10.728 -13.702 42 HA THR 8 HA THR 8 -0.411 9.944 -16.446 43 HB THR 8 HB THR 8 -1.859 12.157 -16.582 44 HG1 THR 8 HG1 THR 8 -2.695 12.441 -14.258 45 1HG2 THR 8 1HG2 THR 8 -2.770 9.730 -16.437 46 2HG2 THR 8 2HG2 THR 8 -2.896 10.002 -14.683 47 3HG2 THR 8 3HG2 THR 8 -3.838 11.008 -15.809 48 H LEU 9 HN LEU 9 0.494 11.057 -18.198 49 HA LEU 9 HA LEU 9 2.989 12.125 -17.766 50 1HB LEU 9 2HB LEU 9 3.106 12.378 -20.025 51 2HB LEU 9 3HB LEU 9 1.834 11.181 -19.879 52 HG LEU 9 HG LEU 9 1.396 14.147 -20.323 53 1HD1 LEU 9 1HD1 LEU 9 2.017 11.988 -22.160 54 2HD1 LEU 9 2HD1 LEU 9 0.438 12.726 -22.524 55 3HD1 LEU 9 3HD1 LEU 9 1.898 13.741 -22.449 56 1HD2 LEU 9 1HD2 LEU 9 -0.498 11.824 -20.017 57 2HD2 LEU 9 2HD2 LEU 9 -0.515 13.408 -19.206 58 3HD2 LEU 9 3HD2 LEU 9 -0.952 13.285 -20.927 59 H GLU 10 HN GLU 10 -0.133 13.555 -17.273 60 HA GLU 10 HA GLU 10 0.519 16.202 -17.801 61 1HB GLU 10 2HB GLU 10 -1.648 14.709 -16.468 62 2HB GLU 10 3HB GLU 10 -1.375 16.280 -15.743 63 1HG GLU 10 2HG GLU 10 -1.240 16.812 -18.499 64 2HG GLU 10 3HG GLU 10 -2.509 15.609 -18.384 65 H GLU 11 HN GLU 11 1.093 14.065 -15.007 66 HA GLU 11 HA GLU 11 1.633 16.039 -13.146 67 1HB GLU 11 2HB GLU 11 1.830 13.162 -13.350 68 2HB GLU 11 3HB GLU 11 3.306 13.767 -12.625 69 1HG GLU 11 2HG GLU 11 2.176 13.924 -10.664 70 2HG GLU 11 3HG GLU 11 1.290 15.268 -11.358 71 H ILE 12 HN ILE 12 4.142 13.881 -14.651 72 HA ILE 12 HA ILE 12 6.363 15.163 -14.037 73 HB ILE 12 HB ILE 12 6.848 14.626 -16.683 74 1HG1 ILE 12 2HG1 ILE 12 4.269 13.929 -16.577 75 2HG1 ILE 12 3HG1 ILE 12 5.440 13.095 -17.579 76 1HG2 ILE 12 1HG2 ILE 12 6.905 12.935 -14.190 77 2HG2 ILE 12 2HG2 ILE 12 7.460 12.304 -15.758 78 3HG2 ILE 12 3HG2 ILE 12 8.248 13.732 -15.043 79 1HD1 ILE 12 1HD1 ILE 12 5.092 12.180 -14.723 80 2HD1 ILE 12 2HD1 ILE 12 3.859 11.735 -15.927 81 3HD1 ILE 12 3HD1 ILE 12 5.552 11.238 -16.161 82 H GLN 13 HN GLN 13 3.997 16.264 -16.511 83 HA GLN 13 HA GLN 13 5.550 18.335 -17.488 84 1HB GLN 13 2HB GLN 13 2.579 17.763 -17.414 85 2HB GLN 13 3HB GLN 13 3.147 19.301 -18.033 86 1HG GLN 13 2HG GLN 13 4.661 16.985 -19.100 87 2HG GLN 13 3HG GLN 13 2.955 16.936 -19.500 88 1HE2 GLN 13 1HE2 GLN 13 2.908 17.503 -21.562 89 2HE2 GLN 13 2HE2 GLN 13 3.517 18.978 -22.237 90 H LYS 14 HN LYS 14 2.508 18.967 -15.638 91 HA LYS 14 HA LYS 14 3.081 21.456 -14.809 92 1HB LYS 14 2HB LYS 14 1.540 21.001 -12.895 93 2HB LYS 14 3HB LYS 14 0.920 20.514 -14.460 94 1HG LYS 14 2HG LYS 14 2.114 18.181 -13.779 95 2HG LYS 14 3HG LYS 14 1.842 18.801 -12.163 96 1HD LYS 14 2HD LYS 14 -0.593 19.303 -13.495 97 2HD LYS 14 3HD LYS 14 -0.100 17.734 -14.101 98 1HE LYS 14 2HE LYS 14 -0.306 16.705 -12.033 99 2HE LYS 14 3HE LYS 14 0.206 18.128 -11.148 100 1HZ LYS 14 1HZ LYS 14 -2.374 18.034 -12.531 101 2HZ LYS 14 2HZ LYS 14 -2.199 17.495 -11.000 102 3HZ LYS 14 3HZ LYS 14 -1.898 19.060 -11.352 103 H HIS 15 HN HIS 15 4.509 18.434 -13.647 104 HA HIS 15 HA HIS 15 5.746 19.824 -11.426 105 1HB HIS 15 2HB HIS 15 5.909 16.922 -12.293 106 2HB HIS 15 3HB HIS 15 6.606 17.590 -10.830 107 HD1 HIS 15 HD1 HIS 15 4.497 19.080 -9.434 108 HD2 HIS 15 HD2 HIS 15 3.585 15.655 -11.679 109 HE1 HIS 15 HE1 HIS 15 2.263 18.220 -8.550 110 H LYS 16 HN LYS 16 6.518 21.053 -13.735 111 HA LYS 16 HA LYS 16 9.161 19.900 -14.290 112 1HB LYS 16 2HB LYS 16 9.100 21.026 -16.417 113 2HB LYS 16 3HB LYS 16 7.648 20.063 -16.240 114 1HG LYS 16 2HG LYS 16 6.546 22.250 -15.309 115 2HG LYS 16 3HG LYS 16 7.933 23.079 -15.986 116 1HD LYS 16 2HD LYS 16 7.245 22.753 -18.161 117 2HD LYS 16 3HD LYS 16 6.643 21.139 -17.842 118 1HE LYS 16 2HE LYS 16 4.531 21.893 -17.196 119 2HE LYS 16 3HE LYS 16 5.139 23.415 -16.578 120 1HZ LYS 16 1HZ LYS 16 3.874 23.400 -18.764 121 2HZ LYS 16 2HZ LYS 16 5.236 24.296 -18.682 122 3HZ LYS 16 3HZ LYS 16 5.257 22.849 -19.438 123 H ASP 17 HN ASP 17 8.419 21.411 -11.866 124 HA ASP 17 HA ASP 17 10.165 23.691 -12.355 125 1HB ASP 17 2HB ASP 17 7.446 23.695 -11.425 126 2HB ASP 17 3HB ASP 17 8.450 24.120 -10.052 127 H SER 18 HN SER 18 11.249 24.415 -10.188 128 HA SER 18 HA SER 18 12.629 22.382 -9.086 129 1HB SER 18 2HB SER 18 12.473 25.167 -8.757 130 2HB SER 18 3HB SER 18 12.158 24.549 -7.148 131 HG SER 18 HG SER 18 14.464 24.905 -7.659 132 H LYS 19 HN LYS 19 9.721 24.052 -7.671 133 HA LYS 19 HA LYS 19 9.479 22.705 -5.343 134 1HB LYS 19 2HB LYS 19 7.708 24.163 -7.152 135 2HB LYS 19 3HB LYS 19 6.855 22.915 -6.265 136 1HG LYS 19 2HG LYS 19 8.747 24.371 -4.539 137 2HG LYS 19 3HG LYS 19 7.594 25.456 -5.291 138 1HD LYS 19 2HD LYS 19 6.443 22.923 -4.189 139 2HD LYS 19 3HD LYS 19 7.085 24.038 -2.999 140 1HE LYS 19 2HE LYS 19 5.683 25.877 -3.974 141 2HE LYS 19 3HE LYS 19 5.034 24.753 -5.151 142 1HZ LYS 19 1HZ LYS 19 4.081 23.484 -3.407 143 2HZ LYS 19 2HZ LYS 19 4.814 24.371 -2.247 144 3HZ LYS 19 3HZ LYS 19 3.646 25.040 -3.172 145 H SER 20 HN SER 20 8.456 21.585 -8.620 146 HA SER 20 HA SER 20 8.481 18.905 -7.510 147 1HB SER 20 2HB SER 20 6.440 18.386 -8.960 148 2HB SER 20 3HB SER 20 6.137 19.366 -7.539 149 HG SER 20 HG SER 20 5.981 21.230 -8.814 150 H THR 21 HN THR 21 10.344 18.219 -8.579 151 HA THR 21 HA THR 21 10.354 18.580 -11.504 152 HB THR 21 HB THR 21 12.861 18.016 -9.922 153 HG1 THR 21 HG1 THR 21 11.482 20.592 -10.209 154 1HG2 THR 21 1HG2 THR 21 13.624 18.565 -12.022 155 2HG2 THR 21 2HG2 THR 21 12.056 19.260 -12.496 156 3HG2 THR 21 3HG2 THR 21 13.221 20.239 -11.573 157 H TRP 22 HN TRP 22 9.663 16.792 -12.498 158 HA TRP 22 HA TRP 22 10.555 14.237 -11.344 159 1HB TRP 22 2HB TRP 22 7.960 15.113 -12.516 160 2HB TRP 22 3HB TRP 22 8.490 13.476 -12.848 161 HD1 TRP 22 HD1 TRP 22 9.528 14.686 -9.418 162 HE1 TRP 22 HE1 TRP 22 8.088 13.597 -7.493 163 HE3 TRP 22 HE3 TRP 22 6.009 12.662 -12.479 164 HZ2 TRP 22 HZ2 TRP 22 5.692 12.046 -7.468 165 HZ3 TRP 22 HZ3 TRP 22 4.153 11.375 -11.424 166 HH2 TRP 22 HH2 TRP 22 3.962 11.053 -9.010 167 H VAL 23 HN VAL 23 10.903 12.512 -13.072 168 HA VAL 23 HA VAL 23 11.319 13.439 -15.748 169 HB VAL 23 HB VAL 23 13.313 14.355 -14.880 170 1HG1 VAL 23 1HG1 VAL 23 14.119 11.736 -13.608 171 2HG1 VAL 23 2HG1 VAL 23 14.777 13.368 -13.335 172 3HG1 VAL 23 3HG1 VAL 23 13.161 12.947 -12.722 173 1HG2 VAL 23 1HG2 VAL 23 14.921 12.206 -15.700 174 2HG2 VAL 23 2HG2 VAL 23 13.397 12.019 -16.601 175 3HG2 VAL 23 3HG2 VAL 23 14.311 13.543 -16.705 176 H ILE 24 HN ILE 24 10.701 11.766 -17.010 177 HA ILE 24 HA ILE 24 10.234 9.226 -15.855 178 HB ILE 24 HB ILE 24 10.128 10.276 -18.679 179 1HG1 ILE 24 2HG1 ILE 24 7.709 9.379 -17.210 180 2HG1 ILE 24 3HG1 ILE 24 8.476 10.833 -16.603 181 1HG2 ILE 24 1HG2 ILE 24 10.441 7.609 -18.012 182 2HG2 ILE 24 2HG2 ILE 24 8.678 7.793 -18.171 183 3HG2 ILE 24 3HG2 ILE 24 9.745 8.249 -19.521 184 1HD1 ILE 24 1HD1 ILE 24 8.375 10.901 -19.520 185 2HD1 ILE 24 2HD1 ILE 24 6.754 10.626 -18.838 186 3HD1 ILE 24 3HD1 ILE 24 7.697 12.053 -18.345 187 H LEU 25 HN LEU 25 11.855 7.896 -15.237 188 HA LEU 25 HA LEU 25 14.126 7.673 -17.089 189 1HB LEU 25 2HB LEU 25 14.021 8.242 -14.268 190 2HB LEU 25 3HB LEU 25 14.877 6.737 -14.542 191 HG LEU 25 HG LEU 25 16.523 7.784 -15.892 192 1HD1 LEU 25 1HD1 LEU 25 16.097 10.482 -16.065 193 2HD1 LEU 25 2HD1 LEU 25 15.771 9.301 -17.357 194 3HD1 LEU 25 3HD1 LEU 25 14.453 9.834 -16.285 195 1HD2 LEU 25 1HD2 LEU 25 15.869 9.549 -13.519 196 2HD2 LEU 25 2HD2 LEU 25 16.900 8.098 -13.536 197 3HD2 LEU 25 3HD2 LEU 25 17.413 9.563 -14.405 198 H HIS 26 HN HIS 26 14.250 5.761 -18.127 199 HA HIS 26 HA HIS 26 13.577 3.732 -18.744 200 1HB HIS 26 2HB HIS 26 14.254 2.731 -16.009 201 2HB HIS 26 3HB HIS 26 14.694 2.088 -17.578 202 HD1 HIS 26 HD1 HIS 26 15.523 5.138 -15.407 203 HD2 HIS 26 HD2 HIS 26 17.253 2.691 -18.341 204 HE1 HIS 26 HE1 HIS 26 17.945 5.906 -15.641 205 H HIS 27 HN HIS 27 11.278 5.009 -18.348 206 HA HIS 27 HA HIS 27 9.154 4.813 -17.828 207 1HB HIS 27 2HB HIS 27 9.758 1.866 -17.459 208 2HB HIS 27 3HB HIS 27 8.183 2.576 -17.750 209 HD1 HIS 27 HD1 HIS 27 7.708 3.514 -20.180 210 HD2 HIS 27 HD2 HIS 27 11.374 1.527 -19.729 211 HE1 HIS 27 HE1 HIS 27 8.560 3.042 -22.539 212 H LYS 28 HN LYS 28 10.496 5.915 -15.785 213 HA LYS 28 HA LYS 28 8.913 5.237 -13.563 214 1HB LYS 28 2HB LYS 28 11.475 3.844 -13.791 215 2HB LYS 28 3HB LYS 28 11.361 4.788 -12.318 216 1HG LYS 28 2HG LYS 28 9.731 3.443 -11.427 217 2HG LYS 28 3HG LYS 28 8.869 3.309 -12.948 218 1HD LYS 28 2HD LYS 28 9.675 1.196 -13.122 219 2HD LYS 28 3HD LYS 28 11.257 1.891 -13.412 220 1HE LYS 28 2HE LYS 28 11.426 0.307 -11.554 221 2HE LYS 28 3HE LYS 28 11.682 1.927 -10.934 222 1HZ LYS 28 1HZ LYS 28 9.685 0.106 -10.246 223 2HZ LYS 28 2HZ LYS 28 10.010 1.558 -9.575 224 3HZ LYS 28 3HZ LYS 28 8.974 1.453 -10.833 225 H VAL 29 HN VAL 29 8.405 7.328 -13.139 226 HA VAL 29 HA VAL 29 10.141 9.461 -13.660 227 HB VAL 29 HB VAL 29 8.481 10.809 -12.622 228 1HG1 VAL 29 1HG1 VAL 29 6.613 8.743 -13.616 229 2HG1 VAL 29 2HG1 VAL 29 6.859 10.423 -14.147 230 3HG1 VAL 29 3HG1 VAL 29 7.956 9.141 -14.714 231 1HG2 VAL 29 1HG2 VAL 29 6.919 8.490 -11.550 232 2HG2 VAL 29 2HG2 VAL 29 8.327 9.064 -10.625 233 3HG2 VAL 29 3HG2 VAL 29 6.989 10.179 -10.993 234 H TYR 30 HN TYR 30 11.509 10.686 -12.330 235 HA TYR 30 HA TYR 30 12.081 9.432 -9.728 236 1HB TYR 30 2HB TYR 30 13.686 10.596 -12.036 237 2HB TYR 30 3HB TYR 30 14.352 10.799 -10.429 238 HD1 TYR 30 HD1 TYR 30 12.442 7.797 -10.626 239 HD2 TYR 30 HD2 TYR 30 16.262 9.461 -11.594 240 HE1 TYR 30 HE1 TYR 30 13.438 5.460 -10.742 241 HE2 TYR 30 HE2 TYR 30 17.246 7.118 -11.707 242 HH TYR 30 HH TYR 30 16.898 4.995 -11.167 243 H ASP 31 HN ASP 31 11.211 10.691 -8.143 244 HA ASP 31 HA ASP 31 10.829 13.457 -8.585 245 1HB ASP 31 2HB ASP 31 9.292 12.095 -7.188 246 2HB ASP 31 3HB ASP 31 10.593 11.740 -6.069 247 H LEU 32 HN LEU 32 13.169 14.032 -8.986 248 HA LEU 32 HA LEU 32 14.873 13.845 -6.630 249 1HB LEU 32 2HB LEU 32 16.687 14.276 -8.061 250 2HB LEU 32 3HB LEU 32 15.673 13.090 -8.858 251 HG LEU 32 HG LEU 32 14.891 15.733 -9.707 252 1HD1 LEU 32 1HD1 LEU 32 17.627 15.319 -10.717 253 2HD1 LEU 32 2HD1 LEU 32 16.773 16.815 -10.270 254 3HD1 LEU 32 3HD1 LEU 32 17.527 15.810 -9.010 255 1HD2 LEU 32 1HD2 LEU 32 15.943 13.229 -11.005 256 2HD2 LEU 32 2HD2 LEU 32 14.320 13.953 -11.092 257 3HD2 LEU 32 3HD2 LEU 32 15.681 14.717 -11.947 258 H THR 33 HN THR 33 12.545 15.532 -6.465 259 HA THR 33 HA THR 33 13.051 18.191 -7.120 260 HB THR 33 HB THR 33 11.484 17.038 -4.752 261 HG1 THR 33 HG1 THR 33 9.804 17.026 -6.476 262 1HG2 THR 33 1HG2 THR 33 10.520 19.323 -6.441 263 2HG2 THR 33 2HG2 THR 33 10.323 19.049 -4.693 264 3HG2 THR 33 3HG2 THR 33 11.856 19.692 -5.326 265 H LYS 34 HN LYS 34 13.746 16.414 -4.038 266 HA LYS 34 HA LYS 34 14.968 18.650 -2.844 267 1HB LYS 34 2HB LYS 34 15.574 15.798 -2.092 268 2HB LYS 34 3HB LYS 34 15.460 17.213 -1.064 269 1HG LYS 34 2HG LYS 34 13.291 16.700 -0.657 270 2HG LYS 34 3HG LYS 34 12.928 17.023 -2.342 271 1HD LYS 34 2HD LYS 34 14.072 14.475 -2.449 272 2HD LYS 34 3HD LYS 34 13.187 14.429 -0.937 273 1HE LYS 34 2HE LYS 34 11.830 15.547 -3.405 274 2HE LYS 34 3HE LYS 34 11.972 13.810 -3.224 275 1HZ LYS 34 1HZ LYS 34 9.961 14.998 -2.245 276 2HZ LYS 34 2HZ LYS 34 10.681 13.840 -1.346 277 3HZ LYS 34 3HZ LYS 34 10.950 15.417 -1.014 278 H TYR 35 HN TYR 35 16.174 15.889 -4.810 279 HA TYR 35 HA TYR 35 18.893 16.865 -4.554 280 1HB TYR 35 2HB TYR 35 18.218 14.412 -4.537 281 2HB TYR 35 3HB TYR 35 17.496 14.607 -6.122 282 HD1 TYR 35 HD1 TYR 35 18.808 14.452 -8.106 283 HD2 TYR 35 HD2 TYR 35 20.730 14.635 -4.288 284 HE1 TYR 35 HE1 TYR 35 21.027 13.838 -9.185 285 HE2 TYR 35 HE2 TYR 35 22.942 14.020 -5.379 286 HH TYR 35 HH TYR 35 24.000 13.741 -7.262 287 H LEU 36 HN LEU 36 16.572 18.355 -6.008 288 HA LEU 36 HA LEU 36 17.335 18.243 -8.758 289 1HB LEU 36 2HB LEU 36 15.060 18.701 -8.145 290 2HB LEU 36 3HB LEU 36 15.539 20.081 -7.176 291 HG LEU 36 HG LEU 36 14.516 20.683 -9.355 292 1HD1 LEU 36 1HD1 LEU 36 16.744 21.802 -8.097 293 2HD1 LEU 36 2HD1 LEU 36 17.146 21.808 -9.832 294 3HD1 LEU 36 3HD1 LEU 36 15.652 22.590 -9.261 295 1HD2 LEU 36 1HD2 LEU 36 16.907 19.203 -10.447 296 2HD2 LEU 36 2HD2 LEU 36 15.184 19.011 -10.852 297 3HD2 LEU 36 3HD2 LEU 36 16.067 20.463 -11.383 298 H GLU 37 HN GLU 37 17.830 20.530 -5.996 299 HA GLU 37 HA GLU 37 19.612 22.057 -7.663 300 1HB GLU 37 2HB GLU 37 18.557 22.436 -4.835 301 2HB GLU 37 3HB GLU 37 19.770 23.492 -5.530 302 1HG GLU 37 2HG GLU 37 18.104 23.767 -7.531 303 2HG GLU 37 3HG GLU 37 16.906 23.068 -6.460 304 H GLU 38 HN GLU 38 19.759 19.304 -5.680 305 HA GLU 38 HA GLU 38 22.341 19.894 -4.589 306 1HB GLU 38 2HB GLU 38 20.229 18.174 -3.899 307 2HB GLU 38 3HB GLU 38 21.482 17.085 -4.461 308 1HG GLU 38 2HG GLU 38 22.799 19.044 -2.847 309 2HG GLU 38 3HG GLU 38 21.352 18.587 -1.971 310 H HIS 39 HN HIS 39 20.951 18.470 -7.468 311 HA HIS 39 HA HIS 39 22.809 16.615 -8.190 312 1HB HIS 39 2HB HIS 39 20.632 17.344 -9.334 313 2HB HIS 39 3HB HIS 39 21.583 18.582 -10.130 314 HD1 HIS 39 HD1 HIS 39 21.682 17.733 -12.500 315 HD2 HIS 39 HD2 HIS 39 22.694 14.785 -9.694 316 HE1 HIS 39 HE1 HIS 39 22.488 15.718 -13.841 317 HA PRO 40 HA PRO 40 26.418 19.016 -8.604 318 1HB PRO 40 2HB PRO 40 28.110 17.023 -9.402 319 2HB PRO 40 3HB PRO 40 27.724 17.337 -7.721 320 1HG PRO 40 2HG PRO 40 26.762 15.153 -9.466 321 2HG PRO 40 3HG PRO 40 26.740 15.251 -7.716 322 1HD PRO 40 2HD PRO 40 24.515 15.637 -9.486 323 2HD PRO 40 3HD PRO 40 24.519 15.849 -7.747 324 H GLY 41 HN GLY 41 25.042 17.125 -11.134 325 1HA GLY 41 1HA GLY 41 26.712 18.058 -13.220 326 2HA GLY 41 2HA GLY 41 25.125 17.330 -13.374 327 H GLY 42 HN GLY 42 23.214 18.843 -12.619 328 1HA GLY 42 1HA GLY 42 23.586 21.650 -12.709 329 2HA GLY 42 2HA GLY 42 23.123 21.057 -14.291 330 H GLU 43 HN GLU 43 21.642 22.729 -12.210 331 HA GLU 43 HA GLU 43 19.551 20.962 -11.376 332 1HB GLU 43 2HB GLU 43 18.558 23.070 -10.415 333 2HB GLU 43 3HB GLU 43 20.181 22.730 -9.847 334 1HG GLU 43 2HG GLU 43 20.874 24.748 -10.606 335 2HG GLU 43 3HG GLU 43 20.465 24.278 -12.244 336 H GLU 44 HN GLU 44 20.387 22.503 -14.259 337 HA GLU 44 HA GLU 44 17.632 23.044 -14.971 338 1HB GLU 44 2HB GLU 44 19.353 24.756 -15.507 339 2HB GLU 44 3HB GLU 44 20.226 23.590 -16.483 340 1HG GLU 44 2HG GLU 44 18.344 23.396 -18.048 341 2HG GLU 44 3HG GLU 44 17.326 24.383 -17.019 342 H VAL 45 HN VAL 45 20.529 21.205 -16.170 343 HA VAL 45 HA VAL 45 19.523 19.944 -18.306 344 HB VAL 45 HB VAL 45 21.698 19.437 -17.876 345 1HG1 VAL 45 1HG1 VAL 45 22.271 18.376 -15.486 346 2HG1 VAL 45 2HG1 VAL 45 22.230 20.133 -15.766 347 3HG1 VAL 45 3HG1 VAL 45 20.835 19.319 -15.021 348 1HG2 VAL 45 1HG2 VAL 45 20.784 16.935 -16.524 349 2HG2 VAL 45 2HG2 VAL 45 20.100 17.310 -18.124 350 3HG2 VAL 45 3HG2 VAL 45 21.862 17.156 -17.923 351 H LEU 46 HN LEU 46 18.533 19.524 -14.936 352 HA LEU 46 HA LEU 46 17.039 17.128 -15.572 353 1HB LEU 46 2HB LEU 46 16.826 18.585 -12.975 354 2HB LEU 46 3HB LEU 46 16.740 16.867 -13.308 355 HG LEU 46 HG LEU 46 19.350 18.218 -13.813 356 1HD1 LEU 46 1HD1 LEU 46 18.488 17.508 -10.999 357 2HD1 LEU 46 2HD1 LEU 46 20.023 18.242 -11.525 358 3HD1 LEU 46 3HD1 LEU 46 18.507 19.167 -11.647 359 1HD2 LEU 46 1HD2 LEU 46 18.324 15.513 -13.193 360 2HD2 LEU 46 2HD2 LEU 46 19.678 16.028 -14.227 361 3HD2 LEU 46 3HD2 LEU 46 19.889 15.939 -12.462 362 H ARG 47 HN ARG 47 16.428 20.557 -14.574 363 HA ARG 47 HA ARG 47 13.669 20.298 -14.689 364 1HB ARG 47 2HB ARG 47 15.661 22.495 -14.472 365 2HB ARG 47 3HB ARG 47 14.166 22.990 -15.241 366 1HG ARG 47 2HG ARG 47 12.863 22.083 -13.313 367 2HG ARG 47 3HG ARG 47 14.350 21.558 -12.547 368 1HD ARG 47 2HD ARG 47 13.760 23.678 -11.540 369 2HD ARG 47 3HD ARG 47 15.142 23.981 -12.574 370 HE ARG 47 HE ARG 47 12.368 24.884 -13.037 371 1HH1 ARG 47 1HH1 ARG 47 13.325 26.749 -15.827 372 2HH1 ARG 47 2HH1 ARG 47 12.049 26.414 -14.703 373 1HH2 ARG 47 1HH2 ARG 47 15.356 25.643 -15.639 374 2HH2 ARG 47 2HH2 ARG 47 15.598 24.483 -14.376 375 H GLU 48 HN GLU 48 15.982 21.919 -17.000 376 HA GLU 48 HA GLU 48 14.429 22.713 -18.934 377 1HB GLU 48 2HB GLU 48 16.797 22.886 -19.211 378 2HB GLU 48 3HB GLU 48 17.024 21.151 -19.137 379 1HG GLU 48 2HG GLU 48 16.033 20.822 -21.315 380 2HG GLU 48 3HG GLU 48 15.379 22.447 -21.349 381 H GLN 49 HN GLN 49 15.282 19.246 -18.377 382 HA GLN 49 HA GLN 49 13.018 18.596 -20.090 383 1HB GLN 49 2HB GLN 49 14.269 16.592 -20.895 384 2HB GLN 49 3HB GLN 49 15.038 18.095 -21.367 385 1HG GLN 49 2HG GLN 49 16.313 17.704 -18.996 386 2HG GLN 49 3HG GLN 49 15.947 16.034 -19.380 387 1HE2 GLN 49 1HE2 GLN 49 18.461 17.657 -19.315 388 2HE2 GLN 49 2HE2 GLN 49 19.240 17.395 -20.840 389 H ALA 50 HN ALA 50 12.615 18.948 -17.406 390 HA ALA 50 HA ALA 50 13.125 16.591 -15.904 391 1HB ALA 50 1HB ALA 50 12.879 18.435 -14.540 392 2HB ALA 50 2HB ALA 50 11.624 19.165 -15.570 393 3HB ALA 50 3HB ALA 50 11.212 17.814 -14.490 394 H GLY 51 HN GLY 51 9.821 17.923 -16.209 395 1HA GLY 51 1HA GLY 51 8.414 15.641 -16.050 396 2HA GLY 51 2HA GLY 51 7.910 17.013 -17.018 397 H GLY 52 HN GLY 52 10.212 16.835 -18.917 398 1HA GLY 52 1HA GLY 52 9.064 15.189 -20.861 399 2HA GLY 52 2HA GLY 52 10.672 15.884 -20.899 400 H ASP 53 HN ASP 53 11.965 14.185 -21.555 401 HA ASP 53 HA ASP 53 11.957 11.902 -19.757 402 1HB ASP 53 2HB ASP 53 12.290 10.373 -21.660 403 2HB ASP 53 3HB ASP 53 10.781 11.246 -21.843 404 H ALA 54 HN ALA 54 14.023 11.869 -18.859 405 HA ALA 54 HA ALA 54 16.224 12.838 -20.552 406 1HB ALA 54 1HB ALA 54 16.193 12.695 -17.521 407 2HB ALA 54 2HB ALA 54 17.279 13.633 -18.575 408 3HB ALA 54 3HB ALA 54 15.571 14.106 -18.410 409 H THR 55 HN THR 55 14.933 10.103 -20.462 410 HA THR 55 HA THR 55 16.364 8.288 -18.972 411 HB THR 55 HB THR 55 15.175 8.130 -21.790 412 HG1 THR 55 HG1 THR 55 14.389 7.476 -19.038 413 1HG2 THR 55 1HG2 THR 55 16.841 6.207 -20.760 414 2HG2 THR 55 2HG2 THR 55 15.310 5.746 -19.978 415 3HG2 THR 55 3HG2 THR 55 15.414 5.822 -21.753 416 H GLU 56 HN GLU 56 17.072 8.884 -22.475 417 HA GLU 56 HA GLU 56 19.556 7.701 -22.307 418 1HB GLU 56 2HB GLU 56 18.451 9.756 -24.268 419 2HB GLU 56 3HB GLU 56 19.977 8.926 -24.504 420 1HG GLU 56 2HG GLU 56 18.952 6.831 -24.833 421 2HG GLU 56 3HG GLU 56 17.519 7.268 -23.925 422 H ASN 57 HN ASN 57 18.476 11.066 -21.750 423 HA ASN 57 HA ASN 57 20.968 12.250 -21.828 424 1HB ASN 57 2HB ASN 57 18.271 12.895 -20.696 425 2HB ASN 57 3HB ASN 57 19.603 13.751 -19.946 426 1HD2 ASN 57 1HD2 ASN 57 21.285 14.569 -21.595 427 2HD2 ASN 57 2HD2 ASN 57 20.663 15.420 -22.968 428 H PHE 58 HN PHE 58 19.367 10.158 -19.492 429 HA PHE 58 HA PHE 58 21.133 10.956 -17.333 430 1HB PHE 58 2HB PHE 58 18.908 10.477 -16.600 431 2HB PHE 58 3HB PHE 58 18.683 9.222 -17.803 432 HD1 PHE 58 HD1 PHE 58 19.482 9.918 -14.403 433 HD2 PHE 58 HD2 PHE 58 19.964 7.022 -17.466 434 HE1 PHE 58 HE1 PHE 58 19.978 8.170 -12.672 435 HE2 PHE 58 HE2 PHE 58 20.461 5.273 -15.735 436 HZ PHE 58 HZ PHE 58 20.462 5.868 -13.359 437 H GLU 59 HN GLU 59 20.489 8.192 -19.550 438 HA GLU 59 HA GLU 59 22.438 6.576 -18.269 439 1HB GLU 59 2HB GLU 59 20.957 6.285 -20.919 440 2HB GLU 59 3HB GLU 59 22.030 5.063 -20.269 441 1HG GLU 59 2HG GLU 59 20.556 5.218 -18.101 442 2HG GLU 59 3HG GLU 59 19.394 6.044 -19.120 443 H ASP 60 HN ASP 60 22.331 8.904 -20.947 444 HA ASP 60 HA ASP 60 24.608 8.092 -22.271 445 1HB ASP 60 2HB ASP 60 22.997 9.757 -23.154 446 2HB ASP 60 3HB ASP 60 23.431 10.884 -21.885 447 H VAL 61 HN VAL 61 24.034 10.370 -19.514 448 HA VAL 61 HA VAL 61 26.736 11.199 -19.322 449 HB VAL 61 HB VAL 61 26.037 12.321 -17.352 450 1HG1 VAL 61 1HG1 VAL 61 23.631 13.151 -18.213 451 2HG1 VAL 61 2HG1 VAL 61 25.155 13.618 -19.005 452 3HG1 VAL 61 3HG1 VAL 61 24.172 12.295 -19.677 453 1HG2 VAL 61 1HG2 VAL 61 23.303 11.422 -17.065 454 2HG2 VAL 61 2HG2 VAL 61 24.427 10.049 -16.912 455 3HG2 VAL 61 3HG2 VAL 61 24.611 11.474 -15.859 456 H GLY 62 HN GLY 62 25.037 8.300 -18.492 457 1HA GLY 62 1HA GLY 62 25.661 6.434 -17.409 458 2HA GLY 62 2HA GLY 62 27.320 6.965 -17.608 459 H HIS 63 HN HIS 63 24.431 7.127 -15.491 460 HA HIS 63 HA HIS 63 25.714 8.616 -13.465 461 1HB HIS 63 2HB HIS 63 23.184 6.995 -13.651 462 2HB HIS 63 3HB HIS 63 23.731 7.606 -12.101 463 HD1 HIS 63 HD1 HIS 63 23.056 9.027 -15.607 464 HD2 HIS 63 HD2 HIS 63 22.803 10.114 -11.563 465 HE1 HIS 63 HE1 HIS 63 21.997 11.348 -15.556 466 H SER 64 HN SER 64 26.763 7.940 -11.573 467 HA SER 64 HA SER 64 27.911 5.344 -11.777 468 1HB SER 64 2HB SER 64 28.556 7.849 -10.522 469 2HB SER 64 3HB SER 64 28.526 6.629 -9.264 470 HG SER 64 HG SER 64 30.059 6.540 -11.721 471 H THR 65 HN THR 65 28.097 4.030 -9.568 472 HA THR 65 HA THR 65 25.602 3.037 -8.947 473 HB THR 65 HB THR 65 28.392 2.910 -7.821 474 HG1 THR 65 HG1 THR 65 27.252 1.587 -9.577 475 1HG2 THR 65 1HG2 THR 65 26.771 3.000 -5.802 476 2HG2 THR 65 2HG2 THR 65 26.025 1.529 -6.469 477 3HG2 THR 65 3HG2 THR 65 27.731 1.509 -5.960 478 H ASP 66 HN ASP 66 27.524 5.543 -7.197 479 HA ASP 66 HA ASP 66 26.110 5.848 -4.990 480 1HB ASP 66 2HB ASP 66 27.500 7.721 -6.844 481 2HB ASP 66 3HB ASP 66 26.370 8.501 -5.754 482 H ALA 67 HN ALA 67 25.213 6.958 -8.308 483 HA ALA 67 HA ALA 67 22.901 8.375 -7.528 484 1HB ALA 67 1HB ALA 67 24.224 8.615 -9.675 485 2HB ALA 67 2HB ALA 67 23.510 7.075 -10.210 486 3HB ALA 67 3HB ALA 67 22.463 8.480 -9.896 487 H ARG 68 HN ARG 68 23.512 5.010 -8.708 488 HA ARG 68 HA ARG 68 21.037 4.132 -9.061 489 1HB ARG 68 2HB ARG 68 23.578 2.965 -8.565 490 2HB ARG 68 3HB ARG 68 22.508 2.194 -7.412 491 1HG ARG 68 2HG ARG 68 20.885 1.787 -9.376 492 2HG ARG 68 3HG ARG 68 22.176 2.307 -10.442 493 1HD ARG 68 2HD ARG 68 23.650 0.501 -9.598 494 2HD ARG 68 3HD ARG 68 22.437 0.020 -8.429 495 HE ARG 68 HE ARG 68 21.053 -0.132 -10.808 496 1HH1 ARG 68 1HH1 ARG 68 22.224 -3.126 -12.166 497 2HH1 ARG 68 2HH1 ARG 68 20.940 -1.964 -12.170 498 1HH2 ARG 68 1HH2 ARG 68 24.058 -2.823 -10.778 499 2HH2 ARG 68 2HH2 ARG 68 24.144 -1.436 -9.745 500 H GLU 69 HN GLU 69 22.696 4.667 -5.908 501 HA GLU 69 HA GLU 69 20.654 3.508 -4.376 502 1HB GLU 69 2HB GLU 69 23.038 5.272 -3.819 503 2HB GLU 69 3HB GLU 69 21.846 5.053 -2.553 504 1HG GLU 69 2HG GLU 69 22.939 2.633 -4.018 505 2HG GLU 69 3HG GLU 69 23.885 3.376 -2.743 506 H LEU 70 HN LEU 70 21.546 6.955 -5.108 507 HA LEU 70 HA LEU 70 19.455 8.113 -3.701 508 1HB LEU 70 2HB LEU 70 21.273 8.933 -5.915 509 2HB LEU 70 3HB LEU 70 19.868 9.931 -5.597 510 HG LEU 70 HG LEU 70 20.631 10.622 -3.532 511 1HD1 LEU 70 1HD1 LEU 70 20.954 8.705 -2.284 512 2HD1 LEU 70 2HD1 LEU 70 22.115 8.013 -3.441 513 3HD1 LEU 70 3HD1 LEU 70 22.605 9.362 -2.390 514 1HD2 LEU 70 1HD2 LEU 70 22.623 10.509 -5.630 515 2HD2 LEU 70 2HD2 LEU 70 22.246 11.815 -4.481 516 3HD2 LEU 70 3HD2 LEU 70 23.385 10.526 -4.021 517 H SER 71 HN SER 71 19.652 7.649 -7.306 518 HA SER 71 HA SER 71 17.279 8.355 -8.078 519 1HB SER 71 2HB SER 71 18.711 5.769 -8.803 520 2HB SER 71 3HB SER 71 17.293 6.324 -9.669 521 HG SER 71 HG SER 71 19.323 8.261 -9.328 522 H LYS 72 HN LYS 72 17.884 5.010 -6.763 523 HA LYS 72 HA LYS 72 15.231 4.220 -6.736 524 1HB LYS 72 2HB LYS 72 17.788 3.279 -5.689 525 2HB LYS 72 3HB LYS 72 16.463 2.896 -4.608 526 1HG LYS 72 2HG LYS 72 16.374 1.062 -6.052 527 2HG LYS 72 3HG LYS 72 15.223 2.133 -6.826 528 1HD LYS 72 2HD LYS 72 16.470 1.917 -8.715 529 2HD LYS 72 3HD LYS 72 17.658 2.947 -7.940 530 1HE LYS 72 2HE LYS 72 19.135 1.228 -7.807 531 2HE LYS 72 3HE LYS 72 17.980 0.249 -6.924 532 1HZ LYS 72 1HZ LYS 72 16.957 -0.083 -9.236 533 2HZ LYS 72 2HZ LYS 72 18.416 0.386 -9.799 534 3HZ LYS 72 3HZ LYS 72 18.297 -0.928 -8.836 535 H THR 73 HN THR 73 17.231 5.732 -4.114 536 HA THR 73 HA THR 73 15.197 5.800 -2.207 537 HB THR 73 HB THR 73 17.896 6.934 -2.679 538 HG1 THR 73 HG1 THR 73 16.223 6.191 -0.381 539 1HG2 THR 73 1HG2 THR 73 16.627 9.078 -2.248 540 2HG2 THR 73 2HG2 THR 73 15.955 8.344 -0.772 541 3HG2 THR 73 3HG2 THR 73 17.704 8.644 -0.899 542 H TYR 74 HN TYR 74 15.839 7.865 -5.020 543 HA TYR 74 HA TYR 74 13.753 9.702 -4.105 544 1HB TYR 74 2HB TYR 74 15.969 9.605 -6.220 545 2HB TYR 74 3HB TYR 74 14.694 10.797 -6.368 546 HD1 TYR 74 HD1 TYR 74 17.563 9.700 -4.313 547 HD2 TYR 74 HD2 TYR 74 14.604 12.731 -4.919 548 HE1 TYR 74 HE1 TYR 74 18.822 11.254 -2.743 549 HE2 TYR 74 HE2 TYR 74 15.873 14.274 -3.347 550 HH TYR 74 HH TYR 74 18.921 13.949 -2.577 551 H ILE 75 HN ILE 75 12.851 7.090 -4.781 552 HA ILE 75 HA ILE 75 11.583 7.616 -7.378 553 HB ILE 75 HB ILE 75 13.225 5.631 -7.057 554 1HG1 ILE 75 2HG1 ILE 75 10.505 5.070 -8.262 555 2HG1 ILE 75 3HG1 ILE 75 11.680 6.139 -9.002 556 1HG2 ILE 75 1HG2 ILE 75 11.919 4.940 -4.926 557 2HG2 ILE 75 2HG2 ILE 75 10.767 4.209 -6.068 558 3HG2 ILE 75 3HG2 ILE 75 12.467 3.681 -6.058 559 1HD1 ILE 75 1HD1 ILE 75 12.094 4.039 -10.028 560 2HD1 ILE 75 2HD1 ILE 75 13.358 4.154 -8.779 561 3HD1 ILE 75 3HD1 ILE 75 11.913 3.155 -8.493 562 H ILE 76 HN ILE 76 9.338 7.466 -7.517 563 HA ILE 76 HA ILE 76 7.989 6.916 -4.966 564 HB ILE 76 HB ILE 76 6.553 8.726 -5.252 565 1HG1 ILE 76 2HG1 ILE 76 6.303 8.274 -7.774 566 2HG1 ILE 76 3HG1 ILE 76 6.110 9.917 -7.197 567 1HG2 ILE 76 1HG2 ILE 76 9.389 9.487 -5.958 568 2HG2 ILE 76 2HG2 ILE 76 8.122 10.696 -5.640 569 3HG2 ILE 76 3HG2 ILE 76 8.581 9.533 -4.373 570 1HD1 ILE 76 1HD1 ILE 76 7.539 10.150 -9.074 571 2HD1 ILE 76 2HD1 ILE 76 8.661 10.190 -7.692 572 3HD1 ILE 76 3HD1 ILE 76 8.480 8.699 -8.649 573 H GLY 77 HN GLY 77 7.957 6.844 -8.553 574 1HA GLY 77 1HA GLY 77 6.731 4.363 -8.732 575 2HA GLY 77 2HA GLY 77 5.445 5.551 -8.800 576 H GLU 78 HN GLU 78 5.130 4.709 -11.050 577 HA GLU 78 HA GLU 78 7.064 5.966 -12.838 578 1HB GLU 78 2HB GLU 78 6.864 4.189 -14.376 579 2HB GLU 78 3HB GLU 78 6.894 3.373 -12.825 580 1HG GLU 78 2HG GLU 78 4.404 3.253 -12.823 581 2HG GLU 78 3HG GLU 78 4.350 4.105 -14.353 582 H LEU 79 HN LEU 79 5.960 6.401 -15.117 583 HA LEU 79 HA LEU 79 3.451 7.766 -14.502 584 1HB LEU 79 2HB LEU 79 3.964 9.290 -16.148 585 2HB LEU 79 3HB LEU 79 5.514 8.956 -15.403 586 HG LEU 79 HG LEU 79 5.824 9.090 -17.769 587 1HD1 LEU 79 1HD1 LEU 79 7.104 7.358 -16.531 588 2HD1 LEU 79 2HD1 LEU 79 5.887 6.155 -17.020 589 3HD1 LEU 79 3HD1 LEU 79 6.871 6.978 -18.254 590 1HD2 LEU 79 1HD2 LEU 79 3.247 8.127 -17.982 591 2HD2 LEU 79 2HD2 LEU 79 4.384 8.397 -19.326 592 3HD2 LEU 79 3HD2 LEU 79 4.234 6.779 -18.598 593 H HIS 80 HN HIS 80 1.571 7.469 -15.766 594 HA HIS 80 HA HIS 80 0.868 5.003 -16.453 595 1HB HIS 80 2HB HIS 80 -0.291 7.462 -16.604 596 2HB HIS 80 3HB HIS 80 -0.166 7.070 -18.307 597 HD1 HIS 80 HD1 HIS 80 -2.789 6.869 -18.424 598 HD2 HIS 80 HD2 HIS 80 -0.922 4.082 -15.906 599 HE1 HIS 80 HE1 HIS 80 -4.540 5.086 -17.907 600 HA PRO 81 HA PRO 81 3.407 4.084 -19.888 601 1HB PRO 81 2HB PRO 81 2.708 1.454 -20.143 602 2HB PRO 81 3HB PRO 81 3.954 2.012 -19.045 603 1HG PRO 81 2HG PRO 81 1.204 1.118 -18.429 604 2HG PRO 81 3HG PRO 81 2.577 1.268 -17.350 605 1HD PRO 81 2HD PRO 81 0.351 3.066 -17.556 606 2HD PRO 81 3HD PRO 81 1.779 3.275 -16.562 607 H ASP 82 HN ASP 82 0.140 4.429 -19.764 608 HA ASP 82 HA ASP 82 -0.379 3.436 -22.371 609 1HB ASP 82 2HB ASP 82 -2.238 3.428 -20.879 610 2HB ASP 82 3HB ASP 82 -1.912 5.055 -20.315 611 H ASP 83 HN ASP 83 0.458 6.529 -20.775 612 HA ASP 83 HA ASP 83 0.065 7.934 -23.276 613 1HB ASP 83 2HB ASP 83 0.378 8.710 -20.383 614 2HB ASP 83 3HB ASP 83 0.923 9.868 -21.582 615 H ARG 84 HN ARG 84 2.430 6.207 -21.532 616 HA ARG 84 HA ARG 84 4.646 7.818 -21.723 617 1HB ARG 84 2HB ARG 84 5.926 5.809 -21.313 618 2HB ARG 84 3HB ARG 84 4.401 5.591 -20.476 619 1HG ARG 84 2HG ARG 84 4.236 3.617 -21.598 620 2HG ARG 84 3HG ARG 84 3.816 4.578 -23.001 621 1HD ARG 84 2HD ARG 84 6.519 4.782 -23.174 622 2HD ARG 84 3HD ARG 84 6.430 3.256 -22.317 623 HE ARG 84 HE ARG 84 5.766 3.690 -25.091 624 1HH1 ARG 84 1HH1 ARG 84 4.186 0.610 -25.532 625 2HH1 ARG 84 2HH1 ARG 84 4.894 1.976 -26.326 626 1HH2 ARG 84 1HH2 ARG 84 4.121 0.520 -23.214 627 2HH2 ARG 84 2HH2 ARG 84 4.783 1.820 -22.278 628 H SER 85 HN SER 85 2.817 6.098 -24.167 629 HA SER 85 HA SER 85 5.021 6.446 -26.040 630 1HB SER 85 2HB SER 85 3.683 4.157 -25.589 631 2HB SER 85 3HB SER 85 2.560 4.856 -26.739 632 HG SER 85 HG SER 85 4.482 3.462 -27.524 633 H LYS 86 HN LYS 86 3.715 8.783 -25.315 634 HA LYS 86 HA LYS 86 1.704 9.218 -27.394 635 1HB LYS 86 2HB LYS 86 1.185 9.780 -25.002 636 2HB LYS 86 3HB LYS 86 2.447 10.994 -25.052 637 1HG LYS 86 2HG LYS 86 1.001 11.590 -27.351 638 2HG LYS 86 3HG LYS 86 -0.263 11.034 -26.272 639 1HD LYS 86 2HD LYS 86 0.683 12.628 -24.499 640 2HD LYS 86 3HD LYS 86 1.738 13.276 -25.739 641 1HE LYS 86 2HE LYS 86 -0.930 13.195 -26.832 642 2HE LYS 86 3HE LYS 86 -1.038 13.909 -25.235 643 1HZ LYS 86 1HZ LYS 86 -0.444 15.357 -27.253 644 2HZ LYS 86 2HZ LYS 86 0.325 15.616 -25.835 645 3HZ LYS 86 3HZ LYS 86 1.073 14.793 -27.031 646 H ILE 87 HN ILE 87 4.388 8.788 -28.241 647 HA ILE 87 HA ILE 87 5.332 11.495 -28.812 648 HB ILE 87 HB ILE 87 6.585 8.809 -28.628 649 1HG1 ILE 87 2HG1 ILE 87 8.459 10.453 -27.786 650 2HG1 ILE 87 3HG1 ILE 87 7.143 11.606 -27.684 651 1HG2 ILE 87 1HG2 ILE 87 7.058 9.382 -30.944 652 2HG2 ILE 87 2HG2 ILE 87 7.643 10.988 -30.450 653 3HG2 ILE 87 3HG2 ILE 87 8.529 9.526 -29.951 654 1HD1 ILE 87 1HD1 ILE 87 5.852 9.735 -26.395 655 2HD1 ILE 87 2HD1 ILE 87 7.447 8.965 -26.219 656 3HD1 ILE 87 3HD1 ILE 87 7.163 10.587 -25.542 657 H ALA 88 HN ALA 88 4.849 8.315 -30.512 658 HA ALA 88 HA ALA 88 4.919 9.482 -33.068 659 1HB ALA 88 1HB ALA 88 5.197 7.277 -33.430 660 2HB ALA 88 2HB ALA 88 4.530 6.867 -31.832 661 3HB ALA 88 3HB ALA 88 3.439 7.098 -33.221 662 HHA HEM 95 HA HEM 95 27.090 13.246 -12.791 663 HHB HEM 95 HB HEM 95 22.974 11.164 -8.446 664 HHC HEM 95 HC HEM 95 18.169 12.611 -12.382 665 HHD HEM 95 HD HEM 95 22.333 14.733 -16.656 666 1HMA HEM 95 1HMA HEM 95 25.837 11.671 -7.414 667 2HMA HEM 95 2HMA HEM 95 26.501 10.213 -8.253 668 3HMA HEM 95 3HMA HEM 95 24.763 10.268 -7.830 669 1HAA HEM 95 1HAA HEM 95 27.783 10.712 -11.182 670 2HAA HEM 95 2HAA HEM 95 28.007 11.276 -9.427 671 1HBA HEM 95 1HBA HEM 95 28.847 13.112 -11.481 672 2HBA HEM 95 2HBA HEM 95 29.859 11.814 -10.751 673 1HMB HEM 95 1HMB HEM 95 20.172 11.662 -7.068 674 2HMB HEM 95 2HMB HEM 95 21.273 10.330 -7.618 675 3HMB HEM 95 3HMB HEM 95 19.510 10.122 -7.767 676 HAB HEM 95 HAB HEM 95 17.492 12.440 -9.593 677 1HBB HEM 95 HBB HEM 95 17.690 9.364 -9.748 678 2HBB HEM 95 HBB HEM 95 16.181 10.450 -9.483 679 1HMC HEM 95 1HMC HEM 95 17.039 14.227 -14.525 680 2HMC HEM 95 2HMC HEM 95 17.296 12.445 -14.303 681 3HMC HEM 95 3HMC HEM 95 17.384 13.158 -15.942 682 HAC HEM 95 HAC HEM 95 20.573 14.674 -17.583 683 1HBC HEM 95 HBC HEM 95 17.766 15.366 -16.499 684 2HBC HEM 95 HBC HEM 95 18.475 15.721 -18.201 685 1HMD HEM 95 1HMD HEM 95 24.685 16.488 -16.719 686 2HMD HEM 95 2HMD HEM 95 24.483 14.981 -17.704 687 3HMD HEM 95 3HMD HEM 95 26.130 15.531 -17.217 688 1HAD HEM 95 1HAD HEM 95 27.864 14.735 -13.963 689 2HAD HEM 95 2HAD HEM 95 27.588 15.469 -15.567 690 1HBD HEM 95 1HBD HEM 95 27.900 13.229 -16.671 691 2HBD HEM 95 2HBD HEM 95 28.082 12.441 -15.094 Start of MODEL 3 1 H VAL 4 HN VAL 4 2.195 -0.992 -8.268 2 HA VAL 4 HA VAL 4 4.172 1.000 -7.394 3 HB VAL 4 HB VAL 4 4.619 -0.690 -9.360 4 1HG1 VAL 4 1HG1 VAL 4 3.079 1.503 -10.790 5 2HG1 VAL 4 2HG1 VAL 4 3.954 0.149 -11.545 6 3HG1 VAL 4 3HG1 VAL 4 2.510 -0.167 -10.553 7 1HG2 VAL 4 1HG2 VAL 4 5.335 1.996 -10.301 8 2HG2 VAL 4 2HG2 VAL 4 5.673 1.738 -8.573 9 3HG2 VAL 4 3HG2 VAL 4 6.373 0.643 -9.789 10 H LYS 5 HN LYS 5 3.827 3.163 -8.666 11 HA LYS 5 HA LYS 5 0.930 3.659 -8.728 12 1HB LYS 5 2HB LYS 5 3.081 4.945 -7.243 13 2HB LYS 5 3HB LYS 5 2.221 6.096 -8.246 14 1HG LYS 5 2HG LYS 5 0.585 4.111 -6.671 15 2HG LYS 5 3HG LYS 5 1.345 5.422 -5.789 16 1HD LYS 5 2HD LYS 5 -0.824 6.240 -6.405 17 2HD LYS 5 3HD LYS 5 0.300 7.037 -7.488 18 1HE LYS 5 2HE LYS 5 -0.309 5.667 -9.340 19 2HE LYS 5 3HE LYS 5 -0.989 4.418 -8.317 20 1HZ LYS 5 1HZ LYS 5 -2.749 5.936 -7.725 21 2HZ LYS 5 2HZ LYS 5 -2.112 7.112 -8.662 22 3HZ LYS 5 3HZ LYS 5 -2.691 5.746 -9.345 23 H TYR 6 HN TYR 6 0.113 4.278 -10.656 24 HA TYR 6 HA TYR 6 2.050 5.004 -12.728 25 1HB TYR 6 2HB TYR 6 -0.927 4.201 -12.714 26 2HB TYR 6 3HB TYR 6 0.011 4.447 -14.172 27 HD1 TYR 6 HD1 TYR 6 2.487 3.046 -13.781 28 HD2 TYR 6 HD2 TYR 6 -1.430 1.955 -12.450 29 HE1 TYR 6 HE1 TYR 6 3.174 0.598 -13.746 30 HE2 TYR 6 HE2 TYR 6 -0.730 -0.490 -12.420 31 HH TYR 6 HH TYR 6 2.538 -1.432 -12.683 32 H TYR 7 HN TYR 7 2.372 7.159 -12.994 33 HA TYR 7 HA TYR 7 0.131 8.945 -12.401 34 1HB TYR 7 2HB TYR 7 3.067 9.530 -13.106 35 2HB TYR 7 3HB TYR 7 1.963 10.609 -12.275 36 HD1 TYR 7 HD1 TYR 7 4.746 8.691 -11.758 37 HD2 TYR 7 HD2 TYR 7 0.869 9.306 -10.059 38 HE1 TYR 7 HE1 TYR 7 5.585 7.834 -9.517 39 HE2 TYR 7 HE2 TYR 7 1.720 8.447 -7.823 40 HH TYR 7 HH TYR 7 4.855 6.972 -7.535 41 H THR 8 HN THR 8 -0.520 10.594 -13.898 42 HA THR 8 HA THR 8 -0.308 9.729 -16.637 43 HB THR 8 HB THR 8 -1.833 11.877 -16.827 44 HG1 THR 8 HG1 THR 8 -1.014 12.590 -14.657 45 1HG2 THR 8 1HG2 THR 8 -2.669 9.429 -16.628 46 2HG2 THR 8 2HG2 THR 8 -2.803 9.732 -14.879 47 3HG2 THR 8 3HG2 THR 8 -3.778 10.684 -16.025 48 H LEU 9 HN LEU 9 0.449 10.997 -18.416 49 HA LEU 9 HA LEU 9 2.956 12.082 -17.991 50 1HB LEU 9 2HB LEU 9 3.024 12.421 -20.249 51 2HB LEU 9 3HB LEU 9 1.830 11.147 -20.105 52 HG LEU 9 HG LEU 9 1.227 14.092 -20.502 53 1HD1 LEU 9 1HD1 LEU 9 1.609 11.817 -22.375 54 2HD1 LEU 9 2HD1 LEU 9 0.256 12.924 -22.710 55 3HD1 LEU 9 3HD1 LEU 9 1.915 13.557 -22.593 56 1HD2 LEU 9 1HD2 LEU 9 -0.562 11.689 -20.156 57 2HD2 LEU 9 2HD2 LEU 9 -0.598 13.249 -19.300 58 3HD2 LEU 9 3HD2 LEU 9 -1.104 13.157 -21.003 59 H GLU 10 HN GLU 10 -0.186 13.418 -17.400 60 HA GLU 10 HA GLU 10 0.412 16.097 -17.876 61 1HB GLU 10 2HB GLU 10 -1.761 14.527 -16.734 62 2HB GLU 10 3HB GLU 10 -1.490 15.963 -15.766 63 1HG GLU 10 2HG GLU 10 -1.899 15.930 -18.796 64 2HG GLU 10 3HG GLU 10 -3.115 16.379 -17.616 65 H GLU 11 HN GLU 11 0.990 13.895 -15.129 66 HA GLU 11 HA GLU 11 1.496 15.833 -13.222 67 1HB GLU 11 2HB GLU 11 1.781 12.949 -13.510 68 2HB GLU 11 3HB GLU 11 3.173 13.602 -12.670 69 1HG GLU 11 2HG GLU 11 1.786 13.395 -10.839 70 2HG GLU 11 3HG GLU 11 1.251 14.982 -11.354 71 H ILE 12 HN ILE 12 4.013 13.737 -14.807 72 HA ILE 12 HA ILE 12 6.227 15.026 -14.125 73 HB ILE 12 HB ILE 12 6.782 14.520 -16.744 74 1HG1 ILE 12 2HG1 ILE 12 4.181 13.867 -16.747 75 2HG1 ILE 12 3HG1 ILE 12 5.374 13.065 -17.748 76 1HG2 ILE 12 1HG2 ILE 12 6.822 12.945 -14.216 77 2HG2 ILE 12 2HG2 ILE 12 7.123 12.073 -15.738 78 3HG2 ILE 12 3HG2 ILE 12 8.154 13.450 -15.284 79 1HD1 ILE 12 1HD1 ILE 12 4.977 12.010 -14.957 80 2HD1 ILE 12 2HD1 ILE 12 3.714 11.675 -16.166 81 3HD1 ILE 12 3HD1 ILE 12 5.387 11.135 -16.451 82 H GLN 13 HN GLN 13 3.896 16.116 -16.643 83 HA GLN 13 HA GLN 13 5.423 18.209 -17.584 84 1HB GLN 13 2HB GLN 13 2.441 17.673 -17.480 85 2HB GLN 13 3HB GLN 13 3.043 19.177 -18.145 86 1HG GLN 13 2HG GLN 13 4.588 16.949 -19.218 87 2HG GLN 13 3HG GLN 13 2.878 16.643 -19.449 88 1HE2 GLN 13 1HE2 GLN 13 3.876 16.861 -21.706 89 2HE2 GLN 13 2HE2 GLN 13 3.756 18.416 -22.461 90 H LYS 14 HN LYS 14 2.421 18.723 -15.613 91 HA LYS 14 HA LYS 14 2.996 21.244 -14.792 92 1HB LYS 14 2HB LYS 14 1.410 20.834 -12.957 93 2HB LYS 14 3HB LYS 14 0.828 20.216 -14.490 94 1HG LYS 14 2HG LYS 14 1.912 17.942 -13.745 95 2HG LYS 14 3HG LYS 14 1.956 18.649 -12.142 96 1HD LYS 14 2HD LYS 14 -0.605 19.222 -12.666 97 2HD LYS 14 3HD LYS 14 -0.446 17.924 -13.832 98 1HE LYS 14 2HE LYS 14 -0.745 16.426 -12.156 99 2HE LYS 14 3HE LYS 14 0.773 16.947 -11.450 100 1HZ LYS 14 1HZ LYS 14 -1.633 18.522 -10.984 101 2HZ LYS 14 2HZ LYS 14 -1.380 17.163 -10.115 102 3HZ LYS 14 3HZ LYS 14 -0.299 18.385 -10.054 103 H HIS 15 HN HIS 15 4.468 18.219 -13.756 104 HA HIS 15 HA HIS 15 5.683 19.541 -11.476 105 1HB HIS 15 2HB HIS 15 5.815 16.665 -12.424 106 2HB HIS 15 3HB HIS 15 6.567 17.281 -10.966 107 HD1 HIS 15 HD1 HIS 15 4.482 18.802 -9.513 108 HD2 HIS 15 HD2 HIS 15 3.535 15.363 -11.721 109 HE1 HIS 15 HE1 HIS 15 2.277 17.931 -8.569 110 H LYS 16 HN LYS 16 6.396 20.747 -13.885 111 HA LYS 16 HA LYS 16 9.075 19.661 -14.390 112 1HB LYS 16 2HB LYS 16 7.508 19.786 -16.331 113 2HB LYS 16 3HB LYS 16 7.428 21.525 -16.124 114 1HG LYS 16 2HG LYS 16 9.653 21.857 -16.800 115 2HG LYS 16 3HG LYS 16 10.158 20.253 -16.309 116 1HD LYS 16 2HD LYS 16 10.069 19.812 -18.560 117 2HD LYS 16 3HD LYS 16 8.362 19.567 -18.246 118 1HE LYS 16 2HE LYS 16 7.758 21.695 -19.098 119 2HE LYS 16 3HE LYS 16 9.360 22.362 -18.858 120 1HZ LYS 16 1HZ LYS 16 10.144 21.312 -20.714 121 2HZ LYS 16 2HZ LYS 16 9.002 20.145 -20.712 122 3HZ LYS 16 3HZ LYS 16 8.620 21.660 -21.188 123 H ASP 17 HN ASP 17 8.084 21.327 -12.049 124 HA ASP 17 HA ASP 17 9.813 23.619 -12.563 125 1HB ASP 17 2HB ASP 17 7.397 23.318 -10.724 126 2HB ASP 17 3HB ASP 17 8.499 24.676 -10.616 127 H SER 18 HN SER 18 10.759 24.462 -10.303 128 HA SER 18 HA SER 18 12.307 22.460 -9.254 129 1HB SER 18 2HB SER 18 11.793 25.305 -8.732 130 2HB SER 18 3HB SER 18 12.176 24.441 -7.256 131 HG SER 18 HG SER 18 13.940 23.529 -9.021 132 H LYS 19 HN LYS 19 9.316 24.035 -7.935 133 HA LYS 19 HA LYS 19 9.146 22.884 -5.503 134 1HB LYS 19 2HB LYS 19 6.692 23.077 -5.750 135 2HB LYS 19 3HB LYS 19 7.549 24.511 -6.277 136 1HG LYS 19 2HG LYS 19 7.348 23.813 -8.642 137 2HG LYS 19 3HG LYS 19 6.603 22.301 -8.162 138 1HD LYS 19 2HD LYS 19 4.575 23.307 -8.206 139 2HD LYS 19 3HD LYS 19 5.077 24.344 -6.886 140 1HE LYS 19 2HE LYS 19 6.181 25.867 -8.636 141 2HE LYS 19 3HE LYS 19 5.407 24.894 -9.870 142 1HZ LYS 19 1HZ LYS 19 3.659 26.176 -9.562 143 2HZ LYS 19 2HZ LYS 19 3.432 25.489 -8.098 144 3HZ LYS 19 3HZ LYS 19 4.279 26.879 -8.225 145 H SER 20 HN SER 20 8.240 21.378 -8.664 146 HA SER 20 HA SER 20 8.568 18.824 -7.338 147 1HB SER 20 2HB SER 20 6.124 19.733 -8.894 148 2HB SER 20 3HB SER 20 6.527 18.033 -8.765 149 HG SER 20 HG SER 20 5.021 19.008 -7.089 150 H THR 21 HN THR 21 10.455 18.267 -8.447 151 HA THR 21 HA THR 21 10.387 18.525 -11.375 152 HB THR 21 HB THR 21 12.574 18.448 -9.258 153 HG1 THR 21 HG1 THR 21 11.783 20.047 -11.590 154 1HG2 THR 21 1HG2 THR 21 13.429 18.715 -12.080 155 2HG2 THR 21 2HG2 THR 21 14.177 17.782 -10.762 156 3HG2 THR 21 3HG2 THR 21 12.833 17.084 -11.694 157 H TRP 22 HN TRP 22 9.646 16.778 -12.401 158 HA TRP 22 HA TRP 22 10.439 14.176 -11.281 159 1HB TRP 22 2HB TRP 22 7.888 15.164 -12.453 160 2HB TRP 22 3HB TRP 22 8.362 13.517 -12.822 161 HD1 TRP 22 HD1 TRP 22 9.313 14.768 -9.343 162 HE1 TRP 22 HE1 TRP 22 7.861 13.625 -7.460 163 HE3 TRP 22 HE3 TRP 22 5.999 12.560 -12.505 164 HZ2 TRP 22 HZ2 TRP 22 5.542 11.962 -7.503 165 HZ3 TRP 22 HZ3 TRP 22 4.171 11.193 -11.503 166 HH2 TRP 22 HH2 TRP 22 3.912 10.877 -9.092 167 H VAL 23 HN VAL 23 10.873 12.487 -12.966 168 HA VAL 23 HA VAL 23 11.275 13.394 -15.656 169 HB VAL 23 HB VAL 23 13.252 14.317 -14.588 170 1HG1 VAL 23 1HG1 VAL 23 13.283 12.685 -12.670 171 2HG1 VAL 23 2HG1 VAL 23 14.006 11.494 -13.777 172 3HG1 VAL 23 3HG1 VAL 23 14.871 13.004 -13.407 173 1HG2 VAL 23 1HG2 VAL 23 14.792 12.295 -15.855 174 2HG2 VAL 23 2HG2 VAL 23 13.250 12.411 -16.737 175 3HG2 VAL 23 3HG2 VAL 23 14.263 13.858 -16.520 176 H ILE 24 HN ILE 24 10.649 11.710 -16.898 177 HA ILE 24 HA ILE 24 10.203 9.176 -15.729 178 HB ILE 24 HB ILE 24 10.132 10.143 -18.588 179 1HG1 ILE 24 2HG1 ILE 24 7.666 9.458 -17.082 180 2HG1 ILE 24 3HG1 ILE 24 8.506 10.904 -16.559 181 1HG2 ILE 24 1HG2 ILE 24 10.422 7.553 -17.963 182 2HG2 ILE 24 2HG2 ILE 24 8.658 7.696 -17.767 183 3HG2 ILE 24 3HG2 ILE 24 9.418 8.121 -19.319 184 1HD1 ILE 24 1HD1 ILE 24 8.406 10.794 -19.478 185 2HD1 ILE 24 2HD1 ILE 24 6.775 10.660 -18.779 186 3HD1 ILE 24 3HD1 ILE 24 7.803 12.057 -18.379 187 H LEU 25 HN LEU 25 11.871 7.918 -15.061 188 HA LEU 25 HA LEU 25 14.109 7.642 -16.947 189 1HB LEU 25 2HB LEU 25 14.038 8.281 -14.119 190 2HB LEU 25 3HB LEU 25 14.977 6.832 -14.418 191 HG LEU 25 HG LEU 25 16.527 7.962 -15.787 192 1HD1 LEU 25 1HD1 LEU 25 15.920 10.601 -16.093 193 2HD1 LEU 25 2HD1 LEU 25 15.621 9.338 -17.310 194 3HD1 LEU 25 3HD1 LEU 25 14.310 9.853 -16.223 195 1HD2 LEU 25 1HD2 LEU 25 15.758 9.767 -13.480 196 2HD2 LEU 25 2HD2 LEU 25 16.907 8.409 -13.457 197 3HD2 LEU 25 3HD2 LEU 25 17.284 9.877 -14.390 198 H HIS 26 HN HIS 26 14.286 5.675 -17.871 199 HA HIS 26 HA HIS 26 13.626 3.611 -18.386 200 1HB HIS 26 2HB HIS 26 14.198 2.145 -16.111 201 2HB HIS 26 3HB HIS 26 15.321 2.579 -17.384 202 HD1 HIS 26 HD1 HIS 26 16.554 5.055 -16.955 203 HD2 HIS 26 HD2 HIS 26 14.948 3.047 -13.640 204 HE1 HIS 26 HE1 HIS 26 17.668 6.070 -14.896 205 H HIS 27 HN HIS 27 11.308 4.831 -18.086 206 HA HIS 27 HA HIS 27 9.197 4.669 -17.498 207 1HB HIS 27 2HB HIS 27 9.679 1.736 -16.968 208 2HB HIS 27 3HB HIS 27 8.214 2.508 -17.540 209 HD1 HIS 27 HD1 HIS 27 11.798 1.888 -18.744 210 HD2 HIS 27 HD2 HIS 27 7.942 2.515 -20.269 211 HE1 HIS 27 HE1 HIS 27 11.967 1.563 -21.270 212 H LYS 28 HN LYS 28 10.551 5.811 -15.485 213 HA LYS 28 HA LYS 28 8.998 5.142 -13.234 214 1HB LYS 28 2HB LYS 28 11.593 3.811 -13.470 215 2HB LYS 28 3HB LYS 28 11.468 4.773 -12.011 216 1HG LYS 28 2HG LYS 28 9.728 3.496 -11.136 217 2HG LYS 28 3HG LYS 28 9.080 3.092 -12.714 218 1HD LYS 28 2HD LYS 28 10.125 1.085 -12.585 219 2HD LYS 28 3HD LYS 28 11.665 1.917 -12.664 220 1HE LYS 28 2HE LYS 28 11.706 2.157 -10.199 221 2HE LYS 28 3HE LYS 28 10.111 1.443 -10.076 222 1HZ LYS 28 1HZ LYS 28 11.296 -0.412 -9.826 223 2HZ LYS 28 2HZ LYS 28 11.397 -0.411 -11.455 224 3HZ LYS 28 3HZ LYS 28 12.633 0.169 -10.561 225 H VAL 29 HN VAL 29 8.427 7.283 -13.084 226 HA VAL 29 HA VAL 29 10.119 9.417 -13.581 227 HB VAL 29 HB VAL 29 8.435 10.756 -12.540 228 1HG1 VAL 29 1HG1 VAL 29 6.663 8.612 -13.589 229 2HG1 VAL 29 2HG1 VAL 29 6.794 10.326 -14.051 230 3HG1 VAL 29 3HG1 VAL 29 7.979 9.147 -14.662 231 1HG2 VAL 29 1HG2 VAL 29 6.918 8.392 -11.492 232 2HG2 VAL 29 2HG2 VAL 29 8.284 9.026 -10.543 233 3HG2 VAL 29 3HG2 VAL 29 6.913 10.087 -10.948 234 H TYR 30 HN TYR 30 11.493 10.684 -12.314 235 HA TYR 30 HA TYR 30 12.089 9.537 -9.669 236 1HB TYR 30 2HB TYR 30 13.668 10.702 -12.005 237 2HB TYR 30 3HB TYR 30 14.339 10.895 -10.397 238 HD1 TYR 30 HD1 TYR 30 12.446 7.886 -10.597 239 HD2 TYR 30 HD2 TYR 30 16.247 9.575 -11.598 240 HE1 TYR 30 HE1 TYR 30 13.453 5.555 -10.736 241 HE2 TYR 30 HE2 TYR 30 17.241 7.239 -11.735 242 HH TYR 30 HH TYR 30 15.242 4.386 -11.032 243 H ASP 31 HN ASP 31 11.166 10.827 -8.137 244 HA ASP 31 HA ASP 31 10.738 13.570 -8.657 245 1HB ASP 31 2HB ASP 31 9.226 12.234 -7.217 246 2HB ASP 31 3HB ASP 31 10.537 11.916 -6.098 247 H LEU 32 HN LEU 32 13.119 14.070 -9.104 248 HA LEU 32 HA LEU 32 14.802 14.041 -6.732 249 1HB LEU 32 2HB LEU 32 16.607 14.545 -8.220 250 2HB LEU 32 3HB LEU 32 15.695 13.178 -8.829 251 HG LEU 32 HG LEU 32 14.625 15.552 -10.019 252 1HD1 LEU 32 1HD1 LEU 32 17.439 15.401 -10.914 253 2HD1 LEU 32 2HD1 LEU 32 16.349 16.799 -10.756 254 3HD1 LEU 32 3HD1 LEU 32 17.174 16.146 -9.320 255 1HD2 LEU 32 1HD2 LEU 32 16.169 13.173 -11.073 256 2HD2 LEU 32 2HD2 LEU 32 14.407 13.427 -11.063 257 3HD2 LEU 32 3HD2 LEU 32 15.442 14.421 -12.114 258 H THR 33 HN THR 33 12.593 15.671 -6.370 259 HA THR 33 HA THR 33 13.035 18.331 -7.227 260 HB THR 33 HB THR 33 11.430 17.149 -4.897 261 HG1 THR 33 HG1 THR 33 11.041 16.438 -7.201 262 1HG2 THR 33 1HG2 THR 33 10.492 19.560 -6.378 263 2HG2 THR 33 2HG2 THR 33 10.415 19.206 -4.635 264 3HG2 THR 33 3HG2 THR 33 11.917 19.842 -5.350 265 H LYS 34 HN LYS 34 13.789 16.595 -4.142 266 HA LYS 34 HA LYS 34 15.007 18.899 -3.018 267 1HB LYS 34 2HB LYS 34 15.553 16.097 -2.081 268 2HB LYS 34 3HB LYS 34 15.393 17.570 -1.147 269 1HG LYS 34 2HG LYS 34 13.231 16.996 -0.765 270 2HG LYS 34 3HG LYS 34 12.908 17.340 -2.453 271 1HD LYS 34 2HD LYS 34 14.104 14.749 -2.409 272 2HD LYS 34 3HD LYS 34 12.954 14.764 -1.086 273 1HE LYS 34 2HE LYS 34 11.521 16.018 -3.128 274 2HE LYS 34 3HE LYS 34 12.461 14.832 -4.010 275 1HZ LYS 34 1HZ LYS 34 11.659 13.179 -2.391 276 2HZ LYS 34 2HZ LYS 34 10.672 14.306 -1.743 277 3HZ LYS 34 3HZ LYS 34 10.465 13.832 -3.292 278 H TYR 35 HN TYR 35 16.096 16.102 -4.961 279 HA TYR 35 HA TYR 35 18.867 16.898 -4.640 280 1HB TYR 35 2HB TYR 35 18.008 14.491 -4.690 281 2HB TYR 35 3HB TYR 35 17.379 14.769 -6.302 282 HD1 TYR 35 HD1 TYR 35 18.780 14.596 -8.228 283 HD2 TYR 35 HD2 TYR 35 20.507 14.509 -4.314 284 HE1 TYR 35 HE1 TYR 35 21.003 13.854 -9.216 285 HE2 TYR 35 HE2 TYR 35 22.722 13.768 -5.316 286 HH TYR 35 HH TYR 35 23.490 14.102 -8.434 287 H LEU 36 HN LEU 36 16.562 18.450 -6.164 288 HA LEU 36 HA LEU 36 17.398 18.379 -8.877 289 1HB LEU 36 2HB LEU 36 15.155 18.959 -8.377 290 2HB LEU 36 3HB LEU 36 15.643 20.217 -7.259 291 HG LEU 36 HG LEU 36 14.754 21.020 -9.460 292 1HD1 LEU 36 1HD1 LEU 36 16.834 22.011 -7.895 293 2HD1 LEU 36 2HD1 LEU 36 17.420 22.170 -9.568 294 3HD1 LEU 36 3HD1 LEU 36 15.871 22.908 -9.094 295 1HD2 LEU 36 1HD2 LEU 36 17.183 19.565 -10.461 296 2HD2 LEU 36 2HD2 LEU 36 15.523 19.589 -11.103 297 3HD2 LEU 36 3HD2 LEU 36 16.581 21.005 -11.316 298 H GLU 37 HN GLU 37 18.037 20.529 -6.044 299 HA GLU 37 HA GLU 37 19.875 22.035 -7.671 300 1HB GLU 37 2HB GLU 37 18.832 22.334 -4.832 301 2HB GLU 37 3HB GLU 37 20.155 23.318 -5.427 302 1HG GLU 37 2HG GLU 37 18.545 23.822 -7.460 303 2HG GLU 37 3HG GLU 37 17.280 23.243 -6.394 304 H GLU 38 HN GLU 38 19.905 19.178 -5.843 305 HA GLU 38 HA GLU 38 22.522 19.571 -4.752 306 1HB GLU 38 2HB GLU 38 20.385 18.017 -4.007 307 2HB GLU 38 3HB GLU 38 21.359 16.828 -4.848 308 1HG GLU 38 2HG GLU 38 22.674 16.653 -3.012 309 2HG GLU 38 3HG GLU 38 23.199 18.307 -3.261 310 H HIS 39 HN HIS 39 21.023 18.340 -7.680 311 HA HIS 39 HA HIS 39 22.829 16.478 -8.522 312 1HB HIS 39 2HB HIS 39 20.631 17.274 -9.575 313 2HB HIS 39 3HB HIS 39 21.573 18.535 -10.345 314 HD1 HIS 39 HD1 HIS 39 21.662 17.808 -12.749 315 HD2 HIS 39 HD2 HIS 39 22.587 14.689 -10.100 316 HE1 HIS 39 HE1 HIS 39 22.390 15.835 -14.194 317 HA PRO 40 HA PRO 40 26.447 18.883 -8.906 318 1HB PRO 40 2HB PRO 40 28.136 16.878 -9.680 319 2HB PRO 40 3HB PRO 40 27.750 17.213 -8.004 320 1HG PRO 40 2HG PRO 40 26.784 15.011 -9.723 321 2HG PRO 40 3HG PRO 40 26.761 15.129 -7.974 322 1HD PRO 40 2HD PRO 40 24.538 15.498 -9.748 323 2HD PRO 40 3HD PRO 40 24.543 15.730 -8.012 324 H GLY 41 HN GLY 41 25.180 16.868 -11.427 325 1HA GLY 41 1HA GLY 41 26.814 17.791 -13.515 326 2HA GLY 41 2HA GLY 41 25.216 17.085 -13.663 327 H GLY 42 HN GLY 42 23.346 18.671 -12.842 328 1HA GLY 42 1HA GLY 42 23.787 21.464 -13.050 329 2HA GLY 42 2HA GLY 42 23.239 20.826 -14.588 330 H GLU 43 HN GLU 43 21.892 22.614 -12.517 331 HA GLU 43 HA GLU 43 19.779 20.921 -11.563 332 1HB GLU 43 2HB GLU 43 18.920 23.035 -10.531 333 2HB GLU 43 3HB GLU 43 20.575 22.680 -10.078 334 1HG GLU 43 2HG GLU 43 20.778 24.207 -12.466 335 2HG GLU 43 3HG GLU 43 19.516 24.988 -11.535 336 H GLU 44 HN GLU 44 20.559 22.435 -14.476 337 HA GLU 44 HA GLU 44 17.794 23.064 -15.076 338 1HB GLU 44 2HB GLU 44 19.817 24.612 -15.626 339 2HB GLU 44 3HB GLU 44 20.171 23.487 -16.921 340 1HG GLU 44 2HG GLU 44 18.790 25.010 -18.036 341 2HG GLU 44 3HG GLU 44 17.617 23.803 -17.550 342 H VAL 45 HN VAL 45 20.604 21.195 -16.431 343 HA VAL 45 HA VAL 45 19.480 19.979 -18.531 344 HB VAL 45 HB VAL 45 21.644 19.388 -18.244 345 1HG1 VAL 45 1HG1 VAL 45 22.245 18.346 -15.788 346 2HG1 VAL 45 2HG1 VAL 45 22.449 20.055 -16.244 347 3HG1 VAL 45 3HG1 VAL 45 20.990 19.535 -15.367 348 1HG2 VAL 45 1HG2 VAL 45 20.641 16.972 -16.756 349 2HG2 VAL 45 2HG2 VAL 45 20.076 17.299 -18.412 350 3HG2 VAL 45 3HG2 VAL 45 21.813 17.078 -18.092 351 H LEU 46 HN LEU 46 18.645 19.517 -15.123 352 HA LEU 46 HA LEU 46 17.145 17.122 -15.651 353 1HB LEU 46 2HB LEU 46 16.972 18.783 -13.159 354 2HB LEU 46 3HB LEU 46 16.738 17.057 -13.358 355 HG LEU 46 HG LEU 46 19.445 18.209 -13.928 356 1HD1 LEU 46 1HD1 LEU 46 18.544 17.544 -11.117 357 2HD1 LEU 46 2HD1 LEU 46 20.111 18.204 -11.644 358 3HD1 LEU 46 3HD1 LEU 46 18.642 19.201 -11.759 359 1HD2 LEU 46 1HD2 LEU 46 18.246 15.575 -13.365 360 2HD2 LEU 46 2HD2 LEU 46 19.683 16.012 -14.321 361 3HD2 LEU 46 3HD2 LEU 46 19.797 15.888 -12.549 362 H ARG 47 HN ARG 47 16.341 20.509 -14.598 363 HA ARG 47 HA ARG 47 13.623 20.148 -14.896 364 1HB ARG 47 2HB ARG 47 15.358 22.662 -15.016 365 2HB ARG 47 3HB ARG 47 13.606 22.724 -15.009 366 1HG ARG 47 2HG ARG 47 13.721 21.281 -12.850 367 2HG ARG 47 3HG ARG 47 15.436 21.644 -12.825 368 1HD ARG 47 2HD ARG 47 13.367 23.868 -13.042 369 2HD ARG 47 3HD ARG 47 13.827 23.212 -11.484 370 HE ARG 47 HE ARG 47 16.273 23.749 -12.610 371 1HH1 ARG 47 1HH1 ARG 47 16.526 27.217 -12.317 372 2HH1 ARG 47 2HH1 ARG 47 17.400 25.735 -12.506 373 1HH2 ARG 47 1HH2 ARG 47 14.210 27.188 -12.168 374 2HH2 ARG 47 2HH2 ARG 47 13.356 25.683 -12.247 375 H GLU 48 HN GLU 48 16.108 21.614 -17.105 376 HA GLU 48 HA GLU 48 14.686 22.566 -19.088 377 1HB GLU 48 2HB GLU 48 16.549 22.254 -20.471 378 2HB GLU 48 3HB GLU 48 17.257 22.091 -18.876 379 1HG GLU 48 2HG GLU 48 17.151 19.631 -19.026 380 2HG GLU 48 3HG GLU 48 16.293 19.725 -20.551 381 H GLN 49 HN GLN 49 15.016 19.091 -18.301 382 HA GLN 49 HA GLN 49 12.789 18.608 -20.077 383 1HB GLN 49 2HB GLN 49 13.906 16.541 -20.983 384 2HB GLN 49 3HB GLN 49 14.663 18.033 -21.500 385 1HG GLN 49 2HG GLN 49 16.254 17.728 -19.452 386 2HG GLN 49 3HG GLN 49 15.638 16.089 -19.371 387 1HE2 GLN 49 1HE2 GLN 49 15.593 14.912 -21.522 388 2HE2 GLN 49 2HE2 GLN 49 16.998 15.038 -22.526 389 H ALA 50 HN ALA 50 12.600 18.874 -17.337 390 HA ALA 50 HA ALA 50 13.060 16.490 -15.918 391 1HB ALA 50 1HB ALA 50 12.808 18.305 -14.521 392 2HB ALA 50 2HB ALA 50 11.546 19.047 -15.533 393 3HB ALA 50 3HB ALA 50 11.144 17.678 -14.471 394 H GLY 51 HN GLY 51 9.747 17.823 -16.264 395 1HA GLY 51 1HA GLY 51 8.366 15.503 -16.094 396 2HA GLY 51 2HA GLY 51 7.833 16.892 -17.019 397 H GLY 52 HN GLY 52 10.174 16.751 -18.917 398 1HA GLY 52 1HA GLY 52 9.007 15.192 -20.921 399 2HA GLY 52 2HA GLY 52 10.630 15.853 -20.925 400 H ASP 53 HN ASP 53 11.888 14.144 -21.629 401 HA ASP 53 HA ASP 53 11.794 11.795 -19.916 402 1HB ASP 53 2HB ASP 53 12.160 10.346 -21.869 403 2HB ASP 53 3HB ASP 53 10.683 11.266 -22.076 404 H ALA 54 HN ALA 54 13.812 11.800 -18.906 405 HA ALA 54 HA ALA 54 16.099 12.719 -20.507 406 1HB ALA 54 1HB ALA 54 16.100 12.541 -17.498 407 2HB ALA 54 2HB ALA 54 17.015 13.630 -18.568 408 3HB ALA 54 3HB ALA 54 15.278 13.903 -18.296 409 H THR 55 HN THR 55 14.720 9.995 -20.395 410 HA THR 55 HA THR 55 16.117 8.182 -18.867 411 HB THR 55 HB THR 55 14.877 8.025 -21.659 412 HG1 THR 55 HG1 THR 55 14.193 7.329 -18.891 413 1HG2 THR 55 1HG2 THR 55 16.594 6.101 -20.749 414 2HG2 THR 55 2HG2 THR 55 15.116 5.615 -19.883 415 3HG2 THR 55 3HG2 THR 55 15.115 5.712 -21.661 416 H GLU 56 HN GLU 56 16.840 8.771 -22.372 417 HA GLU 56 HA GLU 56 19.305 7.523 -22.180 418 1HB GLU 56 2HB GLU 56 18.291 9.572 -24.200 419 2HB GLU 56 3HB GLU 56 19.737 8.606 -24.416 420 1HG GLU 56 2HG GLU 56 18.506 6.564 -24.553 421 2HG GLU 56 3HG GLU 56 17.078 7.265 -23.818 422 H ASN 57 HN ASN 57 18.281 10.941 -21.799 423 HA ASN 57 HA ASN 57 20.788 12.073 -21.877 424 1HB ASN 57 2HB ASN 57 18.108 12.806 -20.715 425 2HB ASN 57 3HB ASN 57 19.482 13.712 -20.115 426 1HD2 ASN 57 1HD2 ASN 57 17.600 12.828 -22.928 427 2HD2 ASN 57 2HD2 ASN 57 18.117 14.103 -23.982 428 H PHE 58 HN PHE 58 19.208 10.017 -19.529 429 HA PHE 58 HA PHE 58 20.945 10.897 -17.367 430 1HB PHE 58 2HB PHE 58 18.704 10.480 -16.639 431 2HB PHE 58 3HB PHE 58 18.476 9.175 -17.787 432 HD1 PHE 58 HD1 PHE 58 19.288 10.021 -14.417 433 HD2 PHE 58 HD2 PHE 58 19.698 6.972 -17.340 434 HE1 PHE 58 HE1 PHE 58 19.752 8.346 -12.606 435 HE2 PHE 58 HE2 PHE 58 20.163 5.298 -15.530 436 HZ PHE 58 HZ PHE 58 20.184 6.005 -13.184 437 H GLU 59 HN GLU 59 20.262 8.064 -19.485 438 HA GLU 59 HA GLU 59 22.183 6.466 -18.143 439 1HB GLU 59 2HB GLU 59 20.741 6.088 -20.805 440 2HB GLU 59 3HB GLU 59 21.746 4.869 -20.046 441 1HG GLU 59 2HG GLU 59 20.222 5.149 -17.955 442 2HG GLU 59 3HG GLU 59 19.135 6.039 -19.003 443 H ASP 60 HN ASP 60 22.086 8.612 -20.993 444 HA ASP 60 HA ASP 60 24.360 7.743 -22.249 445 1HB ASP 60 2HB ASP 60 22.693 9.449 -23.093 446 2HB ASP 60 3HB ASP 60 23.365 10.619 -21.974 447 H VAL 61 HN VAL 61 23.829 10.090 -19.549 448 HA VAL 61 HA VAL 61 26.542 10.905 -19.405 449 HB VAL 61 HB VAL 61 25.868 12.098 -17.471 450 1HG1 VAL 61 1HG1 VAL 61 23.468 12.928 -18.326 451 2HG1 VAL 61 2HG1 VAL 61 24.981 13.339 -19.169 452 3HG1 VAL 61 3HG1 VAL 61 23.963 12.007 -19.765 453 1HG2 VAL 61 1HG2 VAL 61 23.128 11.203 -17.142 454 2HG2 VAL 61 2HG2 VAL 61 24.270 9.856 -16.919 455 3HG2 VAL 61 3HG2 VAL 61 24.434 11.333 -15.940 456 H GLY 62 HN GLY 62 24.830 8.043 -18.504 457 1HA GLY 62 1HA GLY 62 25.430 6.210 -17.353 458 2HA GLY 62 2HA GLY 62 27.094 6.706 -17.595 459 H HIS 63 HN HIS 63 24.244 6.966 -15.438 460 HA HIS 63 HA HIS 63 25.573 8.506 -13.480 461 1HB HIS 63 2HB HIS 63 23.028 6.902 -13.573 462 2HB HIS 63 3HB HIS 63 23.605 7.556 -12.053 463 HD1 HIS 63 HD1 HIS 63 22.910 8.883 -15.593 464 HD2 HIS 63 HD2 HIS 63 22.677 10.076 -11.578 465 HE1 HIS 63 HE1 HIS 63 21.862 11.209 -15.598 466 H SER 64 HN SER 64 26.650 7.881 -11.588 467 HA SER 64 HA SER 64 27.758 5.261 -11.727 468 1HB SER 64 2HB SER 64 28.262 7.771 -10.173 469 2HB SER 64 3HB SER 64 28.757 6.276 -9.404 470 HG SER 64 HG SER 64 29.615 7.337 -11.949 471 H THR 65 HN THR 65 27.984 4.034 -9.469 472 HA THR 65 HA THR 65 25.498 3.104 -8.741 473 HB THR 65 HB THR 65 28.311 2.998 -7.673 474 HG1 THR 65 HG1 THR 65 26.087 1.225 -8.397 475 1HG2 THR 65 1HG2 THR 65 26.719 3.196 -5.630 476 2HG2 THR 65 2HG2 THR 65 25.971 1.688 -6.211 477 3HG2 THR 65 3HG2 THR 65 27.685 1.705 -5.731 478 H ASP 66 HN ASP 66 27.483 5.672 -7.160 479 HA ASP 66 HA ASP 66 26.145 6.099 -4.932 480 1HB ASP 66 2HB ASP 66 27.286 7.999 -6.984 481 2HB ASP 66 3HB ASP 66 26.411 8.684 -5.628 482 H ALA 67 HN ALA 67 25.125 7.038 -8.269 483 HA ALA 67 HA ALA 67 22.821 8.464 -7.453 484 1HB ALA 67 1HB ALA 67 24.153 8.592 -9.657 485 2HB ALA 67 2HB ALA 67 23.266 7.125 -10.137 486 3HB ALA 67 3HB ALA 67 22.377 8.625 -9.777 487 H ARG 68 HN ARG 68 23.454 5.091 -8.602 488 HA ARG 68 HA ARG 68 21.029 4.133 -8.914 489 1HB ARG 68 2HB ARG 68 23.489 3.001 -8.589 490 2HB ARG 68 3HB ARG 68 22.756 2.484 -7.083 491 1HG ARG 68 2HG ARG 68 21.151 1.153 -8.147 492 2HG ARG 68 3HG ARG 68 21.135 2.136 -9.597 493 1HD ARG 68 2HD ARG 68 23.164 1.173 -10.424 494 2HD ARG 68 3HD ARG 68 23.618 0.548 -8.851 495 HE ARG 68 HE ARG 68 22.212 -1.310 -9.187 496 1HH1 ARG 68 1HH1 ARG 68 20.161 -2.081 -11.903 497 2HH1 ARG 68 2HH1 ARG 68 20.882 -2.677 -10.445 498 1HH2 ARG 68 1HH2 ARG 68 20.545 0.106 -12.578 499 2HH2 ARG 68 2HH2 ARG 68 21.554 1.142 -11.624 500 H GLU 69 HN GLU 69 22.635 4.699 -5.719 501 HA GLU 69 HA GLU 69 20.528 3.650 -4.218 502 1HB GLU 69 2HB GLU 69 23.080 4.381 -3.659 503 2HB GLU 69 3HB GLU 69 22.259 5.800 -3.046 504 1HG GLU 69 2HG GLU 69 22.183 4.458 -1.147 505 2HG GLU 69 3HG GLU 69 20.657 4.009 -1.885 506 H LEU 70 HN LEU 70 21.504 7.074 -4.963 507 HA LEU 70 HA LEU 70 19.397 8.296 -3.662 508 1HB LEU 70 2HB LEU 70 21.264 9.028 -5.867 509 2HB LEU 70 3HB LEU 70 19.873 10.057 -5.589 510 HG LEU 70 HG LEU 70 20.625 10.785 -3.533 511 1HD1 LEU 70 1HD1 LEU 70 20.886 8.871 -2.251 512 2HD1 LEU 70 2HD1 LEU 70 22.080 8.159 -3.362 513 3HD1 LEU 70 3HD1 LEU 70 22.540 9.526 -2.318 514 1HD2 LEU 70 1HD2 LEU 70 22.633 10.592 -5.604 515 2HD2 LEU 70 2HD2 LEU 70 22.282 11.922 -4.477 516 3HD2 LEU 70 3HD2 LEU 70 23.385 10.612 -3.992 517 H SER 71 HN SER 71 19.655 7.764 -7.252 518 HA SER 71 HA SER 71 17.294 8.472 -8.070 519 1HB SER 71 2HB SER 71 18.665 5.836 -8.755 520 2HB SER 71 3HB SER 71 17.336 6.500 -9.683 521 HG SER 71 HG SER 71 18.621 8.023 -10.539 522 H LYS 72 HN LYS 72 17.879 5.144 -6.700 523 HA LYS 72 HA LYS 72 15.211 4.374 -6.707 524 1HB LYS 72 2HB LYS 72 17.753 3.416 -5.588 525 2HB LYS 72 3HB LYS 72 16.361 2.980 -4.618 526 1HG LYS 72 2HG LYS 72 15.535 2.541 -7.294 527 2HG LYS 72 3HG LYS 72 17.186 1.955 -7.238 528 1HD LYS 72 2HD LYS 72 16.051 1.000 -4.840 529 2HD LYS 72 3HD LYS 72 14.761 0.820 -6.012 530 1HE LYS 72 2HE LYS 72 16.084 -1.222 -6.047 531 2HE LYS 72 3HE LYS 72 16.378 -0.372 -7.552 532 1HZ LYS 72 1HZ LYS 72 18.235 -1.125 -5.680 533 2HZ LYS 72 2HZ LYS 72 18.497 -0.244 -7.030 534 3HZ LYS 72 3HZ LYS 72 18.188 0.506 -5.612 535 H THR 73 HN THR 73 17.225 5.888 -4.101 536 HA THR 73 HA THR 73 15.216 5.947 -2.170 537 HB THR 73 HB THR 73 17.893 7.118 -2.687 538 HG1 THR 73 HG1 THR 73 17.736 6.635 -0.244 539 1HG2 THR 73 1HG2 THR 73 16.608 9.238 -2.215 540 2HG2 THR 73 2HG2 THR 73 15.956 8.481 -0.743 541 3HG2 THR 73 3HG2 THR 73 17.701 8.805 -0.879 542 H TYR 74 HN TYR 74 15.803 8.008 -4.999 543 HA TYR 74 HA TYR 74 13.711 9.828 -4.065 544 1HB TYR 74 2HB TYR 74 15.903 9.744 -6.203 545 2HB TYR 74 3HB TYR 74 14.614 10.922 -6.345 546 HD1 TYR 74 HD1 TYR 74 17.496 9.853 -4.286 547 HD2 TYR 74 HD2 TYR 74 14.538 12.874 -4.933 548 HE1 TYR 74 HE1 TYR 74 18.757 11.427 -2.737 549 HE2 TYR 74 HE2 TYR 74 15.808 14.439 -3.382 550 HH TYR 74 HH TYR 74 18.751 14.271 -2.672 551 H ILE 75 HN ILE 75 12.922 7.141 -4.785 552 HA ILE 75 HA ILE 75 11.588 7.664 -7.350 553 HB ILE 75 HB ILE 75 13.252 5.621 -6.793 554 1HG1 ILE 75 2HG1 ILE 75 12.033 6.393 -8.949 555 2HG1 ILE 75 3HG1 ILE 75 12.593 4.737 -8.823 556 1HG2 ILE 75 1HG2 ILE 75 11.895 4.677 -5.029 557 2HG2 ILE 75 2HG2 ILE 75 10.479 4.612 -6.105 558 3HG2 ILE 75 3HG2 ILE 75 11.896 3.586 -6.436 559 1HD1 ILE 75 1HD1 ILE 75 10.305 4.738 -9.687 560 2HD1 ILE 75 2HD1 ILE 75 10.294 4.052 -8.045 561 3HD1 ILE 75 3HD1 ILE 75 9.750 5.725 -8.314 562 H ILE 76 HN ILE 76 9.346 7.488 -7.475 563 HA ILE 76 HA ILE 76 8.017 6.943 -4.913 564 HB ILE 76 HB ILE 76 6.552 8.729 -5.212 565 1HG1 ILE 76 2HG1 ILE 76 6.357 8.245 -7.755 566 2HG1 ILE 76 3HG1 ILE 76 6.062 9.868 -7.162 567 1HG2 ILE 76 1HG2 ILE 76 9.353 9.579 -5.980 568 2HG2 ILE 76 2HG2 ILE 76 8.059 10.715 -5.529 569 3HG2 ILE 76 3HG2 ILE 76 8.634 9.507 -4.353 570 1HD1 ILE 76 1HD1 ILE 76 7.502 10.135 -9.055 571 2HD1 ILE 76 2HD1 ILE 76 8.554 10.352 -7.635 572 3HD1 ILE 76 3HD1 ILE 76 8.568 8.811 -8.526 573 H GLY 77 HN GLY 77 7.988 6.815 -8.494 574 1HA GLY 77 1HA GLY 77 6.759 4.325 -8.623 575 2HA GLY 77 2HA GLY 77 5.483 5.519 -8.743 576 H GLU 78 HN GLU 78 5.152 4.699 -10.972 577 HA GLU 78 HA GLU 78 7.136 5.872 -12.764 578 1HB GLU 78 2HB GLU 78 6.754 4.081 -14.354 579 2HB GLU 78 3HB GLU 78 7.129 3.356 -12.802 580 1HG GLU 78 2HG GLU 78 5.067 2.388 -12.623 581 2HG GLU 78 3HG GLU 78 4.239 3.849 -13.121 582 H LEU 79 HN LEU 79 6.064 6.251 -15.068 583 HA LEU 79 HA LEU 79 3.479 7.529 -14.531 584 1HB LEU 79 2HB LEU 79 4.172 9.302 -15.662 585 2HB LEU 79 3HB LEU 79 5.782 8.654 -15.415 586 HG LEU 79 HG LEU 79 5.752 9.188 -17.674 587 1HD1 LEU 79 1HD1 LEU 79 5.926 6.503 -16.950 588 2HD1 LEU 79 2HD1 LEU 79 4.903 6.508 -18.406 589 3HD1 LEU 79 3HD1 LEU 79 6.519 7.252 -18.452 590 1HD2 LEU 79 1HD2 LEU 79 3.692 9.783 -18.383 591 2HD2 LEU 79 2HD2 LEU 79 3.704 8.145 -19.079 592 3HD2 LEU 79 3HD2 LEU 79 2.885 8.447 -17.528 593 H HIS 80 HN HIS 80 1.783 7.357 -16.131 594 HA HIS 80 HA HIS 80 1.154 4.911 -16.936 595 1HB HIS 80 2HB HIS 80 0.079 7.396 -17.255 596 2HB HIS 80 3HB HIS 80 0.446 6.991 -18.921 597 HD1 HIS 80 HD1 HIS 80 -2.113 6.810 -19.462 598 HD2 HIS 80 HD2 HIS 80 -0.736 4.065 -16.605 599 HE1 HIS 80 HE1 HIS 80 -3.962 5.073 -19.191 600 HA PRO 81 HA PRO 81 4.229 4.011 -19.927 601 1HB PRO 81 2HB PRO 81 3.697 1.340 -20.153 602 2HB PRO 81 3HB PRO 81 4.762 2.005 -18.930 603 1HG PRO 81 2HG PRO 81 2.003 0.987 -18.631 604 2HG PRO 81 3HG PRO 81 3.216 1.252 -17.393 605 1HD PRO 81 2HD PRO 81 0.950 2.918 -17.960 606 2HD PRO 81 3HD PRO 81 2.225 3.240 -16.802 607 H ASP 82 HN ASP 82 0.861 3.737 -20.188 608 HA ASP 82 HA ASP 82 0.929 2.899 -22.895 609 1HB ASP 82 2HB ASP 82 -0.982 2.897 -20.938 610 2HB ASP 82 3HB ASP 82 -1.456 4.349 -21.795 611 H ASP 83 HN ASP 83 0.758 5.946 -21.015 612 HA ASP 83 HA ASP 83 0.397 7.441 -23.468 613 1HB ASP 83 2HB ASP 83 0.391 8.261 -20.527 614 2HB ASP 83 3HB ASP 83 0.226 9.408 -21.842 615 H ARG 84 HN ARG 84 2.922 5.933 -22.405 616 HA ARG 84 HA ARG 84 4.707 7.990 -21.670 617 1HB ARG 84 2HB ARG 84 6.375 6.254 -21.601 618 2HB ARG 84 3HB ARG 84 4.888 5.491 -21.078 619 1HG ARG 84 2HG ARG 84 4.519 4.679 -23.447 620 2HG ARG 84 3HG ARG 84 6.069 5.365 -23.893 621 1HD ARG 84 2HD ARG 84 6.958 3.910 -21.830 622 2HD ARG 84 3HD ARG 84 5.490 2.993 -22.106 623 HE ARG 84 HE ARG 84 6.971 3.483 -24.575 624 1HH1 ARG 84 1HH1 ARG 84 8.195 0.219 -24.743 625 2HH1 ARG 84 2HH1 ARG 84 7.967 1.703 -25.606 626 1HH2 ARG 84 1HH2 ARG 84 7.489 0.037 -22.540 627 2HH2 ARG 84 2HH2 ARG 84 6.734 1.386 -21.758 628 H SER 85 HN SER 85 3.332 6.918 -24.639 629 HA SER 85 HA SER 85 5.602 7.991 -26.120 630 1HB SER 85 2HB SER 85 5.040 5.691 -26.751 631 2HB SER 85 3HB SER 85 3.356 6.117 -26.982 632 HG SER 85 HG SER 85 5.168 6.092 -28.861 633 H LYS 86 HN LYS 86 3.301 9.419 -24.658 634 HA LYS 86 HA LYS 86 1.960 10.627 -26.959 635 1HB LYS 86 2HB LYS 86 1.216 10.046 -24.193 636 2HB LYS 86 3HB LYS 86 0.883 11.710 -24.629 637 1HG LYS 86 2HG LYS 86 0.136 9.806 -26.766 638 2HG LYS 86 3HG LYS 86 -0.712 9.498 -25.265 639 1HD LYS 86 2HD LYS 86 -2.100 11.071 -26.374 640 2HD LYS 86 3HD LYS 86 -1.223 12.045 -25.211 641 1HE LYS 86 2HE LYS 86 -0.059 11.682 -27.982 642 2HE LYS 86 3HE LYS 86 -1.390 12.801 -27.764 643 1HZ LYS 86 1HZ LYS 86 0.101 14.230 -27.044 644 2HZ LYS 86 2HZ LYS 86 0.356 13.307 -25.722 645 3HZ LYS 86 3HZ LYS 86 1.300 13.120 -27.042 646 H ILE 87 HN ILE 87 4.828 11.037 -26.404 647 HA ILE 87 HA ILE 87 4.845 13.774 -25.396 648 HB ILE 87 HB ILE 87 6.887 11.630 -25.780 649 1HG1 ILE 87 2HG1 ILE 87 7.457 12.931 -23.460 650 2HG1 ILE 87 3HG1 ILE 87 5.733 13.227 -23.566 651 1HG2 ILE 87 1HG2 ILE 87 8.251 13.138 -26.766 652 2HG2 ILE 87 2HG2 ILE 87 7.342 14.538 -26.146 653 3HG2 ILE 87 3HG2 ILE 87 8.486 13.680 -25.087 654 1HD1 ILE 87 1HD1 ILE 87 5.574 10.651 -24.132 655 2HD1 ILE 87 2HD1 ILE 87 7.194 10.582 -23.397 656 3HD1 ILE 87 3HD1 ILE 87 5.808 11.163 -22.444 657 H ALA 88 HN ALA 88 5.763 11.799 -28.287 658 HA ALA 88 HA ALA 88 6.807 13.686 -29.896 659 1HB ALA 88 1HB ALA 88 6.716 11.520 -30.763 660 2HB ALA 88 2HB ALA 88 4.991 11.326 -30.375 661 3HB ALA 88 3HB ALA 88 5.485 12.354 -31.741 662 HHA HEM 95 HA HEM 95 27.009 13.044 -12.951 663 HHB HEM 95 HB HEM 95 22.901 11.183 -8.502 664 HHC HEM 95 HC HEM 95 18.080 12.664 -12.408 665 HHD HEM 95 HD HEM 95 22.241 14.566 -16.789 666 1HMA HEM 95 1HMA HEM 95 25.789 11.637 -7.522 667 2HMA HEM 95 2HMA HEM 95 26.402 10.140 -8.332 668 3HMA HEM 95 3HMA HEM 95 24.671 10.254 -7.888 669 1HAA HEM 95 1HAA HEM 95 27.789 10.848 -11.539 670 2HAA HEM 95 2HAA HEM 95 27.758 10.761 -9.684 671 1HBA HEM 95 1HBA HEM 95 28.914 13.125 -10.862 672 2HBA HEM 95 2HBA HEM 95 29.785 11.608 -10.438 673 1HMB HEM 95 1HMB HEM 95 20.132 11.791 -7.100 674 2HMB HEM 95 2HMB HEM 95 21.188 10.416 -7.631 675 3HMB HEM 95 3HMB HEM 95 19.418 10.253 -7.751 676 HAB HEM 95 HAB HEM 95 17.445 12.576 -9.581 677 1HBB HEM 95 HBB HEM 95 17.541 9.496 -9.737 678 2HBB HEM 95 HBB HEM 95 16.073 10.630 -9.447 679 1HMC HEM 95 1HMC HEM 95 16.965 14.256 -14.576 680 2HMC HEM 95 2HMC HEM 95 17.177 12.475 -14.313 681 3HMC HEM 95 3HMC HEM 95 17.262 13.146 -15.970 682 HAC HEM 95 HAC HEM 95 20.461 14.514 -17.697 683 1HBC HEM 95 HBC HEM 95 17.708 15.354 -16.579 684 2HBC HEM 95 HBC HEM 95 18.395 15.630 -18.305 685 1HMD HEM 95 1HMD HEM 95 24.638 16.254 -16.927 686 2HMD HEM 95 2HMD HEM 95 24.382 14.727 -17.871 687 3HMD HEM 95 3HMD HEM 95 26.050 15.244 -17.420 688 1HAD HEM 95 1HAD HEM 95 27.793 14.551 -14.181 689 2HAD HEM 95 2HAD HEM 95 27.537 15.139 -15.847 690 1HBD HEM 95 1HBD HEM 95 28.963 13.393 -16.386 691 2HBD HEM 95 2HBD HEM 95 27.486 12.416 -16.339 Start of MODEL 4 1 H VAL 4 HN VAL 4 2.157 -1.183 -8.473 2 HA VAL 4 HA VAL 4 4.024 0.853 -7.522 3 HB VAL 4 HB VAL 4 4.345 -0.857 -9.501 4 1HG1 VAL 4 1HG1 VAL 4 3.033 1.456 -10.962 5 2HG1 VAL 4 2HG1 VAL 4 3.689 -0.045 -11.661 6 3HG1 VAL 4 3HG1 VAL 4 2.232 -0.101 -10.639 7 1HG2 VAL 4 1HG2 VAL 4 5.239 1.780 -10.428 8 2HG2 VAL 4 2HG2 VAL 4 5.567 1.489 -8.702 9 3HG2 VAL 4 3HG2 VAL 4 6.185 0.356 -9.928 10 H LYS 5 HN LYS 5 3.808 3.040 -8.773 11 HA LYS 5 HA LYS 5 0.949 3.719 -8.811 12 1HB LYS 5 2HB LYS 5 3.292 5.002 -7.516 13 2HB LYS 5 3HB LYS 5 2.169 6.091 -8.308 14 1HG LYS 5 2HG LYS 5 0.912 3.941 -6.650 15 2HG LYS 5 3HG LYS 5 1.831 5.135 -5.757 16 1HD LYS 5 2HD LYS 5 -0.351 6.064 -5.848 17 2HD LYS 5 3HD LYS 5 0.516 6.926 -7.103 18 1HE LYS 5 2HE LYS 5 -0.408 5.383 -8.827 19 2HE LYS 5 3HE LYS 5 -1.238 4.469 -7.583 20 1HZ LYS 5 1HZ LYS 5 -2.871 5.916 -7.697 21 2HZ LYS 5 2HZ LYS 5 -1.888 7.150 -7.276 22 3HZ LYS 5 3HZ LYS 5 -2.094 6.771 -8.852 23 H TYR 6 HN TYR 6 0.164 4.294 -10.761 24 HA TYR 6 HA TYR 6 2.124 4.979 -12.826 25 1HB TYR 6 2HB TYR 6 -0.860 4.195 -12.812 26 2HB TYR 6 3HB TYR 6 0.069 4.451 -14.275 27 HD1 TYR 6 HD1 TYR 6 2.537 3.040 -13.942 28 HD2 TYR 6 HD2 TYR 6 -1.353 1.951 -12.531 29 HE1 TYR 6 HE1 TYR 6 3.219 0.592 -13.929 30 HE2 TYR 6 HE2 TYR 6 -0.657 -0.494 -12.523 31 HH TYR 6 HH TYR 6 0.979 -1.898 -12.756 32 H TYR 7 HN TYR 7 2.491 7.141 -13.013 33 HA TYR 7 HA TYR 7 0.264 8.953 -12.474 34 1HB TYR 7 2HB TYR 7 3.212 9.493 -13.162 35 2HB TYR 7 3HB TYR 7 2.118 10.593 -12.346 36 HD1 TYR 7 HD1 TYR 7 4.902 8.765 -11.759 37 HD2 TYR 7 HD2 TYR 7 0.953 9.189 -10.169 38 HE1 TYR 7 HE1 TYR 7 5.710 7.909 -9.506 39 HE2 TYR 7 HE2 TYR 7 1.774 8.330 -7.921 40 HH TYR 7 HH TYR 7 3.583 6.928 -7.084 41 H THR 8 HN THR 8 -0.309 10.651 -13.972 42 HA THR 8 HA THR 8 -0.057 9.772 -16.721 43 HB THR 8 HB THR 8 -1.660 11.849 -16.938 44 HG1 THR 8 HG1 THR 8 -1.437 12.892 -14.966 45 1HG2 THR 8 1HG2 THR 8 -2.456 9.415 -16.766 46 2HG2 THR 8 2HG2 THR 8 -2.537 9.647 -15.003 47 3HG2 THR 8 3HG2 THR 8 -3.579 10.611 -16.076 48 H LEU 9 HN LEU 9 0.755 11.027 -18.458 49 HA LEU 9 HA LEU 9 3.190 12.211 -17.959 50 1HB LEU 9 2HB LEU 9 3.276 12.664 -20.225 51 2HB LEU 9 3HB LEU 9 2.250 11.249 -20.104 52 HG LEU 9 HG LEU 9 1.277 14.094 -20.488 53 1HD1 LEU 9 1HD1 LEU 9 1.921 11.883 -22.391 54 2HD1 LEU 9 2HD1 LEU 9 0.527 12.934 -22.742 55 3HD1 LEU 9 3HD1 LEU 9 2.150 13.641 -22.550 56 1HD2 LEU 9 1HD2 LEU 9 -0.274 11.490 -20.512 57 2HD2 LEU 9 2HD2 LEU 9 -0.323 12.728 -19.235 58 3HD2 LEU 9 3HD2 LEU 9 -0.924 13.108 -20.866 59 H GLU 10 HN GLU 10 -0.015 13.447 -17.467 60 HA GLU 10 HA GLU 10 0.503 16.143 -17.904 61 1HB GLU 10 2HB GLU 10 -1.625 14.491 -16.765 62 2HB GLU 10 3HB GLU 10 -1.432 15.970 -15.846 63 1HG GLU 10 2HG GLU 10 -2.017 17.342 -17.643 64 2HG GLU 10 3HG GLU 10 -1.406 16.221 -18.844 65 H GLU 11 HN GLU 11 0.994 13.975 -15.091 66 HA GLU 11 HA GLU 11 1.440 15.923 -13.199 67 1HB GLU 11 2HB GLU 11 1.708 13.064 -13.433 68 2HB GLU 11 3HB GLU 11 3.172 13.678 -12.691 69 1HG GLU 11 2HG GLU 11 2.022 13.766 -10.734 70 2HG GLU 11 3HG GLU 11 1.151 15.134 -11.399 71 H ILE 12 HN ILE 12 4.061 13.886 -14.687 72 HA ILE 12 HA ILE 12 6.217 15.241 -13.960 73 HB ILE 12 HB ILE 12 6.851 14.740 -16.565 74 1HG1 ILE 12 2HG1 ILE 12 4.273 14.004 -16.620 75 2HG1 ILE 12 3HG1 ILE 12 5.514 13.234 -17.588 76 1HG2 ILE 12 1HG2 ILE 12 6.888 13.187 -14.025 77 2HG2 ILE 12 2HG2 ILE 12 7.248 12.314 -15.532 78 3HG2 ILE 12 3HG2 ILE 12 8.225 13.726 -15.067 79 1HD1 ILE 12 1HD1 ILE 12 5.151 12.168 -14.809 80 2HD1 ILE 12 2HD1 ILE 12 3.850 11.834 -15.976 81 3HD1 ILE 12 3HD1 ILE 12 5.513 11.301 -16.320 82 H GLN 13 HN GLN 13 3.983 16.230 -16.616 83 HA GLN 13 HA GLN 13 5.452 18.359 -17.512 84 1HB GLN 13 2HB GLN 13 2.501 17.705 -17.476 85 2HB GLN 13 3HB GLN 13 3.019 19.274 -18.062 86 1HG GLN 13 2HG GLN 13 4.508 16.888 -19.118 87 2HG GLN 13 3HG GLN 13 2.853 17.083 -19.663 88 1HE2 GLN 13 1HE2 GLN 13 5.258 17.275 -21.206 89 2HE2 GLN 13 2HE2 GLN 13 5.342 18.863 -21.893 90 H LYS 14 HN LYS 14 2.410 18.840 -15.597 91 HA LYS 14 HA LYS 14 2.950 21.379 -14.786 92 1HB LYS 14 2HB LYS 14 1.327 20.945 -12.962 93 2HB LYS 14 3HB LYS 14 0.774 20.393 -14.531 94 1HG LYS 14 2HG LYS 14 1.847 18.082 -13.820 95 2HG LYS 14 3HG LYS 14 1.779 18.737 -12.196 96 1HD LYS 14 2HD LYS 14 -0.754 19.337 -13.007 97 2HD LYS 14 3HD LYS 14 -0.465 17.938 -14.022 98 1HE LYS 14 2HE LYS 14 -0.982 16.635 -12.236 99 2HE LYS 14 3HE LYS 14 0.520 17.152 -11.497 100 1HZ LYS 14 1HZ LYS 14 -0.560 18.530 -10.141 101 2HZ LYS 14 2HZ LYS 14 -1.639 19.023 -11.264 102 3HZ LYS 14 3HZ LYS 14 -1.872 17.615 -10.470 103 H HIS 15 HN HIS 15 4.445 18.384 -13.736 104 HA HIS 15 HA HIS 15 5.559 19.700 -11.399 105 1HB HIS 15 2HB HIS 15 5.735 16.838 -12.379 106 2HB HIS 15 3HB HIS 15 6.492 17.437 -10.917 107 HD1 HIS 15 HD1 HIS 15 4.404 18.939 -9.441 108 HD2 HIS 15 HD2 HIS 15 3.469 15.513 -11.673 109 HE1 HIS 15 HE1 HIS 15 2.209 18.047 -8.495 110 H LYS 16 HN LYS 16 6.321 20.949 -13.768 111 HA LYS 16 HA LYS 16 9.045 19.932 -14.179 112 1HB LYS 16 2HB LYS 16 7.537 19.984 -16.177 113 2HB LYS 16 3HB LYS 16 7.417 21.724 -16.004 114 1HG LYS 16 2HG LYS 16 9.821 22.001 -16.345 115 2HG LYS 16 3HG LYS 16 10.087 20.271 -16.266 116 1HD LYS 16 2HD LYS 16 9.986 20.411 -18.556 117 2HD LYS 16 3HD LYS 16 8.256 20.332 -18.288 118 1HE LYS 16 2HE LYS 16 8.071 22.349 -19.311 119 2HE LYS 16 3HE LYS 16 8.887 23.066 -17.936 120 1HZ LYS 16 1HZ LYS 16 9.829 22.910 -20.484 121 2HZ LYS 16 2HZ LYS 16 10.671 23.382 -19.166 122 3HZ LYS 16 3HZ LYS 16 10.733 21.827 -19.660 123 H ASP 17 HN ASP 17 8.188 21.430 -11.819 124 HA ASP 17 HA ASP 17 9.777 23.818 -12.326 125 1HB ASP 17 2HB ASP 17 7.087 23.846 -11.695 126 2HB ASP 17 3HB ASP 17 7.797 23.918 -10.094 127 H SER 18 HN SER 18 10.826 24.632 -10.197 128 HA SER 18 HA SER 18 12.299 22.718 -9.025 129 1HB SER 18 2HB SER 18 12.253 25.403 -8.872 130 2HB SER 18 3HB SER 18 11.492 25.071 -7.329 131 HG SER 18 HG SER 18 14.128 24.366 -8.232 132 H LYS 19 HN LYS 19 9.213 24.166 -7.774 133 HA LYS 19 HA LYS 19 8.972 23.012 -5.375 134 1HB LYS 19 2HB LYS 19 6.983 23.615 -7.539 135 2HB LYS 19 3HB LYS 19 6.442 22.777 -6.098 136 1HG LYS 19 2HG LYS 19 6.166 24.980 -5.398 137 2HG LYS 19 3HG LYS 19 7.799 24.691 -4.830 138 1HD LYS 19 2HD LYS 19 8.775 25.859 -6.690 139 2HD LYS 19 3HD LYS 19 7.284 25.813 -7.611 140 1HE LYS 19 2HE LYS 19 6.203 27.365 -6.018 141 2HE LYS 19 3HE LYS 19 7.618 27.338 -4.983 142 1HZ LYS 19 1HZ LYS 19 7.266 29.155 -6.811 143 2HZ LYS 19 2HZ LYS 19 8.759 28.639 -6.398 144 3HZ LYS 19 3HZ LYS 19 8.041 28.064 -7.747 145 H SER 20 HN SER 20 7.922 21.400 -8.464 146 HA SER 20 HA SER 20 8.634 18.896 -7.178 147 1HB SER 20 2HB SER 20 5.995 19.587 -8.511 148 2HB SER 20 3HB SER 20 6.544 17.926 -8.410 149 HG SER 20 HG SER 20 6.288 19.680 -6.119 150 H THR 21 HN THR 21 10.477 18.549 -8.455 151 HA THR 21 HA THR 21 10.109 18.729 -11.364 152 HB THR 21 HB THR 21 12.740 18.404 -9.867 153 HG1 THR 21 HG1 THR 21 11.477 20.914 -10.621 154 1HG2 THR 21 1HG2 THR 21 13.387 18.575 -12.081 155 2HG2 THR 21 2HG2 THR 21 11.816 19.244 -12.582 156 3HG2 THR 21 3HG2 THR 21 13.042 20.305 -11.847 157 H TRP 22 HN TRP 22 9.438 16.900 -12.292 158 HA TRP 22 HA TRP 22 10.485 14.394 -11.169 159 1HB TRP 22 2HB TRP 22 7.889 15.166 -12.414 160 2HB TRP 22 3HB TRP 22 8.487 13.546 -12.710 161 HD1 TRP 22 HD1 TRP 22 9.412 14.805 -9.271 162 HE1 TRP 22 HE1 TRP 22 7.955 13.700 -7.370 163 HE3 TRP 22 HE3 TRP 22 6.000 12.688 -12.392 164 HZ2 TRP 22 HZ2 TRP 22 5.592 12.099 -7.384 165 HZ3 TRP 22 HZ3 TRP 22 4.149 11.371 -11.366 166 HH2 TRP 22 HH2 TRP 22 3.914 11.060 -8.953 167 H VAL 23 HN VAL 23 10.929 12.676 -12.885 168 HA VAL 23 HA VAL 23 11.434 13.672 -15.537 169 HB VAL 23 HB VAL 23 13.395 14.449 -14.280 170 1HG1 VAL 23 1HG1 VAL 23 13.365 12.675 -12.534 171 2HG1 VAL 23 2HG1 VAL 23 13.958 11.512 -13.744 172 3HG1 VAL 23 3HG1 VAL 23 14.967 12.902 -13.274 173 1HG2 VAL 23 1HG2 VAL 23 14.801 12.413 -15.772 174 2HG2 VAL 23 2HG2 VAL 23 13.355 12.939 -16.667 175 3HG2 VAL 23 3HG2 VAL 23 14.567 14.137 -16.153 176 H ILE 24 HN ILE 24 10.745 12.074 -16.857 177 HA ILE 24 HA ILE 24 10.205 9.500 -15.811 178 HB ILE 24 HB ILE 24 10.188 10.566 -18.636 179 1HG1 ILE 24 2HG1 ILE 24 7.750 10.073 -16.951 180 2HG1 ILE 24 3HG1 ILE 24 8.662 11.555 -16.738 181 1HG2 ILE 24 1HG2 ILE 24 10.233 7.931 -17.964 182 2HG2 ILE 24 2HG2 ILE 24 8.484 8.262 -17.937 183 3HG2 ILE 24 3HG2 ILE 24 9.432 8.598 -19.406 184 1HD1 ILE 24 1HD1 ILE 24 8.170 10.864 -19.582 185 2HD1 ILE 24 2HD1 ILE 24 6.694 11.180 -18.640 186 3HD1 ILE 24 3HD1 ILE 24 7.968 12.418 -18.737 187 H LEU 25 HN LEU 25 11.706 7.990 -15.351 188 HA LEU 25 HA LEU 25 13.995 7.822 -17.185 189 1HB LEU 25 2HB LEU 25 13.903 8.186 -14.300 190 2HB LEU 25 3HB LEU 25 14.816 6.759 -14.750 191 HG LEU 25 HG LEU 25 16.357 8.029 -16.055 192 1HD1 LEU 25 1HD1 LEU 25 15.990 10.642 -16.030 193 2HD1 LEU 25 2HD1 LEU 25 15.243 9.612 -17.274 194 3HD1 LEU 25 3HD1 LEU 25 14.280 10.173 -15.887 195 1HD2 LEU 25 1HD2 LEU 25 15.809 9.578 -13.509 196 2HD2 LEU 25 2HD2 LEU 25 16.698 8.038 -13.611 197 3HD2 LEU 25 3HD2 LEU 25 17.347 9.495 -14.400 198 H HIS 26 HN HIS 26 13.892 6.001 -18.371 199 HA HIS 26 HA HIS 26 13.095 4.031 -19.042 200 1HB HIS 26 2HB HIS 26 13.904 2.155 -17.468 201 2HB HIS 26 3HB HIS 26 15.087 3.225 -18.192 202 HD1 HIS 26 HD1 HIS 26 16.458 4.748 -16.626 203 HD2 HIS 26 HD2 HIS 26 13.493 2.534 -14.651 204 HE1 HIS 26 HE1 HIS 26 16.919 5.005 -14.130 205 H HIS 27 HN HIS 27 10.846 5.171 -18.504 206 HA HIS 27 HA HIS 27 8.785 4.992 -17.761 207 1HB HIS 27 2HB HIS 27 9.548 2.064 -17.634 208 2HB HIS 27 3HB HIS 27 7.907 2.654 -17.463 209 HD1 HIS 27 HD1 HIS 27 10.426 1.725 -19.985 210 HD2 HIS 27 HD2 HIS 27 6.889 3.978 -19.881 211 HE1 HIS 27 HE1 HIS 27 9.689 2.012 -22.411 212 H LYS 28 HN LYS 28 10.279 6.089 -15.835 213 HA LYS 28 HA LYS 28 8.912 5.362 -13.487 214 1HB LYS 28 2HB LYS 28 11.396 3.954 -13.972 215 2HB LYS 28 3HB LYS 28 11.543 4.969 -12.551 216 1HG LYS 28 2HG LYS 28 9.465 3.987 -11.603 217 2HG LYS 28 3HG LYS 28 9.245 3.015 -13.044 218 1HD LYS 28 2HD LYS 28 11.080 1.610 -12.549 219 2HD LYS 28 3HD LYS 28 11.860 2.808 -11.536 220 1HE LYS 28 2HE LYS 28 11.004 1.550 -9.815 221 2HE LYS 28 3HE LYS 28 9.541 2.462 -10.123 222 1HZ LYS 28 1HZ LYS 28 8.649 0.483 -10.473 223 2HZ LYS 28 2HZ LYS 28 9.409 0.471 -11.918 224 3HZ LYS 28 3HZ LYS 28 10.084 -0.278 -10.634 225 H VAL 29 HN VAL 29 8.406 7.430 -12.969 226 HA VAL 29 HA VAL 29 10.130 9.584 -13.594 227 HB VAL 29 HB VAL 29 8.471 10.938 -12.543 228 1HG1 VAL 29 1HG1 VAL 29 6.714 8.789 -13.654 229 2HG1 VAL 29 2HG1 VAL 29 6.752 10.534 -14.001 230 3HG1 VAL 29 3HG1 VAL 29 7.983 9.460 -14.707 231 1HG2 VAL 29 1HG2 VAL 29 6.974 8.542 -11.503 232 2HG2 VAL 29 2HG2 VAL 29 8.281 9.272 -10.540 233 3HG2 VAL 29 3HG2 VAL 29 6.867 10.247 -11.008 234 H TYR 30 HN TYR 30 11.525 10.788 -12.285 235 HA TYR 30 HA TYR 30 12.068 9.566 -9.662 236 1HB TYR 30 2HB TYR 30 13.704 10.709 -11.968 237 2HB TYR 30 3HB TYR 30 14.368 10.862 -10.353 238 HD1 TYR 30 HD1 TYR 30 12.384 7.918 -10.585 239 HD2 TYR 30 HD2 TYR 30 16.238 9.493 -11.569 240 HE1 TYR 30 HE1 TYR 30 13.315 5.557 -10.745 241 HE2 TYR 30 HE2 TYR 30 17.157 7.128 -11.726 242 HH TYR 30 HH TYR 30 16.023 4.790 -12.270 243 H ASP 31 HN ASP 31 11.182 10.859 -8.112 244 HA ASP 31 HA ASP 31 10.833 13.618 -8.585 245 1HB ASP 31 2HB ASP 31 9.325 12.236 -7.140 246 2HB ASP 31 3HB ASP 31 10.640 11.986 -6.009 247 H LEU 32 HN LEU 32 13.245 14.016 -9.052 248 HA LEU 32 HA LEU 32 14.943 13.920 -6.697 249 1HB LEU 32 2HB LEU 32 16.746 14.345 -8.172 250 2HB LEU 32 3HB LEU 32 15.743 13.090 -8.874 251 HG LEU 32 HG LEU 32 14.816 15.571 -9.918 252 1HD1 LEU 32 1HD1 LEU 32 17.610 15.454 -10.814 253 2HD1 LEU 32 2HD1 LEU 32 16.576 16.853 -10.435 254 3HD1 LEU 32 3HD1 LEU 32 17.408 15.979 -9.126 255 1HD2 LEU 32 1HD2 LEU 32 16.230 13.153 -11.024 256 2HD2 LEU 32 2HD2 LEU 32 14.530 13.651 -11.206 257 3HD2 LEU 32 3HD2 LEU 32 15.814 14.541 -12.059 258 H THR 33 HN THR 33 12.674 15.634 -6.476 259 HA THR 33 HA THR 33 13.220 18.279 -7.217 260 HB THR 33 HB THR 33 11.587 17.105 -4.903 261 HG1 THR 33 HG1 THR 33 9.930 17.360 -6.636 262 1HG2 THR 33 1HG2 THR 33 10.767 19.580 -6.380 263 2HG2 THR 33 2HG2 THR 33 10.565 19.173 -4.659 264 3HG2 THR 33 3HG2 THR 33 12.131 19.777 -5.253 265 H LYS 34 HN LYS 34 13.789 16.589 -4.056 266 HA LYS 34 HA LYS 34 15.054 18.789 -2.887 267 1HB LYS 34 2HB LYS 34 15.610 15.913 -2.163 268 2HB LYS 34 3HB LYS 34 15.594 17.322 -1.121 269 1HG LYS 34 2HG LYS 34 13.410 16.938 -0.662 270 2HG LYS 34 3HG LYS 34 13.016 17.232 -2.343 271 1HD LYS 34 2HD LYS 34 14.102 14.618 -2.323 272 2HD LYS 34 3HD LYS 34 13.111 14.689 -0.880 273 1HE LYS 34 2HE LYS 34 11.939 15.813 -3.420 274 2HE LYS 34 3HE LYS 34 12.077 14.070 -3.298 275 1HZ LYS 34 1HZ LYS 34 10.986 15.443 -1.005 276 2HZ LYS 34 2HZ LYS 34 10.043 15.385 -2.337 277 3HZ LYS 34 3HZ LYS 34 10.571 14.001 -1.650 278 H TYR 35 HN TYR 35 16.297 15.987 -4.788 279 HA TYR 35 HA TYR 35 18.996 17.034 -4.569 280 1HB TYR 35 2HB TYR 35 18.408 14.573 -4.426 281 2HB TYR 35 3HB TYR 35 17.641 14.663 -6.000 282 HD1 TYR 35 HD1 TYR 35 18.909 14.450 -8.009 283 HD2 TYR 35 HD2 TYR 35 20.915 14.866 -4.253 284 HE1 TYR 35 HE1 TYR 35 21.117 13.839 -9.112 285 HE2 TYR 35 HE2 TYR 35 23.116 14.254 -5.369 286 HH TYR 35 HH TYR 35 23.611 12.749 -7.667 287 H LEU 36 HN LEU 36 16.824 18.578 -6.000 288 HA LEU 36 HA LEU 36 17.479 18.283 -8.782 289 1HB LEU 36 2HB LEU 36 15.230 18.830 -8.150 290 2HB LEU 36 3HB LEU 36 15.764 20.231 -7.243 291 HG LEU 36 HG LEU 36 14.712 20.753 -9.443 292 1HD1 LEU 36 1HD1 LEU 36 16.994 21.881 -8.244 293 2HD1 LEU 36 2HD1 LEU 36 17.305 21.881 -9.997 294 3HD1 LEU 36 3HD1 LEU 36 15.840 22.660 -9.353 295 1HD2 LEU 36 1HD2 LEU 36 17.099 19.231 -10.484 296 2HD2 LEU 36 2HD2 LEU 36 15.375 19.029 -10.882 297 3HD2 LEU 36 3HD2 LEU 36 16.261 20.459 -11.462 298 H GLU 37 HN GLU 37 18.075 20.688 -6.140 299 HA GLU 37 HA GLU 37 19.878 22.076 -7.904 300 1HB GLU 37 2HB GLU 37 19.984 23.767 -6.137 301 2HB GLU 37 3HB GLU 37 18.310 23.351 -6.449 302 1HG GLU 37 2HG GLU 37 18.686 21.570 -4.506 303 2HG GLU 37 3HG GLU 37 20.036 22.601 -4.076 304 H GLU 38 HN GLU 38 19.980 19.417 -5.801 305 HA GLU 38 HA GLU 38 22.588 19.992 -4.762 306 1HB GLU 38 2HB GLU 38 20.420 18.260 -4.070 307 2HB GLU 38 3HB GLU 38 21.789 17.225 -4.423 308 1HG GLU 38 2HG GLU 38 23.155 18.907 -2.919 309 2HG GLU 38 3HG GLU 38 21.583 19.429 -2.345 310 H HIS 39 HN HIS 39 21.144 18.527 -7.578 311 HA HIS 39 HA HIS 39 22.910 16.560 -8.234 312 1HB HIS 39 2HB HIS 39 20.778 17.341 -9.412 313 2HB HIS 39 3HB HIS 39 21.774 18.529 -10.227 314 HD1 HIS 39 HD1 HIS 39 21.816 17.620 -12.582 315 HD2 HIS 39 HD2 HIS 39 22.783 14.716 -9.714 316 HE1 HIS 39 HE1 HIS 39 22.564 15.555 -13.880 317 HA PRO 40 HA PRO 40 26.630 18.782 -8.689 318 1HB PRO 40 2HB PRO 40 28.244 16.675 -9.341 319 2HB PRO 40 3HB PRO 40 27.846 17.102 -7.689 320 1HG PRO 40 2HG PRO 40 26.815 14.866 -9.324 321 2HG PRO 40 3HG PRO 40 26.769 15.065 -7.584 322 1HD PRO 40 2HD PRO 40 24.592 15.445 -9.413 323 2HD PRO 40 3HD PRO 40 24.579 15.756 -7.688 324 H GLY 41 HN GLY 41 25.263 16.760 -11.136 325 1HA GLY 41 1HA GLY 41 26.994 17.542 -13.233 326 2HA GLY 41 2HA GLY 41 25.398 16.833 -13.382 327 H GLY 42 HN GLY 42 23.506 18.440 -12.707 328 1HA GLY 42 1HA GLY 42 23.947 21.224 -13.001 329 2HA GLY 42 2HA GLY 42 23.460 20.529 -14.534 330 H GLU 43 HN GLU 43 22.017 22.393 -12.622 331 HA GLU 43 HA GLU 43 19.892 20.740 -11.637 332 1HB GLU 43 2HB GLU 43 18.980 22.864 -10.743 333 2HB GLU 43 3HB GLU 43 20.660 22.652 -10.292 334 1HG GLU 43 2HG GLU 43 21.387 24.169 -12.097 335 2HG GLU 43 3HG GLU 43 19.745 24.300 -12.696 336 H GLU 44 HN GLU 44 20.650 22.810 -14.412 337 HA GLU 44 HA GLU 44 17.961 23.133 -15.208 338 1HB GLU 44 2HB GLU 44 20.105 24.532 -15.816 339 2HB GLU 44 3HB GLU 44 20.337 23.340 -17.078 340 1HG GLU 44 2HG GLU 44 18.919 24.593 -18.340 341 2HG GLU 44 3HG GLU 44 17.629 23.954 -17.340 342 H VAL 45 HN VAL 45 20.723 21.102 -16.426 343 HA VAL 45 HA VAL 45 19.571 19.793 -18.453 344 HB VAL 45 HB VAL 45 21.726 19.183 -18.108 345 1HG1 VAL 45 1HG1 VAL 45 22.346 18.246 -15.655 346 2HG1 VAL 45 2HG1 VAL 45 22.452 19.965 -16.102 347 3HG1 VAL 45 3HG1 VAL 45 21.028 19.362 -15.224 348 1HG2 VAL 45 1HG2 VAL 45 20.682 16.844 -16.541 349 2HG2 VAL 45 2HG2 VAL 45 20.082 17.128 -18.193 350 3HG2 VAL 45 3HG2 VAL 45 21.821 16.883 -17.907 351 H LEU 46 HN LEU 46 18.734 19.542 -15.019 352 HA LEU 46 HA LEU 46 17.123 17.189 -15.462 353 1HB LEU 46 2HB LEU 46 17.105 18.865 -12.977 354 2HB LEU 46 3HB LEU 46 16.809 17.147 -13.159 355 HG LEU 46 HG LEU 46 19.532 18.278 -13.764 356 1HD1 LEU 46 1HD1 LEU 46 18.653 17.417 -10.999 357 2HD1 LEU 46 2HD1 LEU 46 20.233 18.070 -11.493 358 3HD1 LEU 46 3HD1 LEU 46 18.791 19.114 -11.519 359 1HD2 LEU 46 1HD2 LEU 46 18.340 15.599 -13.237 360 2HD2 LEU 46 2HD2 LEU 46 19.603 16.093 -14.389 361 3HD2 LEU 46 3HD2 LEU 46 19.998 15.896 -12.665 362 H ARG 47 HN ARG 47 16.467 20.557 -14.248 363 HA ARG 47 HA ARG 47 13.756 20.358 -14.503 364 1HB ARG 47 2HB ARG 47 15.504 22.851 -14.824 365 2HB ARG 47 3HB ARG 47 13.786 22.872 -14.481 366 1HG ARG 47 2HG ARG 47 14.711 21.177 -12.494 367 2HG ARG 47 3HG ARG 47 16.071 22.269 -12.670 368 1HD ARG 47 2HD ARG 47 13.358 23.551 -12.583 369 2HD ARG 47 3HD ARG 47 13.908 22.816 -11.091 370 HE ARG 47 HE ARG 47 15.726 24.370 -10.990 371 1HH1 ARG 47 1HH1 ARG 47 16.045 27.302 -12.856 372 2HH1 ARG 47 2HH1 ARG 47 16.592 26.431 -11.462 373 1HH2 ARG 47 1HH2 ARG 47 14.431 26.373 -14.243 374 2HH2 ARG 47 2HH2 ARG 47 13.775 24.811 -13.885 375 H GLU 48 HN GLU 48 16.146 21.905 -16.779 376 HA GLU 48 HA GLU 48 14.655 22.824 -18.706 377 1HB GLU 48 2HB GLU 48 17.190 22.544 -18.675 378 2HB GLU 48 3HB GLU 48 16.961 20.926 -19.307 379 1HG GLU 48 2HG GLU 48 17.361 22.338 -21.215 380 2HG GLU 48 3HG GLU 48 15.653 21.952 -21.245 381 H GLN 49 HN GLN 49 15.282 19.300 -18.201 382 HA GLN 49 HA GLN 49 12.958 18.824 -19.888 383 1HB GLN 49 2HB GLN 49 14.082 16.770 -20.773 384 2HB GLN 49 3HB GLN 49 14.898 18.248 -21.242 385 1HG GLN 49 2HG GLN 49 16.424 17.904 -19.185 386 2HG GLN 49 3HG GLN 49 15.723 16.304 -19.044 387 1HE2 GLN 49 1HE2 GLN 49 18.451 17.340 -19.723 388 2HE2 GLN 49 2HE2 GLN 49 18.912 16.547 -21.192 389 H ALA 50 HN ALA 50 12.659 19.117 -17.179 390 HA ALA 50 HA ALA 50 13.094 16.730 -15.729 391 1HB ALA 50 1HB ALA 50 12.868 18.569 -14.350 392 2HB ALA 50 2HB ALA 50 11.612 19.315 -15.366 393 3HB ALA 50 3HB ALA 50 11.199 17.953 -14.295 394 H GLY 51 HN GLY 51 9.805 18.108 -16.044 395 1HA GLY 51 1HA GLY 51 8.385 15.821 -15.911 396 2HA GLY 51 2HA GLY 51 7.881 17.223 -16.835 397 H GLY 52 HN GLY 52 10.193 17.069 -18.742 398 1HA GLY 52 1HA GLY 52 9.014 15.514 -20.740 399 2HA GLY 52 2HA GLY 52 10.640 16.170 -20.751 400 H ASP 53 HN ASP 53 11.880 14.453 -21.472 401 HA ASP 53 HA ASP 53 11.833 12.127 -19.734 402 1HB ASP 53 2HB ASP 53 10.648 11.358 -21.677 403 2HB ASP 53 3HB ASP 53 11.725 12.204 -22.770 404 H ALA 54 HN ALA 54 13.898 12.192 -18.819 405 HA ALA 54 HA ALA 54 16.106 12.989 -20.588 406 1HB ALA 54 1HB ALA 54 16.272 13.033 -17.581 407 2HB ALA 54 2HB ALA 54 17.115 14.046 -18.778 408 3HB ALA 54 3HB ALA 54 15.394 14.332 -18.423 409 H THR 55 HN THR 55 14.782 10.302 -20.337 410 HA THR 55 HA THR 55 16.230 8.589 -18.704 411 HB THR 55 HB THR 55 14.724 8.321 -21.339 412 HG1 THR 55 HG1 THR 55 13.372 8.501 -19.535 413 1HG2 THR 55 1HG2 THR 55 16.644 6.492 -20.819 414 2HG2 THR 55 2HG2 THR 55 15.428 5.918 -19.652 415 3HG2 THR 55 3HG2 THR 55 15.031 5.998 -21.385 416 H GLU 56 HN GLU 56 16.818 9.303 -22.216 417 HA GLU 56 HA GLU 56 19.218 7.881 -22.206 418 1HB GLU 56 2HB GLU 56 18.194 10.051 -24.090 419 2HB GLU 56 3HB GLU 56 19.596 9.049 -24.412 420 1HG GLU 56 2HG GLU 56 16.917 7.778 -23.753 421 2HG GLU 56 3HG GLU 56 17.264 8.321 -25.383 422 H ASN 57 HN ASN 57 18.383 11.349 -21.723 423 HA ASN 57 HA ASN 57 20.985 12.290 -21.800 424 1HB ASN 57 2HB ASN 57 18.321 13.261 -20.911 425 2HB ASN 57 3HB ASN 57 19.640 13.974 -20.005 426 1HD2 ASN 57 1HD2 ASN 57 20.752 15.585 -20.846 427 2HD2 ASN 57 2HD2 ASN 57 20.682 16.145 -22.485 428 H PHE 58 HN PHE 58 19.317 10.271 -19.549 429 HA PHE 58 HA PHE 58 20.976 11.114 -17.305 430 1HB PHE 58 2HB PHE 58 18.513 10.764 -16.995 431 2HB PHE 58 3HB PHE 58 18.631 9.162 -17.696 432 HD1 PHE 58 HD1 PHE 58 18.819 7.338 -16.285 433 HD2 PHE 58 HD2 PHE 58 19.992 11.155 -14.851 434 HE1 PHE 58 HE1 PHE 58 19.187 6.366 -14.001 435 HE2 PHE 58 HE2 PHE 58 20.360 10.183 -12.566 436 HZ PHE 58 HZ PHE 58 19.953 7.799 -12.168 437 H GLU 59 HN GLU 59 20.266 8.316 -19.458 438 HA GLU 59 HA GLU 59 22.125 6.674 -18.056 439 1HB GLU 59 2HB GLU 59 20.546 6.309 -20.634 440 2HB GLU 59 3HB GLU 59 21.647 5.091 -20.022 441 1HG GLU 59 2HG GLU 59 20.096 5.766 -17.772 442 2HG GLU 59 3HG GLU 59 18.942 5.800 -19.091 443 H ASP 60 HN ASP 60 22.059 8.739 -20.968 444 HA ASP 60 HA ASP 60 24.279 7.780 -22.236 445 1HB ASP 60 2HB ASP 60 22.702 9.526 -23.110 446 2HB ASP 60 3HB ASP 60 23.361 10.682 -21.969 447 H VAL 61 HN VAL 61 23.900 10.218 -19.584 448 HA VAL 61 HA VAL 61 26.625 10.937 -19.484 449 HB VAL 61 HB VAL 61 26.032 12.084 -17.480 450 1HG1 VAL 61 1HG1 VAL 61 23.639 13.005 -18.309 451 2HG1 VAL 61 2HG1 VAL 61 25.176 13.431 -19.100 452 3HG1 VAL 61 3HG1 VAL 61 24.149 12.147 -19.782 453 1HG2 VAL 61 1HG2 VAL 61 23.263 11.295 -17.156 454 2HG2 VAL 61 2HG2 VAL 61 24.342 9.888 -16.997 455 3HG2 VAL 61 3HG2 VAL 61 24.584 11.317 -15.963 456 H GLY 62 HN GLY 62 24.873 8.104 -18.531 457 1HA GLY 62 1HA GLY 62 25.508 6.226 -17.472 458 2HA GLY 62 2HA GLY 62 27.169 6.733 -17.702 459 H HIS 63 HN HIS 63 24.311 6.972 -15.545 460 HA HIS 63 HA HIS 63 25.674 8.433 -13.545 461 1HB HIS 63 2HB HIS 63 23.071 6.936 -13.714 462 2HB HIS 63 3HB HIS 63 23.659 7.491 -12.159 463 HD1 HIS 63 HD1 HIS 63 23.056 9.015 -15.634 464 HD2 HIS 63 HD2 HIS 63 22.836 10.022 -11.568 465 HE1 HIS 63 HE1 HIS 63 22.109 11.382 -15.534 466 H SER 64 HN SER 64 26.714 7.726 -11.659 467 HA SER 64 HA SER 64 27.748 5.083 -11.858 468 1HB SER 64 2HB SER 64 28.832 5.902 -9.569 469 2HB SER 64 3HB SER 64 29.406 6.516 -11.107 470 HG SER 64 HG SER 64 27.572 7.796 -9.272 471 H THR 65 HN THR 65 27.902 3.776 -9.640 472 HA THR 65 HA THR 65 25.368 2.905 -8.982 473 HB THR 65 HB THR 65 28.170 2.627 -7.928 474 HG1 THR 65 HG1 THR 65 25.852 0.973 -8.645 475 1HG2 THR 65 1HG2 THR 65 26.617 2.851 -5.859 476 2HG2 THR 65 2HG2 THR 65 25.781 1.403 -6.470 477 3HG2 THR 65 3HG2 THR 65 27.499 1.312 -6.015 478 H ASP 66 HN ASP 66 27.412 5.381 -7.352 479 HA ASP 66 HA ASP 66 26.084 5.747 -5.087 480 1HB ASP 66 2HB ASP 66 26.784 8.099 -6.892 481 2HB ASP 66 3HB ASP 66 26.803 8.066 -5.139 482 H ALA 67 HN ALA 67 25.130 6.843 -8.394 483 HA ALA 67 HA ALA 67 22.894 8.353 -7.566 484 1HB ALA 67 1HB ALA 67 24.191 8.488 -9.759 485 2HB ALA 67 2HB ALA 67 23.334 7.008 -10.254 486 3HB ALA 67 3HB ALA 67 22.417 8.494 -9.908 487 H ARG 68 HN ARG 68 23.346 4.962 -8.751 488 HA ARG 68 HA ARG 68 20.853 4.153 -9.038 489 1HB ARG 68 2HB ARG 68 23.144 2.829 -8.999 490 2HB ARG 68 3HB ARG 68 22.727 2.466 -7.337 491 1HG ARG 68 2HG ARG 68 20.343 1.890 -8.622 492 2HG ARG 68 3HG ARG 68 21.507 1.455 -9.858 493 1HD ARG 68 2HD ARG 68 22.303 -0.347 -8.667 494 2HD ARG 68 3HD ARG 68 22.239 0.503 -7.136 495 HE ARG 68 HE ARG 68 20.082 -1.096 -8.349 496 1HH1 ARG 68 1HH1 ARG 68 18.004 -0.634 -5.583 497 2HH1 ARG 68 2HH1 ARG 68 18.245 -1.515 -7.054 498 1HH2 ARG 68 1HH2 ARG 68 19.545 0.973 -4.926 499 2HH2 ARG 68 2HH2 ARG 68 20.936 1.290 -5.908 500 H GLU 69 HN GLU 69 22.590 4.498 -5.875 501 HA GLU 69 HA GLU 69 20.513 3.512 -4.322 502 1HB GLU 69 2HB GLU 69 23.049 4.061 -3.781 503 2HB GLU 69 3HB GLU 69 22.421 5.626 -3.305 504 1HG GLU 69 2HG GLU 69 20.780 3.442 -2.218 505 2HG GLU 69 3HG GLU 69 22.458 3.280 -1.735 506 H LEU 70 HN LEU 70 21.498 6.930 -5.081 507 HA LEU 70 HA LEU 70 19.444 8.156 -3.688 508 1HB LEU 70 2HB LEU 70 21.303 8.892 -5.884 509 2HB LEU 70 3HB LEU 70 19.902 9.917 -5.651 510 HG LEU 70 HG LEU 70 20.593 10.649 -3.562 511 1HD1 LEU 70 1HD1 LEU 70 20.934 8.768 -2.269 512 2HD1 LEU 70 2HD1 LEU 70 22.109 8.062 -3.405 513 3HD1 LEU 70 3HD1 LEU 70 22.579 9.438 -2.378 514 1HD2 LEU 70 1HD2 LEU 70 22.682 10.462 -5.598 515 2HD2 LEU 70 2HD2 LEU 70 22.162 11.844 -4.604 516 3HD2 LEU 70 3HD2 LEU 70 23.328 10.668 -3.952 517 H SER 71 HN SER 71 19.605 7.659 -7.289 518 HA SER 71 HA SER 71 17.233 8.414 -8.038 519 1HB SER 71 2HB SER 71 18.623 5.811 -8.788 520 2HB SER 71 3HB SER 71 17.203 6.390 -9.637 521 HG SER 71 HG SER 71 19.539 6.998 -10.384 522 H LYS 72 HN LYS 72 17.811 5.063 -6.723 523 HA LYS 72 HA LYS 72 15.151 4.296 -6.684 524 1HB LYS 72 2HB LYS 72 16.772 2.612 -6.480 525 2HB LYS 72 3HB LYS 72 17.607 3.426 -5.173 526 1HG LYS 72 2HG LYS 72 16.090 2.716 -3.560 527 2HG LYS 72 3HG LYS 72 14.733 2.725 -4.669 528 1HD LYS 72 2HD LYS 72 16.279 0.733 -5.784 529 2HD LYS 72 3HD LYS 72 16.697 0.553 -4.092 530 1HE LYS 72 2HE LYS 72 14.591 -0.180 -3.503 531 2HE LYS 72 3HE LYS 72 13.783 0.919 -4.603 532 1HZ LYS 72 1HZ LYS 72 15.323 -1.178 -5.834 533 2HZ LYS 72 2HZ LYS 72 13.980 -1.660 -5.038 534 3HZ LYS 72 3HZ LYS 72 13.865 -0.572 -6.252 535 H THR 73 HN THR 73 17.172 5.817 -4.085 536 HA THR 73 HA THR 73 15.137 5.906 -2.172 537 HB THR 73 HB THR 73 17.848 7.029 -2.652 538 HG1 THR 73 HG1 THR 73 17.979 5.901 -0.727 539 1HG2 THR 73 1HG2 THR 73 16.594 9.161 -2.158 540 2HG2 THR 73 2HG2 THR 73 15.913 8.392 -0.704 541 3HG2 THR 73 3HG2 THR 73 17.665 8.688 -0.818 542 H TYR 74 HN TYR 74 15.795 7.937 -5.000 543 HA TYR 74 HA TYR 74 13.753 9.822 -4.084 544 1HB TYR 74 2HB TYR 74 15.961 9.663 -6.201 545 2HB TYR 74 3HB TYR 74 14.697 10.863 -6.380 546 HD1 TYR 74 HD1 TYR 74 17.527 9.769 -4.259 547 HD2 TYR 74 HD2 TYR 74 14.645 12.843 -5.007 548 HE1 TYR 74 HE1 TYR 74 18.797 11.345 -2.720 549 HE2 TYR 74 HE2 TYR 74 15.926 14.408 -3.466 550 HH TYR 74 HH TYR 74 17.889 13.552 -1.259 551 H ILE 75 HN ILE 75 12.849 7.183 -4.762 552 HA ILE 75 HA ILE 75 11.541 7.727 -7.337 553 HB ILE 75 HB ILE 75 13.167 5.735 -7.056 554 1HG1 ILE 75 2HG1 ILE 75 10.432 5.065 -8.148 555 2HG1 ILE 75 3HG1 ILE 75 11.461 6.258 -8.915 556 1HG2 ILE 75 1HG2 ILE 75 11.918 5.071 -4.874 557 2HG2 ILE 75 2HG2 ILE 75 10.747 4.314 -5.980 558 3HG2 ILE 75 3HG2 ILE 75 12.452 3.802 -6.003 559 1HD1 ILE 75 1HD1 ILE 75 11.946 4.184 -10.014 560 2HD1 ILE 75 2HD1 ILE 75 13.320 4.473 -8.921 561 3HD1 ILE 75 3HD1 ILE 75 12.053 3.306 -8.470 562 H ILE 76 HN ILE 76 9.295 7.594 -7.450 563 HA ILE 76 HA ILE 76 7.970 7.067 -4.882 564 HB ILE 76 HB ILE 76 6.545 8.885 -5.161 565 1HG1 ILE 76 2HG1 ILE 76 6.246 8.420 -7.671 566 2HG1 ILE 76 3HG1 ILE 76 6.092 10.074 -7.110 567 1HG2 ILE 76 1HG2 ILE 76 9.369 9.634 -5.928 568 2HG2 ILE 76 2HG2 ILE 76 8.112 10.841 -5.567 569 3HG2 ILE 76 3HG2 ILE 76 8.605 9.670 -4.320 570 1HD1 ILE 76 1HD1 ILE 76 7.493 10.260 -9.012 571 2HD1 ILE 76 2HD1 ILE 76 8.640 10.293 -7.652 572 3HD1 ILE 76 3HD1 ILE 76 8.414 8.796 -8.590 573 H GLY 77 HN GLY 77 7.922 6.944 -8.463 574 1HA GLY 77 1HA GLY 77 6.628 4.481 -8.577 575 2HA GLY 77 2HA GLY 77 5.389 5.713 -8.716 576 H GLU 78 HN GLU 78 5.195 4.630 -10.940 577 HA GLU 78 HA GLU 78 7.160 5.838 -12.728 578 1HB GLU 78 2HB GLU 78 6.740 4.010 -14.299 579 2HB GLU 78 3HB GLU 78 7.193 3.346 -12.742 580 1HG GLU 78 2HG GLU 78 5.022 2.578 -12.272 581 2HG GLU 78 3HG GLU 78 4.257 3.781 -13.290 582 H LEU 79 HN LEU 79 6.131 6.169 -15.057 583 HA LEU 79 HA LEU 79 3.572 7.514 -14.591 584 1HB LEU 79 2HB LEU 79 4.153 9.060 -16.188 585 2HB LEU 79 3HB LEU 79 5.667 8.755 -15.359 586 HG LEU 79 HG LEU 79 6.123 8.904 -17.692 587 1HD1 LEU 79 1HD1 LEU 79 7.343 7.166 -16.417 588 2HD1 LEU 79 2HD1 LEU 79 6.152 5.962 -16.965 589 3HD1 LEU 79 3HD1 LEU 79 7.193 6.789 -18.150 590 1HD2 LEU 79 1HD2 LEU 79 3.626 8.183 -18.208 591 2HD2 LEU 79 2HD2 LEU 79 4.926 7.993 -19.409 592 3HD2 LEU 79 3HD2 LEU 79 4.389 6.593 -18.449 593 H HIS 80 HN HIS 80 1.843 7.280 -16.136 594 HA HIS 80 HA HIS 80 1.287 4.725 -16.843 595 1HB HIS 80 2HB HIS 80 -0.012 7.120 -16.942 596 2HB HIS 80 3HB HIS 80 0.190 6.795 -18.652 597 HD1 HIS 80 HD1 HIS 80 -2.481 6.540 -18.683 598 HD2 HIS 80 HD2 HIS 80 -0.387 3.591 -16.558 599 HE1 HIS 80 HE1 HIS 80 -4.118 4.614 -18.333 600 HA PRO 81 HA PRO 81 4.079 4.198 -20.185 601 1HB PRO 81 2HB PRO 81 3.811 1.487 -20.410 602 2HB PRO 81 3HB PRO 81 4.939 2.251 -19.309 603 1HG PRO 81 2HG PRO 81 2.360 0.938 -18.704 604 2HG PRO 81 3HG PRO 81 3.680 1.318 -17.616 605 1HD PRO 81 2HD PRO 81 1.200 2.736 -17.865 606 2HD PRO 81 3HD PRO 81 2.566 3.182 -16.862 607 H ASP 82 HN ASP 82 0.789 3.976 -20.086 608 HA ASP 82 HA ASP 82 0.473 2.903 -22.690 609 1HB ASP 82 2HB ASP 82 -1.191 3.068 -20.601 610 2HB ASP 82 3HB ASP 82 -1.611 4.612 -21.316 611 H ASP 83 HN ASP 83 0.782 6.098 -21.116 612 HA ASP 83 HA ASP 83 0.166 7.406 -23.625 613 1HB ASP 83 2HB ASP 83 0.560 8.382 -20.768 614 2HB ASP 83 3HB ASP 83 0.500 9.507 -22.112 615 H ARG 84 HN ARG 84 2.780 6.222 -21.699 616 HA ARG 84 HA ARG 84 4.679 8.174 -22.048 617 1HB ARG 84 2HB ARG 84 5.044 6.310 -20.513 618 2HB ARG 84 3HB ARG 84 4.915 5.138 -21.809 619 1HG ARG 84 2HG ARG 84 7.260 5.353 -21.435 620 2HG ARG 84 3HG ARG 84 6.961 6.292 -22.883 621 1HD ARG 84 2HD ARG 84 6.703 8.347 -21.308 622 2HD ARG 84 3HD ARG 84 7.382 7.335 -20.050 623 HE ARG 84 HE ARG 84 8.834 8.555 -22.234 624 1HH1 ARG 84 1HH1 ARG 84 11.773 6.756 -21.683 625 2HH1 ARG 84 2HH1 ARG 84 11.066 8.127 -22.471 626 1HH2 ARG 84 1HH2 ARG 84 10.454 5.356 -20.385 627 2HH2 ARG 84 2HH2 ARG 84 8.762 5.681 -20.206 628 H SER 85 HN SER 85 3.495 5.575 -24.202 629 HA SER 85 HA SER 85 5.619 5.959 -26.061 630 1HB SER 85 2HB SER 85 4.189 3.804 -25.572 631 2HB SER 85 3HB SER 85 3.020 4.519 -26.663 632 HG SER 85 HG SER 85 5.305 3.169 -27.274 633 H LYS 86 HN LYS 86 2.568 7.445 -25.321 634 HA LYS 86 HA LYS 86 2.231 8.450 -28.030 635 1HB LYS 86 2HB LYS 86 0.270 7.595 -26.803 636 2HB LYS 86 3HB LYS 86 0.520 8.792 -25.548 637 1HG LYS 86 2HG LYS 86 -0.218 10.552 -26.871 638 2HG LYS 86 3HG LYS 86 0.390 9.843 -28.354 639 1HD LYS 86 2HD LYS 86 -1.654 8.083 -27.353 640 2HD LYS 86 3HD LYS 86 -2.289 9.714 -27.259 641 1HE LYS 86 2HE LYS 86 -1.269 9.921 -29.724 642 2HE LYS 86 3HE LYS 86 -1.380 8.173 -29.696 643 1HZ LYS 86 1HZ LYS 86 -3.506 8.414 -30.143 644 2HZ LYS 86 2HZ LYS 86 -3.751 9.118 -28.691 645 3HZ LYS 86 3HZ LYS 86 -3.436 10.039 -30.002 646 H ILE 87 HN ILE 87 4.665 9.157 -26.637 647 HA ILE 87 HA ILE 87 4.263 11.803 -25.592 648 HB ILE 87 HB ILE 87 6.015 9.978 -24.954 649 1HG1 ILE 87 2HG1 ILE 87 7.598 11.835 -24.264 650 2HG1 ILE 87 3HG1 ILE 87 6.572 12.948 -25.148 651 1HG2 ILE 87 1HG2 ILE 87 6.961 9.705 -27.193 652 2HG2 ILE 87 2HG2 ILE 87 7.465 11.412 -27.196 653 3HG2 ILE 87 3HG2 ILE 87 8.187 10.274 -26.034 654 1HD1 ILE 87 1HD1 ILE 87 4.793 11.394 -23.569 655 2HD1 ILE 87 2HD1 ILE 87 6.167 11.792 -22.508 656 3HD1 ILE 87 3HD1 ILE 87 5.256 13.094 -23.311 657 H ALA 88 HN ALA 88 5.391 10.247 -28.627 658 HA ALA 88 HA ALA 88 6.136 12.740 -29.805 659 1HB ALA 88 1HB ALA 88 7.211 11.306 -31.156 660 2HB ALA 88 2HB ALA 88 6.427 9.940 -30.326 661 3HB ALA 88 3HB ALA 88 5.653 10.681 -31.748 662 HHA HEM 95 HA HEM 95 27.096 12.988 -12.873 663 HHB HEM 95 HB HEM 95 22.958 11.061 -8.481 664 HHC HEM 95 HC HEM 95 18.164 12.645 -12.378 665 HHD HEM 95 HD HEM 95 22.354 14.613 -16.700 666 1HMA HEM 95 1HMA HEM 95 25.844 11.479 -7.478 667 2HMA HEM 95 2HMA HEM 95 26.454 9.996 -8.315 668 3HMA HEM 95 3HMA HEM 95 24.721 10.109 -7.877 669 1HAA HEM 95 1HAA HEM 95 27.928 10.922 -11.558 670 2HAA HEM 95 2HAA HEM 95 27.759 10.502 -9.757 671 1HBA HEM 95 1HBA HEM 95 28.636 12.505 -8.997 672 2HBA HEM 95 2HBA HEM 95 29.261 12.795 -10.660 673 1HMB HEM 95 1HMB HEM 95 20.186 11.654 -7.079 674 2HMB HEM 95 2HMB HEM 95 21.238 10.284 -7.633 675 3HMB HEM 95 3HMB HEM 95 19.468 10.133 -7.765 676 HAB HEM 95 HAB HEM 95 17.507 12.509 -9.589 677 1HBB HEM 95 HBB HEM 95 17.608 9.427 -9.712 678 2HBB HEM 95 HBB HEM 95 16.136 10.562 -9.446 679 1HMC HEM 95 1HMC HEM 95 17.066 14.287 -14.518 680 2HMC HEM 95 2HMC HEM 95 17.269 12.499 -14.289 681 3HMC HEM 95 3HMC HEM 95 17.364 13.202 -15.932 682 HAC HEM 95 HAC HEM 95 20.587 14.613 -17.609 683 1HBC HEM 95 HBC HEM 95 17.807 15.386 -16.506 684 2HBC HEM 95 HBC HEM 95 18.513 15.716 -18.215 685 1HMD HEM 95 1HMD HEM 95 24.760 16.291 -16.793 686 2HMD HEM 95 2HMD HEM 95 24.501 14.785 -17.769 687 3HMD HEM 95 3HMD HEM 95 26.170 15.285 -17.300 688 1HAD HEM 95 1HAD HEM 95 28.060 13.650 -15.777 689 2HAD HEM 95 2HAD HEM 95 27.861 14.046 -14.048 690 1HBD HEM 95 1HBD HEM 95 28.036 16.298 -14.463 691 2HBD HEM 95 2HBD HEM 95 26.786 16.252 -15.718 Start of MODEL 5 1 H VAL 4 HN VAL 4 2.235 -1.068 -8.240 2 HA VAL 4 HA VAL 4 4.304 0.802 -7.308 3 HB VAL 4 HB VAL 4 4.665 -0.828 -9.339 4 1HG1 VAL 4 1HG1 VAL 4 3.224 1.480 -10.689 5 2HG1 VAL 4 2HG1 VAL 4 4.004 0.090 -11.483 6 3HG1 VAL 4 3HG1 VAL 4 2.556 -0.157 -10.479 7 1HG2 VAL 4 1HG2 VAL 4 5.476 1.866 -10.185 8 2HG2 VAL 4 2HG2 VAL 4 5.827 1.521 -8.475 9 3HG2 VAL 4 3HG2 VAL 4 6.466 0.453 -9.747 10 H LYS 5 HN LYS 5 4.045 3.025 -8.492 11 HA LYS 5 HA LYS 5 1.179 3.668 -8.419 12 1HB LYS 5 2HB LYS 5 2.841 4.598 -6.643 13 2HB LYS 5 3HB LYS 5 3.389 5.657 -7.927 14 1HG LYS 5 2HG LYS 5 1.657 6.853 -6.753 15 2HG LYS 5 3HG LYS 5 0.963 6.359 -8.284 16 1HD LYS 5 2HD LYS 5 0.644 4.383 -6.070 17 2HD LYS 5 3HD LYS 5 -0.202 5.899 -5.829 18 1HE LYS 5 2HE LYS 5 -0.483 4.790 -8.576 19 2HE LYS 5 3HE LYS 5 -1.158 3.764 -7.326 20 1HZ LYS 5 1HZ LYS 5 -1.782 6.610 -7.709 21 2HZ LYS 5 2HZ LYS 5 -2.758 5.356 -8.086 22 3HZ LYS 5 3HZ LYS 5 -2.396 5.669 -6.524 23 H TYR 6 HN TYR 6 0.271 4.190 -10.329 24 HA TYR 6 HA TYR 6 2.088 4.888 -12.516 25 1HB TYR 6 2HB TYR 6 -0.874 4.053 -12.325 26 2HB TYR 6 3HB TYR 6 -0.022 4.287 -13.838 27 HD1 TYR 6 HD1 TYR 6 2.470 2.915 -13.616 28 HD2 TYR 6 HD2 TYR 6 -1.311 1.811 -11.949 29 HE1 TYR 6 HE1 TYR 6 3.189 0.477 -13.584 30 HE2 TYR 6 HE2 TYR 6 -0.581 -0.624 -11.921 31 HH TYR 6 HH TYR 6 0.915 -2.060 -12.772 32 H TYR 7 HN TYR 7 2.353 7.027 -12.907 33 HA TYR 7 HA TYR 7 0.140 8.811 -12.200 34 1HB TYR 7 2HB TYR 7 3.042 9.362 -13.070 35 2HB TYR 7 3HB TYR 7 1.973 10.502 -12.279 36 HD1 TYR 7 HD1 TYR 7 4.771 8.643 -11.714 37 HD2 TYR 7 HD2 TYR 7 0.929 9.314 -9.955 38 HE1 TYR 7 HE1 TYR 7 5.676 7.929 -9.449 39 HE2 TYR 7 HE2 TYR 7 1.847 8.597 -7.695 40 HH TYR 7 HH TYR 7 3.528 7.638 -6.660 41 H THR 8 HN THR 8 -0.328 10.646 -13.700 42 HA THR 8 HA THR 8 -0.363 9.645 -16.434 43 HB THR 8 HB THR 8 -1.904 11.799 -16.567 44 HG1 THR 8 HG1 THR 8 -2.166 12.719 -14.557 45 1HG2 THR 8 1HG2 THR 8 -2.697 9.326 -16.349 46 2HG2 THR 8 2HG2 THR 8 -2.811 9.647 -14.602 47 3HG2 THR 8 3HG2 THR 8 -3.809 10.576 -15.744 48 H LEU 9 HN LEU 9 0.582 10.616 -18.199 49 HA LEU 9 HA LEU 9 2.988 11.839 -17.876 50 1HB LEU 9 2HB LEU 9 3.046 12.004 -20.137 51 2HB LEU 9 3HB LEU 9 1.783 10.807 -19.935 52 HG LEU 9 HG LEU 9 1.317 13.760 -20.437 53 1HD1 LEU 9 1HD1 LEU 9 1.563 11.405 -22.264 54 2HD1 LEU 9 2HD1 LEU 9 0.382 12.678 -22.656 55 3HD1 LEU 9 3HD1 LEU 9 2.105 13.087 -22.478 56 1HD2 LEU 9 1HD2 LEU 9 -0.503 11.467 -19.862 57 2HD2 LEU 9 2HD2 LEU 9 -0.627 13.181 -19.396 58 3HD2 LEU 9 3HD2 LEU 9 -1.025 12.679 -21.056 59 H GLU 10 HN GLU 10 -0.206 13.199 -17.460 60 HA GLU 10 HA GLU 10 0.410 15.848 -18.011 61 1HB GLU 10 2HB GLU 10 -1.823 14.356 -17.076 62 2HB GLU 10 3HB GLU 10 -1.543 15.590 -15.865 63 1HG GLU 10 2HG GLU 10 -2.568 17.084 -17.227 64 2HG GLU 10 3HG GLU 10 -1.219 16.935 -18.335 65 H GLU 11 HN GLU 11 1.008 13.758 -15.200 66 HA GLU 11 HA GLU 11 1.422 15.765 -13.335 67 1HB GLU 11 2HB GLU 11 1.743 12.892 -13.521 68 2HB GLU 11 3HB GLU 11 3.162 13.569 -12.746 69 1HG GLU 11 2HG GLU 11 1.762 13.321 -10.896 70 2HG GLU 11 3HG GLU 11 1.386 14.972 -11.348 71 H ILE 12 HN ILE 12 4.051 13.682 -14.734 72 HA ILE 12 HA ILE 12 6.201 15.063 -14.089 73 HB ILE 12 HB ILE 12 6.805 14.495 -16.693 74 1HG1 ILE 12 2HG1 ILE 12 4.233 13.735 -16.684 75 2HG1 ILE 12 3HG1 ILE 12 5.466 12.942 -17.643 76 1HG2 ILE 12 1HG2 ILE 12 6.849 12.948 -14.129 77 2HG2 ILE 12 2HG2 ILE 12 7.311 12.136 -15.645 78 3HG2 ILE 12 3HG2 ILE 12 8.192 13.587 -15.108 79 1HD1 ILE 12 1HD1 ILE 12 5.084 11.990 -14.812 80 2HD1 ILE 12 2HD1 ILE 12 3.855 11.548 -16.020 81 3HD1 ILE 12 3HD1 ILE 12 5.552 11.070 -16.262 82 H GLN 13 HN GLN 13 3.856 16.027 -16.635 83 HA GLN 13 HA GLN 13 5.339 18.120 -17.649 84 1HB GLN 13 2HB GLN 13 2.404 17.427 -17.564 85 2HB GLN 13 3HB GLN 13 2.868 19.016 -18.139 86 1HG GLN 13 2HG GLN 13 4.459 16.753 -19.265 87 2HG GLN 13 3HG GLN 13 2.767 16.768 -19.723 88 1HE2 GLN 13 1HE2 GLN 13 2.266 17.863 -21.452 89 2HE2 GLN 13 2HE2 GLN 13 3.118 19.209 -22.131 90 H LYS 14 HN LYS 14 2.436 18.446 -15.474 91 HA LYS 14 HA LYS 14 2.917 21.073 -14.792 92 1HB LYS 14 2HB LYS 14 1.389 20.631 -12.896 93 2HB LYS 14 3HB LYS 14 0.779 20.033 -14.425 94 1HG LYS 14 2HG LYS 14 1.701 17.740 -13.828 95 2HG LYS 14 3HG LYS 14 2.143 18.372 -12.254 96 1HD LYS 14 2HD LYS 14 -0.010 17.286 -12.011 97 2HD LYS 14 3HD LYS 14 -0.284 19.012 -11.886 98 1HE LYS 14 2HE LYS 14 -0.482 18.449 -14.661 99 2HE LYS 14 3HE LYS 14 -1.308 17.118 -13.876 100 1HZ LYS 14 1HZ LYS 14 -2.508 18.830 -12.571 101 2HZ LYS 14 2HZ LYS 14 -1.858 19.979 -13.533 102 3HZ LYS 14 3HZ LYS 14 -2.847 18.846 -14.169 103 H HIS 15 HN HIS 15 4.401 18.071 -13.632 104 HA HIS 15 HA HIS 15 5.642 19.478 -11.428 105 1HB HIS 15 2HB HIS 15 5.829 16.590 -12.333 106 2HB HIS 15 3HB HIS 15 6.593 17.246 -10.899 107 HD1 HIS 15 HD1 HIS 15 4.453 18.791 -9.493 108 HD2 HIS 15 HD2 HIS 15 3.640 15.203 -11.506 109 HE1 HIS 15 HE1 HIS 15 2.298 17.876 -8.479 110 H LYS 16 HN LYS 16 6.336 20.727 -13.771 111 HA LYS 16 HA LYS 16 9.012 19.666 -14.346 112 1HB LYS 16 2HB LYS 16 8.891 20.794 -16.471 113 2HB LYS 16 3HB LYS 16 7.483 19.770 -16.282 114 1HG LYS 16 2HG LYS 16 6.210 21.825 -15.439 115 2HG LYS 16 3HG LYS 16 7.604 22.793 -15.878 116 1HD LYS 16 2HD LYS 16 7.228 22.570 -18.155 117 2HD LYS 16 3HD LYS 16 6.591 20.944 -18.004 118 1HE LYS 16 2HE LYS 16 4.735 22.598 -16.622 119 2HE LYS 16 3HE LYS 16 5.146 23.486 -18.076 120 1HZ LYS 16 1HZ LYS 16 4.580 20.648 -18.315 121 2HZ LYS 16 2HZ LYS 16 3.325 21.673 -18.105 122 3HZ LYS 16 3HZ LYS 16 4.318 21.850 -19.389 123 H ASP 17 HN ASP 17 7.941 21.354 -12.004 124 HA ASP 17 HA ASP 17 9.670 23.649 -12.498 125 1HB ASP 17 2HB ASP 17 8.324 24.527 -10.385 126 2HB ASP 17 3HB ASP 17 7.623 24.639 -11.988 127 H SER 18 HN SER 18 10.612 24.487 -10.228 128 HA SER 18 HA SER 18 12.203 22.494 -9.216 129 1HB SER 18 2HB SER 18 11.860 25.309 -8.873 130 2HB SER 18 3HB SER 18 11.842 24.615 -7.263 131 HG SER 18 HG SER 18 13.984 24.715 -7.509 132 H LYS 19 HN LYS 19 9.219 24.039 -7.841 133 HA LYS 19 HA LYS 19 9.099 22.839 -5.424 134 1HB LYS 19 2HB LYS 19 6.630 23.045 -5.633 135 2HB LYS 19 3HB LYS 19 7.501 24.496 -6.086 136 1HG LYS 19 2HG LYS 19 7.273 23.942 -8.481 137 2HG LYS 19 3HG LYS 19 6.534 22.402 -8.089 138 1HD LYS 19 2HD LYS 19 4.520 23.445 -8.161 139 2HD LYS 19 3HD LYS 19 4.964 24.261 -6.675 140 1HE LYS 19 2HE LYS 19 6.053 25.427 -9.223 141 2HE LYS 19 3HE LYS 19 4.330 25.598 -8.956 142 1HZ LYS 19 1HZ LYS 19 5.731 26.181 -6.600 143 2HZ LYS 19 2HZ LYS 19 6.326 27.083 -7.824 144 3HZ LYS 19 3HZ LYS 19 4.734 27.145 -7.463 145 H SER 20 HN SER 20 8.136 21.423 -8.604 146 HA SER 20 HA SER 20 8.409 18.833 -7.327 147 1HB SER 20 2HB SER 20 6.029 19.792 -8.961 148 2HB SER 20 3HB SER 20 6.385 18.087 -8.765 149 HG SER 20 HG SER 20 5.204 19.844 -6.989 150 H THR 21 HN THR 21 10.337 18.320 -8.406 151 HA THR 21 HA THR 21 10.313 18.594 -11.332 152 HB THR 21 HB THR 21 12.475 18.489 -9.187 153 HG1 THR 21 HG1 THR 21 12.973 20.448 -10.620 154 1HG2 THR 21 1HG2 THR 21 13.432 18.873 -11.933 155 2HG2 THR 21 2HG2 THR 21 14.057 17.777 -10.678 156 3HG2 THR 21 3HG2 THR 21 12.722 17.252 -11.732 157 H TRP 22 HN TRP 22 9.585 16.851 -12.377 158 HA TRP 22 HA TRP 22 10.394 14.244 -11.278 159 1HB TRP 22 2HB TRP 22 7.828 15.211 -12.451 160 2HB TRP 22 3HB TRP 22 8.316 13.561 -12.781 161 HD1 TRP 22 HD1 TRP 22 9.273 14.874 -9.334 162 HE1 TRP 22 HE1 TRP 22 7.822 13.774 -7.424 163 HE3 TRP 22 HE3 TRP 22 5.934 12.627 -12.443 164 HZ2 TRP 22 HZ2 TRP 22 5.493 12.124 -7.428 165 HZ3 TRP 22 HZ3 TRP 22 4.102 11.291 -11.408 166 HH2 TRP 22 HH2 TRP 22 3.851 11.021 -8.992 167 H VAL 23 HN VAL 23 10.844 12.579 -12.975 168 HA VAL 23 HA VAL 23 11.217 13.522 -15.660 169 HB VAL 23 HB VAL 23 13.204 14.440 -14.716 170 1HG1 VAL 23 1HG1 VAL 23 14.033 11.736 -13.649 171 2HG1 VAL 23 2HG1 VAL 23 14.715 13.341 -13.287 172 3HG1 VAL 23 3HG1 VAL 23 13.109 12.894 -12.662 173 1HG2 VAL 23 1HG2 VAL 23 14.757 12.286 -15.724 174 2HG2 VAL 23 2HG2 VAL 23 13.241 12.322 -16.656 175 3HG2 VAL 23 3HG2 VAL 23 14.263 13.777 -16.562 176 H ILE 24 HN ILE 24 10.635 11.856 -16.950 177 HA ILE 24 HA ILE 24 10.157 9.308 -15.816 178 HB ILE 24 HB ILE 24 10.171 10.227 -18.694 179 1HG1 ILE 24 2HG1 ILE 24 7.767 9.909 -16.891 180 2HG1 ILE 24 3HG1 ILE 24 8.640 11.423 -17.011 181 1HG2 ILE 24 1HG2 ILE 24 10.308 7.686 -18.088 182 2HG2 ILE 24 2HG2 ILE 24 8.592 7.893 -17.664 183 3HG2 ILE 24 3HG2 ILE 24 9.151 8.257 -19.314 184 1HD1 ILE 24 1HD1 ILE 24 8.358 11.175 -19.592 185 2HD1 ILE 24 2HD1 ILE 24 7.135 9.944 -19.194 186 3HD1 ILE 24 3HD1 ILE 24 6.922 11.622 -18.639 187 H LEU 25 HN LEU 25 11.673 7.832 -15.301 188 HA LEU 25 HA LEU 25 13.995 7.664 -17.092 189 1HB LEU 25 2HB LEU 25 13.876 8.196 -14.249 190 2HB LEU 25 3HB LEU 25 14.777 6.729 -14.573 191 HG LEU 25 HG LEU 25 16.352 7.881 -15.955 192 1HD1 LEU 25 1HD1 LEU 25 15.990 10.524 -16.037 193 2HD1 LEU 25 2HD1 LEU 25 15.346 9.427 -17.282 194 3HD1 LEU 25 3HD1 LEU 25 14.283 10.022 -15.985 195 1HD2 LEU 25 1HD2 LEU 25 15.794 9.552 -13.488 196 2HD2 LEU 25 2HD2 LEU 25 16.713 8.029 -13.536 197 3HD2 LEU 25 3HD2 LEU 25 17.331 9.469 -14.382 198 H HIS 26 HN HIS 26 13.959 5.790 -18.198 199 HA HIS 26 HA HIS 26 13.246 3.768 -18.792 200 1HB HIS 26 2HB HIS 26 14.115 2.708 -16.138 201 2HB HIS 26 3HB HIS 26 14.462 2.118 -17.751 202 HD1 HIS 26 HD1 HIS 26 15.338 5.232 -15.673 203 HD2 HIS 26 HD2 HIS 26 17.022 2.648 -18.517 204 HE1 HIS 26 HE1 HIS 26 17.751 5.998 -15.996 205 H HIS 27 HN HIS 27 10.974 4.993 -18.259 206 HA HIS 27 HA HIS 27 8.891 4.781 -17.600 207 1HB HIS 27 2HB HIS 27 9.457 1.849 -17.120 208 2HB HIS 27 3HB HIS 27 7.926 2.594 -17.536 209 HD1 HIS 27 HD1 HIS 27 8.195 4.038 -20.023 210 HD2 HIS 27 HD2 HIS 27 10.580 0.664 -19.295 211 HE1 HIS 27 HE1 HIS 27 8.985 3.213 -22.306 212 H LYS 28 HN LYS 28 10.314 5.955 -15.672 213 HA LYS 28 HA LYS 28 8.903 5.279 -13.338 214 1HB LYS 28 2HB LYS 28 11.262 3.753 -13.720 215 2HB LYS 28 3HB LYS 28 11.636 4.939 -12.485 216 1HG LYS 28 2HG LYS 28 9.826 4.219 -11.079 217 2HG LYS 28 3HG LYS 28 9.049 3.342 -12.382 218 1HD LYS 28 2HD LYS 28 10.353 1.482 -12.080 219 2HD LYS 28 3HD LYS 28 11.817 2.422 -11.872 220 1HE LYS 28 2HE LYS 28 11.608 2.504 -9.576 221 2HE LYS 28 3HE LYS 28 9.864 2.673 -9.631 222 1HZ LYS 28 1HZ LYS 28 10.609 0.538 -8.757 223 2HZ LYS 28 2HZ LYS 28 9.669 0.356 -10.079 224 3HZ LYS 28 3HZ LYS 28 11.288 0.164 -10.194 225 H VAL 29 HN VAL 29 8.360 7.364 -12.926 226 HA VAL 29 HA VAL 29 10.055 9.519 -13.574 227 HB VAL 29 HB VAL 29 8.376 10.874 -12.557 228 1HG1 VAL 29 1HG1 VAL 29 6.625 8.687 -13.584 229 2HG1 VAL 29 2HG1 VAL 29 6.685 10.413 -14.019 230 3HG1 VAL 29 3HG1 VAL 29 7.903 9.289 -14.667 231 1HG2 VAL 29 1HG2 VAL 29 6.901 8.498 -11.450 232 2HG2 VAL 29 2HG2 VAL 29 8.222 9.239 -10.514 233 3HG2 VAL 29 3HG2 VAL 29 6.808 10.213 -10.983 234 H TYR 30 HN TYR 30 11.451 10.761 -12.313 235 HA TYR 30 HA TYR 30 12.007 9.631 -9.652 236 1HB TYR 30 2HB TYR 30 13.630 10.716 -11.995 237 2HB TYR 30 3HB TYR 30 14.297 10.917 -10.386 238 HD1 TYR 30 HD1 TYR 30 12.324 7.956 -10.552 239 HD2 TYR 30 HD2 TYR 30 16.177 9.527 -11.548 240 HE1 TYR 30 HE1 TYR 30 13.268 5.597 -10.648 241 HE2 TYR 30 HE2 TYR 30 17.109 7.163 -11.640 242 HH TYR 30 HH TYR 30 16.667 5.025 -10.862 243 H ASP 31 HN ASP 31 11.136 10.967 -8.131 244 HA ASP 31 HA ASP 31 10.804 13.721 -8.705 245 1HB ASP 31 2HB ASP 31 9.211 12.428 -7.290 246 2HB ASP 31 3HB ASP 31 10.479 12.131 -6.117 247 H LEU 32 HN LEU 32 13.176 14.204 -9.075 248 HA LEU 32 HA LEU 32 14.829 14.067 -6.686 249 1HB LEU 32 2HB LEU 32 16.665 14.496 -8.108 250 2HB LEU 32 3HB LEU 32 15.671 13.269 -8.868 251 HG LEU 32 HG LEU 32 14.866 15.870 -9.819 252 1HD1 LEU 32 1HD1 LEU 32 17.596 15.466 -10.824 253 2HD1 LEU 32 2HD1 LEU 32 16.738 16.960 -10.377 254 3HD1 LEU 32 3HD1 LEU 32 17.514 15.969 -9.118 255 1HD2 LEU 32 1HD2 LEU 32 15.930 13.319 -11.004 256 2HD2 LEU 32 2HD2 LEU 32 14.317 14.057 -11.156 257 3HD2 LEU 32 3HD2 LEU 32 15.706 14.768 -12.013 258 H THR 33 HN THR 33 12.572 15.757 -6.446 259 HA THR 33 HA THR 33 13.067 18.411 -7.171 260 HB THR 33 HB THR 33 11.531 17.286 -4.770 261 HG1 THR 33 HG1 THR 33 9.839 17.192 -6.431 262 1HG2 THR 33 1HG2 THR 33 10.445 19.527 -6.389 263 2HG2 THR 33 2HG2 THR 33 10.498 19.337 -4.620 264 3HG2 THR 33 3HG2 THR 33 11.922 19.952 -5.492 265 H LYS 34 HN LYS 34 13.832 16.647 -4.103 266 HA LYS 34 HA LYS 34 15.093 18.905 -2.964 267 1HB LYS 34 2HB LYS 34 15.609 16.046 -2.157 268 2HB LYS 34 3HB LYS 34 15.608 17.487 -1.161 269 1HG LYS 34 2HG LYS 34 13.419 17.155 -0.689 270 2HG LYS 34 3HG LYS 34 13.024 17.364 -2.384 271 1HD LYS 34 2HD LYS 34 14.071 14.761 -2.288 272 2HD LYS 34 3HD LYS 34 13.178 14.884 -0.787 273 1HE LYS 34 2HE LYS 34 11.755 15.994 -3.160 274 2HE LYS 34 3HE LYS 34 12.050 14.268 -3.234 275 1HZ LYS 34 1HZ LYS 34 9.983 15.163 -2.040 276 2HZ LYS 34 2HZ LYS 34 10.795 13.910 -1.380 277 3HZ LYS 34 3HZ LYS 34 10.989 15.416 -0.779 278 H TYR 35 HN TYR 35 16.202 16.080 -4.890 279 HA TYR 35 HA TYR 35 18.948 16.997 -4.690 280 1HB TYR 35 2HB TYR 35 18.205 14.560 -4.595 281 2HB TYR 35 3HB TYR 35 17.490 14.728 -6.186 282 HD1 TYR 35 HD1 TYR 35 18.815 14.546 -8.172 283 HD2 TYR 35 HD2 TYR 35 20.708 14.673 -4.337 284 HE1 TYR 35 HE1 TYR 35 21.020 13.850 -9.229 285 HE2 TYR 35 HE2 TYR 35 22.906 13.977 -5.407 286 HH TYR 35 HH TYR 35 23.744 12.951 -7.288 287 H LEU 36 HN LEU 36 16.760 18.610 -6.089 288 HA LEU 36 HA LEU 36 17.440 18.370 -8.870 289 1HB LEU 36 2HB LEU 36 15.199 18.906 -8.370 290 2HB LEU 36 3HB LEU 36 15.657 20.185 -7.265 291 HG LEU 36 HG LEU 36 14.720 20.930 -9.475 292 1HD1 LEU 36 1HD1 LEU 36 16.808 21.999 -7.927 293 2HD1 LEU 36 2HD1 LEU 36 17.286 22.240 -9.624 294 3HD1 LEU 36 3HD1 LEU 36 15.723 22.862 -9.045 295 1HD2 LEU 36 1HD2 LEU 36 17.175 19.526 -10.451 296 2HD2 LEU 36 2HD2 LEU 36 15.538 19.594 -11.146 297 3HD2 LEU 36 3HD2 LEU 36 16.626 20.994 -11.295 298 H GLU 37 HN GLU 37 18.007 20.720 -6.174 299 HA GLU 37 HA GLU 37 19.826 22.147 -7.891 300 1HB GLU 37 2HB GLU 37 18.738 22.634 -5.095 301 2HB GLU 37 3HB GLU 37 20.040 23.608 -5.750 302 1HG GLU 37 2HG GLU 37 18.246 23.655 -7.853 303 2HG GLU 37 3HG GLU 37 17.151 23.563 -6.488 304 H GLU 38 HN GLU 38 19.923 19.425 -5.891 305 HA GLU 38 HA GLU 38 22.520 19.984 -4.804 306 1HB GLU 38 2HB GLU 38 20.353 18.286 -4.115 307 2HB GLU 38 3HB GLU 38 21.661 17.207 -4.557 308 1HG GLU 38 2HG GLU 38 21.821 19.470 -2.512 309 2HG GLU 38 3HG GLU 38 21.766 17.758 -2.146 310 H HIS 39 HN HIS 39 21.070 18.516 -7.632 311 HA HIS 39 HA HIS 39 22.874 16.594 -8.314 312 1HB HIS 39 2HB HIS 39 20.710 17.338 -9.465 313 2HB HIS 39 3HB HIS 39 21.679 18.539 -10.295 314 HD1 HIS 39 HD1 HIS 39 21.743 17.634 -12.646 315 HD2 HIS 39 HD2 HIS 39 22.718 14.732 -9.779 316 HE1 HIS 39 HE1 HIS 39 22.499 15.572 -13.945 317 HA PRO 40 HA PRO 40 26.539 18.892 -8.816 318 1HB PRO 40 2HB PRO 40 28.179 16.831 -9.547 319 2HB PRO 40 3HB PRO 40 27.807 17.215 -7.877 320 1HG PRO 40 2HG PRO 40 26.786 14.995 -9.540 321 2HG PRO 40 3HG PRO 40 26.772 15.155 -7.795 322 1HD PRO 40 2HD PRO 40 24.552 15.532 -9.572 323 2HD PRO 40 3HD PRO 40 24.568 15.805 -7.841 324 H GLY 41 HN GLY 41 25.196 16.867 -11.282 325 1HA GLY 41 1HA GLY 41 26.853 17.716 -13.396 326 2HA GLY 41 2HA GLY 41 25.254 17.013 -13.525 327 H GLY 42 HN GLY 42 23.372 18.595 -12.812 328 1HA GLY 42 1HA GLY 42 23.802 21.387 -13.031 329 2HA GLY 42 2HA GLY 42 23.310 20.732 -14.580 330 H GLU 43 HN GLU 43 21.831 22.559 -12.727 331 HA GLU 43 HA GLU 43 19.735 20.875 -11.716 332 1HB GLU 43 2HB GLU 43 18.779 23.039 -10.881 333 2HB GLU 43 3HB GLU 43 20.417 22.753 -10.330 334 1HG GLU 43 2HG GLU 43 21.343 24.335 -11.871 335 2HG GLU 43 3HG GLU 43 19.896 24.356 -12.859 336 H GLU 44 HN GLU 44 20.531 22.724 -14.576 337 HA GLU 44 HA GLU 44 17.809 23.086 -15.349 338 1HB GLU 44 2HB GLU 44 20.424 23.480 -16.869 339 2HB GLU 44 3HB GLU 44 18.847 23.919 -17.495 340 1HG GLU 44 2HG GLU 44 18.992 25.057 -14.880 341 2HG GLU 44 3HG GLU 44 20.545 25.377 -15.627 342 H VAL 45 HN VAL 45 20.628 21.112 -16.525 343 HA VAL 45 HA VAL 45 19.530 19.769 -18.560 344 HB VAL 45 HB VAL 45 21.699 19.221 -18.171 345 1HG1 VAL 45 1HG1 VAL 45 22.292 18.269 -15.722 346 2HG1 VAL 45 2HG1 VAL 45 22.354 19.999 -16.135 347 3HG1 VAL 45 3HG1 VAL 45 20.930 19.334 -15.297 348 1HG2 VAL 45 1HG2 VAL 45 20.708 16.834 -16.653 349 2HG2 VAL 45 2HG2 VAL 45 20.081 17.130 -18.293 350 3HG2 VAL 45 3HG2 VAL 45 21.831 16.927 -18.031 351 H LEU 46 HN LEU 46 18.649 19.521 -15.138 352 HA LEU 46 HA LEU 46 17.094 17.132 -15.590 353 1HB LEU 46 2HB LEU 46 17.005 18.814 -13.112 354 2HB LEU 46 3HB LEU 46 16.756 17.089 -13.293 355 HG LEU 46 HG LEU 46 19.457 18.263 -13.887 356 1HD1 LEU 46 1HD1 LEU 46 18.556 17.494 -11.101 357 2HD1 LEU 46 2HD1 LEU 46 20.143 18.129 -11.599 358 3HD1 LEU 46 3HD1 LEU 46 18.702 19.170 -11.684 359 1HD2 LEU 46 1HD2 LEU 46 18.296 15.588 -13.341 360 2HD2 LEU 46 2HD2 LEU 46 19.633 16.071 -14.412 361 3HD2 LEU 46 3HD2 LEU 46 19.909 15.913 -12.660 362 H ARG 47 HN ARG 47 16.393 20.526 -14.481 363 HA ARG 47 HA ARG 47 13.677 20.274 -14.724 364 1HB ARG 47 2HB ARG 47 15.487 22.724 -14.985 365 2HB ARG 47 3HB ARG 47 13.741 22.842 -14.899 366 1HG ARG 47 2HG ARG 47 14.070 21.308 -12.724 367 2HG ARG 47 3HG ARG 47 15.692 21.969 -12.764 368 1HD ARG 47 2HD ARG 47 13.195 23.723 -12.872 369 2HD ARG 47 3HD ARG 47 13.986 23.290 -11.369 370 HE ARG 47 HE ARG 47 15.897 24.603 -11.995 371 1HH1 ARG 47 1HH1 ARG 47 15.956 27.049 -14.482 372 2HH1 ARG 47 2HH1 ARG 47 16.753 26.424 -13.078 373 1HH2 ARG 47 1HH2 ARG 47 14.017 26.040 -15.262 374 2HH2 ARG 47 2HH2 ARG 47 13.368 24.660 -14.440 375 H GLU 48 HN GLU 48 16.043 21.827 -17.023 376 HA GLU 48 HA GLU 48 14.546 22.662 -18.977 377 1HB GLU 48 2HB GLU 48 17.012 22.595 -19.065 378 2HB GLU 48 3HB GLU 48 16.983 20.863 -19.334 379 1HG GLU 48 2HG GLU 48 16.067 21.084 -21.521 380 2HG GLU 48 3HG GLU 48 15.481 22.708 -21.218 381 H GLN 49 HN GLN 49 15.241 19.165 -18.386 382 HA GLN 49 HA GLN 49 12.939 18.602 -20.078 383 1HB GLN 49 2HB GLN 49 14.104 16.559 -20.915 384 2HB GLN 49 3HB GLN 49 14.919 18.035 -21.391 385 1HG GLN 49 2HG GLN 49 16.263 17.628 -19.097 386 2HG GLN 49 3HG GLN 49 15.763 15.969 -19.359 387 1HE2 GLN 49 1HE2 GLN 49 16.104 15.114 -21.601 388 2HE2 GLN 49 2HE2 GLN 49 17.591 15.501 -22.403 389 H ALA 50 HN ALA 50 12.536 18.946 -17.418 390 HA ALA 50 HA ALA 50 13.026 16.611 -15.888 391 1HB ALA 50 1HB ALA 50 12.732 18.431 -14.520 392 2HB ALA 50 2HB ALA 50 11.551 19.196 -15.610 393 3HB ALA 50 3HB ALA 50 11.047 17.859 -14.549 394 H GLY 51 HN GLY 51 9.711 17.892 -16.204 395 1HA GLY 51 1HA GLY 51 8.333 15.598 -16.054 396 2HA GLY 51 2HA GLY 51 7.817 16.959 -17.029 397 H GLY 52 HN GLY 52 10.100 16.821 -18.933 398 1HA GLY 52 1HA GLY 52 8.991 15.151 -20.870 399 2HA GLY 52 2HA GLY 52 10.592 15.864 -20.904 400 H ASP 53 HN ASP 53 11.744 14.077 -21.702 401 HA ASP 53 HA ASP 53 11.776 11.809 -19.871 402 1HB ASP 53 2HB ASP 53 10.710 11.076 -21.928 403 2HB ASP 53 3HB ASP 53 11.923 11.867 -22.913 404 H ALA 54 HN ALA 54 13.801 11.788 -18.883 405 HA ALA 54 HA ALA 54 16.073 12.728 -20.497 406 1HB ALA 54 1HB ALA 54 16.025 12.718 -17.478 407 2HB ALA 54 2HB ALA 54 16.978 13.731 -18.589 408 3HB ALA 54 3HB ALA 54 15.236 14.036 -18.380 409 H THR 55 HN THR 55 14.773 9.997 -20.312 410 HA THR 55 HA THR 55 16.267 8.319 -18.657 411 HB THR 55 HB THR 55 14.720 7.991 -21.265 412 HG1 THR 55 HG1 THR 55 13.845 8.423 -18.978 413 1HG2 THR 55 1HG2 THR 55 16.675 6.190 -20.668 414 2HG2 THR 55 2HG2 THR 55 15.412 5.617 -19.551 415 3HG2 THR 55 3HG2 THR 55 15.088 5.690 -21.300 416 H GLU 56 HN GLU 56 16.740 8.898 -22.213 417 HA GLU 56 HA GLU 56 19.163 7.551 -22.240 418 1HB GLU 56 2HB GLU 56 18.050 9.686 -24.111 419 2HB GLU 56 3HB GLU 56 19.479 8.732 -24.461 420 1HG GLU 56 2HG GLU 56 17.232 7.027 -23.630 421 2HG GLU 56 3HG GLU 56 16.802 8.020 -25.008 422 H ASN 57 HN ASN 57 18.297 10.993 -21.695 423 HA ASN 57 HA ASN 57 20.866 11.998 -21.885 424 1HB ASN 57 2HB ASN 57 18.241 12.879 -20.768 425 2HB ASN 57 3HB ASN 57 19.626 13.644 -20.016 426 1HD2 ASN 57 1HD2 ASN 57 21.146 14.773 -21.317 427 2HD2 ASN 57 2HD2 ASN 57 20.689 15.483 -22.830 428 H PHE 58 HN PHE 58 19.194 10.088 -19.455 429 HA PHE 58 HA PHE 58 20.988 10.873 -17.326 430 1HB PHE 58 2HB PHE 58 18.776 10.410 -16.568 431 2HB PHE 58 3HB PHE 58 18.520 9.172 -17.780 432 HD1 PHE 58 HD1 PHE 58 19.391 9.827 -14.383 433 HD2 PHE 58 HD2 PHE 58 19.723 6.936 -17.471 434 HE1 PHE 58 HE1 PHE 58 19.864 8.052 -12.671 435 HE2 PHE 58 HE2 PHE 58 20.196 5.162 -15.761 436 HZ PHE 58 HZ PHE 58 20.263 5.741 -13.382 437 H GLU 59 HN GLU 59 20.336 8.079 -19.504 438 HA GLU 59 HA GLU 59 22.288 6.484 -18.197 439 1HB GLU 59 2HB GLU 59 20.676 6.163 -20.756 440 2HB GLU 59 3HB GLU 59 21.873 4.982 -20.263 441 1HG GLU 59 2HG GLU 59 20.536 5.153 -17.921 442 2HG GLU 59 3HG GLU 59 19.236 5.667 -18.978 443 H ASP 60 HN ASP 60 22.112 8.628 -21.053 444 HA ASP 60 HA ASP 60 24.364 7.824 -22.355 445 1HB ASP 60 2HB ASP 60 22.711 9.540 -23.148 446 2HB ASP 60 3HB ASP 60 23.335 10.675 -21.968 447 H VAL 61 HN VAL 61 23.908 10.166 -19.625 448 HA VAL 61 HA VAL 61 26.629 10.933 -19.507 449 HB VAL 61 HB VAL 61 26.003 12.087 -17.526 450 1HG1 VAL 61 1HG1 VAL 61 23.595 12.960 -18.351 451 2HG1 VAL 61 2HG1 VAL 61 25.117 13.398 -19.164 452 3HG1 VAL 61 3HG1 VAL 61 24.101 12.091 -19.819 453 1HG2 VAL 61 1HG2 VAL 61 23.253 11.249 -17.183 454 2HG2 VAL 61 2HG2 VAL 61 24.354 9.860 -17.028 455 3HG2 VAL 61 3HG2 VAL 61 24.580 11.294 -15.999 456 H GLY 62 HN GLY 62 24.891 8.081 -18.590 457 1HA GLY 62 1HA GLY 62 25.528 6.206 -17.530 458 2HA GLY 62 2HA GLY 62 27.188 6.732 -17.727 459 H HIS 63 HN HIS 63 24.286 6.949 -15.625 460 HA HIS 63 HA HIS 63 25.614 8.400 -13.591 461 1HB HIS 63 2HB HIS 63 23.007 6.922 -13.824 462 2HB HIS 63 3HB HIS 63 23.564 7.461 -12.252 463 HD1 HIS 63 HD1 HIS 63 22.899 8.959 -15.720 464 HD2 HIS 63 HD2 HIS 63 22.893 10.049 -11.669 465 HE1 HIS 63 HE1 HIS 63 22.006 11.348 -15.623 466 H SER 64 HN SER 64 26.608 7.679 -11.687 467 HA SER 64 HA SER 64 27.553 4.982 -11.862 468 1HB SER 64 2HB SER 64 28.198 7.336 -10.049 469 2HB SER 64 3HB SER 64 28.868 5.743 -9.756 470 HG SER 64 HG SER 64 29.767 7.619 -11.464 471 H THR 65 HN THR 65 27.723 3.760 -9.598 472 HA THR 65 HA THR 65 25.210 2.999 -8.820 473 HB THR 65 HB THR 65 28.002 2.834 -7.667 474 HG1 THR 65 HG1 THR 65 25.823 1.223 -8.736 475 1HG2 THR 65 1HG2 THR 65 26.298 3.024 -5.715 476 2HG2 THR 65 2HG2 THR 65 25.571 1.531 -6.356 477 3HG2 THR 65 3HG2 THR 65 27.255 1.525 -5.781 478 H ASP 66 HN ASP 66 27.325 5.486 -7.269 479 HA ASP 66 HA ASP 66 25.984 6.055 -5.081 480 1HB ASP 66 2HB ASP 66 27.363 7.744 -7.134 481 2HB ASP 66 3HB ASP 66 26.374 8.617 -5.983 482 H ALA 67 HN ALA 67 25.020 6.857 -8.457 483 HA ALA 67 HA ALA 67 22.784 8.447 -7.687 484 1HB ALA 67 1HB ALA 67 24.107 8.613 -9.844 485 2HB ALA 67 2HB ALA 67 23.343 7.087 -10.349 486 3HB ALA 67 3HB ALA 67 22.341 8.527 -10.054 487 H ARG 68 HN ARG 68 23.304 5.048 -8.818 488 HA ARG 68 HA ARG 68 20.772 4.258 -9.109 489 1HB ARG 68 2HB ARG 68 23.248 2.880 -8.053 490 2HB ARG 68 3HB ARG 68 21.732 2.004 -7.985 491 1HG ARG 68 2HG ARG 68 21.786 3.143 -10.581 492 2HG ARG 68 3HG ARG 68 23.426 2.593 -10.304 493 1HD ARG 68 2HD ARG 68 22.404 0.350 -9.521 494 2HD ARG 68 3HD ARG 68 20.873 0.931 -10.145 495 HE ARG 68 HE ARG 68 23.105 -0.044 -11.713 496 1HH1 ARG 68 1HH1 ARG 68 21.781 0.985 -14.772 497 2HH1 ARG 68 2HH1 ARG 68 22.962 -0.013 -13.994 498 1HH2 ARG 68 1HH2 ARG 68 20.343 2.290 -13.500 499 2HH2 ARG 68 2HH2 ARG 68 20.452 2.265 -11.773 500 H GLU 69 HN GLU 69 22.559 4.817 -6.050 501 HA GLU 69 HA GLU 69 20.593 3.636 -4.422 502 1HB GLU 69 2HB GLU 69 23.203 4.603 -4.089 503 2HB GLU 69 3HB GLU 69 22.240 5.709 -3.131 504 1HG GLU 69 2HG GLU 69 21.356 3.951 -1.765 505 2HG GLU 69 3HG GLU 69 21.825 2.707 -2.907 506 H LEU 70 HN LEU 70 21.491 7.084 -5.149 507 HA LEU 70 HA LEU 70 19.452 8.235 -3.660 508 1HB LEU 70 2HB LEU 70 21.277 9.065 -5.843 509 2HB LEU 70 3HB LEU 70 19.850 10.053 -5.603 510 HG LEU 70 HG LEU 70 20.534 10.820 -3.547 511 1HD1 LEU 70 1HD1 LEU 70 20.741 8.869 -2.273 512 2HD1 LEU 70 2HD1 LEU 70 22.068 8.238 -3.278 513 3HD1 LEU 70 3HD1 LEU 70 22.352 9.620 -2.193 514 1HD2 LEU 70 1HD2 LEU 70 22.601 10.647 -5.543 515 2HD2 LEU 70 2HD2 LEU 70 22.237 11.959 -4.397 516 3HD2 LEU 70 3HD2 LEU 70 23.321 10.631 -3.915 517 H SER 71 HN SER 71 19.562 7.728 -7.262 518 HA SER 71 HA SER 71 17.132 8.505 -7.921 519 1HB SER 71 2HB SER 71 17.162 6.454 -9.569 520 2HB SER 71 3HB SER 71 18.403 7.684 -9.701 521 HG SER 71 HG SER 71 18.600 5.054 -8.544 522 H LYS 72 HN LYS 72 17.906 5.152 -6.730 523 HA LYS 72 HA LYS 72 15.269 4.262 -6.690 524 1HB LYS 72 2HB LYS 72 17.881 3.379 -5.604 525 2HB LYS 72 3HB LYS 72 16.472 2.761 -4.767 526 1HG LYS 72 2HG LYS 72 16.109 2.666 -7.683 527 2HG LYS 72 3HG LYS 72 17.549 1.797 -7.193 528 1HD LYS 72 2HD LYS 72 15.482 1.131 -5.308 529 2HD LYS 72 3HD LYS 72 14.777 1.004 -6.906 530 1HE LYS 72 2HE LYS 72 16.243 -0.700 -7.580 531 2HE LYS 72 3HE LYS 72 17.515 -0.190 -6.488 532 1HZ LYS 72 1HZ LYS 72 15.397 -2.002 -6.024 533 2HZ LYS 72 2HZ LYS 72 16.776 -1.784 -5.175 534 3HZ LYS 72 3HZ LYS 72 15.465 -0.862 -4.856 535 H THR 73 HN THR 73 17.216 6.140 -4.351 536 HA THR 73 HA THR 73 15.287 5.906 -2.256 537 HB THR 73 HB THR 73 17.930 7.168 -2.786 538 HG1 THR 73 HG1 THR 73 17.327 5.250 -1.427 539 1HG2 THR 73 1HG2 THR 73 16.591 9.210 -2.148 540 2HG2 THR 73 2HG2 THR 73 16.010 8.343 -0.707 541 3HG2 THR 73 3HG2 THR 73 17.739 8.734 -0.874 542 H TYR 74 HN TYR 74 15.760 8.031 -5.047 543 HA TYR 74 HA TYR 74 13.689 9.817 -4.006 544 1HB TYR 74 2HB TYR 74 15.821 9.789 -6.201 545 2HB TYR 74 3HB TYR 74 14.504 10.937 -6.319 546 HD1 TYR 74 HD1 TYR 74 17.422 9.917 -4.273 547 HD2 TYR 74 HD2 TYR 74 14.436 12.906 -4.947 548 HE1 TYR 74 HE1 TYR 74 18.673 11.521 -2.750 549 HE2 TYR 74 HE2 TYR 74 15.697 14.500 -3.421 550 HH TYR 74 HH TYR 74 18.825 14.081 -2.568 551 H ILE 75 HN ILE 75 12.900 7.135 -4.745 552 HA ILE 75 HA ILE 75 11.523 7.647 -7.285 553 HB ILE 75 HB ILE 75 13.070 5.694 -7.139 554 1HG1 ILE 75 2HG1 ILE 75 11.547 4.153 -8.270 555 2HG1 ILE 75 3HG1 ILE 75 10.157 5.015 -7.640 556 1HG2 ILE 75 1HG2 ILE 75 12.141 5.250 -4.677 557 2HG2 ILE 75 2HG2 ILE 75 11.046 4.172 -5.574 558 3HG2 ILE 75 3HG2 ILE 75 12.807 3.955 -5.701 559 1HD1 ILE 75 1HD1 ILE 75 11.377 5.537 -10.069 560 2HD1 ILE 75 2HD1 ILE 75 10.331 6.680 -9.193 561 3HD1 ILE 75 3HD1 ILE 75 12.100 6.778 -9.018 562 H ILE 76 HN ILE 76 9.275 7.548 -7.394 563 HA ILE 76 HA ILE 76 7.937 7.111 -4.817 564 HB ILE 76 HB ILE 76 6.563 8.962 -5.119 565 1HG1 ILE 76 2HG1 ILE 76 6.342 8.432 -7.671 566 2HG1 ILE 76 3HG1 ILE 76 6.046 10.052 -7.072 567 1HG2 ILE 76 1HG2 ILE 76 9.384 9.672 -5.951 568 2HG2 ILE 76 2HG2 ILE 76 8.150 10.873 -5.499 569 3HG2 ILE 76 3HG2 ILE 76 8.690 9.662 -4.312 570 1HD1 ILE 76 1HD1 ILE 76 7.476 10.276 -9.001 571 2HD1 ILE 76 2HD1 ILE 76 8.498 10.588 -7.577 572 3HD1 ILE 76 3HD1 ILE 76 8.582 9.014 -8.406 573 H GLY 77 HN GLY 77 7.980 6.837 -8.371 574 1HA GLY 77 1HA GLY 77 6.616 4.443 -8.473 575 2HA GLY 77 2HA GLY 77 5.385 5.682 -8.606 576 H GLU 78 HN GLU 78 5.156 4.596 -10.822 577 HA GLU 78 HA GLU 78 7.108 5.788 -12.636 578 1HB GLU 78 2HB GLU 78 6.791 3.943 -14.152 579 2HB GLU 78 3HB GLU 78 7.069 3.254 -12.564 580 1HG GLU 78 2HG GLU 78 4.611 2.972 -12.243 581 2HG GLU 78 3HG GLU 78 4.313 3.696 -13.811 582 H LEU 79 HN LEU 79 6.056 6.095 -14.960 583 HA LEU 79 HA LEU 79 3.506 7.450 -14.478 584 1HB LEU 79 2HB LEU 79 4.062 8.953 -16.130 585 2HB LEU 79 3HB LEU 79 5.582 8.672 -15.305 586 HG LEU 79 HG LEU 79 6.026 8.758 -17.643 587 1HD1 LEU 79 1HD1 LEU 79 6.046 5.828 -16.873 588 2HD1 LEU 79 2HD1 LEU 79 7.103 6.648 -18.048 589 3HD1 LEU 79 3HD1 LEU 79 7.231 7.034 -16.315 590 1HD2 LEU 79 1HD2 LEU 79 3.465 7.803 -17.990 591 2HD2 LEU 79 2HD2 LEU 79 4.676 8.042 -19.272 592 3HD2 LEU 79 3HD2 LEU 79 4.474 6.439 -18.527 593 H HIS 80 HN HIS 80 1.736 7.171 -15.954 594 HA HIS 80 HA HIS 80 1.126 4.632 -16.592 595 1HB HIS 80 2HB HIS 80 -0.077 7.091 -16.841 596 2HB HIS 80 3HB HIS 80 0.069 6.598 -18.516 597 HD1 HIS 80 HD1 HIS 80 -2.534 6.309 -18.670 598 HD2 HIS 80 HD2 HIS 80 -0.655 3.776 -15.904 599 HE1 HIS 80 HE1 HIS 80 -4.255 4.531 -18.045 600 HA PRO 81 HA PRO 81 3.860 3.829 -19.912 601 1HB PRO 81 2HB PRO 81 3.355 1.152 -20.127 602 2HB PRO 81 3HB PRO 81 4.525 1.819 -19.007 603 1HG PRO 81 2HG PRO 81 1.829 0.746 -18.448 604 2HG PRO 81 3HG PRO 81 3.155 1.015 -17.335 605 1HD PRO 81 2HD PRO 81 0.816 2.646 -17.643 606 2HD PRO 81 3HD PRO 81 2.196 2.976 -16.615 607 H ASP 82 HN ASP 82 0.544 3.831 -19.869 608 HA ASP 82 HA ASP 82 0.223 2.818 -22.498 609 1HB ASP 82 2HB ASP 82 -1.470 3.050 -20.432 610 2HB ASP 82 3HB ASP 82 -1.798 4.615 -21.148 611 H ASP 83 HN ASP 83 0.451 6.006 -20.831 612 HA ASP 83 HA ASP 83 0.131 7.336 -23.383 613 1HB ASP 83 2HB ASP 83 0.096 8.223 -20.482 614 2HB ASP 83 3HB ASP 83 0.363 9.411 -21.743 615 H ARG 84 HN ARG 84 2.545 5.700 -22.617 616 HA ARG 84 HA ARG 84 4.561 7.466 -21.800 617 1HB ARG 84 2HB ARG 84 6.082 5.615 -22.256 618 2HB ARG 84 3HB ARG 84 4.617 4.939 -21.572 619 1HG ARG 84 2HG ARG 84 4.176 3.745 -23.457 620 2HG ARG 84 3HG ARG 84 4.383 5.150 -24.483 621 1HD ARG 84 2HD ARG 84 6.993 4.721 -23.898 622 2HD ARG 84 3HD ARG 84 6.414 3.084 -23.658 623 HE ARG 84 HE ARG 84 6.611 4.507 -26.205 624 1HH1 ARG 84 1HH1 ARG 84 5.178 1.887 -28.013 625 2HH1 ARG 84 2HH1 ARG 84 6.064 3.373 -28.112 626 1HH2 ARG 84 1HH2 ARG 84 4.551 1.048 -25.942 627 2HH2 ARG 84 2HH2 ARG 84 4.965 1.907 -24.497 628 H SER 85 HN SER 85 2.776 7.402 -24.619 629 HA SER 85 HA SER 85 5.008 7.931 -26.369 630 1HB SER 85 2HB SER 85 2.067 7.394 -26.728 631 2HB SER 85 3HB SER 85 2.889 8.299 -27.984 632 HG SER 85 HG SER 85 4.241 6.567 -28.417 633 H LYS 86 HN LYS 86 4.947 9.828 -24.371 634 HA LYS 86 HA LYS 86 3.396 12.081 -25.346 635 1HB LYS 86 2HB LYS 86 4.056 13.171 -23.291 636 2HB LYS 86 3HB LYS 86 3.426 11.575 -22.939 637 1HG LYS 86 2HG LYS 86 5.343 11.376 -21.688 638 2HG LYS 86 3HG LYS 86 6.064 10.942 -23.226 639 1HD LYS 86 2HD LYS 86 5.993 13.834 -23.027 640 2HD LYS 86 3HD LYS 86 6.690 13.192 -21.553 641 1HE LYS 86 2HE LYS 86 8.363 11.917 -22.826 642 2HE LYS 86 3HE LYS 86 7.601 12.348 -24.344 643 1HZ LYS 86 1HZ LYS 86 8.914 14.100 -24.331 644 2HZ LYS 86 2HZ LYS 86 8.069 14.714 -23.077 645 3HZ LYS 86 3HZ LYS 86 9.419 13.838 -22.801 646 H ILE 87 HN ILE 87 5.676 10.798 -26.889 647 HA ILE 87 HA ILE 87 7.791 12.729 -26.725 648 HB ILE 87 HB ILE 87 7.861 10.204 -27.346 649 1HG1 ILE 87 2HG1 ILE 87 9.889 10.651 -28.771 650 2HG1 ILE 87 3HG1 ILE 87 9.467 12.352 -28.757 651 1HG2 ILE 87 1HG2 ILE 87 7.160 11.469 -30.006 652 2HG2 ILE 87 2HG2 ILE 87 7.918 9.869 -29.827 653 3HG2 ILE 87 3HG2 ILE 87 6.297 10.166 -29.154 654 1HD1 ILE 87 1HD1 ILE 87 9.319 11.488 -26.040 655 2HD1 ILE 87 2HD1 ILE 87 10.819 10.805 -26.713 656 3HD1 ILE 87 3HD1 ILE 87 10.536 12.561 -26.774 657 H ALA 88 HN ALA 88 4.731 12.341 -28.406 658 HA ALA 88 HA ALA 88 5.407 14.124 -30.541 659 1HB ALA 88 1HB ALA 88 3.654 12.974 -31.358 660 2HB ALA 88 2HB ALA 88 3.220 12.370 -29.741 661 3HB ALA 88 3HB ALA 88 2.611 13.948 -30.294 662 HHA HEM 95 HA HEM 95 27.030 12.999 -12.876 663 HHB HEM 95 HB HEM 95 22.873 11.131 -8.475 664 HHC HEM 95 HC HEM 95 18.095 12.645 -12.419 665 HHD HEM 95 HD HEM 95 22.303 14.554 -16.752 666 1HMA HEM 95 1HMA HEM 95 25.754 11.570 -7.465 667 2HMA HEM 95 2HMA HEM 95 26.370 10.076 -8.276 668 3HMA HEM 95 3HMA HEM 95 24.636 10.193 -7.848 669 1HAA HEM 95 1HAA HEM 95 28.308 11.986 -9.956 670 2HAA HEM 95 2HAA HEM 95 27.924 11.123 -11.556 671 1HBA HEM 95 1HBA HEM 95 28.462 9.364 -10.922 672 2HBA HEM 95 2HBA HEM 95 26.907 9.318 -10.016 673 1HMB HEM 95 1HMB HEM 95 20.093 11.741 -7.096 674 2HMB HEM 95 2HMB HEM 95 21.150 10.365 -7.623 675 3HMB HEM 95 3HMB HEM 95 19.381 10.208 -7.761 676 HAB HEM 95 HAB HEM 95 17.420 12.555 -9.658 677 1HBB HEM 95 HBB HEM 95 17.541 9.472 -9.662 678 2HBB HEM 95 HBB HEM 95 16.060 10.607 -9.450 679 1HMC HEM 95 1HMC HEM 95 17.005 14.251 -14.590 680 2HMC HEM 95 2HMC HEM 95 17.209 12.468 -14.333 681 3HMC HEM 95 3HMC HEM 95 17.311 13.146 -15.986 682 HAC HEM 95 HAC HEM 95 20.532 14.514 -17.675 683 1HBC HEM 95 HBC HEM 95 17.769 15.355 -16.581 684 2HBC HEM 95 HBC HEM 95 18.475 15.638 -18.298 685 1HMD HEM 95 1HMD HEM 95 24.706 16.236 -16.859 686 2HMD HEM 95 2HMD HEM 95 24.454 14.714 -17.812 687 3HMD HEM 95 3HMD HEM 95 26.120 15.225 -17.344 688 1HAD HEM 95 1HAD HEM 95 27.921 14.046 -14.117 689 2HAD HEM 95 2HAD HEM 95 27.549 15.319 -15.311 690 1HBD HEM 95 1HBD HEM 95 28.034 13.925 -17.166 691 2HBD HEM 95 2HBD HEM 95 27.612 12.428 -16.317 Start of MODEL 6 1 H VAL 4 HN VAL 4 2.544 -1.145 -8.384 2 HA VAL 4 HA VAL 4 4.264 0.948 -7.331 3 HB VAL 4 HB VAL 4 4.659 -0.679 -9.358 4 1HG1 VAL 4 1HG1 VAL 4 3.215 1.623 -10.715 5 2HG1 VAL 4 2HG1 VAL 4 4.034 0.258 -11.512 6 3HG1 VAL 4 3HG1 VAL 4 2.573 -0.028 -10.535 7 1HG2 VAL 4 1HG2 VAL 4 5.493 1.988 -10.224 8 2HG2 VAL 4 2HG2 VAL 4 5.775 1.712 -8.488 9 3HG2 VAL 4 3HG2 VAL 4 6.470 0.599 -9.691 10 H LYS 5 HN LYS 5 4.013 3.169 -8.532 11 HA LYS 5 HA LYS 5 1.146 3.803 -8.495 12 1HB LYS 5 2HB LYS 5 2.680 4.742 -6.668 13 2HB LYS 5 3HB LYS 5 3.399 5.734 -7.920 14 1HG LYS 5 2HG LYS 5 1.672 7.089 -6.968 15 2HG LYS 5 3HG LYS 5 1.024 6.535 -8.498 16 1HD LYS 5 2HD LYS 5 0.496 4.771 -6.131 17 2HD LYS 5 3HD LYS 5 -0.324 6.320 -6.134 18 1HE LYS 5 2HE LYS 5 -0.484 5.089 -8.784 19 2HE LYS 5 3HE LYS 5 -1.072 3.976 -7.564 20 1HZ LYS 5 1HZ LYS 5 -2.010 6.596 -7.099 21 2HZ LYS 5 2HZ LYS 5 -2.420 6.091 -8.597 22 3HZ LYS 5 3HZ LYS 5 -2.859 5.215 -7.291 23 H TYR 6 HN TYR 6 0.262 4.332 -10.415 24 HA TYR 6 HA TYR 6 2.109 5.027 -12.577 25 1HB TYR 6 2HB TYR 6 -0.862 4.211 -12.435 26 2HB TYR 6 3HB TYR 6 0.027 4.421 -13.931 27 HD1 TYR 6 HD1 TYR 6 2.521 3.036 -13.580 28 HD2 TYR 6 HD2 TYR 6 -1.351 1.970 -12.104 29 HE1 TYR 6 HE1 TYR 6 3.214 0.592 -13.506 30 HE2 TYR 6 HE2 TYR 6 -0.644 -0.471 -12.035 31 HH TYR 6 HH TYR 6 2.467 -1.448 -12.117 32 H TYR 7 HN TYR 7 2.324 7.134 -13.130 33 HA TYR 7 HA TYR 7 0.117 8.931 -12.407 34 1HB TYR 7 2HB TYR 7 3.041 9.479 -13.199 35 2HB TYR 7 3HB TYR 7 1.949 10.628 -12.453 36 HD1 TYR 7 HD1 TYR 7 4.701 8.678 -11.804 37 HD2 TYR 7 HD2 TYR 7 0.864 9.562 -10.130 38 HE1 TYR 7 HE1 TYR 7 5.538 7.990 -9.504 39 HE2 TYR 7 HE2 TYR 7 1.714 8.870 -7.837 40 HH TYR 7 HH TYR 7 4.147 8.833 -6.755 41 H THR 8 HN THR 8 -0.315 10.759 -13.926 42 HA THR 8 HA THR 8 -0.264 9.747 -16.659 43 HB THR 8 HB THR 8 -1.839 11.862 -16.853 44 HG1 THR 8 HG1 THR 8 -2.138 11.335 -14.038 45 1HG2 THR 8 1HG2 THR 8 -2.704 9.479 -16.711 46 2HG2 THR 8 2HG2 THR 8 -2.644 9.611 -14.937 47 3HG2 THR 8 3HG2 THR 8 -3.749 10.649 -15.870 48 H LEU 9 HN LEU 9 0.567 10.874 -18.442 49 HA LEU 9 HA LEU 9 3.005 12.068 -18.064 50 1HB LEU 9 2HB LEU 9 3.055 12.362 -20.333 51 2HB LEU 9 3HB LEU 9 1.899 11.057 -20.150 52 HG LEU 9 HG LEU 9 1.174 13.970 -20.576 53 1HD1 LEU 9 1HD1 LEU 9 1.558 11.680 -22.479 54 2HD1 LEU 9 2HD1 LEU 9 0.356 12.946 -22.832 55 3HD1 LEU 9 3HD1 LEU 9 2.070 13.379 -22.619 56 1HD2 LEU 9 1HD2 LEU 9 -0.470 12.543 -19.293 57 2HD2 LEU 9 2HD2 LEU 9 -1.085 13.285 -20.790 58 3HD2 LEU 9 3HD2 LEU 9 -0.642 11.561 -20.768 59 H GLU 10 HN GLU 10 -0.185 13.373 -17.571 60 HA GLU 10 HA GLU 10 0.383 16.045 -18.085 61 1HB GLU 10 2HB GLU 10 -1.817 14.499 -17.151 62 2HB GLU 10 3HB GLU 10 -1.542 15.721 -15.923 63 1HG GLU 10 2HG GLU 10 -1.607 17.505 -17.658 64 2HG GLU 10 3HG GLU 10 -1.824 16.299 -18.911 65 H GLU 11 HN GLU 11 0.953 13.920 -15.275 66 HA GLU 11 HA GLU 11 1.394 15.895 -13.398 67 1HB GLU 11 2HB GLU 11 1.682 13.036 -13.609 68 2HB GLU 11 3HB GLU 11 3.152 13.670 -12.897 69 1HG GLU 11 2HG GLU 11 2.024 13.746 -10.924 70 2HG GLU 11 3HG GLU 11 1.159 15.124 -11.577 71 H ILE 12 HN ILE 12 4.029 13.850 -14.839 72 HA ILE 12 HA ILE 12 6.170 15.250 -14.181 73 HB ILE 12 HB ILE 12 6.793 14.688 -16.775 74 1HG1 ILE 12 2HG1 ILE 12 4.224 13.931 -16.805 75 2HG1 ILE 12 3HG1 ILE 12 5.468 13.138 -17.751 76 1HG2 ILE 12 1HG2 ILE 12 6.788 13.090 -14.236 77 2HG2 ILE 12 2HG2 ILE 12 7.318 12.337 -15.759 78 3HG2 ILE 12 3HG2 ILE 12 8.150 13.787 -15.147 79 1HD1 ILE 12 1HD1 ILE 12 5.022 12.182 -14.926 80 2HD1 ILE 12 2HD1 ILE 12 3.836 11.731 -16.175 81 3HD1 ILE 12 3HD1 ILE 12 5.545 11.266 -16.360 82 H GLN 13 HN GLN 13 3.902 16.144 -16.842 83 HA GLN 13 HA GLN 13 5.327 18.252 -17.828 84 1HB GLN 13 2HB GLN 13 2.363 17.650 -17.660 85 2HB GLN 13 3HB GLN 13 2.912 19.153 -18.374 86 1HG GLN 13 2HG GLN 13 4.515 16.969 -19.426 87 2HG GLN 13 3HG GLN 13 2.819 16.563 -19.594 88 1HE2 GLN 13 1HE2 GLN 13 1.707 17.381 -21.211 89 2HE2 GLN 13 2HE2 GLN 13 2.186 18.685 -22.245 90 H LYS 14 HN LYS 14 2.569 18.454 -15.453 91 HA LYS 14 HA LYS 14 3.053 21.142 -14.840 92 1HB LYS 14 2HB LYS 14 1.493 20.745 -12.974 93 2HB LYS 14 3HB LYS 14 0.888 20.125 -14.497 94 1HG LYS 14 2HG LYS 14 1.637 17.830 -13.883 95 2HG LYS 14 3HG LYS 14 2.301 18.437 -12.378 96 1HD LYS 14 2HD LYS 14 0.113 17.486 -11.900 97 2HD LYS 14 3HD LYS 14 -0.004 19.224 -11.714 98 1HE LYS 14 2HE LYS 14 -0.557 18.463 -14.486 99 2HE LYS 14 3HE LYS 14 -1.593 17.569 -13.392 100 1HZ LYS 14 1HZ LYS 14 -1.264 20.489 -13.436 101 2HZ LYS 14 2HZ LYS 14 -2.572 19.658 -13.953 102 3HZ LYS 14 3HZ LYS 14 -2.190 19.675 -12.365 103 H HIS 15 HN HIS 15 4.580 18.145 -13.841 104 HA HIS 15 HA HIS 15 5.804 19.474 -11.565 105 1HB HIS 15 2HB HIS 15 6.002 16.599 -12.508 106 2HB HIS 15 3HB HIS 15 6.686 17.241 -11.028 107 HD1 HIS 15 HD1 HIS 15 4.393 18.815 -9.812 108 HD2 HIS 15 HD2 HIS 15 3.856 15.116 -11.714 109 HE1 HIS 15 HE1 HIS 15 2.217 17.849 -8.894 110 H LYS 16 HN LYS 16 6.480 20.700 -13.963 111 HA LYS 16 HA LYS 16 9.164 19.640 -14.501 112 1HB LYS 16 2HB LYS 16 7.390 19.845 -16.376 113 2HB LYS 16 3HB LYS 16 7.671 21.571 -16.273 114 1HG LYS 16 2HG LYS 16 10.267 20.481 -16.302 115 2HG LYS 16 3HG LYS 16 9.382 19.465 -17.424 116 1HD LYS 16 2HD LYS 16 9.153 22.492 -17.570 117 2HD LYS 16 3HD LYS 16 10.499 21.662 -18.325 118 1HE LYS 16 2HE LYS 16 9.203 20.837 -20.025 119 2HE LYS 16 3HE LYS 16 7.890 20.409 -18.946 120 1HZ LYS 16 1HZ LYS 16 7.432 22.233 -20.546 121 2HZ LYS 16 2HZ LYS 16 7.104 22.599 -18.989 122 3HZ LYS 16 3HZ LYS 16 8.452 23.186 -19.699 123 H ASP 17 HN ASP 17 8.322 21.218 -12.125 124 HA ASP 17 HA ASP 17 10.022 23.520 -12.672 125 1HB ASP 17 2HB ASP 17 7.292 23.401 -11.583 126 2HB ASP 17 3HB ASP 17 8.385 24.185 -10.460 127 H SER 18 HN SER 18 10.867 24.419 -10.387 128 HA SER 18 HA SER 18 12.333 22.443 -9.206 129 1HB SER 18 2HB SER 18 12.439 25.109 -9.129 130 2HB SER 18 3HB SER 18 11.562 24.898 -7.625 131 HG SER 18 HG SER 18 13.945 24.941 -7.416 132 H LYS 19 HN LYS 19 9.271 24.030 -8.074 133 HA LYS 19 HA LYS 19 8.958 22.907 -5.649 134 1HB LYS 19 2HB LYS 19 7.415 24.526 -6.594 135 2HB LYS 19 3HB LYS 19 6.858 23.367 -7.785 136 1HG LYS 19 2HG LYS 19 6.601 22.071 -5.252 137 2HG LYS 19 3HG LYS 19 6.002 23.702 -5.020 138 1HD LYS 19 2HD LYS 19 5.130 22.127 -7.458 139 2HD LYS 19 3HD LYS 19 4.376 21.803 -5.910 140 1HE LYS 19 2HE LYS 19 3.986 24.374 -5.751 141 2HE LYS 19 3HE LYS 19 4.406 24.430 -7.451 142 1HZ LYS 19 1HZ LYS 19 1.988 23.707 -6.331 143 2HZ LYS 19 2HZ LYS 19 2.383 23.750 -7.915 144 3HZ LYS 19 3HZ LYS 19 2.580 22.372 -7.062 145 H SER 20 HN SER 20 7.969 21.380 -8.793 146 HA SER 20 HA SER 20 8.336 18.832 -7.442 147 1HB SER 20 2HB SER 20 5.931 19.798 -8.995 148 2HB SER 20 3HB SER 20 6.340 18.095 -9.040 149 HG SER 20 HG SER 20 6.241 18.066 -6.692 150 H THR 21 HN THR 21 10.368 18.522 -8.487 151 HA THR 21 HA THR 21 10.361 18.640 -11.412 152 HB THR 21 HB THR 21 12.458 18.654 -9.210 153 HG1 THR 21 HG1 THR 21 12.961 20.581 -10.538 154 1HG2 THR 21 1HG2 THR 21 13.652 18.907 -11.819 155 2HG2 THR 21 2HG2 THR 21 14.019 17.692 -10.572 156 3HG2 THR 21 3HG2 THR 21 12.762 17.365 -11.789 157 H TRP 22 HN TRP 22 9.723 16.870 -12.465 158 HA TRP 22 HA TRP 22 10.538 14.296 -11.296 159 1HB TRP 22 2HB TRP 22 7.969 15.202 -12.503 160 2HB TRP 22 3HB TRP 22 8.489 13.560 -12.826 161 HD1 TRP 22 HD1 TRP 22 9.466 14.791 -9.378 162 HE1 TRP 22 HE1 TRP 22 7.992 13.705 -7.477 163 HE3 TRP 22 HE3 TRP 22 6.020 12.732 -12.499 164 HZ2 TRP 22 HZ2 TRP 22 5.603 12.143 -7.492 165 HZ3 TRP 22 HZ3 TRP 22 4.148 11.442 -11.475 166 HH2 TRP 22 HH2 TRP 22 3.909 11.133 -9.062 167 H VAL 23 HN VAL 23 10.979 12.596 -12.987 168 HA VAL 23 HA VAL 23 11.426 13.545 -15.664 169 HB VAL 23 HB VAL 23 13.406 14.388 -14.545 170 1HG1 VAL 23 1HG1 VAL 23 13.347 12.711 -12.660 171 2HG1 VAL 23 2HG1 VAL 23 14.076 11.533 -13.776 172 3HG1 VAL 23 3HG1 VAL 23 14.959 13.018 -13.348 173 1HG2 VAL 23 1HG2 VAL 23 14.893 12.318 -15.823 174 2HG2 VAL 23 2HG2 VAL 23 13.385 12.551 -16.740 175 3HG2 VAL 23 3HG2 VAL 23 14.472 13.931 -16.448 176 H ILE 24 HN ILE 24 10.794 11.906 -16.964 177 HA ILE 24 HA ILE 24 10.279 9.350 -15.846 178 HB ILE 24 HB ILE 24 10.221 10.341 -18.698 179 1HG1 ILE 24 2HG1 ILE 24 7.811 9.897 -16.955 180 2HG1 ILE 24 3HG1 ILE 24 8.715 11.392 -16.825 181 1HG2 ILE 24 1HG2 ILE 24 10.371 7.766 -18.122 182 2HG2 ILE 24 2HG2 ILE 24 8.643 7.984 -17.755 183 3HG2 ILE 24 3HG2 ILE 24 9.266 8.377 -19.376 184 1HD1 ILE 24 1HD1 ILE 24 8.427 10.930 -19.617 185 2HD1 ILE 24 2HD1 ILE 24 6.843 10.568 -18.890 186 3HD1 ILE 24 3HD1 ILE 24 7.596 12.160 -18.635 187 H LEU 25 HN LEU 25 11.856 7.937 -15.314 188 HA LEU 25 HA LEU 25 14.118 7.749 -17.181 189 1HB LEU 25 2HB LEU 25 14.019 8.126 -14.294 190 2HB LEU 25 3HB LEU 25 14.966 6.723 -14.745 191 HG LEU 25 HG LEU 25 16.495 8.013 -16.014 192 1HD1 LEU 25 1HD1 LEU 25 16.012 10.624 -16.073 193 2HD1 LEU 25 2HD1 LEU 25 15.401 9.518 -17.327 194 3HD1 LEU 25 3HD1 LEU 25 14.325 10.058 -16.017 195 1HD2 LEU 25 1HD2 LEU 25 15.814 9.613 -13.531 196 2HD2 LEU 25 2HD2 LEU 25 16.799 8.132 -13.581 197 3HD2 LEU 25 3HD2 LEU 25 17.370 9.608 -14.394 198 H HIS 26 HN HIS 26 14.329 5.830 -18.206 199 HA HIS 26 HA HIS 26 13.646 3.827 -18.896 200 1HB HIS 26 2HB HIS 26 14.009 2.204 -16.681 201 2HB HIS 26 3HB HIS 26 15.226 2.663 -17.855 202 HD1 HIS 26 HD1 HIS 26 16.431 5.145 -17.195 203 HD2 HIS 26 HD2 HIS 26 14.728 2.843 -14.130 204 HE1 HIS 26 HE1 HIS 26 17.475 5.969 -15.018 205 H HIS 27 HN HIS 27 11.385 5.348 -18.323 206 HA HIS 27 HA HIS 27 9.221 5.126 -18.040 207 1HB HIS 27 2HB HIS 27 9.904 2.185 -17.850 208 2HB HIS 27 3HB HIS 27 8.258 2.783 -17.785 209 HD1 HIS 27 HD1 HIS 27 10.931 4.172 -20.118 210 HD2 HIS 27 HD2 HIS 27 7.434 1.859 -20.267 211 HE1 HIS 27 HE1 HIS 27 10.370 3.882 -22.590 212 H LYS 28 HN LYS 28 10.571 6.142 -15.919 213 HA LYS 28 HA LYS 28 8.844 5.498 -13.773 214 1HB LYS 28 2HB LYS 28 11.543 4.250 -13.825 215 2HB LYS 28 3HB LYS 28 11.062 4.995 -12.314 216 1HG LYS 28 2HG LYS 28 8.755 3.675 -12.857 217 2HG LYS 28 3HG LYS 28 9.857 2.638 -13.741 218 1HD LYS 28 2HD LYS 28 10.588 3.452 -10.923 219 2HD LYS 28 3HD LYS 28 9.358 2.224 -11.145 220 1HE LYS 28 2HE LYS 28 11.871 1.902 -12.760 221 2HE LYS 28 3HE LYS 28 12.018 1.651 -11.032 222 1HZ LYS 28 1HZ LYS 28 9.751 0.332 -11.727 223 2HZ LYS 28 2HZ LYS 28 10.774 0.011 -12.960 224 3HZ LYS 28 3HZ LYS 28 11.206 -0.346 -11.426 225 H VAL 29 HN VAL 29 8.380 7.496 -13.045 226 HA VAL 29 HA VAL 29 10.082 9.682 -13.620 227 HB VAL 29 HB VAL 29 8.426 10.987 -12.494 228 1HG1 VAL 29 1HG1 VAL 29 6.575 8.972 -13.623 229 2HG1 VAL 29 2HG1 VAL 29 6.809 10.685 -14.045 230 3HG1 VAL 29 3HG1 VAL 29 7.920 9.452 -14.685 231 1HG2 VAL 29 1HG2 VAL 29 6.923 8.561 -11.553 232 2HG2 VAL 29 2HG2 VAL 29 8.261 9.205 -10.574 233 3HG2 VAL 29 3HG2 VAL 29 6.863 10.237 -10.958 234 H TYR 30 HN TYR 30 11.467 10.867 -12.279 235 HA TYR 30 HA TYR 30 12.050 9.567 -9.703 236 1HB TYR 30 2HB TYR 30 13.651 10.724 -12.016 237 2HB TYR 30 3HB TYR 30 14.331 10.925 -10.414 238 HD1 TYR 30 HD1 TYR 30 12.400 7.937 -10.580 239 HD2 TYR 30 HD2 TYR 30 16.220 9.569 -11.603 240 HE1 TYR 30 HE1 TYR 30 13.378 5.592 -10.700 241 HE2 TYR 30 HE2 TYR 30 17.185 7.221 -11.720 242 HH TYR 30 HH TYR 30 15.837 4.650 -10.369 243 H ASP 31 HN ASP 31 11.172 10.821 -8.115 244 HA ASP 31 HA ASP 31 10.828 13.593 -8.513 245 1HB ASP 31 2HB ASP 31 9.341 12.132 -7.094 246 2HB ASP 31 3HB ASP 31 10.658 11.930 -5.955 247 H LEU 32 HN LEU 32 13.096 14.286 -8.901 248 HA LEU 32 HA LEU 32 14.842 14.044 -6.565 249 1HB LEU 32 2HB LEU 32 16.647 14.611 -8.069 250 2HB LEU 32 3HB LEU 32 15.759 13.210 -8.634 251 HG LEU 32 HG LEU 32 14.616 15.528 -9.863 252 1HD1 LEU 32 1HD1 LEU 32 17.453 15.411 -10.736 253 2HD1 LEU 32 2HD1 LEU 32 16.308 16.774 -10.707 254 3HD1 LEU 32 3HD1 LEU 32 17.113 16.255 -9.206 255 1HD2 LEU 32 1HD2 LEU 32 16.282 13.252 -10.973 256 2HD2 LEU 32 2HD2 LEU 32 14.513 13.281 -10.776 257 3HD2 LEU 32 3HD2 LEU 32 15.297 14.382 -11.933 258 H THR 33 HN THR 33 12.535 15.758 -6.427 259 HA THR 33 HA THR 33 13.115 18.406 -7.124 260 HB THR 33 HB THR 33 11.439 17.422 -4.765 261 HG1 THR 33 HG1 THR 33 11.345 17.120 -7.612 262 1HG2 THR 33 1HG2 THR 33 10.396 19.413 -6.707 263 2HG2 THR 33 2HG2 THR 33 10.348 19.443 -4.929 264 3HG2 THR 33 3HG2 THR 33 11.806 19.992 -5.789 265 H LYS 34 HN LYS 34 13.884 16.490 -4.177 266 HA LYS 34 HA LYS 34 15.010 18.753 -2.861 267 1HB LYS 34 2HB LYS 34 14.022 16.983 -1.560 268 2HB LYS 34 3HB LYS 34 15.068 15.780 -2.288 269 1HG LYS 34 2HG LYS 34 16.875 17.698 -1.314 270 2HG LYS 34 3HG LYS 34 15.629 17.658 -0.082 271 1HD LYS 34 2HD LYS 34 16.646 15.024 -1.146 272 2HD LYS 34 3HD LYS 34 17.687 15.927 -0.063 273 1HE LYS 34 2HE LYS 34 14.774 15.325 0.611 274 2HE LYS 34 3HE LYS 34 16.075 14.228 1.030 275 1HZ LYS 34 1HZ LYS 34 15.696 15.669 2.839 276 2HZ LYS 34 2HZ LYS 34 17.124 16.119 2.185 277 3HZ LYS 34 3HZ LYS 34 15.784 17.012 1.913 278 H TYR 35 HN TYR 35 16.221 16.005 -4.838 279 HA TYR 35 HA TYR 35 18.947 16.941 -4.501 280 1HB TYR 35 2HB TYR 35 18.275 14.498 -4.512 281 2HB TYR 35 3HB TYR 35 17.545 14.703 -6.092 282 HD1 TYR 35 HD1 TYR 35 18.823 14.438 -8.066 283 HD2 TYR 35 HD2 TYR 35 20.811 14.812 -4.296 284 HE1 TYR 35 HE1 TYR 35 21.031 13.814 -9.160 285 HE2 TYR 35 HE2 TYR 35 23.012 14.187 -5.403 286 HH TYR 35 HH TYR 35 23.691 12.866 -7.435 287 H LEU 36 HN LEU 36 16.640 18.423 -6.027 288 HA LEU 36 HA LEU 36 17.444 18.328 -8.750 289 1HB LEU 36 2HB LEU 36 15.199 18.883 -8.226 290 2HB LEU 36 3HB LEU 36 15.686 20.165 -7.136 291 HG LEU 36 HG LEU 36 14.760 20.946 -9.315 292 1HD1 LEU 36 1HD1 LEU 36 16.896 21.946 -7.842 293 2HD1 LEU 36 2HD1 LEU 36 17.441 22.056 -9.533 294 3HD1 LEU 36 3HD1 LEU 36 15.915 22.827 -9.038 295 1HD2 LEU 36 1HD2 LEU 36 17.147 19.459 -10.377 296 2HD2 LEU 36 2HD2 LEU 36 15.461 19.457 -10.946 297 3HD2 LEU 36 3HD2 LEU 36 16.499 20.873 -11.242 298 H GLU 37 HN GLU 37 18.026 20.587 -5.982 299 HA GLU 37 HA GLU 37 19.876 22.040 -7.643 300 1HB GLU 37 2HB GLU 37 18.595 22.470 -4.951 301 2HB GLU 37 3HB GLU 37 20.101 23.301 -5.284 302 1HG GLU 37 2HG GLU 37 18.348 23.530 -7.596 303 2HG GLU 37 3HG GLU 37 17.473 24.021 -6.159 304 H GLU 38 HN GLU 38 19.922 19.252 -5.740 305 HA GLU 38 HA GLU 38 22.512 19.735 -4.605 306 1HB GLU 38 2HB GLU 38 20.489 18.315 -3.638 307 2HB GLU 38 3HB GLU 38 21.151 17.036 -4.636 308 1HG GLU 38 2HG GLU 38 22.394 16.645 -2.724 309 2HG GLU 38 3HG GLU 38 23.458 17.812 -3.481 310 H HIS 39 HN HIS 39 21.078 18.386 -7.504 311 HA HIS 39 HA HIS 39 22.880 16.483 -8.242 312 1HB HIS 39 2HB HIS 39 20.726 17.285 -9.381 313 2HB HIS 39 3HB HIS 39 21.714 18.503 -10.163 314 HD1 HIS 39 HD1 HIS 39 21.787 17.673 -12.542 315 HD2 HIS 39 HD2 HIS 39 22.717 14.671 -9.763 316 HE1 HIS 39 HE1 HIS 39 22.537 15.648 -13.902 317 HA PRO 40 HA PRO 40 26.558 18.781 -8.629 318 1HB PRO 40 2HB PRO 40 28.195 16.743 -9.426 319 2HB PRO 40 3HB PRO 40 27.813 17.064 -7.747 320 1HG PRO 40 2HG PRO 40 26.795 14.914 -9.501 321 2HG PRO 40 3HG PRO 40 26.769 15.007 -7.751 322 1HD PRO 40 2HD PRO 40 24.563 15.462 -9.528 323 2HD PRO 40 3HD PRO 40 24.567 15.668 -7.788 324 H GLY 41 HN GLY 41 25.184 16.895 -11.176 325 1HA GLY 41 1HA GLY 41 26.873 17.803 -13.248 326 2HA GLY 41 2HA GLY 41 25.269 17.117 -13.413 327 H GLY 42 HN GLY 42 23.389 18.672 -12.680 328 1HA GLY 42 1HA GLY 42 23.832 21.470 -12.758 329 2HA GLY 42 2HA GLY 42 23.371 20.892 -14.347 330 H GLU 43 HN GLU 43 21.875 22.623 -12.385 331 HA GLU 43 HA GLU 43 19.753 20.910 -11.507 332 1HB GLU 43 2HB GLU 43 18.778 23.057 -10.625 333 2HB GLU 43 3HB GLU 43 20.392 22.722 -10.032 334 1HG GLU 43 2HG GLU 43 20.694 24.188 -12.485 335 2HG GLU 43 3HG GLU 43 19.461 25.011 -11.550 336 H GLU 44 HN GLU 44 20.627 22.699 -14.339 337 HA GLU 44 HA GLU 44 17.908 23.148 -15.130 338 1HB GLU 44 2HB GLU 44 19.733 24.770 -15.682 339 2HB GLU 44 3HB GLU 44 20.511 23.549 -16.671 340 1HG GLU 44 2HG GLU 44 18.981 23.756 -18.385 341 2HG GLU 44 3HG GLU 44 17.629 23.996 -17.296 342 H VAL 45 HN VAL 45 20.750 21.201 -16.290 343 HA VAL 45 HA VAL 45 19.698 19.916 -18.389 344 HB VAL 45 HB VAL 45 21.861 19.362 -17.958 345 1HG1 VAL 45 1HG1 VAL 45 22.451 18.358 -15.564 346 2HG1 VAL 45 2HG1 VAL 45 22.396 20.112 -15.860 347 3HG1 VAL 45 3HG1 VAL 45 21.014 19.297 -15.091 348 1HG2 VAL 45 1HG2 VAL 45 20.784 16.930 -16.562 349 2HG2 VAL 45 2HG2 VAL 45 20.278 17.282 -18.231 350 3HG2 VAL 45 3HG2 VAL 45 22.003 17.056 -17.853 351 H LEU 46 HN LEU 46 18.730 19.587 -15.000 352 HA LEU 46 HA LEU 46 17.184 17.212 -15.554 353 1HB LEU 46 2HB LEU 46 17.040 18.814 -13.027 354 2HB LEU 46 3HB LEU 46 16.807 17.094 -13.269 355 HG LEU 46 HG LEU 46 19.516 18.263 -13.797 356 1HD1 LEU 46 1HD1 LEU 46 18.613 17.507 -11.012 357 2HD1 LEU 46 2HD1 LEU 46 20.172 18.201 -11.515 358 3HD1 LEU 46 3HD1 LEU 46 18.691 19.184 -11.602 359 1HD2 LEU 46 1HD2 LEU 46 18.325 15.606 -13.250 360 2HD2 LEU 46 2HD2 LEU 46 19.696 16.067 -14.286 361 3HD2 LEU 46 3HD2 LEU 46 19.921 15.921 -12.526 362 H ARG 47 HN ARG 47 16.457 20.560 -14.326 363 HA ARG 47 HA ARG 47 13.757 20.344 -14.617 364 1HB ARG 47 2HB ARG 47 15.606 22.767 -14.815 365 2HB ARG 47 3HB ARG 47 13.861 22.925 -14.800 366 1HG ARG 47 2HG ARG 47 14.166 21.303 -12.627 367 2HG ARG 47 3HG ARG 47 15.717 22.117 -12.585 368 1HD ARG 47 2HD ARG 47 13.124 23.689 -12.872 369 2HD ARG 47 3HD ARG 47 13.728 23.215 -11.297 370 HE ARG 47 HE ARG 47 15.936 24.388 -12.510 371 1HH1 ARG 47 1HH1 ARG 47 15.257 27.775 -12.014 372 2HH1 ARG 47 2HH1 ARG 47 16.486 26.598 -12.342 373 1HH2 ARG 47 1HH2 ARG 47 13.051 27.103 -11.746 374 2HH2 ARG 47 2HH2 ARG 47 12.635 25.426 -11.873 375 H GLU 48 HN GLU 48 16.147 21.894 -16.891 376 HA GLU 48 HA GLU 48 14.637 22.747 -18.844 377 1HB GLU 48 2HB GLU 48 17.153 22.638 -18.826 378 2HB GLU 48 3HB GLU 48 17.063 20.959 -19.316 379 1HG GLU 48 2HG GLU 48 17.248 21.915 -21.416 380 2HG GLU 48 3HG GLU 48 15.503 21.970 -21.262 381 H GLN 49 HN GLN 49 15.381 19.261 -18.267 382 HA GLN 49 HA GLN 49 13.110 18.669 -19.988 383 1HB GLN 49 2HB GLN 49 14.311 16.680 -20.867 384 2HB GLN 49 3HB GLN 49 15.134 18.170 -21.282 385 1HG GLN 49 2HG GLN 49 16.351 17.613 -18.887 386 2HG GLN 49 3HG GLN 49 15.982 15.986 -19.422 387 1HE2 GLN 49 1HE2 GLN 49 18.527 17.449 -19.141 388 2HE2 GLN 49 2HE2 GLN 49 19.331 17.357 -20.673 389 H ALA 50 HN ALA 50 12.556 18.940 -17.402 390 HA ALA 50 HA ALA 50 13.115 16.572 -15.893 391 1HB ALA 50 1HB ALA 50 12.854 18.340 -14.458 392 2HB ALA 50 2HB ALA 50 11.701 19.176 -15.526 393 3HB ALA 50 3HB ALA 50 11.153 17.820 -14.512 394 H GLY 51 HN GLY 51 9.819 17.926 -16.177 395 1HA GLY 51 1HA GLY 51 8.397 15.656 -16.063 396 2HA GLY 51 2HA GLY 51 7.908 17.042 -17.017 397 H GLY 52 HN GLY 52 10.202 16.883 -18.914 398 1HA GLY 52 1HA GLY 52 9.055 15.256 -20.877 399 2HA GLY 52 2HA GLY 52 10.661 15.956 -20.908 400 H ASP 53 HN ASP 53 11.917 14.241 -21.628 401 HA ASP 53 HA ASP 53 11.906 11.932 -19.857 402 1HB ASP 53 2HB ASP 53 10.837 11.134 -21.853 403 2HB ASP 53 3HB ASP 53 11.926 12.028 -22.894 404 H ALA 54 HN ALA 54 13.940 11.920 -18.890 405 HA ALA 54 HA ALA 54 16.195 12.860 -20.528 406 1HB ALA 54 1HB ALA 54 16.208 12.822 -17.513 407 2HB ALA 54 2HB ALA 54 17.114 13.865 -18.635 408 3HB ALA 54 3HB ALA 54 15.374 14.138 -18.375 409 H THR 55 HN THR 55 14.884 10.127 -20.327 410 HA THR 55 HA THR 55 16.357 8.421 -18.711 411 HB THR 55 HB THR 55 14.882 8.151 -21.367 412 HG1 THR 55 HG1 THR 55 13.336 7.932 -19.802 413 1HG2 THR 55 1HG2 THR 55 16.820 6.346 -20.827 414 2HG2 THR 55 2HG2 THR 55 15.598 5.752 -19.677 415 3HG2 THR 55 3HG2 THR 55 15.220 5.832 -21.415 416 H GLU 56 HN GLU 56 16.938 9.111 -22.230 417 HA GLU 56 HA GLU 56 19.365 7.760 -22.216 418 1HB GLU 56 2HB GLU 56 18.331 9.943 -24.079 419 2HB GLU 56 3HB GLU 56 19.737 8.951 -24.408 420 1HG GLU 56 2HG GLU 56 18.186 7.630 -25.486 421 2HG GLU 56 3HG GLU 56 17.973 6.962 -23.880 422 H ASN 57 HN ASN 57 18.474 11.203 -21.673 423 HA ASN 57 HA ASN 57 21.047 12.206 -21.747 424 1HB ASN 57 2HB ASN 57 18.402 13.071 -20.589 425 2HB ASN 57 3HB ASN 57 19.823 13.901 -19.986 426 1HD2 ASN 57 1HD2 ASN 57 17.535 13.691 -22.429 427 2HD2 ASN 57 2HD2 ASN 57 18.244 14.746 -23.608 428 H PHE 58 HN PHE 58 19.383 10.158 -19.475 429 HA PHE 58 HA PHE 58 21.084 10.949 -17.254 430 1HB PHE 58 2HB PHE 58 18.847 10.530 -16.548 431 2HB PHE 58 3HB PHE 58 18.588 9.316 -17.784 432 HD1 PHE 58 HD1 PHE 58 19.441 9.907 -14.362 433 HD2 PHE 58 HD2 PHE 58 19.683 7.039 -17.479 434 HE1 PHE 58 HE1 PHE 58 19.830 8.098 -12.666 435 HE2 PHE 58 HE2 PHE 58 20.073 5.229 -15.784 436 HZ PHE 58 HZ PHE 58 20.142 5.781 -13.398 437 H GLU 59 HN GLU 59 20.423 8.192 -19.474 438 HA GLU 59 HA GLU 59 22.311 6.543 -18.134 439 1HB GLU 59 2HB GLU 59 20.744 6.272 -20.727 440 2HB GLU 59 3HB GLU 59 21.906 5.063 -20.218 441 1HG GLU 59 2HG GLU 59 20.525 5.254 -17.901 442 2HG GLU 59 3HG GLU 59 19.258 5.794 -18.984 443 H ASP 60 HN ASP 60 22.236 8.700 -20.987 444 HA ASP 60 HA ASP 60 24.513 7.851 -22.229 445 1HB ASP 60 2HB ASP 60 22.867 9.587 -23.050 446 2HB ASP 60 3HB ASP 60 23.545 10.730 -21.908 447 H VAL 61 HN VAL 61 23.999 10.212 -19.530 448 HA VAL 61 HA VAL 61 26.715 10.980 -19.350 449 HB VAL 61 HB VAL 61 26.044 12.133 -17.383 450 1HG1 VAL 61 1HG1 VAL 61 23.660 13.009 -18.261 451 2HG1 VAL 61 2HG1 VAL 61 25.199 13.440 -19.044 452 3HG1 VAL 61 3HG1 VAL 61 24.193 12.136 -19.717 453 1HG2 VAL 61 1HG2 VAL 61 23.284 11.275 -17.120 454 2HG2 VAL 61 2HG2 VAL 61 24.402 9.905 -16.908 455 3HG2 VAL 61 3HG2 VAL 61 24.572 11.358 -15.892 456 H GLY 62 HN GLY 62 24.982 8.115 -18.497 457 1HA GLY 62 1HA GLY 62 25.580 6.252 -17.394 458 2HA GLY 62 2HA GLY 62 27.245 6.761 -17.591 459 H HIS 63 HN HIS 63 24.351 6.971 -15.487 460 HA HIS 63 HA HIS 63 25.644 8.463 -13.468 461 1HB HIS 63 2HB HIS 63 23.092 6.882 -13.664 462 2HB HIS 63 3HB HIS 63 23.640 7.471 -12.107 463 HD1 HIS 63 HD1 HIS 63 23.094 8.968 -15.607 464 HD2 HIS 63 HD2 HIS 63 22.667 9.954 -11.552 465 HE1 HIS 63 HE1 HIS 63 22.052 11.297 -15.544 466 H SER 64 HN SER 64 26.678 7.792 -11.567 467 HA SER 64 HA SER 64 27.770 5.162 -11.742 468 1HB SER 64 2HB SER 64 28.291 7.652 -10.172 469 2HB SER 64 3HB SER 64 28.722 6.153 -9.373 470 HG SER 64 HG SER 64 29.526 6.457 -12.090 471 H THR 65 HN THR 65 27.951 3.895 -9.505 472 HA THR 65 HA THR 65 25.446 2.978 -8.827 473 HB THR 65 HB THR 65 28.242 2.834 -7.707 474 HG1 THR 65 HG1 THR 65 27.623 0.568 -8.145 475 1HG2 THR 65 1HG2 THR 65 26.599 2.988 -5.699 476 2HG2 THR 65 2HG2 THR 65 25.866 1.495 -6.332 477 3HG2 THR 65 3HG2 THR 65 27.567 1.499 -5.810 478 H ASP 66 HN ASP 66 27.433 5.495 -7.167 479 HA ASP 66 HA ASP 66 26.050 5.895 -4.958 480 1HB ASP 66 2HB ASP 66 27.492 7.653 -6.864 481 2HB ASP 66 3HB ASP 66 26.344 8.520 -5.863 482 H ALA 67 HN ALA 67 25.105 6.828 -8.306 483 HA ALA 67 HA ALA 67 22.827 8.330 -7.533 484 1HB ALA 67 1HB ALA 67 24.147 8.503 -9.696 485 2HB ALA 67 2HB ALA 67 23.386 6.973 -10.196 486 3HB ALA 67 3HB ALA 67 22.380 8.411 -9.894 487 H ARG 68 HN ARG 68 23.398 4.941 -8.667 488 HA ARG 68 HA ARG 68 20.921 4.072 -8.985 489 1HB ARG 68 2HB ARG 68 23.475 2.896 -8.283 490 2HB ARG 68 3HB ARG 68 22.230 2.075 -7.364 491 1HG ARG 68 2HG ARG 68 21.095 1.328 -9.303 492 2HG ARG 68 3HG ARG 68 21.783 2.582 -10.316 493 1HD ARG 68 2HD ARG 68 23.649 1.340 -10.791 494 2HD ARG 68 3HD ARG 68 23.852 0.834 -9.126 495 HE ARG 68 HE ARG 68 22.733 -1.148 -9.634 496 1HH1 ARG 68 1HH1 ARG 68 20.779 -2.055 -12.380 497 2HH1 ARG 68 2HH1 ARG 68 21.534 -2.607 -10.922 498 1HH2 ARG 68 1HH2 ARG 68 20.986 0.164 -13.026 499 2HH2 ARG 68 2HH2 ARG 68 21.895 1.270 -12.049 500 H GLU 69 HN GLU 69 22.607 4.591 -5.834 501 HA GLU 69 HA GLU 69 20.543 3.510 -4.286 502 1HB GLU 69 2HB GLU 69 23.137 4.378 -3.836 503 2HB GLU 69 3HB GLU 69 22.204 5.616 -3.020 504 1HG GLU 69 2HG GLU 69 21.228 2.854 -2.512 505 2HG GLU 69 3HG GLU 69 22.860 3.142 -1.941 506 H LEU 70 HN LEU 70 21.495 6.935 -5.052 507 HA LEU 70 HA LEU 70 19.421 8.141 -3.666 508 1HB LEU 70 2HB LEU 70 21.252 8.908 -5.889 509 2HB LEU 70 3HB LEU 70 19.867 9.934 -5.572 510 HG LEU 70 HG LEU 70 20.642 10.601 -3.493 511 1HD1 LEU 70 1HD1 LEU 70 21.029 8.741 -2.219 512 2HD1 LEU 70 2HD1 LEU 70 22.058 7.968 -3.448 513 3HD1 LEU 70 3HD1 LEU 70 22.700 9.305 -2.463 514 1HD2 LEU 70 1HD2 LEU 70 22.638 10.472 -5.612 515 2HD2 LEU 70 2HD2 LEU 70 22.203 11.810 -4.522 516 3HD2 LEU 70 3HD2 LEU 70 23.371 10.575 -3.994 517 H SER 71 HN SER 71 19.619 7.621 -7.262 518 HA SER 71 HA SER 71 17.267 8.365 -8.058 519 1HB SER 71 2HB SER 71 18.488 5.650 -8.733 520 2HB SER 71 3HB SER 71 17.251 6.447 -9.686 521 HG SER 71 HG SER 71 18.726 7.736 -10.565 522 H LYS 72 HN LYS 72 17.780 5.028 -6.681 523 HA LYS 72 HA LYS 72 15.100 4.324 -6.640 524 1HB LYS 72 2HB LYS 72 17.630 3.317 -5.569 525 2HB LYS 72 3HB LYS 72 16.275 2.965 -4.516 526 1HG LYS 72 2HG LYS 72 15.951 1.180 -5.916 527 2HG LYS 72 3HG LYS 72 15.147 2.354 -6.938 528 1HD LYS 72 2HD LYS 72 17.662 2.791 -7.804 529 2HD LYS 72 3HD LYS 72 17.901 1.157 -7.219 530 1HE LYS 72 2HE LYS 72 16.528 0.219 -8.837 531 2HE LYS 72 3HE LYS 72 15.443 1.594 -8.875 532 1HZ LYS 72 1HZ LYS 72 16.531 2.295 -10.635 533 2HZ LYS 72 2HZ LYS 72 17.908 2.456 -9.773 534 3HZ LYS 72 3HZ LYS 72 17.592 1.056 -10.552 535 H THR 73 HN THR 73 17.163 5.817 -4.060 536 HA THR 73 HA THR 73 15.169 5.957 -2.122 537 HB THR 73 HB THR 73 17.869 7.051 -2.670 538 HG1 THR 73 HG1 THR 73 17.214 5.314 -1.162 539 1HG2 THR 73 1HG2 THR 73 16.634 9.216 -2.254 540 2HG2 THR 73 2HG2 THR 73 15.979 8.517 -0.753 541 3HG2 THR 73 3HG2 THR 73 17.730 8.796 -0.917 542 H TYR 74 HN TYR 74 15.811 7.996 -4.964 543 HA TYR 74 HA TYR 74 13.739 9.849 -4.054 544 1HB TYR 74 2HB TYR 74 15.924 9.721 -6.204 545 2HB TYR 74 3HB TYR 74 14.668 10.939 -6.312 546 HD1 TYR 74 HD1 TYR 74 17.528 9.745 -4.283 547 HD2 TYR 74 HD2 TYR 74 14.684 12.882 -4.895 548 HE1 TYR 74 HE1 TYR 74 18.853 11.259 -2.729 549 HE2 TYR 74 HE2 TYR 74 16.019 14.386 -3.340 550 HH TYR 74 HH TYR 74 18.088 13.380 -1.200 551 H ILE 75 HN ILE 75 12.840 7.222 -4.719 552 HA ILE 75 HA ILE 75 11.546 7.744 -7.305 553 HB ILE 75 HB ILE 75 13.191 5.718 -6.872 554 1HG1 ILE 75 2HG1 ILE 75 10.593 5.264 -8.353 555 2HG1 ILE 75 3HG1 ILE 75 11.830 6.360 -8.932 556 1HG2 ILE 75 1HG2 ILE 75 11.937 4.884 -4.913 557 2HG2 ILE 75 2HG2 ILE 75 10.532 4.583 -5.964 558 3HG2 ILE 75 3HG2 ILE 75 12.047 3.686 -6.226 559 1HD1 ILE 75 1HD1 ILE 75 12.175 4.186 -9.979 560 2HD1 ILE 75 2HD1 ILE 75 13.501 4.462 -8.823 561 3HD1 ILE 75 3HD1 ILE 75 12.158 3.374 -8.394 562 H ILE 76 HN ILE 76 9.300 7.598 -7.427 563 HA ILE 76 HA ILE 76 7.974 7.097 -4.853 564 HB ILE 76 HB ILE 76 6.511 8.877 -5.197 565 1HG1 ILE 76 2HG1 ILE 76 6.250 8.338 -7.697 566 2HG1 ILE 76 3HG1 ILE 76 6.060 10.004 -7.183 567 1HG2 ILE 76 1HG2 ILE 76 9.350 9.611 -5.898 568 2HG2 ILE 76 2HG2 ILE 76 8.081 10.845 -5.703 569 3HG2 ILE 76 3HG2 ILE 76 8.494 9.772 -4.345 570 1HD1 ILE 76 1HD1 ILE 76 7.487 10.213 -9.043 571 2HD1 ILE 76 2HD1 ILE 76 8.641 10.205 -7.687 572 3HD1 ILE 76 3HD1 ILE 76 8.383 8.727 -8.646 573 H GLY 77 HN GLY 77 7.932 6.872 -8.430 574 1HA GLY 77 1HA GLY 77 6.680 4.382 -8.465 575 2HA GLY 77 2HA GLY 77 5.426 5.592 -8.658 576 H GLU 78 HN GLU 78 5.168 4.586 -10.852 577 HA GLU 78 HA GLU 78 7.182 5.678 -12.661 578 1HB GLU 78 2HB GLU 78 7.042 3.789 -14.040 579 2HB GLU 78 3HB GLU 78 6.909 3.079 -12.443 580 1HG GLU 78 2HG GLU 78 4.415 3.081 -12.649 581 2HG GLU 78 3HG GLU 78 4.546 3.795 -14.244 582 H LEU 79 HN LEU 79 6.262 6.196 -14.911 583 HA LEU 79 HA LEU 79 3.694 7.513 -14.507 584 1HB LEU 79 2HB LEU 79 4.440 9.130 -15.838 585 2HB LEU 79 3HB LEU 79 6.018 8.461 -15.471 586 HG LEU 79 HG LEU 79 6.041 8.780 -17.783 587 1HD1 LEU 79 1HD1 LEU 79 6.125 6.156 -16.757 588 2HD1 LEU 79 2HD1 LEU 79 5.266 6.058 -18.312 589 3HD1 LEU 79 3HD1 LEU 79 6.890 6.782 -18.237 590 1HD2 LEU 79 1HD2 LEU 79 3.942 9.297 -18.513 591 2HD2 LEU 79 2HD2 LEU 79 4.092 7.651 -19.175 592 3HD2 LEU 79 3HD2 LEU 79 3.182 7.925 -17.670 593 H HIS 80 HN HIS 80 1.899 7.181 -15.878 594 HA HIS 80 HA HIS 80 1.259 4.695 -16.567 595 1HB HIS 80 2HB HIS 80 0.079 7.133 -16.807 596 2HB HIS 80 3HB HIS 80 0.316 6.738 -18.498 597 HD1 HIS 80 HD1 HIS 80 -2.286 6.493 -18.792 598 HD2 HIS 80 HD2 HIS 80 -0.557 3.759 -16.123 599 HE1 HIS 80 HE1 HIS 80 -4.045 4.693 -18.375 600 HA PRO 81 HA PRO 81 4.017 3.779 -19.835 601 1HB PRO 81 2HB PRO 81 3.414 1.124 -20.058 602 2HB PRO 81 3HB PRO 81 4.585 1.747 -18.912 603 1HG PRO 81 2HG PRO 81 1.837 0.780 -18.412 604 2HG PRO 81 3HG PRO 81 3.149 0.999 -17.270 605 1HD PRO 81 2HD PRO 81 0.881 2.719 -17.632 606 2HD PRO 81 3HD PRO 81 2.250 2.998 -16.573 607 H ASP 82 HN ASP 82 0.640 3.606 -19.835 608 HA ASP 82 HA ASP 82 0.466 2.793 -22.546 609 1HB ASP 82 2HB ASP 82 -1.288 2.686 -20.533 610 2HB ASP 82 3HB ASP 82 -1.726 4.288 -21.091 611 H ASP 83 HN ASP 83 0.570 5.820 -20.637 612 HA ASP 83 HA ASP 83 0.036 7.356 -23.032 613 1HB ASP 83 2HB ASP 83 0.342 8.139 -20.096 614 2HB ASP 83 3HB ASP 83 0.099 9.309 -21.379 615 H ARG 84 HN ARG 84 2.594 5.743 -22.181 616 HA ARG 84 HA ARG 84 4.510 7.753 -21.654 617 1HB ARG 84 2HB ARG 84 6.078 5.975 -21.555 618 2HB ARG 84 3HB ARG 84 4.584 5.201 -21.064 619 1HG ARG 84 2HG ARG 84 4.228 4.366 -23.381 620 2HG ARG 84 3HG ARG 84 5.683 5.183 -23.916 621 1HD ARG 84 2HD ARG 84 6.803 3.265 -23.414 622 2HD ARG 84 3HD ARG 84 6.590 3.688 -21.726 623 HE ARG 84 HE ARG 84 4.883 2.073 -21.538 624 1HH1 ARG 84 1HH1 ARG 84 3.636 -0.116 -23.953 625 2HH1 ARG 84 2HH1 ARG 84 3.681 0.271 -22.264 626 1HH2 ARG 84 1HH2 ARG 84 4.797 1.195 -25.474 627 2HH2 ARG 84 2HH2 ARG 84 5.708 2.561 -24.923 628 H SER 85 HN SER 85 3.003 6.330 -24.492 629 HA SER 85 HA SER 85 5.065 7.542 -26.157 630 1HB SER 85 2HB SER 85 3.385 5.101 -26.408 631 2HB SER 85 3HB SER 85 3.522 6.037 -27.883 632 HG SER 85 HG SER 85 5.553 5.397 -28.113 633 H LYS 86 HN LYS 86 3.070 9.152 -24.833 634 HA LYS 86 HA LYS 86 1.149 9.727 -26.957 635 1HB LYS 86 2HB LYS 86 0.915 9.590 -24.176 636 2HB LYS 86 3HB LYS 86 0.916 11.309 -24.517 637 1HG LYS 86 2HG LYS 86 -1.386 10.447 -24.624 638 2HG LYS 86 3HG LYS 86 -0.885 10.986 -26.214 639 1HD LYS 86 2HD LYS 86 -0.732 8.808 -27.068 640 2HD LYS 86 3HD LYS 86 -0.387 8.099 -25.503 641 1HE LYS 86 2HE LYS 86 -2.582 7.431 -25.596 642 2HE LYS 86 3HE LYS 86 -2.908 9.054 -25.021 643 1HZ LYS 86 1HZ LYS 86 -2.752 8.361 -27.870 644 2HZ LYS 86 2HZ LYS 86 -4.149 8.401 -27.025 645 3HZ LYS 86 3HZ LYS 86 -3.277 9.767 -27.227 646 H ILE 87 HN ILE 87 3.894 10.251 -27.519 647 HA ILE 87 HA ILE 87 4.174 13.116 -27.090 648 HB ILE 87 HB ILE 87 5.982 11.193 -26.867 649 1HG1 ILE 87 2HG1 ILE 87 7.725 12.948 -27.334 650 2HG1 ILE 87 3HG1 ILE 87 6.453 13.985 -27.946 651 1HG2 ILE 87 1HG2 ILE 87 5.872 10.346 -29.108 652 2HG2 ILE 87 2HG2 ILE 87 6.123 11.970 -29.790 653 3HG2 ILE 87 3HG2 ILE 87 7.436 11.170 -28.894 654 1HD1 ILE 87 1HD1 ILE 87 5.551 12.959 -25.421 655 2HD1 ILE 87 2HD1 ILE 87 7.223 13.528 -25.206 656 3HD1 ILE 87 3HD1 ILE 87 5.980 14.638 -25.834 657 H ALA 88 HN ALA 88 3.855 10.664 -29.723 658 HA ALA 88 HA ALA 88 4.029 12.451 -31.845 659 1HB ALA 88 1HB ALA 88 3.963 10.451 -32.863 660 2HB ALA 88 2HB ALA 88 3.397 9.678 -31.364 661 3HB ALA 88 3HB ALA 88 2.220 10.358 -32.513 662 HHA HEM 95 HA HEM 95 27.094 12.970 -12.812 663 HHB HEM 95 HB HEM 95 22.928 11.040 -8.446 664 HHC HEM 95 HC HEM 95 18.158 12.651 -12.362 665 HHD HEM 95 HD HEM 95 22.375 14.619 -16.659 666 1HMA HEM 95 1HMA HEM 95 25.810 11.447 -7.428 667 2HMA HEM 95 2HMA HEM 95 26.420 9.965 -8.267 668 3HMA HEM 95 3HMA HEM 95 24.685 10.083 -7.836 669 1HAA HEM 95 1HAA HEM 95 27.857 10.768 -11.457 670 2HAA HEM 95 2HAA HEM 95 27.781 10.579 -9.610 671 1HBA HEM 95 1HBA HEM 95 29.174 11.803 -9.001 672 2HBA HEM 95 2HBA HEM 95 28.724 13.138 -10.122 673 1HMB HEM 95 1HMB HEM 95 20.151 11.639 -7.056 674 2HMB HEM 95 2HMB HEM 95 21.202 10.267 -7.608 675 3HMB HEM 95 3HMB HEM 95 19.432 10.122 -7.749 676 HAB HEM 95 HAB HEM 95 17.489 12.508 -9.569 677 1HBB HEM 95 HBB HEM 95 17.576 9.427 -9.723 678 2HBB HEM 95 HBB HEM 95 16.109 10.566 -9.451 679 1HMC HEM 95 1HMC HEM 95 17.076 14.302 -14.503 680 2HMC HEM 95 2HMC HEM 95 17.271 12.513 -14.278 681 3HMC HEM 95 3HMC HEM 95 17.377 13.221 -15.919 682 HAC HEM 95 HAC HEM 95 20.603 14.601 -17.584 683 1HBC HEM 95 HBC HEM 95 17.848 15.445 -16.470 684 2HBC HEM 95 HBC HEM 95 18.554 15.752 -18.184 685 1HMD HEM 95 1HMD HEM 95 24.787 16.291 -16.734 686 2HMD HEM 95 2HMD HEM 95 24.527 14.790 -17.716 687 3HMD HEM 95 3HMD HEM 95 26.196 15.282 -17.236 688 1HAD HEM 95 1HAD HEM 95 28.071 13.651 -15.724 689 2HAD HEM 95 2HAD HEM 95 27.871 14.009 -13.986 690 1HBD HEM 95 1HBD HEM 95 26.872 16.359 -14.937 691 2HBD HEM 95 2HBD HEM 95 27.819 15.934 -16.373 Start of MODEL 7 1 H VAL 4 HN VAL 4 1.964 -0.992 -8.462 2 HA VAL 4 HA VAL 4 3.967 0.897 -7.429 3 HB VAL 4 HB VAL 4 4.436 -0.714 -9.460 4 1HG1 VAL 4 1HG1 VAL 4 3.108 1.610 -10.888 5 2HG1 VAL 4 2HG1 VAL 4 3.835 0.155 -11.611 6 3HG1 VAL 4 3HG1 VAL 4 2.341 0.022 -10.653 7 1HG2 VAL 4 1HG2 VAL 4 5.270 1.986 -10.244 8 2HG2 VAL 4 2HG2 VAL 4 5.529 1.644 -8.516 9 3HG2 VAL 4 3HG2 VAL 4 6.245 0.581 -9.751 10 H LYS 5 HN LYS 5 3.725 3.128 -8.589 11 HA LYS 5 HA LYS 5 0.848 3.718 -8.670 12 1HB LYS 5 2HB LYS 5 3.103 4.962 -7.260 13 2HB LYS 5 3HB LYS 5 2.143 6.113 -8.168 14 1HG LYS 5 2HG LYS 5 0.650 4.056 -6.555 15 2HG LYS 5 3HG LYS 5 1.478 5.318 -5.665 16 1HD LYS 5 2HD LYS 5 -0.700 6.204 -6.057 17 2HD LYS 5 3HD LYS 5 0.315 7.008 -7.236 18 1HE LYS 5 2HE LYS 5 -0.387 5.382 -8.985 19 2HE LYS 5 3HE LYS 5 -1.357 4.516 -7.810 20 1HZ LYS 5 1HZ LYS 5 -2.738 6.002 -8.988 21 2HZ LYS 5 2HZ LYS 5 -2.594 6.603 -7.477 22 3HZ LYS 5 3HZ LYS 5 -1.762 7.280 -8.709 23 H TYR 6 HN TYR 6 0.040 4.338 -10.600 24 HA TYR 6 HA TYR 6 1.979 5.065 -12.670 25 1HB TYR 6 2HB TYR 6 -0.998 4.262 -12.644 26 2HB TYR 6 3HB TYR 6 -0.081 4.543 -14.110 27 HD1 TYR 6 HD1 TYR 6 2.413 3.149 -13.762 28 HD2 TYR 6 HD2 TYR 6 -1.492 2.007 -12.443 29 HE1 TYR 6 HE1 TYR 6 3.112 0.704 -13.787 30 HE2 TYR 6 HE2 TYR 6 -0.781 -0.434 -12.473 31 HH TYR 6 HH TYR 6 0.761 -1.849 -13.107 32 H TYR 7 HN TYR 7 2.353 7.249 -12.676 33 HA TYR 7 HA TYR 7 0.129 9.034 -12.118 34 1HB TYR 7 2HB TYR 7 3.032 9.625 -12.929 35 2HB TYR 7 3HB TYR 7 1.973 10.672 -12.005 36 HD1 TYR 7 HD1 TYR 7 4.800 8.818 -11.677 37 HD2 TYR 7 HD2 TYR 7 0.969 9.207 -9.811 38 HE1 TYR 7 HE1 TYR 7 5.750 7.880 -9.512 39 HE2 TYR 7 HE2 TYR 7 1.933 8.268 -7.653 40 HH TYR 7 HH TYR 7 4.300 6.542 -7.341 41 H THR 8 HN THR 8 -0.561 10.705 -13.571 42 HA THR 8 HA THR 8 -0.439 9.876 -16.328 43 HB THR 8 HB THR 8 -1.950 12.070 -16.405 44 HG1 THR 8 HG1 THR 8 -1.160 12.679 -14.220 45 1HG2 THR 8 1HG2 THR 8 -2.784 9.613 -16.370 46 2HG2 THR 8 2HG2 THR 8 -2.909 9.796 -14.604 47 3HG2 THR 8 3HG2 THR 8 -3.890 10.824 -15.676 48 H LEU 9 HN LEU 9 0.489 10.935 -18.068 49 HA LEU 9 HA LEU 9 2.916 12.127 -17.663 50 1HB LEU 9 2HB LEU 9 3.026 12.315 -19.915 51 2HB LEU 9 3HB LEU 9 1.742 11.132 -19.765 52 HG LEU 9 HG LEU 9 1.226 14.093 -20.125 53 1HD1 LEU 9 1HD1 LEU 9 2.033 12.055 -22.088 54 2HD1 LEU 9 2HD1 LEU 9 0.564 12.962 -22.520 55 3HD1 LEU 9 3HD1 LEU 9 2.079 13.832 -22.180 56 1HD2 LEU 9 1HD2 LEU 9 -0.590 12.691 -19.129 57 2HD2 LEU 9 2HD2 LEU 9 -1.016 13.461 -20.677 58 3HD2 LEU 9 3HD2 LEU 9 -0.601 11.731 -20.628 59 H GLU 10 HN GLU 10 -0.270 13.457 -17.218 60 HA GLU 10 HA GLU 10 0.287 16.115 -17.758 61 1HB GLU 10 2HB GLU 10 -1.879 14.569 -16.709 62 2HB GLU 10 3HB GLU 10 -1.589 15.862 -15.562 63 1HG GLU 10 2HG GLU 10 -2.170 17.530 -17.069 64 2HG GLU 10 3HG GLU 10 -1.558 16.648 -18.454 65 H GLU 11 HN GLU 11 1.037 14.018 -14.995 66 HA GLU 11 HA GLU 11 1.498 16.063 -13.155 67 1HB GLU 11 2HB GLU 11 1.751 13.177 -13.288 68 2HB GLU 11 3HB GLU 11 3.195 13.842 -12.552 69 1HG GLU 11 2HG GLU 11 2.072 14.219 -10.621 70 2HG GLU 11 3HG GLU 11 0.943 15.266 -11.457 71 H ILE 12 HN ILE 12 4.035 13.885 -14.578 72 HA ILE 12 HA ILE 12 6.244 15.186 -14.019 73 HB ILE 12 HB ILE 12 6.703 14.632 -16.671 74 1HG1 ILE 12 2HG1 ILE 12 4.136 13.908 -16.521 75 2HG1 ILE 12 3HG1 ILE 12 5.303 13.070 -17.524 76 1HG2 ILE 12 1HG2 ILE 12 6.949 13.180 -14.087 77 2HG2 ILE 12 2HG2 ILE 12 7.172 12.238 -15.579 78 3HG2 ILE 12 3HG2 ILE 12 8.194 13.660 -15.265 79 1HD1 ILE 12 1HD1 ILE 12 5.009 12.193 -14.652 80 2HD1 ILE 12 2HD1 ILE 12 3.754 11.725 -15.824 81 3HD1 ILE 12 3HD1 ILE 12 5.445 11.234 -16.087 82 H GLN 13 HN GLN 13 3.888 16.240 -16.531 83 HA GLN 13 HA GLN 13 5.397 18.296 -17.550 84 1HB GLN 13 2HB GLN 13 2.433 17.743 -17.357 85 2HB GLN 13 3HB GLN 13 2.969 19.290 -17.981 86 1HG GLN 13 2HG GLN 13 4.454 17.006 -19.140 87 2HG GLN 13 3HG GLN 13 2.733 16.931 -19.459 88 1HE2 GLN 13 1HE2 GLN 13 5.139 17.522 -21.136 89 2HE2 GLN 13 2HE2 GLN 13 4.800 19.009 -21.957 90 H LYS 14 HN LYS 14 2.537 18.781 -15.356 91 HA LYS 14 HA LYS 14 3.108 21.351 -14.652 92 1HB LYS 14 2HB LYS 14 1.707 20.902 -12.644 93 2HB LYS 14 3HB LYS 14 0.989 20.360 -14.147 94 1HG LYS 14 2HG LYS 14 1.873 18.032 -13.679 95 2HG LYS 14 3HG LYS 14 2.466 18.603 -12.131 96 1HD LYS 14 2HD LYS 14 0.303 17.559 -11.756 97 2HD LYS 14 3HD LYS 14 0.110 19.286 -11.521 98 1HE LYS 14 2HE LYS 14 -0.320 18.606 -14.332 99 2HE LYS 14 3HE LYS 14 -1.347 17.619 -13.311 100 1HZ LYS 14 1HZ LYS 14 -2.402 19.446 -12.495 101 2HZ LYS 14 2HZ LYS 14 -1.159 20.469 -12.765 102 3HZ LYS 14 3HZ LYS 14 -2.087 19.964 -14.011 103 H HIS 15 HN HIS 15 4.785 18.411 -13.757 104 HA HIS 15 HA HIS 15 6.081 19.740 -11.530 105 1HB HIS 15 2HB HIS 15 6.429 16.924 -12.594 106 2HB HIS 15 3HB HIS 15 7.101 17.558 -11.105 107 HD1 HIS 15 HD1 HIS 15 4.774 18.874 -9.722 108 HD2 HIS 15 HD2 HIS 15 4.376 15.290 -11.864 109 HE1 HIS 15 HE1 HIS 15 2.687 17.724 -8.810 110 H LYS 16 HN LYS 16 6.613 21.193 -13.751 111 HA LYS 16 HA LYS 16 9.257 20.249 -14.612 112 1HB LYS 16 2HB LYS 16 7.011 21.527 -16.021 113 2HB LYS 16 3HB LYS 16 8.559 22.287 -16.333 114 1HG LYS 16 2HG LYS 16 9.323 19.682 -16.542 115 2HG LYS 16 3HG LYS 16 7.637 19.504 -16.990 116 1HD LYS 16 2HD LYS 16 8.967 21.816 -18.295 117 2HD LYS 16 3HD LYS 16 9.688 20.273 -18.709 118 1HE LYS 16 2HE LYS 16 7.464 19.387 -19.386 119 2HE LYS 16 3HE LYS 16 6.702 20.893 -18.913 120 1HZ LYS 16 1HZ LYS 16 7.525 20.438 -21.345 121 2HZ LYS 16 2HZ LYS 16 7.513 21.942 -20.709 122 3HZ LYS 16 3HZ LYS 16 8.906 21.091 -20.766 123 H ASP 17 HN ASP 17 8.524 21.562 -12.018 124 HA ASP 17 HA ASP 17 10.242 23.881 -12.396 125 1HB ASP 17 2HB ASP 17 7.548 24.017 -11.700 126 2HB ASP 17 3HB ASP 17 8.325 24.020 -10.129 127 H SER 18 HN SER 18 11.233 24.535 -10.132 128 HA SER 18 HA SER 18 12.586 22.400 -9.111 129 1HB SER 18 2HB SER 18 12.672 25.142 -8.811 130 2HB SER 18 3HB SER 18 12.143 24.650 -7.215 131 HG SER 18 HG SER 18 13.995 23.291 -7.022 132 H LYS 19 HN LYS 19 9.635 24.081 -7.849 133 HA LYS 19 HA LYS 19 9.291 22.933 -5.457 134 1HB LYS 19 2HB LYS 19 7.500 23.939 -7.575 135 2HB LYS 19 3HB LYS 19 6.734 22.836 -6.449 136 1HG LYS 19 2HG LYS 19 6.519 24.637 -5.071 137 2HG LYS 19 3HG LYS 19 8.227 24.438 -4.737 138 1HD LYS 19 2HD LYS 19 8.764 26.355 -5.842 139 2HD LYS 19 3HD LYS 19 7.832 25.891 -7.252 140 1HE LYS 19 2HE LYS 19 6.534 27.690 -6.620 141 2HE LYS 19 3HE LYS 19 5.769 26.494 -5.593 142 1HZ LYS 19 1HZ LYS 19 6.356 27.815 -3.944 143 2HZ LYS 19 2HZ LYS 19 7.900 27.327 -4.157 144 3HZ LYS 19 3HZ LYS 19 7.375 28.704 -4.860 145 H SER 20 HN SER 20 8.378 21.420 -8.626 146 HA SER 20 HA SER 20 8.754 18.865 -7.314 147 1HB SER 20 2HB SER 20 6.253 19.776 -8.775 148 2HB SER 20 3HB SER 20 6.667 18.075 -8.681 149 HG SER 20 HG SER 20 5.219 18.950 -6.944 150 H THR 21 HN THR 21 10.608 18.325 -8.490 151 HA THR 21 HA THR 21 10.426 18.568 -11.414 152 HB THR 21 HB THR 21 12.987 17.950 -9.945 153 HG1 THR 21 HG1 THR 21 12.307 19.667 -8.654 154 1HG2 THR 21 1HG2 THR 21 13.516 18.418 -12.170 155 2HG2 THR 21 2HG2 THR 21 12.069 19.429 -12.404 156 3HG2 THR 21 3HG2 THR 21 13.487 20.085 -11.549 157 H TRP 22 HN TRP 22 9.665 16.798 -12.389 158 HA TRP 22 HA TRP 22 10.513 14.218 -11.262 159 1HB TRP 22 2HB TRP 22 7.956 15.173 -12.450 160 2HB TRP 22 3HB TRP 22 8.443 13.525 -12.797 161 HD1 TRP 22 HD1 TRP 22 9.381 14.823 -9.333 162 HE1 TRP 22 HE1 TRP 22 7.933 13.694 -7.438 163 HE3 TRP 22 HE3 TRP 22 6.083 12.560 -12.474 164 HZ2 TRP 22 HZ2 TRP 22 5.622 12.018 -7.465 165 HZ3 TRP 22 HZ3 TRP 22 4.260 11.196 -11.457 166 HH2 TRP 22 HH2 TRP 22 4.000 10.907 -9.044 167 H VAL 23 HN VAL 23 10.949 12.510 -12.931 168 HA VAL 23 HA VAL 23 11.384 13.423 -15.623 169 HB VAL 23 HB VAL 23 13.371 14.275 -14.503 170 1HG1 VAL 23 1HG1 VAL 23 13.335 12.580 -12.633 171 2HG1 VAL 23 2HG1 VAL 23 14.052 11.413 -13.770 172 3HG1 VAL 23 3HG1 VAL 23 14.939 12.893 -13.338 173 1HG2 VAL 23 1HG2 VAL 23 14.838 12.211 -15.821 174 2HG2 VAL 23 2HG2 VAL 23 13.323 12.471 -16.719 175 3HG2 VAL 23 3HG2 VAL 23 14.424 13.836 -16.416 176 H ILE 24 HN ILE 24 10.729 11.768 -16.890 177 HA ILE 24 HA ILE 24 10.218 9.230 -15.738 178 HB ILE 24 HB ILE 24 10.156 10.187 -18.602 179 1HG1 ILE 24 2HG1 ILE 24 7.785 9.774 -16.783 180 2HG1 ILE 24 3HG1 ILE 24 8.656 11.294 -16.803 181 1HG2 ILE 24 1HG2 ILE 24 10.342 7.635 -18.072 182 2HG2 ILE 24 2HG2 ILE 24 8.638 7.807 -17.588 183 3HG2 ILE 24 3HG2 ILE 24 9.138 8.222 -19.244 184 1HD1 ILE 24 1HD1 ILE 24 8.371 11.010 -19.467 185 2HD1 ILE 24 2HD1 ILE 24 6.975 10.033 -18.951 186 3HD1 ILE 24 3HD1 ILE 24 7.098 11.741 -18.460 187 H LEU 25 HN LEU 25 11.792 7.821 -15.185 188 HA LEU 25 HA LEU 25 14.040 7.584 -17.063 189 1HB LEU 25 2HB LEU 25 13.984 8.091 -14.207 190 2HB LEU 25 3HB LEU 25 14.885 6.634 -14.578 191 HG LEU 25 HG LEU 25 16.441 7.803 -15.935 192 1HD1 LEU 25 1HD1 LEU 25 16.001 10.449 -16.062 193 2HD1 LEU 25 2HD1 LEU 25 15.456 9.305 -17.310 194 3HD1 LEU 25 3HD1 LEU 25 14.317 9.872 -16.065 195 1HD2 LEU 25 1HD2 LEU 25 15.832 9.509 -13.505 196 2HD2 LEU 25 2HD2 LEU 25 16.815 8.026 -13.535 197 3HD2 LEU 25 3HD2 LEU 25 17.368 9.477 -14.404 198 H HIS 26 HN HIS 26 14.063 5.681 -18.122 199 HA HIS 26 HA HIS 26 13.332 3.666 -18.717 200 1HB HIS 26 2HB HIS 26 14.257 2.865 -15.953 201 2HB HIS 26 3HB HIS 26 14.296 1.908 -17.420 202 HD1 HIS 26 HD1 HIS 26 16.021 4.865 -15.775 203 HD2 HIS 26 HD2 HIS 26 16.542 2.274 -19.033 204 HE1 HIS 26 HE1 HIS 26 18.371 5.303 -16.668 205 H HIS 27 HN HIS 27 11.065 4.927 -18.275 206 HA HIS 27 HA HIS 27 8.965 4.776 -17.648 207 1HB HIS 27 2HB HIS 27 9.332 1.833 -17.127 208 2HB HIS 27 3HB HIS 27 7.935 2.671 -17.775 209 HD1 HIS 27 HD1 HIS 27 9.950 0.280 -19.011 210 HD2 HIS 27 HD2 HIS 27 9.369 4.225 -20.310 211 HE1 HIS 27 HE1 HIS 27 10.642 0.333 -21.466 212 H LYS 28 HN LYS 28 10.427 5.848 -15.659 213 HA LYS 28 HA LYS 28 8.922 5.169 -13.369 214 1HB LYS 28 2HB LYS 28 11.602 3.935 -13.663 215 2HB LYS 28 3HB LYS 28 11.297 4.719 -12.126 216 1HG LYS 28 2HG LYS 28 8.931 3.221 -12.866 217 2HG LYS 28 3HG LYS 28 10.324 2.172 -13.043 218 1HD LYS 28 2HD LYS 28 10.263 3.847 -10.559 219 2HD LYS 28 3HD LYS 28 9.043 2.594 -10.663 220 1HE LYS 28 2HE LYS 28 11.780 1.717 -11.458 221 2HE LYS 28 3HE LYS 28 11.629 2.189 -9.776 222 1HZ LYS 28 1HZ LYS 28 9.782 0.672 -9.572 223 2HZ LYS 28 2HZ LYS 28 9.906 0.239 -11.142 224 3HZ LYS 28 3HZ LYS 28 11.109 -0.123 -10.099 225 H VAL 29 HN VAL 29 8.386 7.295 -13.086 226 HA VAL 29 HA VAL 29 10.119 9.418 -13.616 227 HB VAL 29 HB VAL 29 8.453 10.778 -12.614 228 1HG1 VAL 29 1HG1 VAL 29 6.631 8.629 -13.560 229 2HG1 VAL 29 2HG1 VAL 29 6.774 10.327 -14.074 230 3HG1 VAL 29 3HG1 VAL 29 7.930 9.114 -14.677 231 1HG2 VAL 29 1HG2 VAL 29 6.969 8.438 -11.449 232 2HG2 VAL 29 2HG2 VAL 29 8.320 9.165 -10.546 233 3HG2 VAL 29 3HG2 VAL 29 6.915 10.160 -10.999 234 H TYR 30 HN TYR 30 11.485 10.668 -12.308 235 HA TYR 30 HA TYR 30 12.062 9.460 -9.687 236 1HB TYR 30 2HB TYR 30 13.660 10.600 -12.014 237 2HB TYR 30 3HB TYR 30 14.326 10.826 -10.409 238 HD1 TYR 30 HD1 TYR 30 12.431 7.814 -10.560 239 HD2 TYR 30 HD2 TYR 30 16.241 9.481 -11.564 240 HE1 TYR 30 HE1 TYR 30 13.437 5.480 -10.647 241 HE2 TYR 30 HE2 TYR 30 17.234 7.142 -11.646 242 HH TYR 30 HH TYR 30 16.387 4.842 -12.062 243 H ASP 31 HN ASP 31 11.051 10.749 -8.193 244 HA ASP 31 HA ASP 31 10.683 13.493 -8.652 245 1HB ASP 31 2HB ASP 31 9.159 12.208 -7.219 246 2HB ASP 31 3HB ASP 31 10.470 11.769 -6.143 247 H LEU 32 HN LEU 32 13.120 13.874 -9.131 248 HA LEU 32 HA LEU 32 14.799 13.860 -6.765 249 1HB LEU 32 2HB LEU 32 16.604 14.246 -8.226 250 2HB LEU 32 3HB LEU 32 15.592 13.017 -8.959 251 HG LEU 32 HG LEU 32 14.726 15.543 -9.965 252 1HD1 LEU 32 1HD1 LEU 32 17.519 15.339 -10.859 253 2HD1 LEU 32 2HD1 LEU 32 16.530 16.768 -10.473 254 3HD1 LEU 32 3HD1 LEU 32 17.326 15.858 -9.166 255 1HD2 LEU 32 1HD2 LEU 32 16.027 13.075 -11.087 256 2HD2 LEU 32 2HD2 LEU 32 14.368 13.684 -11.303 257 3HD2 LEU 32 3HD2 LEU 32 15.728 14.496 -12.117 258 H THR 33 HN THR 33 12.571 15.523 -6.446 259 HA THR 33 HA THR 33 13.057 18.177 -7.268 260 HB THR 33 HB THR 33 11.427 16.981 -4.965 261 HG1 THR 33 HG1 THR 33 11.034 16.351 -7.292 262 1HG2 THR 33 1HG2 THR 33 10.614 19.484 -6.404 263 2HG2 THR 33 2HG2 THR 33 10.392 19.042 -4.694 264 3HG2 THR 33 3HG2 THR 33 11.964 19.658 -5.257 265 H LYS 34 HN LYS 34 13.663 16.505 -4.107 266 HA LYS 34 HA LYS 34 14.900 18.741 -2.958 267 1HB LYS 34 2HB LYS 34 15.467 15.880 -2.183 268 2HB LYS 34 3HB LYS 34 15.435 17.306 -1.166 269 1HG LYS 34 2HG LYS 34 13.242 16.951 -0.727 270 2HG LYS 34 3HG LYS 34 12.865 17.150 -2.426 271 1HD LYS 34 2HD LYS 34 13.961 14.566 -2.312 272 2HD LYS 34 3HD LYS 34 13.039 14.676 -0.825 273 1HE LYS 34 2HE LYS 34 11.765 15.628 -3.401 274 2HE LYS 34 3HE LYS 34 11.869 13.905 -3.096 275 1HZ LYS 34 1HZ LYS 34 10.863 15.624 -0.982 276 2HZ LYS 34 2HZ LYS 34 9.877 15.272 -2.235 277 3HZ LYS 34 3HZ LYS 34 10.490 14.069 -1.316 278 H TYR 35 HN TYR 35 16.111 15.992 -4.924 279 HA TYR 35 HA TYR 35 18.834 16.959 -4.643 280 1HB TYR 35 2HB TYR 35 18.164 14.507 -4.629 281 2HB TYR 35 3HB TYR 35 17.441 14.700 -6.213 282 HD1 TYR 35 HD1 TYR 35 18.739 14.472 -8.186 283 HD2 TYR 35 HD2 TYR 35 20.689 14.804 -4.392 284 HE1 TYR 35 HE1 TYR 35 20.958 13.859 -9.264 285 HE2 TYR 35 HE2 TYR 35 22.902 14.190 -5.484 286 HH TYR 35 HH TYR 35 23.942 13.799 -7.341 287 H LEU 36 HN LEU 36 16.478 18.400 -6.138 288 HA LEU 36 HA LEU 36 17.244 18.298 -8.875 289 1HB LEU 36 2HB LEU 36 14.986 18.808 -8.243 290 2HB LEU 36 3HB LEU 36 15.503 20.177 -7.280 291 HG LEU 36 HG LEU 36 14.463 20.744 -9.490 292 1HD1 LEU 36 1HD1 LEU 36 16.750 21.861 -8.213 293 2HD1 LEU 36 2HD1 LEU 36 16.963 22.030 -9.972 294 3HD1 LEU 36 3HD1 LEU 36 15.503 22.678 -9.186 295 1HD2 LEU 36 1HD2 LEU 36 16.946 19.376 -10.525 296 2HD2 LEU 36 2HD2 LEU 36 15.245 19.090 -10.964 297 3HD2 LEU 36 3HD2 LEU 36 16.056 20.589 -11.477 298 H GLU 37 HN GLU 37 17.777 20.630 -6.151 299 HA GLU 37 HA GLU 37 19.600 22.080 -7.841 300 1HB GLU 37 2HB GLU 37 19.656 23.723 -6.036 301 2HB GLU 37 3HB GLU 37 17.990 23.284 -6.356 302 1HG GLU 37 2HG GLU 37 18.245 21.533 -4.458 303 2HG GLU 37 3HG GLU 37 19.747 22.340 -4.052 304 H GLU 38 HN GLU 38 19.701 19.344 -5.857 305 HA GLU 38 HA GLU 38 22.278 19.906 -4.735 306 1HB GLU 38 2HB GLU 38 20.383 18.521 -3.639 307 2HB GLU 38 3HB GLU 38 20.831 17.231 -4.737 308 1HG GLU 38 2HG GLU 38 22.308 16.638 -3.092 309 2HG GLU 38 3HG GLU 38 23.308 17.913 -3.760 310 H HIS 39 HN HIS 39 20.886 18.460 -7.612 311 HA HIS 39 HA HIS 39 22.743 16.595 -8.308 312 1HB HIS 39 2HB HIS 39 20.574 17.298 -9.469 313 2HB HIS 39 3HB HIS 39 21.514 18.548 -10.263 314 HD1 HIS 39 HD1 HIS 39 21.629 17.699 -12.633 315 HD2 HIS 39 HD2 HIS 39 22.665 14.762 -9.822 316 HE1 HIS 39 HE1 HIS 39 22.460 15.690 -13.969 317 HA PRO 40 HA PRO 40 26.356 18.992 -8.730 318 1HB PRO 40 2HB PRO 40 28.056 16.983 -9.469 319 2HB PRO 40 3HB PRO 40 27.655 17.333 -7.800 320 1HG PRO 40 2HG PRO 40 26.709 15.112 -9.505 321 2HG PRO 40 3HG PRO 40 26.671 15.247 -7.759 322 1HD PRO 40 2HD PRO 40 24.462 15.594 -9.556 323 2HD PRO 40 3HD PRO 40 24.450 15.843 -7.822 324 H GLY 41 HN GLY 41 25.109 16.954 -11.242 325 1HA GLY 41 1HA GLY 41 26.764 17.883 -13.321 326 2HA GLY 41 2HA GLY 41 25.187 17.136 -13.481 327 H GLY 42 HN GLY 42 23.259 18.667 -12.737 328 1HA GLY 42 1HA GLY 42 23.621 21.471 -12.939 329 2HA GLY 42 2HA GLY 42 23.141 20.814 -14.492 330 H GLU 43 HN GLU 43 21.578 22.608 -12.756 331 HA GLU 43 HA GLU 43 19.544 20.872 -11.687 332 1HB GLU 43 2HB GLU 43 18.588 22.891 -10.724 333 2HB GLU 43 3HB GLU 43 20.316 22.901 -10.431 334 1HG GLU 43 2HG GLU 43 20.631 24.387 -12.435 335 2HG GLU 43 3HG GLU 43 18.895 24.400 -12.684 336 H GLU 44 HN GLU 44 20.267 22.803 -14.537 337 HA GLU 44 HA GLU 44 17.543 23.019 -15.329 338 1HB GLU 44 2HB GLU 44 19.321 24.689 -15.946 339 2HB GLU 44 3HB GLU 44 20.090 23.474 -16.947 340 1HG GLU 44 2HG GLU 44 18.380 23.496 -18.550 341 2HG GLU 44 3HG GLU 44 17.157 24.004 -17.402 342 H VAL 45 HN VAL 45 20.446 21.141 -16.448 343 HA VAL 45 HA VAL 45 19.444 19.764 -18.509 344 HB VAL 45 HB VAL 45 21.625 19.299 -18.042 345 1HG1 VAL 45 1HG1 VAL 45 22.271 18.387 -15.656 346 2HG1 VAL 45 2HG1 VAL 45 22.047 20.133 -15.928 347 3HG1 VAL 45 3HG1 VAL 45 20.751 19.175 -15.171 348 1HG2 VAL 45 1HG2 VAL 45 20.641 16.852 -16.613 349 2HG2 VAL 45 2HG2 VAL 45 20.086 17.163 -18.275 350 3HG2 VAL 45 3HG2 VAL 45 21.827 17.006 -17.932 351 H LEU 46 HN LEU 46 18.480 19.491 -15.110 352 HA LEU 46 HA LEU 46 16.974 17.077 -15.639 353 1HB LEU 46 2HB LEU 46 16.831 18.647 -13.097 354 2HB LEU 46 3HB LEU 46 16.670 16.921 -13.355 355 HG LEU 46 HG LEU 46 19.317 18.213 -13.911 356 1HD1 LEU 46 1HD1 LEU 46 18.403 17.453 -11.124 357 2HD1 LEU 46 2HD1 LEU 46 20.005 18.062 -11.605 358 3HD1 LEU 46 3HD1 LEU 46 18.578 19.119 -11.724 359 1HD2 LEU 46 1HD2 LEU 46 18.256 15.499 -13.340 360 2HD2 LEU 46 2HD2 LEU 46 19.559 16.024 -14.433 361 3HD2 LEU 46 3HD2 LEU 46 19.864 15.889 -12.684 362 H ARG 47 HN ARG 47 16.347 20.514 -14.654 363 HA ARG 47 HA ARG 47 13.603 20.263 -14.766 364 1HB ARG 47 2HB ARG 47 15.587 22.408 -14.494 365 2HB ARG 47 3HB ARG 47 14.230 22.949 -15.462 366 1HG ARG 47 2HG ARG 47 12.753 22.861 -13.696 367 2HG ARG 47 3HG ARG 47 13.463 21.402 -13.035 368 1HD ARG 47 2HD ARG 47 13.788 23.429 -11.563 369 2HD ARG 47 3HD ARG 47 15.293 22.654 -12.016 370 HE ARG 47 HE ARG 47 15.864 24.530 -13.324 371 1HH1 ARG 47 1HH1 ARG 47 14.084 27.485 -13.852 372 2HH1 ARG 47 2HH1 ARG 47 15.612 26.687 -14.032 373 1HH2 ARG 47 1HH2 ARG 47 12.296 26.362 -12.890 374 2HH2 ARG 47 2HH2 ARG 47 12.487 24.727 -12.354 375 H GLU 48 HN GLU 48 15.882 21.821 -17.151 376 HA GLU 48 HA GLU 48 14.295 22.555 -19.084 377 1HB GLU 48 2HB GLU 48 16.673 22.731 -19.367 378 2HB GLU 48 3HB GLU 48 16.893 20.994 -19.304 379 1HG GLU 48 2HG GLU 48 16.568 20.810 -21.542 380 2HG GLU 48 3HG GLU 48 15.020 21.624 -21.432 381 H GLN 49 HN GLN 49 15.182 19.115 -18.434 382 HA GLN 49 HA GLN 49 12.915 18.395 -20.117 383 1HB GLN 49 2HB GLN 49 14.176 16.375 -20.861 384 2HB GLN 49 3HB GLN 49 14.938 17.866 -21.379 385 1HG GLN 49 2HG GLN 49 16.487 17.729 -19.390 386 2HG GLN 49 3HG GLN 49 15.756 16.198 -18.952 387 1HE2 GLN 49 1HE2 GLN 49 15.462 14.779 -21.114 388 2HE2 GLN 49 2HE2 GLN 49 16.940 14.503 -21.973 389 H ALA 50 HN ALA 50 12.485 18.826 -17.462 390 HA ALA 50 HA ALA 50 13.019 16.523 -15.878 391 1HB ALA 50 1HB ALA 50 12.744 18.348 -14.523 392 2HB ALA 50 2HB ALA 50 11.586 19.129 -15.627 393 3HB ALA 50 3HB ALA 50 11.046 17.817 -14.552 394 H GLY 51 HN GLY 51 9.706 17.818 -16.185 395 1HA GLY 51 1HA GLY 51 8.337 15.507 -15.982 396 2HA GLY 51 2HA GLY 51 7.790 16.875 -16.932 397 H GLY 52 HN GLY 52 10.070 16.726 -18.874 398 1HA GLY 52 1HA GLY 52 8.896 15.083 -20.807 399 2HA GLY 52 2HA GLY 52 10.499 15.789 -20.870 400 H ASP 53 HN ASP 53 11.787 14.098 -21.564 401 HA ASP 53 HA ASP 53 11.817 11.801 -19.782 402 1HB ASP 53 2HB ASP 53 10.642 11.120 -21.839 403 2HB ASP 53 3HB ASP 53 11.923 11.783 -22.833 404 H ALA 54 HN ALA 54 13.887 11.777 -18.893 405 HA ALA 54 HA ALA 54 16.076 12.750 -20.600 406 1HB ALA 54 1HB ALA 54 16.227 12.639 -17.594 407 2HB ALA 54 2HB ALA 54 17.048 13.736 -18.731 408 3HB ALA 54 3HB ALA 54 15.319 13.957 -18.372 409 H THR 55 HN THR 55 14.809 10.011 -20.460 410 HA THR 55 HA THR 55 16.238 8.234 -18.927 411 HB THR 55 HB THR 55 15.086 8.018 -21.756 412 HG1 THR 55 HG1 THR 55 14.268 7.404 -19.004 413 1HG2 THR 55 1HG2 THR 55 16.751 6.125 -20.688 414 2HG2 THR 55 2HG2 THR 55 15.225 5.671 -19.891 415 3HG2 THR 55 3HG2 THR 55 15.325 5.708 -21.667 416 H GLU 56 HN GLU 56 16.984 8.776 -22.432 417 HA GLU 56 HA GLU 56 19.484 7.623 -22.195 418 1HB GLU 56 2HB GLU 56 18.377 9.589 -24.244 419 2HB GLU 56 3HB GLU 56 19.910 8.761 -24.431 420 1HG GLU 56 2HG GLU 56 18.361 6.603 -23.886 421 2HG GLU 56 3HG GLU 56 17.119 7.647 -24.548 422 H ASN 57 HN ASN 57 18.341 10.988 -21.780 423 HA ASN 57 HA ASN 57 20.844 12.181 -21.848 424 1HB ASN 57 2HB ASN 57 18.098 12.894 -20.876 425 2HB ASN 57 3HB ASN 57 19.403 13.809 -20.149 426 1HD2 ASN 57 1HD2 ASN 57 20.305 15.426 -21.217 427 2HD2 ASN 57 2HD2 ASN 57 20.022 15.849 -22.873 428 H PHE 58 HN PHE 58 19.300 10.064 -19.575 429 HA PHE 58 HA PHE 58 20.900 11.054 -17.345 430 1HB PHE 58 2HB PHE 58 18.453 10.577 -17.041 431 2HB PHE 58 3HB PHE 58 18.670 8.962 -17.685 432 HD1 PHE 58 HD1 PHE 58 18.875 7.217 -16.190 433 HD2 PHE 58 HD2 PHE 58 19.975 11.114 -14.925 434 HE1 PHE 58 HE1 PHE 58 19.286 6.347 -13.872 435 HE2 PHE 58 HE2 PHE 58 20.387 10.246 -12.606 436 HZ PHE 58 HZ PHE 58 20.038 7.873 -12.108 437 H GLU 59 HN GLU 59 20.344 8.175 -19.436 438 HA GLU 59 HA GLU 59 22.291 6.671 -17.995 439 1HB GLU 59 2HB GLU 59 20.740 6.144 -20.563 440 2HB GLU 59 3HB GLU 59 21.888 5.002 -19.895 441 1HG GLU 59 2HG GLU 59 20.001 5.972 -17.850 442 2HG GLU 59 3HG GLU 59 19.169 5.233 -19.203 443 H ASP 60 HN ASP 60 22.140 8.762 -20.855 444 HA ASP 60 HA ASP 60 24.357 7.869 -22.189 445 1HB ASP 60 2HB ASP 60 22.843 9.530 -23.144 446 2HB ASP 60 3HB ASP 60 23.191 10.667 -21.856 447 H VAL 61 HN VAL 61 23.961 10.259 -19.495 448 HA VAL 61 HA VAL 61 26.690 11.001 -19.423 449 HB VAL 61 HB VAL 61 26.102 12.189 -17.452 450 1HG1 VAL 61 1HG1 VAL 61 23.684 13.063 -18.254 451 2HG1 VAL 61 2HG1 VAL 61 25.198 13.487 -19.089 452 3HG1 VAL 61 3HG1 VAL 61 24.171 12.176 -19.717 453 1HG2 VAL 61 1HG2 VAL 61 23.344 11.330 -17.086 454 2HG2 VAL 61 2HG2 VAL 61 24.489 9.986 -16.856 455 3HG2 VAL 61 3HG2 VAL 61 24.662 11.476 -15.898 456 H GLY 62 HN GLY 62 24.978 8.155 -18.505 457 1HA GLY 62 1HA GLY 62 25.602 6.295 -17.413 458 2HA GLY 62 2HA GLY 62 27.262 6.809 -17.634 459 H HIS 63 HN HIS 63 24.390 7.036 -15.495 460 HA HIS 63 HA HIS 63 25.728 8.517 -13.493 461 1HB HIS 63 2HB HIS 63 23.143 6.987 -13.663 462 2HB HIS 63 3HB HIS 63 23.717 7.569 -12.113 463 HD1 HIS 63 HD1 HIS 63 23.057 9.019 -15.608 464 HD2 HIS 63 HD2 HIS 63 22.911 10.119 -11.562 465 HE1 HIS 63 HE1 HIS 63 22.090 11.380 -15.543 466 H SER 64 HN SER 64 26.761 7.829 -11.597 467 HA SER 64 HA SER 64 27.803 5.181 -11.775 468 1HB SER 64 2HB SER 64 28.256 7.436 -9.772 469 2HB SER 64 3HB SER 64 29.109 5.905 -9.720 470 HG SER 64 HG SER 64 29.217 6.994 -12.260 471 H THR 65 HN THR 65 27.976 3.912 -9.539 472 HA THR 65 HA THR 65 25.466 3.031 -8.846 473 HB THR 65 HB THR 65 28.260 2.868 -7.722 474 HG1 THR 65 HG1 THR 65 27.647 1.303 -9.250 475 1HG2 THR 65 1HG2 THR 65 26.606 3.044 -5.721 476 2HG2 THR 65 2HG2 THR 65 25.874 1.548 -6.350 477 3HG2 THR 65 3HG2 THR 65 27.574 1.552 -5.821 478 H ASP 66 HN ASP 66 27.488 5.522 -7.182 479 HA ASP 66 HA ASP 66 26.116 5.957 -4.982 480 1HB ASP 66 2HB ASP 66 27.656 7.615 -6.845 481 2HB ASP 66 3HB ASP 66 26.418 8.572 -6.055 482 H ALA 67 HN ALA 67 25.183 6.966 -8.324 483 HA ALA 67 HA ALA 67 22.902 8.440 -7.536 484 1HB ALA 67 1HB ALA 67 24.231 8.619 -9.701 485 2HB ALA 67 2HB ALA 67 23.440 7.110 -10.215 486 3HB ALA 67 3HB ALA 67 22.462 8.561 -9.891 487 H ARG 68 HN ARG 68 23.459 5.063 -8.715 488 HA ARG 68 HA ARG 68 20.969 4.214 -9.028 489 1HB ARG 68 2HB ARG 68 23.106 2.849 -9.220 490 2HB ARG 68 3HB ARG 68 23.105 2.666 -7.477 491 1HG ARG 68 2HG ARG 68 20.808 1.606 -7.638 492 2HG ARG 68 3HG ARG 68 20.921 1.701 -9.384 493 1HD ARG 68 2HD ARG 68 23.159 0.382 -9.140 494 2HD ARG 68 3HD ARG 68 22.656 0.059 -7.492 495 HE ARG 68 HE ARG 68 21.076 -1.464 -8.302 496 1HH1 ARG 68 1HH1 ARG 68 19.983 -2.114 -11.552 497 2HH1 ARG 68 2HH1 ARG 68 19.934 -2.632 -9.900 498 1HH2 ARG 68 1HH2 ARG 68 21.208 -0.232 -12.141 499 2HH2 ARG 68 2HH2 ARG 68 22.074 0.653 -10.929 500 H GLU 69 HN GLU 69 22.674 4.760 -5.904 501 HA GLU 69 HA GLU 69 20.646 3.618 -4.337 502 1HB GLU 69 2HB GLU 69 23.175 5.088 -3.918 503 2HB GLU 69 3HB GLU 69 21.978 5.424 -2.683 504 1HG GLU 69 2HG GLU 69 22.446 3.437 -1.706 505 2HG GLU 69 3HG GLU 69 21.861 2.607 -3.135 506 H LEU 70 HN LEU 70 21.514 7.029 -5.210 507 HA LEU 70 HA LEU 70 19.462 8.222 -3.743 508 1HB LEU 70 2HB LEU 70 21.290 9.006 -5.954 509 2HB LEU 70 3HB LEU 70 19.874 10.005 -5.691 510 HG LEU 70 HG LEU 70 20.610 10.796 -3.670 511 1HD1 LEU 70 1HD1 LEU 70 20.777 8.844 -2.379 512 2HD1 LEU 70 2HD1 LEU 70 22.104 8.191 -3.369 513 3HD1 LEU 70 3HD1 LEU 70 22.393 9.583 -2.297 514 1HD2 LEU 70 1HD2 LEU 70 22.624 10.580 -5.692 515 2HD2 LEU 70 2HD2 LEU 70 22.355 11.877 -4.503 516 3HD2 LEU 70 3HD2 LEU 70 23.398 10.494 -4.091 517 H SER 71 HN SER 71 19.625 7.696 -7.340 518 HA SER 71 HA SER 71 17.204 8.415 -8.047 519 1HB SER 71 2HB SER 71 17.284 6.278 -9.621 520 2HB SER 71 3HB SER 71 18.449 7.572 -9.815 521 HG SER 71 HG SER 71 18.802 4.974 -8.660 522 H LYS 72 HN LYS 72 17.984 5.102 -6.755 523 HA LYS 72 HA LYS 72 15.346 4.198 -6.742 524 1HB LYS 72 2HB LYS 72 17.144 2.634 -6.654 525 2HB LYS 72 3HB LYS 72 17.820 3.368 -5.215 526 1HG LYS 72 2HG LYS 72 16.677 1.596 -4.235 527 2HG LYS 72 3HG LYS 72 15.419 2.815 -4.177 528 1HD LYS 72 2HD LYS 72 14.921 1.827 -6.663 529 2HD LYS 72 3HD LYS 72 15.648 0.400 -5.950 530 1HE LYS 72 2HE LYS 72 14.009 0.823 -3.941 531 2HE LYS 72 3HE LYS 72 13.156 1.888 -5.040 532 1HZ LYS 72 1HZ LYS 72 13.812 -0.657 -6.161 533 2HZ LYS 72 2HZ LYS 72 12.785 -0.741 -4.894 534 3HZ LYS 72 3HZ LYS 72 12.402 0.164 -6.197 535 H THR 73 HN THR 73 17.318 5.957 -4.295 536 HA THR 73 HA THR 73 15.358 5.803 -2.260 537 HB THR 73 HB THR 73 17.980 7.111 -2.802 538 HG1 THR 73 HG1 THR 73 17.928 6.470 -0.392 539 1HG2 THR 73 1HG2 THR 73 16.600 9.123 -2.157 540 2HG2 THR 73 2HG2 THR 73 16.041 8.241 -0.716 541 3HG2 THR 73 3HG2 THR 73 17.761 8.669 -0.886 542 H TYR 74 HN TYR 74 15.814 7.907 -5.071 543 HA TYR 74 HA TYR 74 13.711 9.670 -4.058 544 1HB TYR 74 2HB TYR 74 15.856 9.656 -6.240 545 2HB TYR 74 3HB TYR 74 14.522 10.784 -6.375 546 HD1 TYR 74 HD1 TYR 74 17.445 9.824 -4.308 547 HD2 TYR 74 HD2 TYR 74 14.415 12.760 -5.016 548 HE1 TYR 74 HE1 TYR 74 18.665 11.459 -2.790 549 HE2 TYR 74 HE2 TYR 74 15.645 14.386 -3.495 550 HH TYR 74 HH TYR 74 18.657 13.411 -1.876 551 H ILE 75 HN ILE 75 12.953 6.979 -4.769 552 HA ILE 75 HA ILE 75 11.588 7.447 -7.324 553 HB ILE 75 HB ILE 75 13.182 5.509 -7.101 554 1HG1 ILE 75 2HG1 ILE 75 11.715 3.971 -8.320 555 2HG1 ILE 75 3HG1 ILE 75 10.300 4.850 -7.778 556 1HG2 ILE 75 1HG2 ILE 75 12.142 5.038 -4.701 557 2HG2 ILE 75 2HG2 ILE 75 11.062 3.992 -5.652 558 3HG2 ILE 75 3HG2 ILE 75 12.822 3.741 -5.712 559 1HD1 ILE 75 1HD1 ILE 75 11.511 5.360 -10.144 560 2HD1 ILE 75 2HD1 ILE 75 10.666 6.622 -9.217 561 3HD1 ILE 75 3HD1 ILE 75 12.437 6.476 -9.112 562 H ILE 76 HN ILE 76 9.342 7.311 -7.443 563 HA ILE 76 HA ILE 76 7.992 6.833 -4.882 564 HB ILE 76 HB ILE 76 6.608 8.688 -5.150 565 1HG1 ILE 76 2HG1 ILE 76 6.411 8.254 -7.710 566 2HG1 ILE 76 3HG1 ILE 76 6.157 9.870 -7.077 567 1HG2 ILE 76 1HG2 ILE 76 9.450 9.415 -5.888 568 2HG2 ILE 76 2HG2 ILE 76 8.208 10.612 -5.445 569 3HG2 ILE 76 3HG2 ILE 76 8.707 9.371 -4.270 570 1HD1 ILE 76 1HD1 ILE 76 7.617 10.130 -8.963 571 2HD1 ILE 76 2HD1 ILE 76 8.655 10.308 -7.529 572 3HD1 ILE 76 3HD1 ILE 76 8.652 8.779 -8.440 573 H GLY 77 HN GLY 77 8.035 6.690 -8.448 574 1HA GLY 77 1HA GLY 77 6.730 4.289 -8.671 575 2HA GLY 77 2HA GLY 77 5.450 5.485 -8.684 576 H GLU 78 HN GLU 78 5.095 4.678 -10.948 577 HA GLU 78 HA GLU 78 6.978 6.001 -12.744 578 1HB GLU 78 2HB GLU 78 6.674 4.262 -14.368 579 2HB GLU 78 3HB GLU 78 6.978 3.456 -12.842 580 1HG GLU 78 2HG GLU 78 4.442 3.275 -12.536 581 2HG GLU 78 3HG GLU 78 4.262 3.881 -14.170 582 H LEU 79 HN LEU 79 5.828 6.451 -14.996 583 HA LEU 79 HA LEU 79 3.204 7.590 -14.339 584 1HB LEU 79 2HB LEU 79 3.673 9.405 -15.637 585 2HB LEU 79 3HB LEU 79 5.240 9.057 -14.936 586 HG LEU 79 HG LEU 79 5.544 9.616 -17.240 587 1HD1 LEU 79 1HD1 LEU 79 6.976 7.833 -16.330 588 2HD1 LEU 79 2HD1 LEU 79 5.832 6.614 -16.941 589 3HD1 LEU 79 3HD1 LEU 79 6.711 7.660 -18.081 590 1HD2 LEU 79 1HD2 LEU 79 4.053 9.196 -18.826 591 2HD2 LEU 79 2HD2 LEU 79 4.238 7.442 -18.595 592 3HD2 LEU 79 3HD2 LEU 79 3.056 8.347 -17.621 593 H HIS 80 HN HIS 80 1.507 7.460 -15.945 594 HA HIS 80 HA HIS 80 0.996 5.049 -16.931 595 1HB HIS 80 2HB HIS 80 -0.352 7.301 -16.936 596 2HB HIS 80 3HB HIS 80 0.226 7.438 -18.585 597 HD1 HIS 80 HD1 HIS 80 -2.759 7.166 -18.213 598 HD2 HIS 80 HD2 HIS 80 -0.222 3.850 -18.619 599 HE1 HIS 80 HE1 HIS 80 -4.224 5.239 -19.023 600 HA PRO 81 HA PRO 81 4.201 4.703 -19.951 601 1HB PRO 81 2HB PRO 81 4.240 1.972 -20.044 602 2HB PRO 81 3HB PRO 81 5.202 2.906 -18.916 603 1HG PRO 81 2HG PRO 81 2.744 1.346 -18.406 604 2HG PRO 81 3HG PRO 81 3.938 1.922 -17.258 605 1HD PRO 81 2HD PRO 81 1.342 3.042 -17.741 606 2HD PRO 81 3HD PRO 81 2.579 3.684 -16.680 607 H ASP 82 HN ASP 82 0.976 4.306 -20.091 608 HA ASP 82 HA ASP 82 0.884 2.961 -22.582 609 1HB ASP 82 2HB ASP 82 -0.934 3.346 -20.625 610 2HB ASP 82 3HB ASP 82 -1.358 4.731 -21.613 611 H ASP 83 HN ASP 83 0.954 6.317 -21.336 612 HA ASP 83 HA ASP 83 0.503 7.335 -24.006 613 1HB ASP 83 2HB ASP 83 0.641 8.588 -21.239 614 2HB ASP 83 3HB ASP 83 0.716 9.591 -22.673 615 H ARG 84 HN ARG 84 3.034 6.078 -22.301 616 HA ARG 84 HA ARG 84 4.953 8.047 -22.289 617 1HB ARG 84 2HB ARG 84 4.811 5.155 -21.936 618 2HB ARG 84 3HB ARG 84 6.244 5.553 -22.862 619 1HG ARG 84 2HG ARG 84 6.232 7.506 -20.849 620 2HG ARG 84 3HG ARG 84 5.644 6.080 -20.017 621 1HD ARG 84 2HD ARG 84 7.985 5.871 -19.781 622 2HD ARG 84 3HD ARG 84 7.654 4.832 -21.154 623 HE ARG 84 HE ARG 84 8.869 7.554 -21.277 624 1HH1 ARG 84 1HH1 ARG 84 10.050 6.898 -24.495 625 2HH1 ARG 84 2HH1 ARG 84 10.068 8.012 -23.169 626 1HH2 ARG 84 1HH2 ARG 84 8.811 4.941 -24.351 627 2HH2 ARG 84 2HH2 ARG 84 7.903 4.593 -22.917 628 H SER 85 HN SER 85 3.384 6.485 -24.928 629 HA SER 85 HA SER 85 5.628 6.672 -26.696 630 1HB SER 85 2HB SER 85 3.822 4.873 -26.813 631 2HB SER 85 3HB SER 85 2.710 6.105 -27.375 632 HG SER 85 HG SER 85 3.976 6.422 -29.248 633 H LYS 86 HN LYS 86 2.617 8.442 -25.890 634 HA LYS 86 HA LYS 86 3.096 10.322 -28.053 635 1HB LYS 86 2HB LYS 86 0.802 9.399 -26.555 636 2HB LYS 86 3HB LYS 86 0.911 11.145 -26.460 637 1HG LYS 86 2HG LYS 86 0.966 11.358 -28.886 638 2HG LYS 86 3HG LYS 86 1.169 9.631 -29.095 639 1HD LYS 86 2HD LYS 86 -1.136 9.564 -27.687 640 2HD LYS 86 3HD LYS 86 -1.306 11.177 -28.348 641 1HE LYS 86 2HE LYS 86 -2.352 9.733 -29.948 642 2HE LYS 86 3HE LYS 86 -0.811 10.163 -30.662 643 1HZ LYS 86 1HZ LYS 86 0.077 8.086 -29.804 644 2HZ LYS 86 2HZ LYS 86 -1.382 7.682 -29.194 645 3HZ LYS 86 3HZ LYS 86 -1.182 7.822 -30.809 646 H ILE 87 HN ILE 87 4.821 9.863 -25.494 647 HA ILE 87 HA ILE 87 4.489 12.308 -24.050 648 HB ILE 87 HB ILE 87 5.559 9.886 -23.485 649 1HG1 ILE 87 2HG1 ILE 87 6.788 11.690 -21.689 650 2HG1 ILE 87 3HG1 ILE 87 5.314 12.474 -22.221 651 1HG2 ILE 87 1HG2 ILE 87 7.534 10.218 -24.858 652 2HG2 ILE 87 2HG2 ILE 87 7.906 11.734 -24.003 653 3HG2 ILE 87 3HG2 ILE 87 7.979 10.182 -23.135 654 1HD1 ILE 87 1HD1 ILE 87 4.137 10.198 -21.776 655 2HD1 ILE 87 2HD1 ILE 87 5.617 9.762 -20.888 656 3HD1 ILE 87 3HD1 ILE 87 4.641 11.152 -20.360 657 H ALA 88 HN ALA 88 6.536 11.073 -26.722 658 HA ALA 88 HA ALA 88 8.487 12.935 -26.846 659 1HB ALA 88 1HB ALA 88 8.691 11.366 -28.505 660 2HB ALA 88 2HB ALA 88 6.940 11.318 -28.825 661 3HB ALA 88 3HB ALA 88 7.929 12.648 -29.476 662 HHA HEM 95 HA HEM 95 27.077 13.166 -12.856 663 HHB HEM 95 HB HEM 95 22.957 11.181 -8.473 664 HHC HEM 95 HC HEM 95 18.153 12.594 -12.423 665 HHD HEM 95 HD HEM 95 22.324 14.622 -16.738 666 1HMA HEM 95 1HMA HEM 95 25.824 11.685 -7.453 667 2HMA HEM 95 2HMA HEM 95 26.478 10.210 -8.270 668 3HMA HEM 95 3HMA HEM 95 24.740 10.283 -7.845 669 1HAA HEM 95 1HAA HEM 95 27.721 10.567 -11.091 670 2HAA HEM 95 2HAA HEM 95 28.044 11.385 -9.455 671 1HBA HEM 95 1HBA HEM 95 28.923 13.290 -10.234 672 2HBA HEM 95 2HBA HEM 95 28.913 12.640 -11.913 673 1HMB HEM 95 1HMB HEM 95 20.159 11.718 -7.099 674 2HMB HEM 95 2HMB HEM 95 21.251 10.369 -7.629 675 3HMB HEM 95 3HMB HEM 95 19.486 10.170 -7.772 676 HAB HEM 95 HAB HEM 95 17.477 12.473 -9.643 677 1HBB HEM 95 HBB HEM 95 17.662 9.394 -9.719 678 2HBB HEM 95 HBB HEM 95 16.158 10.493 -9.481 679 1HMC HEM 95 1HMC HEM 95 17.030 14.182 -14.591 680 2HMC HEM 95 2HMC HEM 95 17.276 12.403 -14.340 681 3HMC HEM 95 3HMC HEM 95 17.366 13.090 -15.991 682 HAC HEM 95 HAC HEM 95 20.563 14.558 -17.661 683 1HBC HEM 95 HBC HEM 95 17.760 15.285 -16.583 684 2HBC HEM 95 HBC HEM 95 18.470 15.609 -18.293 685 1HMD HEM 95 1HMD HEM 95 24.686 16.361 -16.832 686 2HMD HEM 95 2HMD HEM 95 24.473 14.838 -17.793 687 3HMD HEM 95 3HMD HEM 95 26.125 15.387 -17.317 688 1HAD HEM 95 1HAD HEM 95 28.007 13.968 -14.225 689 2HAD HEM 95 2HAD HEM 95 27.541 15.526 -14.959 690 1HBD HEM 95 1HBD HEM 95 28.714 14.802 -16.801 691 2HBD HEM 95 2HBD HEM 95 27.304 13.791 -17.163 Start of MODEL 8 1 H VAL 4 HN VAL 4 2.466 -1.084 -8.588 2 HA VAL 4 HA VAL 4 4.387 0.930 -7.675 3 HB VAL 4 HB VAL 4 4.669 -0.709 -9.708 4 1HG1 VAL 4 1HG1 VAL 4 3.148 1.572 -11.014 5 2HG1 VAL 4 2HG1 VAL 4 3.901 0.179 -11.827 6 3HG1 VAL 4 3HG1 VAL 4 2.502 -0.065 -10.755 7 1HG2 VAL 4 1HG2 VAL 4 5.433 1.950 -10.653 8 2HG2 VAL 4 2HG2 VAL 4 5.816 1.701 -8.932 9 3HG2 VAL 4 3HG2 VAL 4 6.449 0.575 -10.158 10 H LYS 5 HN LYS 5 4.066 3.143 -8.874 11 HA LYS 5 HA LYS 5 1.196 3.764 -8.745 12 1HB LYS 5 2HB LYS 5 2.856 4.646 -6.925 13 2HB LYS 5 3HB LYS 5 3.357 5.777 -8.167 14 1HG LYS 5 2HG LYS 5 1.602 6.877 -6.947 15 2HG LYS 5 3HG LYS 5 0.894 6.397 -8.476 16 1HD LYS 5 2HD LYS 5 0.704 4.401 -6.244 17 2HD LYS 5 3HD LYS 5 -0.257 5.856 -6.065 18 1HE LYS 5 2HE LYS 5 -0.526 4.899 -8.792 19 2HE LYS 5 3HE LYS 5 -0.819 3.561 -7.698 20 1HZ LYS 5 1HZ LYS 5 -2.116 5.689 -6.596 21 2HZ LYS 5 2HZ LYS 5 -2.428 5.812 -8.196 22 3HZ LYS 5 3HZ LYS 5 -2.801 4.439 -7.394 23 H TYR 6 HN TYR 6 0.302 4.374 -10.636 24 HA TYR 6 HA TYR 6 2.137 5.141 -12.783 25 1HB TYR 6 2HB TYR 6 -0.838 4.342 -12.659 26 2HB TYR 6 3HB TYR 6 0.053 4.589 -14.148 27 HD1 TYR 6 HD1 TYR 6 2.506 3.162 -13.914 28 HD2 TYR 6 HD2 TYR 6 -1.322 2.105 -12.321 29 HE1 TYR 6 HE1 TYR 6 3.176 0.709 -13.913 30 HE2 TYR 6 HE2 TYR 6 -0.638 -0.344 -12.325 31 HH TYR 6 HH TYR 6 1.385 -1.646 -12.258 32 H TYR 7 HN TYR 7 2.362 7.266 -13.256 33 HA TYR 7 HA TYR 7 0.146 9.038 -12.487 34 1HB TYR 7 2HB TYR 7 3.087 9.632 -13.175 35 2HB TYR 7 3HB TYR 7 1.974 10.729 -12.382 36 HD1 TYR 7 HD1 TYR 7 4.746 8.831 -11.780 37 HD2 TYR 7 HD2 TYR 7 0.830 9.441 -10.170 38 HE1 TYR 7 HE1 TYR 7 5.542 8.006 -9.511 39 HE2 TYR 7 HE2 TYR 7 1.639 8.615 -7.906 40 HH TYR 7 HH TYR 7 4.717 7.104 -7.535 41 H THR 8 HN THR 8 -0.463 10.766 -13.947 42 HA THR 8 HA THR 8 -0.293 9.927 -16.702 43 HB THR 8 HB THR 8 -1.809 12.082 -16.852 44 HG1 THR 8 HG1 THR 8 -1.246 12.993 -14.814 45 1HG2 THR 8 1HG2 THR 8 -2.693 9.672 -16.696 46 2HG2 THR 8 2HG2 THR 8 -2.736 9.889 -14.930 47 3HG2 THR 8 3HG2 THR 8 -3.755 10.906 -15.978 48 H LEU 9 HN LEU 9 0.459 11.218 -18.466 49 HA LEU 9 HA LEU 9 2.974 12.301 -18.014 50 1HB LEU 9 2HB LEU 9 3.097 12.497 -20.256 51 2HB LEU 9 3HB LEU 9 1.759 11.370 -20.143 52 HG LEU 9 HG LEU 9 1.438 14.363 -20.492 53 1HD1 LEU 9 1HD1 LEU 9 2.101 12.284 -22.418 54 2HD1 LEU 9 2HD1 LEU 9 0.579 13.115 -22.822 55 3HD1 LEU 9 3HD1 LEU 9 2.074 14.055 -22.602 56 1HD2 LEU 9 1HD2 LEU 9 -0.420 12.891 -19.418 57 2HD2 LEU 9 2HD2 LEU 9 -0.840 14.039 -20.711 58 3HD2 LEU 9 3HD2 LEU 9 -0.669 12.306 -21.081 59 H GLU 10 HN GLU 10 -0.168 13.609 -17.428 60 HA GLU 10 HA GLU 10 0.434 16.296 -17.926 61 1HB GLU 10 2HB GLU 10 -1.798 14.745 -16.995 62 2HB GLU 10 3HB GLU 10 -1.541 16.035 -15.836 63 1HG GLU 10 2HG GLU 10 -1.549 17.710 -17.694 64 2HG GLU 10 3HG GLU 10 -1.795 16.422 -18.857 65 H GLU 11 HN GLU 11 0.859 14.106 -15.131 66 HA GLU 11 HA GLU 11 1.297 16.013 -13.201 67 1HB GLU 11 2HB GLU 11 1.566 13.164 -13.488 68 2HB GLU 11 3HB GLU 11 3.036 13.758 -12.741 69 1HG GLU 11 2HG GLU 11 1.878 13.765 -10.783 70 2HG GLU 11 3HG GLU 11 1.068 15.198 -11.388 71 H ILE 12 HN ILE 12 3.941 14.014 -14.699 72 HA ILE 12 HA ILE 12 6.088 15.345 -13.939 73 HB ILE 12 HB ILE 12 6.716 14.946 -16.568 74 1HG1 ILE 12 2HG1 ILE 12 4.142 14.190 -16.628 75 2HG1 ILE 12 3HG1 ILE 12 5.382 13.465 -17.633 76 1HG2 ILE 12 1HG2 ILE 12 6.617 13.011 -14.244 77 2HG2 ILE 12 2HG2 ILE 12 7.429 12.660 -15.789 78 3HG2 ILE 12 3HG2 ILE 12 7.982 14.020 -14.781 79 1HD1 ILE 12 1HD1 ILE 12 4.857 12.350 -14.864 80 2HD1 ILE 12 2HD1 ILE 12 3.805 11.902 -16.227 81 3HD1 ILE 12 3HD1 ILE 12 5.546 11.532 -16.288 82 H GLN 13 HN GLN 13 3.911 16.415 -16.621 83 HA GLN 13 HA GLN 13 5.361 18.575 -17.419 84 1HB GLN 13 2HB GLN 13 2.432 17.879 -17.426 85 2HB GLN 13 3HB GLN 13 2.885 19.513 -17.867 86 1HG GLN 13 2HG GLN 13 4.434 17.262 -19.134 87 2HG GLN 13 3HG GLN 13 2.786 17.508 -19.677 88 1HE2 GLN 13 1HE2 GLN 13 4.824 17.822 -21.413 89 2HE2 GLN 13 2HE2 GLN 13 5.047 19.484 -21.847 90 H LYS 14 HN LYS 14 2.453 18.771 -15.233 91 HA LYS 14 HA LYS 14 2.949 21.365 -14.408 92 1HB LYS 14 2HB LYS 14 1.373 20.840 -12.573 93 2HB LYS 14 3HB LYS 14 0.786 20.346 -14.148 94 1HG LYS 14 2HG LYS 14 1.602 18.004 -13.688 95 2HG LYS 14 3HG LYS 14 2.112 18.514 -12.091 96 1HD LYS 14 2HD LYS 14 -0.065 17.508 -11.827 97 2HD LYS 14 3HD LYS 14 -0.287 19.235 -11.629 98 1HE LYS 14 2HE LYS 14 -0.546 18.674 -14.438 99 2HE LYS 14 3HE LYS 14 -1.498 17.473 -13.588 100 1HZ LYS 14 1HZ LYS 14 -1.748 20.381 -13.462 101 2HZ LYS 14 2HZ LYS 14 -2.893 19.275 -13.828 102 3HZ LYS 14 3HZ LYS 14 -2.377 19.438 -12.287 103 H HIS 15 HN HIS 15 4.617 18.414 -13.671 104 HA HIS 15 HA HIS 15 5.742 19.599 -11.257 105 1HB HIS 15 2HB HIS 15 5.986 16.789 -12.369 106 2HB HIS 15 3HB HIS 15 6.675 17.350 -10.859 107 HD1 HIS 15 HD1 HIS 15 4.462 18.733 -9.418 108 HD2 HIS 15 HD2 HIS 15 3.780 15.320 -11.760 109 HE1 HIS 15 HE1 HIS 15 2.283 17.709 -8.572 110 H LYS 16 HN LYS 16 6.404 20.959 -13.601 111 HA LYS 16 HA LYS 16 9.124 19.998 -14.148 112 1HB LYS 16 2HB LYS 16 7.388 20.224 -16.043 113 2HB LYS 16 3HB LYS 16 7.575 21.955 -15.847 114 1HG LYS 16 2HG LYS 16 9.741 21.966 -16.676 115 2HG LYS 16 3HG LYS 16 10.122 20.390 -16.013 116 1HD LYS 16 2HD LYS 16 9.990 19.795 -18.246 117 2HD LYS 16 3HD LYS 16 8.305 19.571 -17.818 118 1HE LYS 16 2HE LYS 16 8.147 20.903 -19.756 119 2HE LYS 16 3HE LYS 16 8.019 22.098 -18.482 120 1HZ LYS 16 1HZ LYS 16 9.980 21.877 -20.443 121 2HZ LYS 16 2HZ LYS 16 9.796 23.050 -19.324 122 3HZ LYS 16 3HZ LYS 16 10.703 21.735 -18.987 123 H ASP 17 HN ASP 17 8.227 21.432 -11.710 124 HA ASP 17 HA ASP 17 9.818 23.836 -12.147 125 1HB ASP 17 2HB ASP 17 7.315 23.409 -10.472 126 2HB ASP 17 3HB ASP 17 8.423 24.718 -10.108 127 H SER 18 HN SER 18 10.925 24.568 -10.023 128 HA SER 18 HA SER 18 12.410 22.585 -8.956 129 1HB SER 18 2HB SER 18 11.636 25.327 -7.925 130 2HB SER 18 3HB SER 18 12.682 24.294 -6.971 131 HG SER 18 HG SER 18 13.154 25.329 -9.626 132 H LYS 19 HN LYS 19 9.375 24.057 -7.629 133 HA LYS 19 HA LYS 19 9.194 22.895 -5.218 134 1HB LYS 19 2HB LYS 19 7.427 24.116 -7.068 135 2HB LYS 19 3HB LYS 19 6.640 22.646 -6.535 136 1HG LYS 19 2HG LYS 19 7.980 24.276 -4.401 137 2HG LYS 19 3HG LYS 19 6.551 24.984 -5.131 138 1HD LYS 19 2HD LYS 19 5.437 23.733 -3.561 139 2HD LYS 19 3HD LYS 19 5.630 22.442 -4.730 140 1HE LYS 19 2HE LYS 19 6.994 21.284 -3.331 141 2HE LYS 19 3HE LYS 19 8.054 22.663 -3.129 142 1HZ LYS 19 1HZ LYS 19 5.597 22.981 -1.751 143 2HZ LYS 19 2HZ LYS 19 6.409 21.657 -1.251 144 3HZ LYS 19 3HZ LYS 19 7.125 23.123 -1.192 145 H SER 20 HN SER 20 8.174 21.334 -8.337 146 HA SER 20 HA SER 20 8.820 18.806 -7.079 147 1HB SER 20 2HB SER 20 6.159 19.551 -8.338 148 2HB SER 20 3HB SER 20 6.688 17.881 -8.280 149 HG SER 20 HG SER 20 6.342 17.794 -6.147 150 H THR 21 HN THR 21 10.609 18.397 -8.398 151 HA THR 21 HA THR 21 10.191 18.645 -11.297 152 HB THR 21 HB THR 21 12.846 18.227 -9.871 153 HG1 THR 21 HG1 THR 21 12.211 20.120 -8.872 154 1HG2 THR 21 1HG2 THR 21 13.423 18.429 -12.107 155 2HG2 THR 21 2HG2 THR 21 11.869 19.184 -12.535 156 3HG2 THR 21 3HG2 THR 21 13.163 20.163 -11.802 157 H TRP 22 HN TRP 22 9.533 16.856 -12.298 158 HA TRP 22 HA TRP 22 10.502 14.305 -11.207 159 1HB TRP 22 2HB TRP 22 7.925 15.152 -12.452 160 2HB TRP 22 3HB TRP 22 8.485 13.516 -12.739 161 HD1 TRP 22 HD1 TRP 22 9.407 14.789 -9.299 162 HE1 TRP 22 HE1 TRP 22 7.921 13.717 -7.401 163 HE3 TRP 22 HE3 TRP 22 5.997 12.688 -12.432 164 HZ2 TRP 22 HZ2 TRP 22 5.538 12.146 -7.423 165 HZ3 TRP 22 HZ3 TRP 22 4.122 11.401 -11.412 166 HH2 TRP 22 HH2 TRP 22 3.861 11.115 -8.999 167 H VAL 23 HN VAL 23 10.863 12.599 -12.973 168 HA VAL 23 HA VAL 23 11.341 13.573 -15.616 169 HB VAL 23 HB VAL 23 13.303 14.486 -14.598 170 1HG1 VAL 23 1HG1 VAL 23 14.066 11.737 -13.582 171 2HG1 VAL 23 2HG1 VAL 23 14.835 13.302 -13.223 172 3HG1 VAL 23 3HG1 VAL 23 13.216 12.938 -12.580 173 1HG2 VAL 23 1HG2 VAL 23 14.872 12.360 -15.654 174 2HG2 VAL 23 2HG2 VAL 23 13.373 12.444 -16.610 175 3HG2 VAL 23 3HG2 VAL 23 14.402 13.886 -16.441 176 H ILE 24 HN ILE 24 10.552 11.923 -16.807 177 HA ILE 24 HA ILE 24 10.198 9.356 -15.715 178 HB ILE 24 HB ILE 24 10.037 10.378 -18.552 179 1HG1 ILE 24 2HG1 ILE 24 7.616 9.704 -16.966 180 2HG1 ILE 24 3HG1 ILE 24 8.488 11.140 -16.467 181 1HG2 ILE 24 1HG2 ILE 24 10.337 7.791 -18.018 182 2HG2 ILE 24 2HG2 ILE 24 8.596 7.920 -17.670 183 3HG2 ILE 24 3HG2 ILE 24 9.220 8.379 -19.273 184 1HD1 ILE 24 1HD1 ILE 24 8.284 11.048 -19.380 185 2HD1 ILE 24 2HD1 ILE 24 6.677 10.924 -18.625 186 3HD1 ILE 24 3HD1 ILE 24 7.731 12.310 -18.253 187 H LEU 25 HN LEU 25 11.810 7.970 -15.221 188 HA LEU 25 HA LEU 25 14.050 7.851 -17.119 189 1HB LEU 25 2HB LEU 25 13.976 8.203 -14.235 190 2HB LEU 25 3HB LEU 25 14.921 6.799 -14.691 191 HG LEU 25 HG LEU 25 16.436 8.095 -15.981 192 1HD1 LEU 25 1HD1 LEU 25 15.958 10.711 -15.991 193 2HD1 LEU 25 2HD1 LEU 25 15.334 9.626 -17.256 194 3HD1 LEU 25 3HD1 LEU 25 14.271 10.145 -15.926 195 1HD2 LEU 25 1HD2 LEU 25 15.792 9.646 -13.457 196 2HD2 LEU 25 2HD2 LEU 25 16.794 8.179 -13.561 197 3HD2 LEU 25 3HD2 LEU 25 17.331 9.680 -14.352 198 H HIS 26 HN HIS 26 14.096 6.010 -18.280 199 HA HIS 26 HA HIS 26 13.403 4.013 -18.972 200 1HB HIS 26 2HB HIS 26 14.077 2.260 -17.003 201 2HB HIS 26 3HB HIS 26 15.201 2.972 -18.142 202 HD1 HIS 26 HD1 HIS 26 16.401 5.297 -17.238 203 HD2 HIS 26 HD2 HIS 26 14.667 2.771 -14.372 204 HE1 HIS 26 HE1 HIS 26 17.415 5.961 -14.992 205 H HIS 27 HN HIS 27 11.120 5.243 -18.387 206 HA HIS 27 HA HIS 27 9.022 4.973 -17.810 207 1HB HIS 27 2HB HIS 27 9.421 2.047 -17.278 208 2HB HIS 27 3HB HIS 27 8.062 2.867 -18.022 209 HD1 HIS 27 HD1 HIS 27 9.999 4.504 -20.089 210 HD2 HIS 27 HD2 HIS 27 9.801 0.356 -19.496 211 HE1 HIS 27 HE1 HIS 27 10.880 3.432 -22.232 212 H LYS 28 HN LYS 28 10.434 6.086 -15.819 213 HA LYS 28 HA LYS 28 8.965 5.354 -13.534 214 1HB LYS 28 2HB LYS 28 11.711 4.225 -13.805 215 2HB LYS 28 3HB LYS 28 11.278 4.902 -12.248 216 1HG LYS 28 2HG LYS 28 8.999 3.426 -12.940 217 2HG LYS 28 3HG LYS 28 10.305 2.436 -13.561 218 1HD LYS 28 2HD LYS 28 10.333 3.566 -10.730 219 2HD LYS 28 3HD LYS 28 9.598 2.021 -11.110 220 1HE LYS 28 2HE LYS 28 12.404 2.500 -12.101 221 2HE LYS 28 3HE LYS 28 12.192 2.235 -10.382 222 1HZ LYS 28 1HZ LYS 28 11.493 0.130 -10.724 223 2HZ LYS 28 2HZ LYS 28 10.833 0.425 -12.189 224 3HZ LYS 28 3HZ LYS 28 12.452 0.266 -12.038 225 H VAL 29 HN VAL 29 8.440 7.399 -12.971 226 HA VAL 29 HA VAL 29 10.135 9.584 -13.563 227 HB VAL 29 HB VAL 29 8.450 10.903 -12.509 228 1HG1 VAL 29 1HG1 VAL 29 6.636 8.826 -13.592 229 2HG1 VAL 29 2HG1 VAL 29 6.846 10.530 -14.060 230 3HG1 VAL 29 3HG1 VAL 29 7.983 9.297 -14.654 231 1HG2 VAL 29 1HG2 VAL 29 6.930 8.516 -11.510 232 2HG2 VAL 29 2HG2 VAL 29 8.281 9.153 -10.542 233 3HG2 VAL 29 3HG2 VAL 29 6.903 10.204 -10.947 234 H TYR 30 HN TYR 30 11.502 10.797 -12.234 235 HA TYR 30 HA TYR 30 12.051 9.559 -9.620 236 1HB TYR 30 2HB TYR 30 13.680 10.739 -11.910 237 2HB TYR 30 3HB TYR 30 14.334 10.901 -10.293 238 HD1 TYR 30 HD1 TYR 30 12.411 7.925 -10.506 239 HD2 TYR 30 HD2 TYR 30 16.226 9.566 -11.533 240 HE1 TYR 30 HE1 TYR 30 13.385 5.581 -10.664 241 HE2 TYR 30 HE2 TYR 30 17.187 7.217 -11.688 242 HH TYR 30 HH TYR 30 15.118 4.383 -11.117 243 H ASP 31 HN ASP 31 11.165 10.824 -8.050 244 HA ASP 31 HA ASP 31 10.764 13.581 -8.503 245 1HB ASP 31 2HB ASP 31 9.284 12.158 -7.067 246 2HB ASP 31 3HB ASP 31 10.604 11.929 -5.938 247 H LEU 32 HN LEU 32 13.207 13.937 -8.982 248 HA LEU 32 HA LEU 32 14.881 13.898 -6.611 249 1HB LEU 32 2HB LEU 32 16.695 14.239 -8.059 250 2HB LEU 32 3HB LEU 32 15.655 13.054 -8.824 251 HG LEU 32 HG LEU 32 14.889 15.646 -9.772 252 1HD1 LEU 32 1HD1 LEU 32 17.698 15.255 -10.623 253 2HD1 LEU 32 2HD1 LEU 32 16.765 16.748 -10.364 254 3HD1 LEU 32 3HD1 LEU 32 17.460 15.881 -8.974 255 1HD2 LEU 32 1HD2 LEU 32 16.099 13.165 -10.988 256 2HD2 LEU 32 2HD2 LEU 32 14.430 13.774 -11.100 257 3HD2 LEU 32 3HD2 LEU 32 15.743 14.615 -11.958 258 H THR 33 HN THR 33 12.669 15.586 -6.303 259 HA THR 33 HA THR 33 13.168 18.231 -7.123 260 HB THR 33 HB THR 33 11.583 17.092 -4.760 261 HG1 THR 33 HG1 THR 33 10.544 16.317 -6.573 262 1HG2 THR 33 1HG2 THR 33 10.708 19.511 -6.298 263 2HG2 THR 33 2HG2 THR 33 10.535 19.153 -4.563 264 3HG2 THR 33 3HG2 THR 33 12.084 19.757 -5.197 265 H LYS 34 HN LYS 34 13.846 16.545 -3.986 266 HA LYS 34 HA LYS 34 15.118 18.789 -2.870 267 1HB LYS 34 2HB LYS 34 15.659 15.937 -2.059 268 2HB LYS 34 3HB LYS 34 15.638 17.378 -1.063 269 1HG LYS 34 2HG LYS 34 13.446 17.037 -0.608 270 2HG LYS 34 3HG LYS 34 13.061 17.214 -2.308 271 1HD LYS 34 2HD LYS 34 14.061 14.654 -2.307 272 2HD LYS 34 3HD LYS 34 13.397 14.725 -0.687 273 1HE LYS 34 2HE LYS 34 11.756 15.653 -3.072 274 2HE LYS 34 3HE LYS 34 11.839 13.953 -2.656 275 1HZ LYS 34 1HZ LYS 34 10.796 14.325 -0.669 276 2HZ LYS 34 2HZ LYS 34 11.200 15.905 -0.588 277 3HZ LYS 34 3HZ LYS 34 10.035 15.412 -1.621 278 H TYR 35 HN TYR 35 16.253 15.988 -4.809 279 HA TYR 35 HA TYR 35 18.995 16.908 -4.583 280 1HB TYR 35 2HB TYR 35 18.274 14.470 -4.532 281 2HB TYR 35 3HB TYR 35 17.538 14.661 -6.110 282 HD1 TYR 35 HD1 TYR 35 18.819 14.433 -8.103 283 HD2 TYR 35 HD2 TYR 35 20.797 14.670 -4.317 284 HE1 TYR 35 HE1 TYR 35 21.013 13.764 -9.199 285 HE2 TYR 35 HE2 TYR 35 22.985 14.000 -5.426 286 HH TYR 35 HH TYR 35 23.587 12.646 -7.543 287 H LEU 36 HN LEU 36 16.669 18.405 -6.046 288 HA LEU 36 HA LEU 36 17.396 18.253 -8.797 289 1HB LEU 36 2HB LEU 36 15.151 18.798 -8.164 290 2HB LEU 36 3HB LEU 36 15.689 20.158 -7.198 291 HG LEU 36 HG LEU 36 14.653 20.773 -9.382 292 1HD1 LEU 36 1HD1 LEU 36 16.919 21.846 -8.120 293 2HD1 LEU 36 2HD1 LEU 36 17.269 21.896 -9.864 294 3HD1 LEU 36 3HD1 LEU 36 15.796 22.668 -9.230 295 1HD2 LEU 36 1HD2 LEU 36 17.032 19.270 -10.466 296 2HD2 LEU 36 2HD2 LEU 36 15.311 19.109 -10.889 297 3HD2 LEU 36 3HD2 LEU 36 16.222 20.550 -11.401 298 H GLU 37 HN GLU 37 17.991 20.593 -6.095 299 HA GLU 37 HA GLU 37 19.819 22.003 -7.814 300 1HB GLU 37 2HB GLU 37 19.918 23.660 -6.018 301 2HB GLU 37 3HB GLU 37 18.244 23.255 -6.343 302 1HG GLU 37 2HG GLU 37 17.942 22.548 -4.210 303 2HG GLU 37 3HG GLU 37 19.266 21.408 -4.356 304 H GLU 38 HN GLU 38 19.892 19.290 -5.797 305 HA GLU 38 HA GLU 38 22.487 19.827 -4.705 306 1HB GLU 38 2HB GLU 38 20.343 18.238 -3.923 307 2HB GLU 38 3HB GLU 38 21.468 17.052 -4.552 308 1HG GLU 38 2HG GLU 38 22.158 19.180 -2.469 309 2HG GLU 38 3HG GLU 38 21.807 17.503 -2.106 310 H HIS 39 HN HIS 39 21.062 18.412 -7.565 311 HA HIS 39 HA HIS 39 22.848 16.477 -8.252 312 1HB HIS 39 2HB HIS 39 20.712 17.261 -9.422 313 2HB HIS 39 3HB HIS 39 21.701 18.472 -10.213 314 HD1 HIS 39 HD1 HIS 39 21.786 17.614 -12.582 315 HD2 HIS 39 HD2 HIS 39 22.712 14.648 -9.764 316 HE1 HIS 39 HE1 HIS 39 22.547 15.576 -13.914 317 HA PRO 40 HA PRO 40 26.552 18.730 -8.662 318 1HB PRO 40 2HB PRO 40 28.175 16.657 -9.394 319 2HB PRO 40 3HB PRO 40 27.782 17.024 -7.727 320 1HG PRO 40 2HG PRO 40 26.757 14.840 -9.434 321 2HG PRO 40 3HG PRO 40 26.718 14.978 -7.687 322 1HD PRO 40 2HD PRO 40 24.530 15.408 -9.494 323 2HD PRO 40 3HD PRO 40 24.523 15.659 -7.759 324 H GLY 41 HN GLY 41 25.225 16.751 -11.176 325 1HA GLY 41 1HA GLY 41 26.926 17.611 -13.251 326 2HA GLY 41 2HA GLY 41 25.324 16.922 -13.416 327 H GLY 42 HN GLY 42 23.441 18.510 -12.721 328 1HA GLY 42 1HA GLY 42 23.896 21.301 -12.892 329 2HA GLY 42 2HA GLY 42 23.432 20.673 -14.461 330 H GLU 43 HN GLU 43 21.951 22.471 -12.538 331 HA GLU 43 HA GLU 43 19.816 20.794 -11.618 332 1HB GLU 43 2HB GLU 43 18.861 22.951 -10.768 333 2HB GLU 43 3HB GLU 43 20.491 22.650 -10.197 334 1HG GLU 43 2HG GLU 43 20.766 24.047 -12.678 335 2HG GLU 43 3HG GLU 43 19.500 24.873 -11.793 336 H GLU 44 HN GLU 44 20.646 22.785 -14.400 337 HA GLU 44 HA GLU 44 17.957 23.155 -15.222 338 1HB GLU 44 2HB GLU 44 20.593 23.496 -16.721 339 2HB GLU 44 3HB GLU 44 19.032 23.993 -17.343 340 1HG GLU 44 2HG GLU 44 19.676 24.978 -14.595 341 2HG GLU 44 3HG GLU 44 20.688 25.620 -15.874 342 H VAL 45 HN VAL 45 20.743 21.130 -16.392 343 HA VAL 45 HA VAL 45 19.633 19.830 -18.449 344 HB VAL 45 HB VAL 45 21.790 19.237 -18.042 345 1HG1 VAL 45 1HG1 VAL 45 22.392 18.263 -15.635 346 2HG1 VAL 45 2HG1 VAL 45 22.378 20.012 -15.968 347 3HG1 VAL 45 3HG1 VAL 45 20.987 19.248 -15.163 348 1HG2 VAL 45 1HG2 VAL 45 20.723 16.848 -16.576 349 2HG2 VAL 45 2HG2 VAL 45 20.135 17.184 -18.223 350 3HG2 VAL 45 3HG2 VAL 45 21.874 16.938 -17.932 351 H LEU 46 HN LEU 46 18.720 19.568 -15.036 352 HA LEU 46 HA LEU 46 17.111 17.220 -15.531 353 1HB LEU 46 2HB LEU 46 17.038 18.861 -13.027 354 2HB LEU 46 3HB LEU 46 16.773 17.142 -13.240 355 HG LEU 46 HG LEU 46 19.491 18.297 -13.794 356 1HD1 LEU 46 1HD1 LEU 46 18.596 17.464 -11.027 357 2HD1 LEU 46 2HD1 LEU 46 20.162 18.153 -11.517 358 3HD1 LEU 46 3HD1 LEU 46 18.693 19.157 -11.568 359 1HD2 LEU 46 1HD2 LEU 46 18.297 15.627 -13.313 360 2HD2 LEU 46 2HD2 LEU 46 19.654 16.116 -14.354 361 3HD2 LEU 46 3HD2 LEU 46 19.903 15.918 -12.603 362 H ARG 47 HN ARG 47 16.415 20.544 -14.224 363 HA ARG 47 HA ARG 47 13.726 20.382 -14.526 364 1HB ARG 47 2HB ARG 47 15.515 22.847 -14.840 365 2HB ARG 47 3HB ARG 47 13.786 22.911 -14.560 366 1HG ARG 47 2HG ARG 47 14.701 21.187 -12.539 367 2HG ARG 47 3HG ARG 47 15.975 22.386 -12.650 368 1HD ARG 47 2HD ARG 47 13.326 23.653 -12.768 369 2HD ARG 47 3HD ARG 47 13.488 22.674 -11.324 370 HE ARG 47 HE ARG 47 15.163 24.131 -10.525 371 1HH1 ARG 47 1HH1 ARG 47 16.436 27.035 -11.980 372 2HH1 ARG 47 2HH1 ARG 47 16.350 26.083 -10.537 373 1HH2 ARG 47 1HH2 ARG 47 15.345 26.329 -13.904 374 2HH2 ARG 47 2HH2 ARG 47 14.445 24.849 -13.894 375 H GLU 48 HN GLU 48 16.146 21.846 -16.824 376 HA GLU 48 HA GLU 48 14.641 22.767 -18.758 377 1HB GLU 48 2HB GLU 48 17.180 22.502 -18.711 378 2HB GLU 48 3HB GLU 48 16.962 20.882 -19.341 379 1HG GLU 48 2HG GLU 48 15.746 21.822 -21.322 380 2HG GLU 48 3HG GLU 48 15.982 23.441 -20.695 381 H GLN 49 HN GLN 49 15.283 19.255 -18.202 382 HA GLN 49 HA GLN 49 12.972 18.742 -19.895 383 1HB GLN 49 2HB GLN 49 14.117 16.691 -20.760 384 2HB GLN 49 3HB GLN 49 14.919 18.172 -21.244 385 1HG GLN 49 2HG GLN 49 16.467 17.871 -19.214 386 2HG GLN 49 3HG GLN 49 15.758 16.284 -18.998 387 1HE2 GLN 49 1HE2 GLN 49 15.615 14.980 -21.112 388 2HE2 GLN 49 2HE2 GLN 49 17.051 14.920 -22.079 389 H ALA 50 HN ALA 50 12.613 19.047 -17.216 390 HA ALA 50 HA ALA 50 13.082 16.669 -15.742 391 1HB ALA 50 1HB ALA 50 12.861 18.492 -14.352 392 2HB ALA 50 2HB ALA 50 11.634 19.268 -15.383 393 3HB ALA 50 3HB ALA 50 11.178 17.914 -14.322 394 H GLY 51 HN GLY 51 9.788 18.008 -15.923 395 1HA GLY 51 1HA GLY 51 8.373 15.740 -15.820 396 2HA GLY 51 2HA GLY 51 7.858 17.139 -16.741 397 H GLY 52 HN GLY 52 10.096 17.015 -18.701 398 1HA GLY 52 1HA GLY 52 8.907 15.421 -20.659 399 2HA GLY 52 2HA GLY 52 10.516 16.112 -20.715 400 H ASP 53 HN ASP 53 11.702 14.380 -21.527 401 HA ASP 53 HA ASP 53 11.713 12.039 -19.792 402 1HB ASP 53 2HB ASP 53 12.074 10.615 -21.762 403 2HB ASP 53 3HB ASP 53 10.587 11.521 -21.951 404 H ALA 54 HN ALA 54 13.739 12.069 -18.801 405 HA ALA 54 HA ALA 54 16.002 12.998 -20.434 406 1HB ALA 54 1HB ALA 54 16.032 12.919 -17.423 407 2HB ALA 54 2HB ALA 54 16.913 13.991 -18.537 408 3HB ALA 54 3HB ALA 54 15.173 14.238 -18.252 409 H THR 55 HN THR 55 14.691 10.270 -20.291 410 HA THR 55 HA THR 55 16.182 8.546 -18.689 411 HB THR 55 HB THR 55 14.608 8.312 -21.284 412 HG1 THR 55 HG1 THR 55 13.664 8.602 -19.070 413 1HG2 THR 55 1HG2 THR 55 16.592 6.512 -20.873 414 2HG2 THR 55 2HG2 THR 55 15.409 5.867 -19.710 415 3HG2 THR 55 3HG2 THR 55 14.979 6.007 -21.431 416 H GLU 56 HN GLU 56 16.681 9.289 -22.209 417 HA GLU 56 HA GLU 56 19.082 7.902 -22.295 418 1HB GLU 56 2HB GLU 56 18.019 10.151 -24.061 419 2HB GLU 56 3HB GLU 56 19.425 9.182 -24.453 420 1HG GLU 56 2HG GLU 56 17.182 7.455 -23.720 421 2HG GLU 56 3HG GLU 56 16.703 8.560 -24.992 422 H ASN 57 HN ASN 57 18.299 11.385 -21.751 423 HA ASN 57 HA ASN 57 20.874 12.325 -21.820 424 1HB ASN 57 2HB ASN 57 18.254 13.215 -20.698 425 2HB ASN 57 3HB ASN 57 19.643 13.921 -19.896 426 1HD2 ASN 57 1HD2 ASN 57 18.338 13.210 -23.123 427 2HD2 ASN 57 2HD2 ASN 57 18.915 14.637 -23.918 428 H PHE 58 HN PHE 58 19.201 10.293 -19.520 429 HA PHE 58 HA PHE 58 20.997 10.977 -17.344 430 1HB PHE 58 2HB PHE 58 18.772 10.588 -16.585 431 2HB PHE 58 3HB PHE 58 18.452 9.407 -17.838 432 HD1 PHE 58 HD1 PHE 58 19.402 9.906 -14.429 433 HD2 PHE 58 HD2 PHE 58 19.522 7.104 -17.615 434 HE1 PHE 58 HE1 PHE 58 19.801 8.052 -12.784 435 HE2 PHE 58 HE2 PHE 58 19.922 5.251 -15.969 436 HZ PHE 58 HZ PHE 58 20.057 5.747 -13.574 437 H GLU 59 HN GLU 59 20.216 8.289 -19.608 438 HA GLU 59 HA GLU 59 22.089 6.559 -18.362 439 1HB GLU 59 2HB GLU 59 20.499 6.407 -20.953 440 2HB GLU 59 3HB GLU 59 21.615 5.147 -20.466 441 1HG GLU 59 2HG GLU 59 20.250 5.307 -18.154 442 2HG GLU 59 3HG GLU 59 19.005 5.967 -19.194 443 H ASP 60 HN ASP 60 22.016 8.778 -21.175 444 HA ASP 60 HA ASP 60 24.265 7.920 -22.454 445 1HB ASP 60 2HB ASP 60 22.563 9.774 -23.086 446 2HB ASP 60 3HB ASP 60 23.517 10.852 -22.087 447 H VAL 61 HN VAL 61 23.821 10.221 -19.693 448 HA VAL 61 HA VAL 61 26.558 10.933 -19.531 449 HB VAL 61 HB VAL 61 25.930 12.081 -17.551 450 1HG1 VAL 61 1HG1 VAL 61 23.556 13.016 -18.383 451 2HG1 VAL 61 2HG1 VAL 61 25.088 13.416 -19.196 452 3HG1 VAL 61 3HG1 VAL 61 24.038 12.138 -19.855 453 1HG2 VAL 61 1HG2 VAL 61 23.159 11.271 -17.256 454 2HG2 VAL 61 2HG2 VAL 61 24.255 9.880 -17.073 455 3HG2 VAL 61 3HG2 VAL 61 24.465 11.321 -16.047 456 H GLY 62 HN GLY 62 24.755 8.104 -18.695 457 1HA GLY 62 1HA GLY 62 25.309 6.213 -17.618 458 2HA GLY 62 2HA GLY 62 26.986 6.674 -17.835 459 H HIS 63 HN HIS 63 24.134 6.932 -15.682 460 HA HIS 63 HA HIS 63 25.491 8.373 -13.669 461 1HB HIS 63 2HB HIS 63 22.901 6.860 -13.853 462 2HB HIS 63 3HB HIS 63 23.486 7.391 -12.290 463 HD1 HIS 63 HD1 HIS 63 22.865 8.971 -15.738 464 HD2 HIS 63 HD2 HIS 63 22.651 9.907 -11.655 465 HE1 HIS 63 HE1 HIS 63 21.904 11.330 -15.596 466 H SER 64 HN SER 64 26.543 7.660 -11.795 467 HA SER 64 HA SER 64 27.557 4.999 -12.012 468 1HB SER 64 2HB SER 64 28.743 5.830 -9.783 469 2HB SER 64 3HB SER 64 29.263 6.423 -11.348 470 HG SER 64 HG SER 64 27.450 7.747 -9.515 471 H THR 65 HN THR 65 27.752 3.703 -9.805 472 HA THR 65 HA THR 65 25.241 2.887 -9.039 473 HB THR 65 HB THR 65 28.069 2.598 -8.073 474 HG1 THR 65 HG1 THR 65 27.164 1.091 -9.559 475 1HG2 THR 65 1HG2 THR 65 26.617 2.916 -5.950 476 2HG2 THR 65 2HG2 THR 65 25.718 1.474 -6.479 477 3HG2 THR 65 3HG2 THR 65 27.451 1.350 -6.094 478 H ASP 66 HN ASP 66 27.333 5.408 -7.555 479 HA ASP 66 HA ASP 66 26.074 5.827 -5.251 480 1HB ASP 66 2HB ASP 66 27.478 7.539 -7.230 481 2HB ASP 66 3HB ASP 66 26.409 8.437 -6.171 482 H ALA 67 HN ALA 67 25.041 6.834 -8.559 483 HA ALA 67 HA ALA 67 22.849 8.400 -7.721 484 1HB ALA 67 1HB ALA 67 24.044 8.502 -9.941 485 2HB ALA 67 2HB ALA 67 23.266 6.958 -10.367 486 3HB ALA 67 3HB ALA 67 22.272 8.404 -10.068 487 H ARG 68 HN ARG 68 23.209 4.971 -8.831 488 HA ARG 68 HA ARG 68 20.620 4.274 -8.906 489 1HB ARG 68 2HB ARG 68 23.145 2.801 -8.140 490 2HB ARG 68 3HB ARG 68 21.619 1.971 -7.915 491 1HG ARG 68 2HG ARG 68 21.592 3.251 -10.516 492 2HG ARG 68 3HG ARG 68 23.085 2.347 -10.359 493 1HD ARG 68 2HD ARG 68 21.661 0.356 -9.548 494 2HD ARG 68 3HD ARG 68 20.246 1.276 -10.020 495 HE ARG 68 HE ARG 68 22.368 0.284 -11.880 496 1HH1 ARG 68 1HH1 ARG 68 20.131 0.515 -14.548 497 2HH1 ARG 68 2HH1 ARG 68 21.709 0.003 -14.049 498 1HH2 ARG 68 1HH2 ARG 68 18.687 1.488 -13.013 499 2HH2 ARG 68 2HH2 ARG 68 19.188 1.702 -11.368 500 H GLU 69 HN GLU 69 22.559 5.128 -6.100 501 HA GLU 69 HA GLU 69 20.911 3.791 -4.224 502 1HB GLU 69 2HB GLU 69 23.423 4.629 -4.056 503 2HB GLU 69 3HB GLU 69 22.694 6.129 -3.517 504 1HG GLU 69 2HG GLU 69 23.147 4.810 -1.538 505 2HG GLU 69 3HG GLU 69 21.410 4.811 -1.767 506 H LEU 70 HN LEU 70 21.421 7.275 -5.141 507 HA LEU 70 HA LEU 70 19.300 8.197 -3.534 508 1HB LEU 70 2HB LEU 70 20.749 9.427 -5.880 509 2HB LEU 70 3HB LEU 70 19.576 10.276 -4.891 510 HG LEU 70 HG LEU 70 21.210 10.885 -3.523 511 1HD1 LEU 70 1HD1 LEU 70 20.514 8.915 -2.223 512 2HD1 LEU 70 2HD1 LEU 70 21.758 7.943 -3.045 513 3HD1 LEU 70 3HD1 LEU 70 22.237 9.299 -1.997 514 1HD2 LEU 70 1HD2 LEU 70 22.742 10.765 -5.383 515 2HD2 LEU 70 2HD2 LEU 70 23.567 10.217 -3.903 516 3HD2 LEU 70 3HD2 LEU 70 23.007 9.026 -5.103 517 H SER 71 HN SER 71 19.562 7.873 -7.150 518 HA SER 71 HA SER 71 17.198 8.532 -7.968 519 1HB SER 71 2HB SER 71 17.847 7.440 -9.837 520 2HB SER 71 3HB SER 71 19.201 6.812 -8.917 521 HG SER 71 HG SER 71 16.614 5.568 -9.292 522 H LYS 72 HN LYS 72 17.843 5.233 -6.564 523 HA LYS 72 HA LYS 72 15.198 4.382 -6.623 524 1HB LYS 72 2HB LYS 72 17.716 3.395 -5.775 525 2HB LYS 72 3HB LYS 72 16.638 3.239 -4.402 526 1HG LYS 72 2HG LYS 72 15.308 1.673 -5.444 527 2HG LYS 72 3HG LYS 72 15.421 2.459 -7.006 528 1HD LYS 72 2HD LYS 72 17.712 1.558 -7.327 529 2HD LYS 72 3HD LYS 72 17.672 0.830 -5.733 530 1HE LYS 72 2HE LYS 72 16.904 -1.029 -6.823 531 2HE LYS 72 3HE LYS 72 15.357 -0.206 -6.817 532 1HZ LYS 72 1HZ LYS 72 15.477 0.058 -8.991 533 2HZ LYS 72 2HZ LYS 72 16.993 0.665 -8.950 534 3HZ LYS 72 3HZ LYS 72 16.761 -0.950 -9.007 535 H THR 73 HN THR 73 17.111 5.898 -3.935 536 HA THR 73 HA THR 73 15.011 5.963 -2.102 537 HB THR 73 HB THR 73 17.727 7.092 -2.473 538 HG1 THR 73 HG1 THR 73 17.211 6.729 0.043 539 1HG2 THR 73 1HG2 THR 73 16.480 9.242 -2.078 540 2HG2 THR 73 2HG2 THR 73 15.704 8.506 -0.656 541 3HG2 THR 73 3HG2 THR 73 17.463 8.781 -0.668 542 H TYR 74 HN TYR 74 15.713 7.993 -4.912 543 HA TYR 74 HA TYR 74 13.644 9.872 -4.046 544 1HB TYR 74 2HB TYR 74 15.870 9.705 -6.146 545 2HB TYR 74 3HB TYR 74 14.612 10.912 -6.324 546 HD1 TYR 74 HD1 TYR 74 17.480 9.830 -4.270 547 HD2 TYR 74 HD2 TYR 74 14.516 12.855 -4.873 548 HE1 TYR 74 HE1 TYR 74 18.753 11.395 -2.723 549 HE2 TYR 74 HE2 TYR 74 15.799 14.410 -3.323 550 HH TYR 74 HH TYR 74 18.943 13.909 -2.467 551 H ILE 75 HN ILE 75 12.778 7.213 -4.721 552 HA ILE 75 HA ILE 75 11.495 7.733 -7.314 553 HB ILE 75 HB ILE 75 13.138 5.756 -6.996 554 1HG1 ILE 75 2HG1 ILE 75 10.401 5.183 -8.158 555 2HG1 ILE 75 3HG1 ILE 75 11.579 6.227 -8.929 556 1HG2 ILE 75 1HG2 ILE 75 11.886 5.075 -4.839 557 2HG2 ILE 75 2HG2 ILE 75 10.699 4.343 -5.944 558 3HG2 ILE 75 3HG2 ILE 75 12.395 3.804 -5.976 559 1HD1 ILE 75 1HD1 ILE 75 12.107 4.196 -9.938 560 2HD1 ILE 75 2HD1 ILE 75 13.210 4.142 -8.542 561 3HD1 ILE 75 3HD1 ILE 75 11.672 3.247 -8.496 562 H ILE 76 HN ILE 76 9.251 7.576 -7.454 563 HA ILE 76 HA ILE 76 7.899 7.035 -4.902 564 HB ILE 76 HB ILE 76 6.463 8.845 -5.193 565 1HG1 ILE 76 2HG1 ILE 76 6.213 8.391 -7.713 566 2HG1 ILE 76 3HG1 ILE 76 6.027 10.037 -7.140 567 1HG2 ILE 76 1HG2 ILE 76 9.296 9.615 -5.908 568 2HG2 ILE 76 2HG2 ILE 76 8.026 10.814 -5.565 569 3HG2 ILE 76 3HG2 ILE 76 8.503 9.640 -4.315 570 1HD1 ILE 76 1HD1 ILE 76 7.458 10.256 -9.018 571 2HD1 ILE 76 2HD1 ILE 76 8.578 10.299 -7.636 572 3HD1 ILE 76 3HD1 ILE 76 8.394 8.805 -8.586 573 H GLY 77 HN GLY 77 7.884 6.942 -8.487 574 1HA GLY 77 1HA GLY 77 6.612 4.467 -8.628 575 2HA GLY 77 2HA GLY 77 5.368 5.693 -8.776 576 H GLU 78 HN GLU 78 5.179 4.662 -11.008 577 HA GLU 78 HA GLU 78 7.183 5.853 -12.765 578 1HB GLU 78 2HB GLU 78 6.887 4.041 -14.302 579 2HB GLU 78 3HB GLU 78 7.047 3.306 -12.719 580 1HG GLU 78 2HG GLU 78 4.640 2.972 -12.536 581 2HG GLU 78 3HG GLU 78 4.335 3.952 -13.956 582 H LEU 79 HN LEU 79 6.221 6.314 -15.067 583 HA LEU 79 HA LEU 79 3.683 7.691 -14.615 584 1HB LEU 79 2HB LEU 79 4.456 9.339 -15.882 585 2HB LEU 79 3HB LEU 79 6.028 8.627 -15.574 586 HG LEU 79 HG LEU 79 5.972 9.057 -17.881 587 1HD1 LEU 79 1HD1 LEU 79 6.131 6.400 -16.932 588 2HD1 LEU 79 2HD1 LEU 79 5.264 6.341 -18.487 589 3HD1 LEU 79 3HD1 LEU 79 6.873 7.098 -18.392 590 1HD2 LEU 79 1HD2 LEU 79 3.864 9.529 -18.585 591 2HD2 LEU 79 2HD2 LEU 79 3.993 7.875 -19.227 592 3HD2 LEU 79 3HD2 LEU 79 3.135 8.169 -17.696 593 H HIS 80 HN HIS 80 1.867 7.339 -15.919 594 HA HIS 80 HA HIS 80 1.262 4.874 -16.704 595 1HB HIS 80 2HB HIS 80 0.007 7.266 -16.780 596 2HB HIS 80 3HB HIS 80 0.237 7.011 -18.498 597 HD1 HIS 80 HD1 HIS 80 -2.396 6.757 -18.703 598 HD2 HIS 80 HD2 HIS 80 -0.486 3.785 -16.442 599 HE1 HIS 80 HE1 HIS 80 -4.087 4.864 -18.437 600 HA PRO 81 HA PRO 81 4.014 4.234 -20.061 601 1HB PRO 81 2HB PRO 81 3.676 1.528 -20.246 602 2HB PRO 81 3HB PRO 81 4.835 2.278 -19.166 603 1HG PRO 81 2HG PRO 81 2.231 1.037 -18.519 604 2HG PRO 81 3HG PRO 81 3.571 1.400 -17.448 605 1HD PRO 81 2HD PRO 81 1.123 2.874 -17.693 606 2HD PRO 81 3HD PRO 81 2.509 3.300 -16.710 607 H ASP 82 HN ASP 82 0.767 4.285 -19.967 608 HA ASP 82 HA ASP 82 0.306 3.064 -22.481 609 1HB ASP 82 2HB ASP 82 -1.559 3.062 -21.015 610 2HB ASP 82 3HB ASP 82 -1.307 4.728 -20.533 611 H ASP 83 HN ASP 83 0.624 6.407 -21.127 612 HA ASP 83 HA ASP 83 0.303 7.512 -23.768 613 1HB ASP 83 2HB ASP 83 0.542 8.644 -20.964 614 2HB ASP 83 3HB ASP 83 0.788 9.697 -22.344 615 H ARG 84 HN ARG 84 2.748 6.314 -21.652 616 HA ARG 84 HA ARG 84 4.785 8.113 -22.041 617 1HB ARG 84 2HB ARG 84 4.767 6.175 -20.409 618 2HB ARG 84 3HB ARG 84 5.009 5.073 -21.751 619 1HG ARG 84 2HG ARG 84 6.982 7.218 -21.875 620 2HG ARG 84 3HG ARG 84 7.006 6.488 -20.283 621 1HD ARG 84 2HD ARG 84 8.427 5.000 -21.344 622 2HD ARG 84 3HD ARG 84 6.913 4.207 -21.730 623 HE ARG 84 HE ARG 84 7.754 6.255 -23.675 624 1HH1 ARG 84 1HH1 ARG 84 8.387 3.852 -26.125 625 2HH1 ARG 84 2HH1 ARG 84 8.209 5.544 -25.798 626 1HH2 ARG 84 1HH2 ARG 84 8.162 2.309 -24.407 627 2HH2 ARG 84 2HH2 ARG 84 7.817 2.848 -22.797 628 H SER 85 HN SER 85 3.557 5.412 -24.052 629 HA SER 85 HA SER 85 5.750 5.722 -25.886 630 1HB SER 85 2HB SER 85 4.711 3.474 -25.242 631 2HB SER 85 3HB SER 85 3.292 3.941 -26.158 632 HG SER 85 HG SER 85 5.506 4.368 -27.705 633 H LYS 86 HN LYS 86 3.326 7.696 -25.255 634 HA LYS 86 HA LYS 86 2.322 7.929 -27.990 635 1HB LYS 86 2HB LYS 86 1.228 8.427 -25.332 636 2HB LYS 86 3HB LYS 86 1.039 9.819 -26.380 637 1HG LYS 86 2HG LYS 86 0.447 7.288 -27.778 638 2HG LYS 86 3HG LYS 86 -0.573 7.520 -26.373 639 1HD LYS 86 2HD LYS 86 -1.440 9.598 -27.193 640 2HD LYS 86 3HD LYS 86 -0.149 9.776 -28.364 641 1HE LYS 86 2HE LYS 86 -1.680 8.932 -29.847 642 2HE LYS 86 3HE LYS 86 -1.208 7.378 -29.186 643 1HZ LYS 86 1HZ LYS 86 -3.428 7.326 -28.858 644 2HZ LYS 86 2HZ LYS 86 -3.007 8.008 -27.435 645 3HZ LYS 86 3HZ LYS 86 -3.588 8.936 -28.646 646 H ILE 87 HN ILE 87 5.129 8.565 -27.119 647 HA ILE 87 HA ILE 87 5.098 11.472 -27.428 648 HB ILE 87 HB ILE 87 7.010 9.482 -26.298 649 1HG1 ILE 87 2HG1 ILE 87 7.185 11.279 -24.551 650 2HG1 ILE 87 3HG1 ILE 87 5.969 12.191 -25.423 651 1HG2 ILE 87 1HG2 ILE 87 8.314 10.661 -28.024 652 2HG2 ILE 87 2HG2 ILE 87 7.856 12.217 -27.293 653 3HG2 ILE 87 3HG2 ILE 87 8.850 11.062 -26.374 654 1HD1 ILE 87 1HD1 ILE 87 4.288 10.915 -24.588 655 2HD1 ILE 87 2HD1 ILE 87 5.120 9.409 -25.044 656 3HD1 ILE 87 3HD1 ILE 87 5.497 10.200 -23.494 657 H ALA 88 HN ALA 88 6.876 8.564 -28.698 658 HA ALA 88 HA ALA 88 7.797 10.004 -30.965 659 1HB ALA 88 1HB ALA 88 9.234 8.282 -30.553 660 2HB ALA 88 2HB ALA 88 7.967 7.258 -29.837 661 3HB ALA 88 3HB ALA 88 8.122 7.374 -31.606 662 HHA HEM 95 HA HEM 95 27.064 12.845 -12.953 663 HHB HEM 95 HB HEM 95 22.920 11.016 -8.524 664 HHC HEM 95 HC HEM 95 18.131 12.738 -12.368 665 HHD HEM 95 HD HEM 95 22.328 14.606 -16.729 666 1HMA HEM 95 1HMA HEM 95 25.826 11.355 -7.550 667 2HMA HEM 95 2HMA HEM 95 26.388 9.859 -8.397 668 3HMA HEM 95 3HMA HEM 95 24.664 10.017 -7.940 669 1HAA HEM 95 1HAA HEM 95 27.539 10.024 -10.483 670 2HAA HEM 95 2HAA HEM 95 28.292 11.616 -9.894 671 1HBA HEM 95 1HBA HEM 95 28.178 11.196 -12.744 672 2HBA HEM 95 2HBA HEM 95 29.522 10.721 -11.647 673 1HMB HEM 95 1HMB HEM 95 20.179 11.680 -7.092 674 2HMB HEM 95 2HMB HEM 95 21.188 10.284 -7.660 675 3HMB HEM 95 3HMB HEM 95 19.414 10.181 -7.774 676 HAB HEM 95 HAB HEM 95 17.492 12.618 -9.604 677 1HBB HEM 95 HBB HEM 95 17.527 9.533 -9.651 678 2HBB HEM 95 HBB HEM 95 16.082 10.705 -9.403 679 1HMC HEM 95 1HMC HEM 95 17.056 14.415 -14.493 680 2HMC HEM 95 2HMC HEM 95 17.212 12.622 -14.271 681 3HMC HEM 95 3HMC HEM 95 17.309 13.327 -15.913 682 HAC HEM 95 HAC HEM 95 20.536 14.613 -17.634 683 1HBC HEM 95 HBC HEM 95 17.838 15.563 -16.466 684 2HBC HEM 95 HBC HEM 95 18.519 15.837 -18.195 685 1HMD HEM 95 1HMD HEM 95 24.777 16.220 -16.841 686 2HMD HEM 95 2HMD HEM 95 24.467 14.724 -17.819 687 3HMD HEM 95 3HMD HEM 95 26.154 15.178 -17.365 688 1HAD HEM 95 1HAD HEM 95 27.910 14.105 -16.156 689 2HAD HEM 95 2HAD HEM 95 27.935 13.309 -14.558 690 1HBD HEM 95 1HBD HEM 95 27.872 15.349 -13.378 691 2HBD HEM 95 2HBD HEM 95 26.932 16.191 -14.623 Start of MODEL 9 1 H VAL 4 HN VAL 4 2.378 -0.664 -7.933 2 HA VAL 4 HA VAL 4 3.846 1.613 -6.940 3 HB VAL 4 HB VAL 4 4.427 -0.152 -8.807 4 1HG1 VAL 4 1HG1 VAL 4 3.150 2.027 -10.485 5 2HG1 VAL 4 2HG1 VAL 4 3.911 0.518 -11.044 6 3HG1 VAL 4 3HG1 VAL 4 2.375 0.461 -10.146 7 1HG2 VAL 4 1HG2 VAL 4 5.270 2.482 -9.777 8 2HG2 VAL 4 2HG2 VAL 4 5.441 2.300 -8.015 9 3HG2 VAL 4 3HG2 VAL 4 6.234 1.142 -9.111 10 H LYS 5 HN LYS 5 3.624 3.733 -8.300 11 HA LYS 5 HA LYS 5 0.747 4.249 -8.606 12 1HB LYS 5 2HB LYS 5 2.958 5.945 -7.441 13 2HB LYS 5 3HB LYS 5 1.461 6.651 -8.014 14 1HG LYS 5 2HG LYS 5 1.717 4.484 -5.876 15 2HG LYS 5 3HG LYS 5 1.318 6.166 -5.593 16 1HD LYS 5 2HD LYS 5 -0.366 4.029 -6.935 17 2HD LYS 5 3HD LYS 5 -0.789 5.058 -5.580 18 1HE LYS 5 2HE LYS 5 -0.432 5.957 -8.479 19 2HE LYS 5 3HE LYS 5 -1.954 5.819 -7.622 20 1HZ LYS 5 1HZ LYS 5 -0.057 7.908 -7.542 21 2HZ LYS 5 2HZ LYS 5 -1.608 7.902 -7.033 22 3HZ LYS 5 3HZ LYS 5 -0.420 7.392 -6.036 23 H TYR 6 HN TYR 6 0.083 4.772 -10.618 24 HA TYR 6 HA TYR 6 2.172 5.415 -12.565 25 1HB TYR 6 2HB TYR 6 -0.795 4.595 -12.740 26 2HB TYR 6 3HB TYR 6 0.246 4.791 -14.135 27 HD1 TYR 6 HD1 TYR 6 2.676 3.415 -13.582 28 HD2 TYR 6 HD2 TYR 6 -1.286 2.367 -12.353 29 HE1 TYR 6 HE1 TYR 6 3.369 0.975 -13.399 30 HE2 TYR 6 HE2 TYR 6 -0.579 -0.069 -12.176 31 HH TYR 6 HH TYR 6 2.508 -1.039 -11.991 32 H TYR 7 HN TYR 7 2.484 7.528 -13.045 33 HA TYR 7 HA TYR 7 0.188 9.327 -12.701 34 1HB TYR 7 2HB TYR 7 3.121 10.071 -13.132 35 2HB TYR 7 3HB TYR 7 1.907 10.979 -12.252 36 HD1 TYR 7 HD1 TYR 7 4.742 8.952 -11.903 37 HD2 TYR 7 HD2 TYR 7 0.932 9.690 -10.101 38 HE1 TYR 7 HE1 TYR 7 5.577 7.962 -9.714 39 HE2 TYR 7 HE2 TYR 7 1.780 8.698 -7.919 40 HH TYR 7 HH TYR 7 4.729 6.965 -7.754 41 H THR 8 HN THR 8 -0.548 10.596 -14.395 42 HA THR 8 HA THR 8 0.136 9.733 -17.017 43 HB THR 8 HB THR 8 -1.481 11.693 -17.556 44 HG1 THR 8 HG1 THR 8 -2.137 11.606 -14.782 45 1HG2 THR 8 1HG2 THR 8 -2.279 9.295 -17.093 46 2HG2 THR 8 2HG2 THR 8 -2.486 9.778 -15.393 47 3HG2 THR 8 3HG2 THR 8 -3.450 10.565 -16.665 48 H LEU 9 HN LEU 9 0.906 11.103 -18.787 49 HA LEU 9 HA LEU 9 3.354 12.254 -18.149 50 1HB LEU 9 2HB LEU 9 3.606 12.591 -20.399 51 2HB LEU 9 3HB LEU 9 2.473 11.256 -20.340 52 HG LEU 9 HG LEU 9 1.788 14.161 -20.868 53 1HD1 LEU 9 1HD1 LEU 9 2.279 11.795 -22.618 54 2HD1 LEU 9 2HD1 LEU 9 0.993 12.935 -23.084 55 3HD1 LEU 9 3HD1 LEU 9 2.663 13.515 -22.871 56 1HD2 LEU 9 1HD2 LEU 9 0.058 12.815 -19.578 57 2HD2 LEU 9 2HD2 LEU 9 -0.479 13.559 -21.104 58 3HD2 LEU 9 3HD2 LEU 9 -0.111 11.818 -21.044 59 H GLU 10 HN GLU 10 0.153 13.456 -17.754 60 HA GLU 10 HA GLU 10 0.682 16.161 -18.241 61 1HB GLU 10 2HB GLU 10 -1.533 14.525 -17.355 62 2HB GLU 10 3HB GLU 10 -1.393 15.901 -16.281 63 1HG GLU 10 2HG GLU 10 -2.844 16.491 -18.171 64 2HG GLU 10 3HG GLU 10 -1.375 17.442 -18.250 65 H GLU 11 HN GLU 11 0.916 14.030 -15.358 66 HA GLU 11 HA GLU 11 1.222 15.961 -13.450 67 1HB GLU 11 2HB GLU 11 1.368 13.173 -13.574 68 2HB GLU 11 3HB GLU 11 2.981 13.624 -13.055 69 1HG GLU 11 2HG GLU 11 2.124 13.816 -10.958 70 2HG GLU 11 3HG GLU 11 1.350 15.289 -11.507 71 H ILE 12 HN ILE 12 4.000 14.022 -14.773 72 HA ILE 12 HA ILE 12 6.082 15.353 -13.905 73 HB ILE 12 HB ILE 12 6.800 15.094 -16.540 74 1HG1 ILE 12 2HG1 ILE 12 4.267 14.268 -16.713 75 2HG1 ILE 12 3HG1 ILE 12 5.558 13.580 -17.679 76 1HG2 ILE 12 1HG2 ILE 12 6.871 13.379 -14.108 77 2HG2 ILE 12 2HG2 ILE 12 7.282 12.618 -15.665 78 3HG2 ILE 12 3HG2 ILE 12 8.198 14.036 -15.097 79 1HD1 ILE 12 1HD1 ILE 12 5.132 12.374 -14.964 80 2HD1 ILE 12 2HD1 ILE 12 3.891 12.054 -16.199 81 3HD1 ILE 12 3HD1 ILE 12 5.583 11.590 -16.498 82 H GLN 13 HN GLN 13 4.276 16.454 -16.863 83 HA GLN 13 HA GLN 13 5.636 18.673 -17.412 84 1HB GLN 13 2HB GLN 13 2.613 18.289 -17.424 85 2HB GLN 13 3HB GLN 13 3.414 19.642 -18.197 86 1HG GLN 13 2HG GLN 13 4.545 16.971 -18.892 87 2HG GLN 13 3HG GLN 13 2.894 17.224 -19.424 88 1HE2 GLN 13 1HE2 GLN 13 5.362 16.987 -20.955 89 2HE2 GLN 13 2HE2 GLN 13 5.516 18.417 -21.919 90 H LYS 14 HN LYS 14 2.830 18.544 -15.094 91 HA LYS 14 HA LYS 14 2.953 21.157 -14.262 92 1HB LYS 14 2HB LYS 14 2.193 18.750 -12.582 93 2HB LYS 14 3HB LYS 14 1.704 20.411 -12.312 94 1HG LYS 14 2HG LYS 14 0.826 18.503 -14.483 95 2HG LYS 14 3HG LYS 14 -0.154 19.534 -13.459 96 1HD LYS 14 2HD LYS 14 0.702 21.551 -14.667 97 2HD LYS 14 3HD LYS 14 1.689 20.522 -15.688 98 1HE LYS 14 2HE LYS 14 -0.349 19.393 -16.560 99 2HE LYS 14 3HE LYS 14 -1.358 20.352 -15.496 100 1HZ LYS 14 1HZ LYS 14 -0.687 21.048 -17.973 101 2HZ LYS 14 2HZ LYS 14 -1.178 22.103 -16.829 102 3HZ LYS 14 3HZ LYS 14 0.415 21.896 -17.118 103 H HIS 15 HN HIS 15 4.789 18.281 -13.090 104 HA HIS 15 HA HIS 15 6.139 19.861 -11.124 105 1HB HIS 15 2HB HIS 15 7.083 17.151 -11.984 106 2HB HIS 15 3HB HIS 15 7.075 17.878 -10.389 107 HD1 HIS 15 HD1 HIS 15 4.282 18.462 -9.691 108 HD2 HIS 15 HD2 HIS 15 5.261 15.137 -12.054 109 HE1 HIS 15 HE1 HIS 15 2.324 16.838 -9.486 110 H LYS 16 HN LYS 16 6.594 21.410 -13.155 111 HA LYS 16 HA LYS 16 9.168 20.574 -14.293 112 1HB LYS 16 2HB LYS 16 6.829 22.006 -15.396 113 2HB LYS 16 3HB LYS 16 8.379 22.716 -15.797 114 1HG LYS 16 2HG LYS 16 9.005 20.119 -16.263 115 2HG LYS 16 3HG LYS 16 7.276 20.015 -16.532 116 1HD LYS 16 2HD LYS 16 7.615 22.144 -18.049 117 2HD LYS 16 3HD LYS 16 9.312 21.711 -18.016 118 1HE LYS 16 2HE LYS 16 8.027 19.268 -18.566 119 2HE LYS 16 3HE LYS 16 7.090 20.437 -19.476 120 1HZ LYS 16 1HZ LYS 16 9.551 19.421 -20.124 121 2HZ LYS 16 2HZ LYS 16 8.733 20.596 -20.910 122 3HZ LYS 16 3HZ LYS 16 9.818 20.989 -19.756 123 H ASP 17 HN ASP 17 8.300 21.870 -11.577 124 HA ASP 17 HA ASP 17 10.110 24.141 -11.860 125 1HB ASP 17 2HB ASP 17 7.465 24.258 -11.079 126 2HB ASP 17 3HB ASP 17 8.249 24.065 -9.524 127 H SER 18 HN SER 18 11.124 24.665 -9.537 128 HA SER 18 HA SER 18 12.545 22.451 -8.741 129 1HB SER 18 2HB SER 18 12.874 25.080 -8.384 130 2HB SER 18 3HB SER 18 12.112 24.755 -6.840 131 HG SER 18 HG SER 18 14.615 24.557 -7.169 132 H LYS 19 HN LYS 19 9.636 24.055 -7.310 133 HA LYS 19 HA LYS 19 9.425 22.742 -4.952 134 1HB LYS 19 2HB LYS 19 7.557 24.010 -6.853 135 2HB LYS 19 3HB LYS 19 6.812 22.850 -5.773 136 1HG LYS 19 2HG LYS 19 7.695 24.007 -3.805 137 2HG LYS 19 3HG LYS 19 8.674 25.065 -4.802 138 1HD LYS 19 2HD LYS 19 6.756 26.227 -5.659 139 2HD LYS 19 3HD LYS 19 5.652 24.970 -5.134 140 1HE LYS 19 2HE LYS 19 7.318 26.450 -3.076 141 2HE LYS 19 3HE LYS 19 5.876 27.206 -3.724 142 1HZ LYS 19 1HZ LYS 19 5.489 24.489 -2.945 143 2HZ LYS 19 2HZ LYS 19 5.911 25.463 -1.704 144 3HZ LYS 19 3HZ LYS 19 4.590 25.810 -2.601 145 H SER 20 HN SER 20 8.477 21.540 -8.223 146 HA SER 20 HA SER 20 8.628 18.876 -7.095 147 1HB SER 20 2HB SER 20 6.355 19.733 -8.936 148 2HB SER 20 3HB SER 20 6.555 18.169 -8.171 149 HG SER 20 HG SER 20 6.309 19.229 -6.081 150 H THR 21 HN THR 21 10.473 18.249 -8.223 151 HA THR 21 HA THR 21 10.434 18.688 -11.135 152 HB THR 21 HB THR 21 12.615 18.575 -9.021 153 HG1 THR 21 HG1 THR 21 12.858 20.643 -9.894 154 1HG2 THR 21 1HG2 THR 21 13.694 18.904 -11.682 155 2HG2 THR 21 2HG2 THR 21 14.119 17.665 -10.477 156 3HG2 THR 21 3HG2 THR 21 12.804 17.362 -11.638 157 H TRP 22 HN TRP 22 9.680 16.977 -12.212 158 HA TRP 22 HA TRP 22 10.476 14.337 -11.185 159 1HB TRP 22 2HB TRP 22 7.926 15.371 -12.315 160 2HB TRP 22 3HB TRP 22 8.397 13.741 -12.753 161 HD1 TRP 22 HD1 TRP 22 9.370 14.825 -9.231 162 HE1 TRP 22 HE1 TRP 22 7.915 13.614 -7.392 163 HE3 TRP 22 HE3 TRP 22 6.014 12.802 -12.469 164 HZ2 TRP 22 HZ2 TRP 22 5.576 11.981 -7.497 165 HZ3 TRP 22 HZ3 TRP 22 4.175 11.412 -11.519 166 HH2 TRP 22 HH2 TRP 22 3.925 10.990 -9.125 167 H VAL 23 HN VAL 23 10.854 12.697 -12.952 168 HA VAL 23 HA VAL 23 11.279 13.700 -15.598 169 HB VAL 23 HB VAL 23 13.266 14.587 -14.630 170 1HG1 VAL 23 1HG1 VAL 23 14.060 11.854 -13.607 171 2HG1 VAL 23 2HG1 VAL 23 14.777 13.439 -13.228 172 3HG1 VAL 23 3HG1 VAL 23 13.164 13.019 -12.603 173 1HG2 VAL 23 1HG2 VAL 23 14.844 12.493 -15.672 174 2HG2 VAL 23 2HG2 VAL 23 13.316 12.461 -16.585 175 3HG2 VAL 23 3HG2 VAL 23 14.280 13.956 -16.514 176 H ILE 24 HN ILE 24 10.626 12.066 -16.892 177 HA ILE 24 HA ILE 24 10.190 9.488 -15.808 178 HB ILE 24 HB ILE 24 10.080 10.518 -18.646 179 1HG1 ILE 24 2HG1 ILE 24 7.602 9.941 -17.136 180 2HG1 ILE 24 3HG1 ILE 24 8.524 11.310 -16.548 181 1HG2 ILE 24 1HG2 ILE 24 10.356 8.020 -18.391 182 2HG2 ILE 24 2HG2 ILE 24 8.787 8.013 -17.551 183 3HG2 ILE 24 3HG2 ILE 24 8.889 8.556 -19.243 184 1HD1 ILE 24 1HD1 ILE 24 8.497 11.435 -19.432 185 2HD1 ILE 24 2HD1 ILE 24 6.831 11.184 -18.859 186 3HD1 ILE 24 3HD1 ILE 24 7.775 12.573 -18.269 187 H LEU 25 HN LEU 25 11.711 7.982 -15.411 188 HA LEU 25 HA LEU 25 13.992 7.904 -17.261 189 1HB LEU 25 2HB LEU 25 13.909 8.199 -14.364 190 2HB LEU 25 3HB LEU 25 14.867 6.819 -14.862 191 HG LEU 25 HG LEU 25 16.355 8.174 -16.135 192 1HD1 LEU 25 1HD1 LEU 25 15.913 10.759 -16.093 193 2HD1 LEU 25 2HD1 LEU 25 15.141 9.725 -17.318 194 3HD1 LEU 25 3HD1 LEU 25 14.216 10.258 -15.894 195 1HD2 LEU 25 1HD2 LEU 25 15.764 9.670 -13.568 196 2HD2 LEU 25 2HD2 LEU 25 16.685 8.151 -13.682 197 3HD2 LEU 25 3HD2 LEU 25 17.306 9.628 -14.457 198 H HIS 26 HN HIS 26 13.911 6.107 -18.486 199 HA HIS 26 HA HIS 26 13.160 4.130 -19.186 200 1HB HIS 26 2HB HIS 26 14.066 2.240 -17.767 201 2HB HIS 26 3HB HIS 26 15.221 3.446 -18.298 202 HD1 HIS 26 HD1 HIS 26 16.415 4.850 -16.499 203 HD2 HIS 26 HD2 HIS 26 13.457 2.307 -14.958 204 HE1 HIS 26 HE1 HIS 26 16.709 4.866 -13.965 205 H HIS 27 HN HIS 27 10.888 5.201 -18.612 206 HA HIS 27 HA HIS 27 8.840 4.964 -17.850 207 1HB HIS 27 2HB HIS 27 7.906 2.755 -17.853 208 2HB HIS 27 3HB HIS 27 9.082 2.876 -19.147 209 HD1 HIS 27 HD1 HIS 27 11.167 1.359 -19.036 210 HD2 HIS 27 HD2 HIS 27 8.680 1.063 -15.670 211 HE1 HIS 27 HE1 HIS 27 11.985 -0.667 -17.718 212 H LYS 28 HN LYS 28 10.356 6.034 -15.910 213 HA LYS 28 HA LYS 28 9.016 5.239 -13.568 214 1HB LYS 28 2HB LYS 28 11.514 3.873 -14.110 215 2HB LYS 28 3HB LYS 28 11.654 4.848 -12.661 216 1HG LYS 28 2HG LYS 28 9.671 3.795 -11.677 217 2HG LYS 28 3HG LYS 28 9.317 2.951 -13.171 218 1HD LYS 28 2HD LYS 28 10.797 1.282 -12.702 219 2HD LYS 28 3HD LYS 28 12.063 2.414 -12.272 220 1HE LYS 28 2HE LYS 28 11.753 1.852 -10.096 221 2HE LYS 28 3HE LYS 28 10.179 2.617 -10.164 222 1HZ LYS 28 1HZ LYS 28 10.794 -0.118 -10.052 223 2HZ LYS 28 2HZ LYS 28 9.346 0.615 -9.876 224 3HZ LYS 28 3HZ LYS 28 9.867 0.184 -11.362 225 H VAL 29 HN VAL 29 8.455 7.353 -13.217 226 HA VAL 29 HA VAL 29 10.186 9.502 -13.725 227 HB VAL 29 HB VAL 29 8.504 10.838 -12.712 228 1HG1 VAL 29 1HG1 VAL 29 6.679 8.735 -13.732 229 2HG1 VAL 29 2HG1 VAL 29 6.874 10.431 -14.232 230 3HG1 VAL 29 3HG1 VAL 29 8.014 9.196 -14.816 231 1HG2 VAL 29 1HG2 VAL 29 6.854 8.596 -11.674 232 2HG2 VAL 29 2HG2 VAL 29 8.328 8.979 -10.755 233 3HG2 VAL 29 3HG2 VAL 29 7.101 10.238 -11.032 234 H TYR 30 HN TYR 30 11.520 10.736 -12.367 235 HA TYR 30 HA TYR 30 12.063 9.477 -9.763 236 1HB TYR 30 2HB TYR 30 13.705 10.680 -12.033 237 2HB TYR 30 3HB TYR 30 14.348 10.825 -10.410 238 HD1 TYR 30 HD1 TYR 30 12.429 7.849 -10.669 239 HD2 TYR 30 HD2 TYR 30 16.249 9.505 -11.652 240 HE1 TYR 30 HE1 TYR 30 13.406 5.509 -10.845 241 HE2 TYR 30 HE2 TYR 30 17.213 7.159 -11.826 242 HH TYR 30 HH TYR 30 16.861 5.043 -11.493 243 H ASP 31 HN ASP 31 11.135 10.731 -8.205 244 HA ASP 31 HA ASP 31 10.758 13.495 -8.643 245 1HB ASP 31 2HB ASP 31 9.200 12.156 -7.268 246 2HB ASP 31 3HB ASP 31 10.487 11.751 -6.151 247 H LEU 32 HN LEU 32 13.084 14.111 -9.010 248 HA LEU 32 HA LEU 32 14.744 13.958 -6.610 249 1HB LEU 32 2HB LEU 32 16.600 14.307 -8.000 250 2HB LEU 32 3HB LEU 32 15.592 13.115 -8.795 251 HG LEU 32 HG LEU 32 14.851 15.711 -9.764 252 1HD1 LEU 32 1HD1 LEU 32 17.629 15.361 -10.639 253 2HD1 LEU 32 2HD1 LEU 32 16.733 16.836 -10.203 254 3HD1 LEU 32 3HD1 LEU 32 17.465 15.828 -8.930 255 1HD2 LEU 32 1HD2 LEU 32 16.131 13.261 -10.989 256 2HD2 LEU 32 2HD2 LEU 32 14.427 13.772 -11.054 257 3HD2 LEU 32 3HD2 LEU 32 15.668 14.696 -11.934 258 H THR 33 HN THR 33 12.735 15.589 -6.022 259 HA THR 33 HA THR 33 13.177 18.266 -6.939 260 HB THR 33 HB THR 33 11.525 17.140 -4.616 261 HG1 THR 33 HG1 THR 33 11.255 16.388 -6.983 262 1HG2 THR 33 1HG2 THR 33 10.549 19.452 -6.198 263 2HG2 THR 33 2HG2 THR 33 10.558 19.219 -4.434 264 3HG2 THR 33 3HG2 THR 33 12.017 19.817 -5.260 265 H LYS 34 HN LYS 34 13.938 16.400 -3.947 266 HA LYS 34 HA LYS 34 15.131 18.657 -2.700 267 1HB LYS 34 2HB LYS 34 15.653 15.791 -1.935 268 2HB LYS 34 3HB LYS 34 15.581 17.211 -0.911 269 1HG LYS 34 2HG LYS 34 13.395 16.772 -0.512 270 2HG LYS 34 3HG LYS 34 13.048 17.095 -2.199 271 1HD LYS 34 2HD LYS 34 14.093 14.523 -2.323 272 2HD LYS 34 3HD LYS 34 13.267 14.493 -0.779 273 1HE LYS 34 2HE LYS 34 11.649 15.812 -2.864 274 2HE LYS 34 3HE LYS 34 12.077 14.172 -3.310 275 1HZ LYS 34 1HZ LYS 34 10.124 14.910 -1.578 276 2HZ LYS 34 2HZ LYS 34 10.691 13.395 -1.800 277 3HZ LYS 34 3HZ LYS 34 11.297 14.326 -0.603 278 H TYR 35 HN TYR 35 16.254 15.932 -4.737 279 HA TYR 35 HA TYR 35 19.012 16.761 -4.403 280 1HB TYR 35 2HB TYR 35 18.245 14.348 -4.528 281 2HB TYR 35 3HB TYR 35 17.513 14.660 -6.090 282 HD1 TYR 35 HD1 TYR 35 18.763 14.428 -8.081 283 HD2 TYR 35 HD2 TYR 35 20.796 14.577 -4.320 284 HE1 TYR 35 HE1 TYR 35 20.940 13.779 -9.223 285 HE2 TYR 35 HE2 TYR 35 22.966 13.928 -5.475 286 HH TYR 35 HH TYR 35 23.737 12.896 -7.402 287 H LEU 36 HN LEU 36 16.685 18.339 -5.865 288 HA LEU 36 HA LEU 36 17.485 18.372 -8.582 289 1HB LEU 36 2HB LEU 36 15.259 18.957 -8.017 290 2HB LEU 36 3HB LEU 36 15.783 20.172 -6.869 291 HG LEU 36 HG LEU 36 14.854 20.988 -9.091 292 1HD1 LEU 36 1HD1 LEU 36 16.863 22.005 -7.415 293 2HD1 LEU 36 2HD1 LEU 36 17.417 22.318 -9.078 294 3HD1 LEU 36 3HD1 LEU 36 15.824 22.907 -8.545 295 1HD2 LEU 36 1HD2 LEU 36 17.417 19.733 -10.037 296 2HD2 LEU 36 2HD2 LEU 36 15.782 19.646 -10.737 297 3HD2 LEU 36 3HD2 LEU 36 16.731 21.146 -10.873 298 H GLU 37 HN GLU 37 18.136 20.494 -5.721 299 HA GLU 37 HA GLU 37 20.011 21.974 -7.325 300 1HB GLU 37 2HB GLU 37 20.164 23.478 -5.401 301 2HB GLU 37 3HB GLU 37 18.477 23.157 -5.757 302 1HG GLU 37 2HG GLU 37 18.140 22.243 -3.706 303 2HG GLU 37 3HG GLU 37 19.483 21.136 -3.914 304 H GLU 38 HN GLU 38 20.000 19.105 -5.542 305 HA GLU 38 HA GLU 38 22.611 19.472 -4.411 306 1HB GLU 38 2HB GLU 38 20.599 18.082 -3.447 307 2HB GLU 38 3HB GLU 38 21.122 16.834 -4.561 308 1HG GLU 38 2HG GLU 38 23.330 18.048 -2.975 309 2HG GLU 38 3HG GLU 38 22.136 17.204 -2.009 310 H HIS 39 HN HIS 39 21.114 18.257 -7.347 311 HA HIS 39 HA HIS 39 22.888 16.366 -8.180 312 1HB HIS 39 2HB HIS 39 20.730 17.189 -9.261 313 2HB HIS 39 3HB HIS 39 21.682 18.468 -9.988 314 HD1 HIS 39 HD1 HIS 39 21.752 17.782 -12.410 315 HD2 HIS 39 HD2 HIS 39 22.743 14.634 -9.821 316 HE1 HIS 39 HE1 HIS 39 22.511 15.849 -13.893 317 HA PRO 40 HA PRO 40 26.575 18.664 -8.529 318 1HB PRO 40 2HB PRO 40 28.201 16.634 -9.367 319 2HB PRO 40 3HB PRO 40 27.828 16.929 -7.680 320 1HG PRO 40 2HG PRO 40 26.794 14.810 -9.462 321 2HG PRO 40 3HG PRO 40 26.777 14.876 -7.711 322 1HD PRO 40 2HD PRO 40 24.563 15.365 -9.468 323 2HD PRO 40 3HD PRO 40 24.577 15.544 -7.725 324 H GLY 41 HN GLY 41 25.180 16.822 -11.097 325 1HA GLY 41 1HA GLY 41 26.857 17.733 -13.169 326 2HA GLY 41 2HA GLY 41 25.235 17.092 -13.329 327 H GLY 42 HN GLY 42 23.405 18.687 -12.546 328 1HA GLY 42 1HA GLY 42 23.922 21.472 -12.588 329 2HA GLY 42 2HA GLY 42 23.426 20.931 -14.178 330 H GLU 43 HN GLU 43 22.045 22.632 -12.039 331 HA GLU 43 HA GLU 43 19.864 20.963 -11.242 332 1HB GLU 43 2HB GLU 43 18.995 23.057 -10.193 333 2HB GLU 43 3HB GLU 43 20.638 22.695 -9.704 334 1HG GLU 43 2HG GLU 43 20.901 24.262 -12.060 335 2HG GLU 43 3HG GLU 43 19.614 25.027 -11.148 336 H GLU 44 HN GLU 44 20.772 22.589 -14.078 337 HA GLU 44 HA GLU 44 18.050 23.264 -14.773 338 1HB GLU 44 2HB GLU 44 20.073 24.786 -15.247 339 2HB GLU 44 3HB GLU 44 20.543 23.632 -16.480 340 1HG GLU 44 2HG GLU 44 19.206 24.857 -17.868 341 2HG GLU 44 3HG GLU 44 17.881 23.997 -17.111 342 H VAL 45 HN VAL 45 20.836 21.314 -16.060 343 HA VAL 45 HA VAL 45 19.735 20.151 -18.202 344 HB VAL 45 HB VAL 45 21.877 19.504 -17.845 345 1HG1 VAL 45 1HG1 VAL 45 22.376 18.389 -15.411 346 2HG1 VAL 45 2HG1 VAL 45 22.603 20.113 -15.792 347 3HG1 VAL 45 3HG1 VAL 45 21.112 19.569 -14.985 348 1HG2 VAL 45 1HG2 VAL 45 20.827 17.070 -16.446 349 2HG2 VAL 45 2HG2 VAL 45 20.198 17.465 -18.064 350 3HG2 VAL 45 3HG2 VAL 45 21.943 17.205 -17.827 351 H LEU 46 HN LEU 46 18.796 19.681 -14.821 352 HA LEU 46 HA LEU 46 17.207 17.359 -15.446 353 1HB LEU 46 2HB LEU 46 17.052 18.903 -12.886 354 2HB LEU 46 3HB LEU 46 16.820 17.189 -13.169 355 HG LEU 46 HG LEU 46 19.535 18.362 -13.650 356 1HD1 LEU 46 1HD1 LEU 46 18.559 17.599 -10.888 357 2HD1 LEU 46 2HD1 LEU 46 20.169 18.204 -11.345 358 3HD1 LEU 46 3HD1 LEU 46 18.749 19.273 -11.462 359 1HD2 LEU 46 1HD2 LEU 46 18.325 15.715 -13.291 360 2HD2 LEU 46 2HD2 LEU 46 19.832 16.195 -14.107 361 3HD2 LEU 46 3HD2 LEU 46 19.812 15.962 -12.342 362 H ARG 47 HN ARG 47 16.471 20.651 -14.082 363 HA ARG 47 HA ARG 47 13.782 20.471 -14.435 364 1HB ARG 47 2HB ARG 47 15.633 22.902 -14.540 365 2HB ARG 47 3HB ARG 47 13.887 23.047 -14.499 366 1HG ARG 47 2HG ARG 47 14.151 21.393 -12.389 367 2HG ARG 47 3HG ARG 47 15.764 22.076 -12.347 368 1HD ARG 47 2HD ARG 47 13.611 24.098 -12.712 369 2HD ARG 47 3HD ARG 47 13.518 23.232 -11.192 370 HE ARG 47 HE ARG 47 16.175 23.870 -11.277 371 1HH1 ARG 47 1HH1 ARG 47 16.225 27.285 -10.556 372 2HH1 ARG 47 2HH1 ARG 47 17.140 25.813 -10.560 373 1HH2 ARG 47 1HH2 ARG 47 14.020 27.282 -11.280 374 2HH2 ARG 47 2HH2 ARG 47 13.289 25.809 -11.823 375 H GLU 48 HN GLU 48 16.236 22.030 -16.631 376 HA GLU 48 HA GLU 48 14.789 23.005 -18.569 377 1HB GLU 48 2HB GLU 48 17.239 22.901 -18.646 378 2HB GLU 48 3HB GLU 48 17.199 21.171 -18.924 379 1HG GLU 48 2HG GLU 48 16.673 21.401 -21.152 380 2HG GLU 48 3HG GLU 48 15.581 22.742 -20.865 381 H GLN 49 HN GLN 49 15.273 19.485 -18.004 382 HA GLN 49 HA GLN 49 13.011 19.051 -19.770 383 1HB GLN 49 2HB GLN 49 14.173 16.950 -20.618 384 2HB GLN 49 3HB GLN 49 14.859 18.461 -21.182 385 1HG GLN 49 2HG GLN 49 16.233 17.980 -18.775 386 2HG GLN 49 3HG GLN 49 16.067 16.381 -19.475 387 1HE2 GLN 49 1HE2 GLN 49 18.022 15.964 -20.236 388 2HE2 GLN 49 2HE2 GLN 49 18.895 16.906 -21.398 389 H ALA 50 HN ALA 50 12.730 19.282 -17.043 390 HA ALA 50 HA ALA 50 13.146 16.864 -15.650 391 1HB ALA 50 1HB ALA 50 12.915 18.689 -14.246 392 2HB ALA 50 2HB ALA 50 11.639 19.430 -15.240 393 3HB ALA 50 3HB ALA 50 11.257 18.044 -14.189 394 H GLY 51 HN GLY 51 9.846 18.178 -15.796 395 1HA GLY 51 1HA GLY 51 8.459 15.885 -15.784 396 2HA GLY 51 2HA GLY 51 7.921 17.321 -16.632 397 H GLY 52 HN GLY 52 10.239 17.258 -18.566 398 1HA GLY 52 1HA GLY 52 9.035 15.809 -20.629 399 2HA GLY 52 2HA GLY 52 10.663 16.457 -20.620 400 H ASP 53 HN ASP 53 11.875 14.765 -21.447 401 HA ASP 53 HA ASP 53 11.807 12.346 -19.834 402 1HB ASP 53 2HB ASP 53 10.643 11.787 -21.898 403 2HB ASP 53 3HB ASP 53 11.861 12.587 -22.872 404 H ALA 54 HN ALA 54 13.851 12.311 -18.880 405 HA ALA 54 HA ALA 54 16.105 13.210 -20.541 406 1HB ALA 54 1HB ALA 54 16.175 13.092 -17.529 407 2HB ALA 54 2HB ALA 54 17.084 14.143 -18.643 408 3HB ALA 54 3HB ALA 54 15.358 14.452 -18.338 409 H THR 55 HN THR 55 14.664 10.501 -20.275 410 HA THR 55 HA THR 55 16.109 8.714 -18.766 411 HB THR 55 HB THR 55 14.605 8.581 -21.409 412 HG1 THR 55 HG1 THR 55 13.204 8.577 -19.663 413 1HG2 THR 55 1HG2 THR 55 16.531 6.722 -20.996 414 2HG2 THR 55 2HG2 THR 55 15.307 6.081 -19.873 415 3HG2 THR 55 3HG2 THR 55 14.919 6.269 -21.600 416 H GLU 56 HN GLU 56 16.743 9.573 -22.238 417 HA GLU 56 HA GLU 56 19.149 8.133 -22.223 418 1HB GLU 56 2HB GLU 56 18.147 10.302 -24.120 419 2HB GLU 56 3HB GLU 56 19.525 9.266 -24.433 420 1HG GLU 56 2HG GLU 56 17.634 7.372 -23.816 421 2HG GLU 56 3HG GLU 56 16.605 8.617 -24.495 422 H ASN 57 HN ASN 57 18.275 11.597 -21.770 423 HA ASN 57 HA ASN 57 20.864 12.566 -21.826 424 1HB ASN 57 2HB ASN 57 18.189 13.503 -20.866 425 2HB ASN 57 3HB ASN 57 19.552 14.280 -20.084 426 1HD2 ASN 57 1HD2 ASN 57 17.486 14.378 -22.649 427 2HD2 ASN 57 2HD2 ASN 57 18.370 15.378 -23.754 428 H PHE 58 HN PHE 58 19.265 10.480 -19.616 429 HA PHE 58 HA PHE 58 20.855 11.372 -17.339 430 1HB PHE 58 2HB PHE 58 18.415 10.926 -17.042 431 2HB PHE 58 3HB PHE 58 18.582 9.349 -17.789 432 HD1 PHE 58 HD1 PHE 58 18.748 7.503 -16.415 433 HD2 PHE 58 HD2 PHE 58 19.937 11.283 -14.895 434 HE1 PHE 58 HE1 PHE 58 19.133 6.475 -14.158 435 HE2 PHE 58 HE2 PHE 58 20.321 10.255 -12.638 436 HZ PHE 58 HZ PHE 58 19.915 7.863 -12.296 437 H GLU 59 HN GLU 59 20.111 8.406 -19.294 438 HA GLU 59 HA GLU 59 22.134 6.938 -17.965 439 1HB GLU 59 2HB GLU 59 21.592 5.173 -19.631 440 2HB GLU 59 3HB GLU 59 20.152 5.810 -18.863 441 1HG GLU 59 2HG GLU 59 19.366 6.764 -20.807 442 2HG GLU 59 3HG GLU 59 20.961 7.264 -21.332 443 H ASP 60 HN ASP 60 21.925 9.035 -20.798 444 HA ASP 60 HA ASP 60 24.041 8.075 -22.248 445 1HB ASP 60 2HB ASP 60 22.570 9.783 -23.149 446 2HB ASP 60 3HB ASP 60 22.950 10.891 -21.844 447 H VAL 61 HN VAL 61 23.863 10.512 -19.565 448 HA VAL 61 HA VAL 61 26.602 11.160 -19.604 449 HB VAL 61 HB VAL 61 26.149 12.306 -17.566 450 1HG1 VAL 61 1HG1 VAL 61 23.692 13.232 -18.258 451 2HG1 VAL 61 2HG1 VAL 61 25.201 13.700 -19.078 452 3HG1 VAL 61 3HG1 VAL 61 24.171 12.425 -19.771 453 1HG2 VAL 61 1HG2 VAL 61 23.379 11.475 -17.129 454 2HG2 VAL 61 2HG2 VAL 61 24.535 10.138 -16.926 455 3HG2 VAL 61 3HG2 VAL 61 24.724 11.631 -15.974 456 H GLY 62 HN GLY 62 24.841 8.360 -18.560 457 1HA GLY 62 1HA GLY 62 25.541 6.435 -17.627 458 2HA GLY 62 2HA GLY 62 27.194 6.982 -17.825 459 H HIS 63 HN HIS 63 24.318 7.083 -15.684 460 HA HIS 63 HA HIS 63 25.662 8.491 -13.622 461 1HB HIS 63 2HB HIS 63 23.051 7.016 -13.869 462 2HB HIS 63 3HB HIS 63 23.625 7.523 -12.292 463 HD1 HIS 63 HD1 HIS 63 22.985 9.116 -15.726 464 HD2 HIS 63 HD2 HIS 63 22.892 10.074 -11.644 465 HE1 HIS 63 HE1 HIS 63 22.070 11.492 -15.570 466 H SER 64 HN SER 64 26.671 7.710 -11.749 467 HA SER 64 HA SER 64 27.629 5.029 -12.019 468 1HB SER 64 2HB SER 64 28.370 7.470 -10.491 469 2HB SER 64 3HB SER 64 28.665 5.969 -9.637 470 HG SER 64 HG SER 64 29.563 5.495 -12.086 471 H THR 65 HN THR 65 27.795 3.710 -9.814 472 HA THR 65 HA THR 65 25.273 2.916 -9.078 473 HB THR 65 HB THR 65 28.084 2.613 -8.062 474 HG1 THR 65 HG1 THR 65 27.546 0.661 -8.974 475 1HG2 THR 65 1HG2 THR 65 26.594 2.926 -5.966 476 2HG2 THR 65 2HG2 THR 65 25.695 1.493 -6.521 477 3HG2 THR 65 3HG2 THR 65 27.420 1.356 -6.102 478 H ASP 66 HN ASP 66 27.392 5.358 -7.477 479 HA ASP 66 HA ASP 66 26.093 5.803 -5.224 480 1HB ASP 66 2HB ASP 66 27.947 7.183 -6.703 481 2HB ASP 66 3HB ASP 66 26.591 8.286 -6.821 482 H ALA 67 HN ALA 67 25.072 6.748 -8.543 483 HA ALA 67 HA ALA 67 22.856 8.314 -7.683 484 1HB ALA 67 1HB ALA 67 24.141 8.511 -9.869 485 2HB ALA 67 2HB ALA 67 23.325 7.018 -10.392 486 3HB ALA 67 3HB ALA 67 22.369 8.474 -10.029 487 H ARG 68 HN ARG 68 23.340 4.938 -8.886 488 HA ARG 68 HA ARG 68 20.777 4.184 -9.126 489 1HB ARG 68 2HB ARG 68 23.325 2.793 -8.362 490 2HB ARG 68 3HB ARG 68 21.850 1.904 -8.036 491 1HG ARG 68 2HG ARG 68 21.398 2.906 -10.608 492 2HG ARG 68 3HG ARG 68 23.115 2.560 -10.631 493 1HD ARG 68 2HD ARG 68 22.798 0.280 -10.489 494 2HD ARG 68 3HD ARG 68 21.461 0.429 -9.366 495 HE ARG 68 HE ARG 68 20.797 1.371 -12.057 496 1HH1 ARG 68 1HH1 ARG 68 18.841 -1.431 -12.765 497 2HH1 ARG 68 2HH1 ARG 68 19.268 0.173 -13.261 498 1HH2 ARG 68 1HH2 ARG 68 19.819 -2.362 -10.878 499 2HH2 ARG 68 2HH2 ARG 68 20.977 -1.453 -9.965 500 H GLU 69 HN GLU 69 22.552 4.975 -6.185 501 HA GLU 69 HA GLU 69 20.770 3.587 -4.462 502 1HB GLU 69 2HB GLU 69 23.287 5.017 -4.249 503 2HB GLU 69 3HB GLU 69 22.186 5.605 -3.020 504 1HG GLU 69 2HG GLU 69 22.121 2.659 -3.304 505 2HG GLU 69 3HG GLU 69 23.705 3.264 -2.862 506 H LEU 70 HN LEU 70 21.410 7.070 -5.282 507 HA LEU 70 HA LEU 70 19.296 8.050 -3.712 508 1HB LEU 70 2HB LEU 70 20.877 9.187 -6.013 509 2HB LEU 70 3HB LEU 70 19.619 10.091 -5.195 510 HG LEU 70 HG LEU 70 21.030 10.713 -3.601 511 1HD1 LEU 70 1HD1 LEU 70 20.482 8.713 -2.356 512 2HD1 LEU 70 2HD1 LEU 70 21.724 7.787 -3.233 513 3HD1 LEU 70 3HD1 LEU 70 22.205 9.106 -2.138 514 1HD2 LEU 70 1HD2 LEU 70 22.620 10.606 -5.554 515 2HD2 LEU 70 2HD2 LEU 70 23.376 10.553 -3.943 516 3HD2 LEU 70 3HD2 LEU 70 23.207 9.059 -4.896 517 H SER 71 HN SER 71 19.559 7.744 -7.330 518 HA SER 71 HA SER 71 17.197 8.439 -8.136 519 1HB SER 71 2HB SER 71 18.712 5.910 -8.878 520 2HB SER 71 3HB SER 71 17.259 6.384 -9.734 521 HG SER 71 HG SER 71 19.392 8.279 -9.377 522 H LYS 72 HN LYS 72 17.827 5.135 -6.740 523 HA LYS 72 HA LYS 72 15.171 4.298 -6.824 524 1HB LYS 72 2HB LYS 72 17.654 3.234 -6.091 525 2HB LYS 72 3HB LYS 72 16.701 3.156 -4.624 526 1HG LYS 72 2HG LYS 72 14.935 2.357 -6.708 527 2HG LYS 72 3HG LYS 72 16.456 1.564 -7.064 528 1HD LYS 72 2HD LYS 72 16.451 0.942 -4.494 529 2HD LYS 72 3HD LYS 72 14.741 1.321 -4.573 530 1HE LYS 72 2HE LYS 72 15.438 -0.345 -6.849 531 2HE LYS 72 3HE LYS 72 16.045 -1.100 -5.390 532 1HZ LYS 72 1HZ LYS 72 13.914 -1.097 -4.466 533 2HZ LYS 72 2HZ LYS 72 13.305 -0.076 -5.586 534 3HZ LYS 72 3HZ LYS 72 13.699 -1.606 -6.003 535 H THR 73 HN THR 73 17.108 5.731 -4.107 536 HA THR 73 HA THR 73 15.027 5.790 -2.263 537 HB THR 73 HB THR 73 17.738 6.923 -2.646 538 HG1 THR 73 HG1 THR 73 16.079 6.258 -0.321 539 1HG2 THR 73 1HG2 THR 73 16.482 9.067 -2.216 540 2HG2 THR 73 2HG2 THR 73 15.742 8.315 -0.782 541 3HG2 THR 73 3HG2 THR 73 17.498 8.600 -0.831 542 H TYR 74 HN TYR 74 15.706 7.864 -5.049 543 HA TYR 74 HA TYR 74 13.633 9.720 -4.141 544 1HB TYR 74 2HB TYR 74 15.855 9.603 -6.248 545 2HB TYR 74 3HB TYR 74 14.592 10.808 -6.399 546 HD1 TYR 74 HD1 TYR 74 17.460 9.690 -4.360 547 HD2 TYR 74 HD2 TYR 74 14.501 12.729 -4.924 548 HE1 TYR 74 HE1 TYR 74 18.730 11.230 -2.784 549 HE2 TYR 74 HE2 TYR 74 15.781 14.258 -3.347 550 HH TYR 74 HH TYR 74 17.668 13.483 -1.226 551 H ILE 75 HN ILE 75 12.825 7.039 -4.898 552 HA ILE 75 HA ILE 75 11.522 7.612 -7.467 553 HB ILE 75 HB ILE 75 13.173 5.639 -7.182 554 1HG1 ILE 75 2HG1 ILE 75 10.445 5.038 -8.349 555 2HG1 ILE 75 3HG1 ILE 75 11.581 6.143 -9.098 556 1HG2 ILE 75 1HG2 ILE 75 11.871 4.933 -5.036 557 2HG2 ILE 75 2HG2 ILE 75 10.758 4.158 -6.188 558 3HG2 ILE 75 3HG2 ILE 75 12.474 3.690 -6.159 559 1HD1 ILE 75 1HD1 ILE 75 12.003 4.045 -10.146 560 2HD1 ILE 75 2HD1 ILE 75 13.312 4.213 -8.952 561 3HD1 ILE 75 3HD1 ILE 75 11.918 3.163 -8.602 562 H ILE 76 HN ILE 76 9.277 7.428 -7.620 563 HA ILE 76 HA ILE 76 7.923 6.849 -5.080 564 HB ILE 76 HB ILE 76 6.467 8.649 -5.358 565 1HG1 ILE 76 2HG1 ILE 76 6.251 8.248 -7.886 566 2HG1 ILE 76 3HG1 ILE 76 6.063 9.885 -7.289 567 1HG2 ILE 76 1HG2 ILE 76 9.313 9.431 -5.992 568 2HG2 ILE 76 2HG2 ILE 76 8.037 10.634 -5.692 569 3HG2 ILE 76 3HG2 ILE 76 8.467 9.459 -4.426 570 1HD1 ILE 76 1HD1 ILE 76 7.525 10.172 -9.115 571 2HD1 ILE 76 2HD1 ILE 76 8.650 10.101 -7.736 572 3HD1 ILE 76 3HD1 ILE 76 8.411 8.668 -8.765 573 H GLY 77 HN GLY 77 7.914 6.812 -8.665 574 1HA GLY 77 1HA GLY 77 6.609 4.333 -8.806 575 2HA GLY 77 2HA GLY 77 5.412 5.593 -9.024 576 H GLU 78 HN GLU 78 5.135 4.815 -11.255 577 HA GLU 78 HA GLU 78 7.288 5.822 -12.946 578 1HB GLU 78 2HB GLU 78 6.668 4.026 -14.599 579 2HB GLU 78 3HB GLU 78 7.345 3.405 -13.106 580 1HG GLU 78 2HG GLU 78 5.459 2.222 -12.673 581 2HG GLU 78 3HG GLU 78 4.471 3.664 -12.790 582 H LEU 79 HN LEU 79 6.502 6.500 -15.178 583 HA LEU 79 HA LEU 79 4.057 7.988 -14.840 584 1HB LEU 79 2HB LEU 79 4.883 9.387 -16.371 585 2HB LEU 79 3HB LEU 79 6.400 8.622 -15.941 586 HG LEU 79 HG LEU 79 6.417 8.705 -18.276 587 1HD1 LEU 79 1HD1 LEU 79 6.222 6.173 -16.985 588 2HD1 LEU 79 2HD1 LEU 79 5.470 6.037 -18.594 589 3HD1 LEU 79 3HD1 LEU 79 7.145 6.620 -18.441 590 1HD2 LEU 79 1HD2 LEU 79 4.381 9.293 -19.090 591 2HD2 LEU 79 2HD2 LEU 79 4.342 7.562 -19.505 592 3HD2 LEU 79 3HD2 LEU 79 3.502 8.148 -18.049 593 H HIS 80 HN HIS 80 2.165 7.775 -16.101 594 HA HIS 80 HA HIS 80 1.185 5.357 -16.556 595 1HB HIS 80 2HB HIS 80 0.197 7.777 -16.858 596 2HB HIS 80 3HB HIS 80 0.543 7.504 -18.555 597 HD1 HIS 80 HD1 HIS 80 -0.809 4.928 -16.070 598 HD2 HIS 80 HD2 HIS 80 -1.979 7.001 -19.524 599 HE1 HIS 80 HE1 HIS 80 -3.062 3.950 -16.763 600 HA PRO 81 HA PRO 81 3.680 3.794 -19.791 601 1HB PRO 81 2HB PRO 81 2.751 1.224 -19.725 602 2HB PRO 81 3HB PRO 81 4.038 1.805 -18.686 603 1HG PRO 81 2HG PRO 81 1.217 1.241 -18.005 604 2HG PRO 81 3HG PRO 81 2.594 1.405 -16.933 605 1HD PRO 81 2HD PRO 81 0.537 3.350 -17.396 606 2HD PRO 81 3HD PRO 81 1.974 3.558 -16.414 607 H ASP 82 HN ASP 82 0.344 4.158 -19.691 608 HA ASP 82 HA ASP 82 -0.099 3.046 -22.261 609 1HB ASP 82 2HB ASP 82 -1.908 3.116 -20.606 610 2HB ASP 82 3HB ASP 82 -1.760 4.855 -20.450 611 H ASP 83 HN ASP 83 0.806 6.159 -20.821 612 HA ASP 83 HA ASP 83 0.173 7.588 -23.234 613 1HB ASP 83 2HB ASP 83 0.503 9.537 -21.984 614 2HB ASP 83 3HB ASP 83 -0.016 8.421 -20.737 615 H ARG 84 HN ARG 84 2.892 6.155 -21.432 616 HA ARG 84 HA ARG 84 4.961 7.550 -22.577 617 1HB ARG 84 2HB ARG 84 4.694 5.458 -20.754 618 2HB ARG 84 3HB ARG 84 5.485 4.658 -22.096 619 1HG ARG 84 2HG ARG 84 6.504 7.316 -21.017 620 2HG ARG 84 3HG ARG 84 6.993 5.794 -20.299 621 1HD ARG 84 2HD ARG 84 7.301 6.419 -23.274 622 2HD ARG 84 3HD ARG 84 8.571 6.688 -22.097 623 HE ARG 84 HE ARG 84 7.922 4.065 -21.623 624 1HH1 ARG 84 1HH1 ARG 84 9.395 2.387 -24.305 625 2HH1 ARG 84 2HH1 ARG 84 8.794 2.241 -22.687 626 1HH2 ARG 84 1HH2 ARG 84 9.313 4.437 -25.391 627 2HH2 ARG 84 2HH2 ARG 84 8.652 5.819 -24.584 628 H SER 85 HN SER 85 2.865 5.002 -23.835 629 HA SER 85 HA SER 85 4.661 4.642 -26.090 630 1HB SER 85 2HB SER 85 2.180 3.047 -25.312 631 2HB SER 85 3HB SER 85 3.276 2.655 -26.622 632 HG SER 85 HG SER 85 4.963 2.282 -25.102 633 H LYS 86 HN LYS 86 3.414 7.148 -25.968 634 HA LYS 86 HA LYS 86 1.102 6.915 -27.743 635 1HB LYS 86 2HB LYS 86 0.997 8.263 -25.597 636 2HB LYS 86 3HB LYS 86 2.128 9.386 -26.325 637 1HG LYS 86 2HG LYS 86 0.107 10.373 -26.945 638 2HG LYS 86 3HG LYS 86 0.410 9.375 -28.353 639 1HD LYS 86 2HD LYS 86 -1.874 8.957 -27.751 640 2HD LYS 86 3HD LYS 86 -0.985 7.538 -27.233 641 1HE LYS 86 2HE LYS 86 -0.797 9.168 -24.988 642 2HE LYS 86 3HE LYS 86 -2.385 9.589 -25.599 643 1HZ LYS 86 1HZ LYS 86 -2.902 7.765 -24.421 644 2HZ LYS 86 2HZ LYS 86 -2.519 6.992 -25.808 645 3HZ LYS 86 3HZ LYS 86 -1.438 7.058 -24.586 646 H ILE 87 HN ILE 87 3.705 6.191 -28.742 647 HA ILE 87 HA ILE 87 4.463 8.519 -30.328 648 HB ILE 87 HB ILE 87 5.776 5.997 -29.475 649 1HG1 ILE 87 2HG1 ILE 87 7.578 8.148 -29.842 650 2HG1 ILE 87 3HG1 ILE 87 6.123 8.845 -29.158 651 1HG2 ILE 87 1HG2 ILE 87 6.192 5.525 -31.674 652 2HG2 ILE 87 2HG2 ILE 87 6.109 7.230 -32.178 653 3HG2 ILE 87 3HG2 ILE 87 7.550 6.623 -31.326 654 1HD1 ILE 87 1HD1 ILE 87 6.315 6.611 -27.603 655 2HD1 ILE 87 2HD1 ILE 87 8.035 6.886 -27.964 656 3HD1 ILE 87 3HD1 ILE 87 7.075 8.163 -27.179 657 H ALA 88 HN ALA 88 3.547 5.028 -30.710 658 HA ALA 88 HA ALA 88 3.305 5.239 -33.519 659 1HB ALA 88 1HB ALA 88 3.430 3.023 -33.146 660 2HB ALA 88 2HB ALA 88 3.055 3.238 -31.419 661 3HB ALA 88 3HB ALA 88 1.737 3.083 -32.605 662 HHA HEM 95 HA HEM 95 27.126 13.052 -12.815 663 HHB HEM 95 HB HEM 95 22.935 11.026 -8.517 664 HHC HEM 95 HC HEM 95 18.188 12.743 -12.415 665 HHD HEM 95 HD HEM 95 22.428 14.806 -16.643 666 1HMA HEM 95 1HMA HEM 95 25.814 11.401 -7.477 667 2HMA HEM 95 2HMA HEM 95 26.423 9.939 -8.349 668 3HMA HEM 95 3HMA HEM 95 24.688 10.050 -7.923 669 1HAA HEM 95 1HAA HEM 95 28.160 11.452 -11.510 670 2HAA HEM 95 2HAA HEM 95 27.620 10.211 -10.237 671 1HBA HEM 95 1HBA HEM 95 28.558 10.816 -8.578 672 2HBA HEM 95 2HBA HEM 95 28.593 12.565 -9.004 673 1HMB HEM 95 1HMB HEM 95 20.153 11.597 -7.126 674 2HMB HEM 95 2HMB HEM 95 21.204 10.237 -7.707 675 3HMB HEM 95 3HMB HEM 95 19.434 10.099 -7.859 676 HAB HEM 95 HAB HEM 95 17.498 12.539 -9.664 677 1HBB HEM 95 HBB HEM 95 17.598 9.458 -9.796 678 2HBB HEM 95 HBB HEM 95 16.123 10.593 -9.544 679 1HMC HEM 95 1HMC HEM 95 17.118 14.448 -14.519 680 2HMC HEM 95 2HMC HEM 95 17.309 12.654 -14.337 681 3HMC HEM 95 3HMC HEM 95 17.424 13.402 -15.960 682 HAC HEM 95 HAC HEM 95 20.665 14.826 -17.572 683 1HBC HEM 95 HBC HEM 95 17.894 15.618 -16.462 684 2HBC HEM 95 HBC HEM 95 18.613 15.978 -18.159 685 1HMD HEM 95 1HMD HEM 95 24.845 16.473 -16.666 686 2HMD HEM 95 2HMD HEM 95 24.587 14.996 -17.686 687 3HMD HEM 95 3HMD HEM 95 26.253 15.474 -17.187 688 1HAD HEM 95 1HAD HEM 95 27.951 14.562 -13.956 689 2HAD HEM 95 2HAD HEM 95 27.710 15.305 -15.561 690 1HBD HEM 95 1HBD HEM 95 27.759 12.860 -16.532 691 2HBD HEM 95 2HBD HEM 95 28.331 12.338 -14.938 Start of MODEL 10 1 H VAL 4 HN VAL 4 2.183 -1.070 -8.294 2 HA VAL 4 HA VAL 4 4.088 0.885 -7.253 3 HB VAL 4 HB VAL 4 4.388 -0.749 -9.297 4 1HG1 VAL 4 1HG1 VAL 4 3.146 1.644 -10.685 5 2HG1 VAL 4 2HG1 VAL 4 3.746 0.139 -11.422 6 3HG1 VAL 4 3HG1 VAL 4 2.287 0.111 -10.403 7 1HG2 VAL 4 1HG2 VAL 4 5.331 1.915 -10.104 8 2HG2 VAL 4 2HG2 VAL 4 5.657 1.529 -8.397 9 3HG2 VAL 4 3HG2 VAL 4 6.249 0.449 -9.682 10 H LYS 5 HN LYS 5 3.923 3.124 -8.426 11 HA LYS 5 HA LYS 5 1.085 3.878 -8.364 12 1HB LYS 5 2HB LYS 5 2.861 4.732 -6.607 13 2HB LYS 5 3HB LYS 5 3.309 5.836 -7.890 14 1HG LYS 5 2HG LYS 5 1.595 6.874 -6.462 15 2HG LYS 5 3HG LYS 5 0.947 6.612 -8.068 16 1HD LYS 5 2HD LYS 5 0.545 4.326 -6.202 17 2HD LYS 5 3HD LYS 5 -0.276 5.798 -5.722 18 1HE LYS 5 2HE LYS 5 -0.524 5.138 -8.620 19 2HE LYS 5 3HE LYS 5 -1.271 3.973 -7.546 20 1HZ LYS 5 1HZ LYS 5 -2.557 5.680 -6.575 21 2HZ LYS 5 2HZ LYS 5 -1.745 6.864 -7.355 22 3HZ LYS 5 3HZ LYS 5 -2.706 5.845 -8.193 23 H TYR 6 HN TYR 6 0.211 4.428 -10.282 24 HA TYR 6 HA TYR 6 2.066 5.078 -12.451 25 1HB TYR 6 2HB TYR 6 -0.909 4.295 -12.250 26 2HB TYR 6 3HB TYR 6 -0.096 4.587 -13.775 27 HD1 TYR 6 HD1 TYR 6 2.432 3.201 -13.580 28 HD2 TYR 6 HD2 TYR 6 -1.392 2.034 -12.053 29 HE1 TYR 6 HE1 TYR 6 3.134 0.758 -13.667 30 HE2 TYR 6 HE2 TYR 6 -0.675 -0.404 -12.146 31 HH TYR 6 HH TYR 6 0.844 -1.794 -13.162 32 H TYR 7 HN TYR 7 2.359 7.187 -12.953 33 HA TYR 7 HA TYR 7 0.187 9.037 -12.253 34 1HB TYR 7 2HB TYR 7 3.127 9.565 -12.986 35 2HB TYR 7 3HB TYR 7 2.046 10.675 -12.167 36 HD1 TYR 7 HD1 TYR 7 4.847 8.904 -11.585 37 HD2 TYR 7 HD2 TYR 7 0.899 9.242 -9.974 38 HE1 TYR 7 HE1 TYR 7 5.686 8.068 -9.335 39 HE2 TYR 7 HE2 TYR 7 1.750 8.405 -7.729 40 HH TYR 7 HH TYR 7 3.442 7.694 -6.601 41 H THR 8 HN THR 8 -0.436 10.688 -13.767 42 HA THR 8 HA THR 8 -0.174 9.791 -16.512 43 HB THR 8 HB THR 8 -1.835 11.830 -16.728 44 HG1 THR 8 HG1 THR 8 -2.637 12.416 -14.600 45 1HG2 THR 8 1HG2 THR 8 -2.520 9.340 -16.553 46 2HG2 THR 8 2HG2 THR 8 -2.687 9.615 -14.802 47 3HG2 THR 8 3HG2 THR 8 -3.713 10.514 -15.946 48 H LEU 9 HN LEU 9 0.650 11.005 -18.247 49 HA LEU 9 HA LEU 9 3.033 12.261 -17.796 50 1HB LEU 9 2HB LEU 9 3.077 12.705 -20.050 51 2HB LEU 9 3HB LEU 9 2.003 11.325 -19.936 52 HG LEU 9 HG LEU 9 1.095 14.204 -20.213 53 1HD1 LEU 9 1HD1 LEU 9 1.899 12.180 -22.201 54 2HD1 LEU 9 2HD1 LEU 9 0.335 12.971 -22.517 55 3HD1 LEU 9 3HD1 LEU 9 1.807 13.953 -22.327 56 1HD2 LEU 9 1HD2 LEU 9 -0.698 13.173 -19.199 57 2HD2 LEU 9 2HD2 LEU 9 -1.066 12.911 -20.921 58 3HD2 LEU 9 3HD2 LEU 9 -0.361 11.595 -19.950 59 H GLU 10 HN GLU 10 -0.205 13.467 -17.302 60 HA GLU 10 HA GLU 10 0.284 16.167 -17.672 61 1HB GLU 10 2HB GLU 10 -1.819 14.476 -16.587 62 2HB GLU 10 3HB GLU 10 -1.615 15.885 -15.565 63 1HG GLU 10 2HG GLU 10 -1.697 17.323 -17.681 64 2HG GLU 10 3HG GLU 10 -2.122 15.877 -18.574 65 H GLU 11 HN GLU 11 1.100 13.929 -15.051 66 HA GLU 11 HA GLU 11 1.474 15.872 -13.079 67 1HB GLU 11 2HB GLU 11 1.769 13.014 -13.364 68 2HB GLU 11 3HB GLU 11 3.230 13.642 -12.630 69 1HG GLU 11 2HG GLU 11 2.167 14.174 -10.675 70 2HG GLU 11 3HG GLU 11 0.788 14.867 -11.503 71 H ILE 12 HN ILE 12 4.080 13.854 -14.613 72 HA ILE 12 HA ILE 12 6.234 15.239 -13.943 73 HB ILE 12 HB ILE 12 6.843 14.717 -16.540 74 1HG1 ILE 12 2HG1 ILE 12 4.264 13.992 -16.590 75 2HG1 ILE 12 3HG1 ILE 12 5.499 13.211 -17.557 76 1HG2 ILE 12 1HG2 ILE 12 6.873 13.153 -14.003 77 2HG2 ILE 12 2HG2 ILE 12 7.246 12.293 -15.516 78 3HG2 ILE 12 3HG2 ILE 12 8.216 13.706 -15.032 79 1HD1 ILE 12 1HD1 ILE 12 5.080 12.174 -14.764 80 2HD1 ILE 12 2HD1 ILE 12 3.842 11.799 -15.987 81 3HD1 ILE 12 3HD1 ILE 12 5.530 11.294 -16.244 82 H GLN 13 HN GLN 13 3.879 16.208 -16.485 83 HA GLN 13 HA GLN 13 5.312 18.322 -17.487 84 1HB GLN 13 2HB GLN 13 2.341 17.750 -17.263 85 2HB GLN 13 3HB GLN 13 2.908 19.238 -17.998 86 1HG GLN 13 2HG GLN 13 4.498 17.158 -19.136 87 2HG GLN 13 3HG GLN 13 2.855 16.545 -19.119 88 1HE2 GLN 13 1HE2 GLN 13 5.070 18.296 -20.815 89 2HE2 GLN 13 2HE2 GLN 13 4.041 19.205 -21.873 90 H LYS 14 HN LYS 14 2.384 18.793 -15.396 91 HA LYS 14 HA LYS 14 2.985 21.352 -14.641 92 1HB LYS 14 2HB LYS 14 1.398 20.983 -12.796 93 2HB LYS 14 3HB LYS 14 0.801 20.365 -14.323 94 1HG LYS 14 2HG LYS 14 1.837 18.076 -13.573 95 2HG LYS 14 3HG LYS 14 1.918 18.790 -11.974 96 1HD LYS 14 2HD LYS 14 -0.615 19.397 -12.361 97 2HD LYS 14 3HD LYS 14 -0.547 18.212 -13.652 98 1HE LYS 14 2HE LYS 14 -0.818 16.557 -12.127 99 2HE LYS 14 3HE LYS 14 0.719 16.986 -11.402 100 1HZ LYS 14 1HZ LYS 14 -1.695 17.237 -10.236 101 2HZ LYS 14 2HZ LYS 14 -0.318 17.946 -9.719 102 3HZ LYS 14 3HZ LYS 14 -1.356 18.775 -10.669 103 H HIS 15 HN HIS 15 4.459 18.333 -13.633 104 HA HIS 15 HA HIS 15 5.672 19.634 -11.337 105 1HB HIS 15 2HB HIS 15 5.848 16.765 -12.301 106 2HB HIS 15 3HB HIS 15 6.528 17.388 -10.810 107 HD1 HIS 15 HD1 HIS 15 4.306 18.918 -9.510 108 HD2 HIS 15 HD2 HIS 15 3.618 15.361 -11.625 109 HE1 HIS 15 HE1 HIS 15 2.094 17.986 -8.642 110 H LYS 16 HN LYS 16 6.390 20.873 -13.714 111 HA LYS 16 HA LYS 16 9.071 19.791 -14.227 112 1HB LYS 16 2HB LYS 16 7.450 19.922 -16.159 113 2HB LYS 16 3HB LYS 16 7.470 21.666 -15.989 114 1HG LYS 16 2HG LYS 16 9.718 21.852 -16.664 115 2HG LYS 16 3HG LYS 16 10.117 20.220 -16.164 116 1HD LYS 16 2HD LYS 16 9.943 19.692 -18.378 117 2HD LYS 16 3HD LYS 16 8.212 19.723 -18.107 118 1HE LYS 16 2HE LYS 16 8.058 22.048 -18.846 119 2HE LYS 16 3HE LYS 16 9.803 22.208 -18.889 120 1HZ LYS 16 1HZ LYS 16 8.298 20.314 -20.556 121 2HZ LYS 16 2HZ LYS 16 8.797 21.786 -21.059 122 3HZ LYS 16 3HZ LYS 16 9.894 20.645 -20.658 123 H ASP 17 HN ASP 17 8.025 21.488 -11.915 124 HA ASP 17 HA ASP 17 9.743 23.786 -12.437 125 1HB ASP 17 2HB ASP 17 7.087 23.836 -11.717 126 2HB ASP 17 3HB ASP 17 7.836 23.856 -10.133 127 H SER 18 HN SER 18 10.672 24.658 -10.181 128 HA SER 18 HA SER 18 12.250 22.691 -9.117 129 1HB SER 18 2HB SER 18 11.889 25.502 -8.812 130 2HB SER 18 3HB SER 18 11.828 24.835 -7.193 131 HG SER 18 HG SER 18 13.960 24.757 -7.303 132 H LYS 19 HN LYS 19 9.155 24.125 -7.916 133 HA LYS 19 HA LYS 19 9.001 23.027 -5.443 134 1HB LYS 19 2HB LYS 19 7.245 24.260 -7.293 135 2HB LYS 19 3HB LYS 19 6.439 22.801 -6.751 136 1HG LYS 19 2HG LYS 19 6.309 23.514 -4.542 137 2HG LYS 19 3HG LYS 19 7.804 24.426 -4.629 138 1HD LYS 19 2HD LYS 19 6.444 26.261 -4.723 139 2HD LYS 19 3HD LYS 19 6.252 25.840 -6.413 140 1HE LYS 19 2HE LYS 19 4.087 25.121 -6.125 141 2HE LYS 19 3HE LYS 19 4.444 24.326 -4.605 142 1HZ LYS 19 1HZ LYS 19 4.077 27.217 -4.982 143 2HZ LYS 19 2HZ LYS 19 3.030 26.197 -4.253 144 3HZ LYS 19 3HZ LYS 19 4.478 26.511 -3.565 145 H SER 20 HN SER 20 8.038 21.449 -8.565 146 HA SER 20 HA SER 20 8.515 18.923 -7.212 147 1HB SER 20 2HB SER 20 6.003 19.836 -8.580 148 2HB SER 20 3HB SER 20 6.486 18.173 -8.839 149 HG SER 20 HG SER 20 5.305 17.997 -7.001 150 H THR 21 HN THR 21 10.455 18.489 -8.308 151 HA THR 21 HA THR 21 10.410 18.719 -11.230 152 HB THR 21 HB THR 21 12.540 18.651 -9.064 153 HG1 THR 21 HG1 THR 21 13.108 20.512 -10.606 154 1HG2 THR 21 1HG2 THR 21 13.719 18.909 -11.673 155 2HG2 THR 21 2HG2 THR 21 14.055 17.657 -10.453 156 3HG2 THR 21 3HG2 THR 21 12.783 17.395 -11.671 157 H TRP 22 HN TRP 22 9.673 16.986 -12.289 158 HA TRP 22 HA TRP 22 10.493 14.369 -11.222 159 1HB TRP 22 2HB TRP 22 7.901 15.340 -12.335 160 2HB TRP 22 3HB TRP 22 8.384 13.691 -12.679 161 HD1 TRP 22 HD1 TRP 22 9.463 14.915 -9.254 162 HE1 TRP 22 HE1 TRP 22 8.032 13.838 -7.317 163 HE3 TRP 22 HE3 TRP 22 5.933 12.868 -12.288 164 HZ2 TRP 22 HZ2 TRP 22 5.637 12.286 -7.271 165 HZ3 TRP 22 HZ3 TRP 22 4.083 11.588 -11.217 166 HH2 TRP 22 HH2 TRP 22 3.900 11.281 -8.799 167 H VAL 23 HN VAL 23 10.921 12.723 -12.937 168 HA VAL 23 HA VAL 23 11.224 13.686 -15.624 169 HB VAL 23 HB VAL 23 13.225 14.615 -14.738 170 1HG1 VAL 23 1HG1 VAL 23 14.072 11.922 -13.650 171 2HG1 VAL 23 2HG1 VAL 23 14.784 13.523 -13.341 172 3HG1 VAL 23 3HG1 VAL 23 13.191 13.111 -12.662 173 1HG2 VAL 23 1HG2 VAL 23 14.728 12.397 -15.759 174 2HG2 VAL 23 2HG2 VAL 23 13.221 12.545 -16.694 175 3HG2 VAL 23 3HG2 VAL 23 14.322 13.937 -16.555 176 H ILE 24 HN ILE 24 10.708 12.018 -16.950 177 HA ILE 24 HA ILE 24 10.197 9.473 -15.831 178 HB ILE 24 HB ILE 24 10.240 10.510 -18.664 179 1HG1 ILE 24 2HG1 ILE 24 7.830 9.767 -17.006 180 2HG1 ILE 24 3HG1 ILE 24 8.548 11.362 -16.902 181 1HG2 ILE 24 1HG2 ILE 24 10.676 8.004 -18.404 182 2HG2 ILE 24 2HG2 ILE 24 9.009 7.898 -17.789 183 3HG2 ILE 24 3HG2 ILE 24 9.313 8.497 -19.437 184 1HD1 ILE 24 1HD1 ILE 24 8.236 10.527 -19.698 185 2HD1 ILE 24 2HD1 ILE 24 6.687 10.496 -18.822 186 3HD1 ILE 24 3HD1 ILE 24 7.644 11.996 -18.885 187 H LEU 25 HN LEU 25 11.661 7.951 -15.309 188 HA LEU 25 HA LEU 25 14.011 7.730 -17.047 189 1HB LEU 25 2HB LEU 25 13.905 8.385 -14.211 190 2HB LEU 25 3HB LEU 25 14.869 6.956 -14.524 191 HG LEU 25 HG LEU 25 16.336 8.160 -15.997 192 1HD1 LEU 25 1HD1 LEU 25 15.871 10.779 -16.077 193 2HD1 LEU 25 2HD1 LEU 25 15.195 9.654 -17.280 194 3HD1 LEU 25 3HD1 LEU 25 14.186 10.224 -15.929 195 1HD2 LEU 25 1HD2 LEU 25 15.808 9.806 -13.507 196 2HD2 LEU 25 2HD2 LEU 25 16.793 8.326 -13.597 197 3HD2 LEU 25 3HD2 LEU 25 17.308 9.794 -14.464 198 H HIS 26 HN HIS 26 14.580 5.642 -17.611 199 HA HIS 26 HA HIS 26 13.986 3.558 -18.143 200 1HB HIS 26 2HB HIS 26 14.119 3.163 -15.146 201 2HB HIS 26 3HB HIS 26 14.502 1.996 -16.397 202 HD1 HIS 26 HD1 HIS 26 16.222 3.909 -14.044 203 HD2 HIS 26 HD2 HIS 26 16.722 3.393 -18.176 204 HE1 HIS 26 HE1 HIS 26 18.634 4.563 -14.559 205 H HIS 27 HN HIS 27 11.668 5.257 -17.963 206 HA HIS 27 HA HIS 27 9.483 5.048 -18.042 207 1HB HIS 27 2HB HIS 27 10.355 2.464 -18.526 208 2HB HIS 27 3HB HIS 27 9.203 2.245 -17.224 209 HD1 HIS 27 HD1 HIS 27 8.581 1.167 -20.052 210 HD2 HIS 27 HD2 HIS 27 7.366 4.932 -18.657 211 HE1 HIS 27 HE1 HIS 27 6.570 1.839 -21.470 212 H LYS 28 HN LYS 28 10.552 6.165 -15.793 213 HA LYS 28 HA LYS 28 8.486 5.788 -13.927 214 1HB LYS 28 2HB LYS 28 9.782 4.915 -12.035 215 2HB LYS 28 3HB LYS 28 9.652 3.746 -13.334 216 1HG LYS 28 2HG LYS 28 11.913 4.029 -13.998 217 2HG LYS 28 3HG LYS 28 12.046 5.602 -13.239 218 1HD LYS 28 2HD LYS 28 13.269 3.933 -11.907 219 2HD LYS 28 3HD LYS 28 11.907 4.539 -10.985 220 1HE LYS 28 2HE LYS 28 11.697 2.224 -10.656 221 2HE LYS 28 3HE LYS 28 10.602 2.482 -11.998 222 1HZ LYS 28 1HZ LYS 28 12.243 0.643 -12.247 223 2HZ LYS 28 2HZ LYS 28 12.199 1.699 -13.491 224 3HZ LYS 28 3HZ LYS 28 13.416 1.767 -12.404 225 H VAL 29 HN VAL 29 8.190 7.742 -12.978 226 HA VAL 29 HA VAL 29 9.990 9.833 -13.570 227 HB VAL 29 HB VAL 29 8.462 11.202 -12.323 228 1HG1 VAL 29 1HG1 VAL 29 6.557 9.251 -13.548 229 2HG1 VAL 29 2HG1 VAL 29 6.678 11.016 -13.748 230 3HG1 VAL 29 3HG1 VAL 29 7.827 9.943 -14.584 231 1HG2 VAL 29 1HG2 VAL 29 6.876 8.802 -11.433 232 2HG2 VAL 29 2HG2 VAL 29 8.240 9.395 -10.457 233 3HG2 VAL 29 3HG2 VAL 29 6.861 10.465 -10.802 234 H TYR 30 HN TYR 30 11.368 11.041 -12.169 235 HA TYR 30 HA TYR 30 12.065 9.590 -9.705 236 1HB TYR 30 2HB TYR 30 13.566 10.786 -12.047 237 2HB TYR 30 3HB TYR 30 14.308 11.029 -10.478 238 HD1 TYR 30 HD1 TYR 30 12.415 7.988 -10.619 239 HD2 TYR 30 HD2 TYR 30 16.204 9.704 -11.619 240 HE1 TYR 30 HE1 TYR 30 13.442 5.666 -10.744 241 HE2 TYR 30 HE2 TYR 30 17.219 7.376 -11.739 242 HH TYR 30 HH TYR 30 15.525 4.689 -12.082 243 H ASP 31 HN ASP 31 10.925 10.830 -8.203 244 HA ASP 31 HA ASP 31 10.677 13.580 -8.396 245 1HB ASP 31 2HB ASP 31 9.189 12.280 -6.977 246 2HB ASP 31 3HB ASP 31 10.531 11.650 -6.042 247 H LEU 32 HN LEU 32 12.973 14.219 -8.900 248 HA LEU 32 HA LEU 32 14.765 14.020 -6.594 249 1HB LEU 32 2HB LEU 32 16.559 14.289 -8.065 250 2HB LEU 32 3HB LEU 32 15.476 13.142 -8.829 251 HG LEU 32 HG LEU 32 14.793 15.772 -9.747 252 1HD1 LEU 32 1HD1 LEU 32 17.577 15.257 -10.628 253 2HD1 LEU 32 2HD1 LEU 32 16.706 16.790 -10.383 254 3HD1 LEU 32 3HD1 LEU 32 17.372 15.912 -8.985 255 1HD2 LEU 32 1HD2 LEU 32 15.921 13.280 -11.029 256 2HD2 LEU 32 2HD2 LEU 32 14.245 13.881 -11.047 257 3HD2 LEU 32 3HD2 LEU 32 15.509 14.744 -11.956 258 H THR 33 HN THR 33 12.562 15.741 -6.306 259 HA THR 33 HA THR 33 13.153 18.375 -7.149 260 HB THR 33 HB THR 33 11.427 17.315 -4.849 261 HG1 THR 33 HG1 THR 33 9.871 17.213 -6.571 262 1HG2 THR 33 1HG2 THR 33 10.617 19.676 -6.484 263 2HG2 THR 33 2HG2 THR 33 10.455 19.407 -4.732 264 3HG2 THR 33 3HG2 THR 33 12.004 19.966 -5.407 265 H LYS 34 HN LYS 34 13.782 16.575 -4.082 266 HA LYS 34 HA LYS 34 14.975 18.808 -2.831 267 1HB LYS 34 2HB LYS 34 15.553 15.953 -2.079 268 2HB LYS 34 3HB LYS 34 15.403 17.362 -1.048 269 1HG LYS 34 2HG LYS 34 13.227 16.832 -0.707 270 2HG LYS 34 3HG LYS 34 12.910 17.174 -2.397 271 1HD LYS 34 2HD LYS 34 14.115 14.600 -2.382 272 2HD LYS 34 3HD LYS 34 13.009 14.589 -1.023 273 1HE LYS 34 2HE LYS 34 11.440 15.806 -2.936 274 2HE LYS 34 3HE LYS 34 12.421 14.763 -3.946 275 1HZ LYS 34 1HZ LYS 34 10.264 13.936 -2.715 276 2HZ LYS 34 2HZ LYS 34 11.512 12.937 -3.051 277 3HZ LYS 34 3HZ LYS 34 11.351 13.567 -1.553 278 H TYR 35 HN TYR 35 16.215 16.014 -4.740 279 HA TYR 35 HA TYR 35 18.924 17.017 -4.461 280 1HB TYR 35 2HB TYR 35 18.330 14.567 -4.362 281 2HB TYR 35 3HB TYR 35 17.542 14.682 -5.922 282 HD1 TYR 35 HD1 TYR 35 18.763 14.377 -7.930 283 HD2 TYR 35 HD2 TYR 35 20.860 14.933 -4.243 284 HE1 TYR 35 HE1 TYR 35 20.948 13.757 -9.071 285 HE2 TYR 35 HE2 TYR 35 23.038 14.311 -5.396 286 HH TYR 35 HH TYR 35 23.434 12.708 -7.749 287 H LEU 36 HN LEU 36 16.741 18.563 -5.933 288 HA LEU 36 HA LEU 36 17.435 18.312 -8.698 289 1HB LEU 36 2HB LEU 36 15.220 18.929 -8.206 290 2HB LEU 36 3HB LEU 36 15.718 20.184 -7.088 291 HG LEU 36 HG LEU 36 14.811 21.010 -9.263 292 1HD1 LEU 36 1HD1 LEU 36 16.985 21.944 -7.761 293 2HD1 LEU 36 2HD1 LEU 36 17.462 22.147 -9.465 294 3HD1 LEU 36 3HD1 LEU 36 15.949 22.875 -8.870 295 1HD2 LEU 36 1HD2 LEU 36 17.100 19.413 -10.308 296 2HD2 LEU 36 2HD2 LEU 36 15.482 19.693 -10.993 297 3HD2 LEU 36 3HD2 LEU 36 16.729 20.958 -11.110 298 H GLU 37 HN GLU 37 18.136 20.628 -6.008 299 HA GLU 37 HA GLU 37 19.962 22.008 -7.755 300 1HB GLU 37 2HB GLU 37 18.715 22.533 -5.077 301 2HB GLU 37 3HB GLU 37 20.272 23.275 -5.382 302 1HG GLU 37 2HG GLU 37 18.775 23.685 -7.764 303 2HG GLU 37 3HG GLU 37 17.648 23.991 -6.457 304 H GLU 38 HN GLU 38 19.984 19.317 -5.659 305 HA GLU 38 HA GLU 38 22.616 19.759 -4.648 306 1HB GLU 38 2HB GLU 38 20.819 18.499 -3.399 307 2HB GLU 38 3HB GLU 38 20.918 17.226 -4.598 308 1HG GLU 38 2HG GLU 38 22.381 16.410 -2.963 309 2HG GLU 38 3HG GLU 38 23.502 17.233 -4.030 310 H HIS 39 HN HIS 39 21.126 18.425 -7.513 311 HA HIS 39 HA HIS 39 22.858 16.458 -8.251 312 1HB HIS 39 2HB HIS 39 20.725 17.334 -9.380 313 2HB HIS 39 3HB HIS 39 21.755 18.503 -10.181 314 HD1 HIS 39 HD1 HIS 39 21.773 17.645 -12.551 315 HD2 HIS 39 HD2 HIS 39 22.612 14.641 -9.747 316 HE1 HIS 39 HE1 HIS 39 22.433 15.577 -13.894 317 HA PRO 40 HA PRO 40 26.611 18.628 -8.675 318 1HB PRO 40 2HB PRO 40 28.171 16.532 -9.475 319 2HB PRO 40 3HB PRO 40 27.812 16.872 -7.795 320 1HG PRO 40 2HG PRO 40 26.709 14.751 -9.533 321 2HG PRO 40 3HG PRO 40 26.698 14.852 -7.783 322 1HD PRO 40 2HD PRO 40 24.496 15.374 -9.547 323 2HD PRO 40 3HD PRO 40 24.519 15.587 -7.808 324 H GLY 41 HN GLY 41 25.188 16.747 -11.208 325 1HA GLY 41 1HA GLY 41 26.885 17.621 -13.289 326 2HA GLY 41 2HA GLY 41 25.271 16.954 -13.447 327 H GLY 42 HN GLY 42 23.426 18.559 -12.660 328 1HA GLY 42 1HA GLY 42 23.922 21.346 -12.801 329 2HA GLY 42 2HA GLY 42 23.401 20.749 -14.365 330 H GLU 43 HN GLU 43 22.048 22.509 -12.250 331 HA GLU 43 HA GLU 43 19.888 20.846 -11.376 332 1HB GLU 43 2HB GLU 43 19.018 23.021 -10.414 333 2HB GLU 43 3HB GLU 43 20.610 22.563 -9.845 334 1HG GLU 43 2HG GLU 43 21.588 24.405 -10.765 335 2HG GLU 43 3HG GLU 43 20.780 24.167 -12.302 336 H GLU 44 HN GLU 44 20.745 22.477 -14.241 337 HA GLU 44 HA GLU 44 18.013 23.127 -14.904 338 1HB GLU 44 2HB GLU 44 20.184 24.531 -15.453 339 2HB GLU 44 3HB GLU 44 20.359 23.416 -16.794 340 1HG GLU 44 2HG GLU 44 18.944 24.788 -17.933 341 2HG GLU 44 3HG GLU 44 17.663 24.091 -16.960 342 H VAL 45 HN VAL 45 20.758 21.120 -16.189 343 HA VAL 45 HA VAL 45 19.601 19.925 -18.291 344 HB VAL 45 HB VAL 45 21.756 19.292 -17.959 345 1HG1 VAL 45 1HG1 VAL 45 22.229 18.162 -15.498 346 2HG1 VAL 45 2HG1 VAL 45 22.562 19.856 -15.934 347 3HG1 VAL 45 3HG1 VAL 45 21.045 19.431 -15.105 348 1HG2 VAL 45 1HG2 VAL 45 20.723 16.864 -16.541 349 2HG2 VAL 45 2HG2 VAL 45 20.069 17.257 -18.149 350 3HG2 VAL 45 3HG2 VAL 45 21.817 16.994 -17.939 351 H LEU 46 HN LEU 46 18.715 19.565 -14.889 352 HA LEU 46 HA LEU 46 17.105 17.229 -15.430 353 1HB LEU 46 2HB LEU 46 17.027 18.797 -12.884 354 2HB LEU 46 3HB LEU 46 16.798 17.079 -13.145 355 HG LEU 46 HG LEU 46 19.491 18.275 -13.703 356 1HD1 LEU 46 1HD1 LEU 46 18.639 17.463 -10.916 357 2HD1 LEU 46 2HD1 LEU 46 20.187 18.172 -11.433 358 3HD1 LEU 46 3HD1 LEU 46 18.701 19.151 -11.478 359 1HD2 LEU 46 1HD2 LEU 46 18.322 15.604 -13.230 360 2HD2 LEU 46 2HD2 LEU 46 19.720 16.097 -14.215 361 3HD2 LEU 46 3HD2 LEU 46 19.896 15.899 -12.455 362 H ARG 47 HN ARG 47 16.490 20.591 -14.182 363 HA ARG 47 HA ARG 47 13.769 20.417 -14.429 364 1HB ARG 47 2HB ARG 47 15.651 22.821 -14.579 365 2HB ARG 47 3HB ARG 47 13.908 22.994 -14.516 366 1HG ARG 47 2HG ARG 47 14.346 21.245 -12.415 367 2HG ARG 47 3HG ARG 47 15.810 22.208 -12.364 368 1HD ARG 47 2HD ARG 47 13.327 23.807 -12.746 369 2HD ARG 47 3HD ARG 47 13.388 22.942 -11.222 370 HE ARG 47 HE ARG 47 15.910 24.085 -11.407 371 1HH1 ARG 47 1HH1 ARG 47 15.260 27.355 -10.378 372 2HH1 ARG 47 2HH1 ARG 47 16.475 26.138 -10.576 373 1HH2 ARG 47 1HH2 ARG 47 13.058 26.902 -10.955 374 2HH2 ARG 47 2HH2 ARG 47 12.630 25.347 -11.583 375 H GLU 48 HN GLU 48 16.174 21.997 -16.670 376 HA GLU 48 HA GLU 48 14.679 22.943 -18.585 377 1HB GLU 48 2HB GLU 48 17.182 22.779 -18.604 378 2HB GLU 48 3HB GLU 48 17.058 21.106 -19.110 379 1HG GLU 48 2HG GLU 48 16.385 21.651 -21.265 380 2HG GLU 48 3HG GLU 48 15.522 23.087 -20.753 381 H GLN 49 HN GLN 49 15.328 19.421 -18.125 382 HA GLN 49 HA GLN 49 13.019 18.947 -19.830 383 1HB GLN 49 2HB GLN 49 14.160 16.954 -20.793 384 2HB GLN 49 3HB GLN 49 14.989 18.446 -21.191 385 1HG GLN 49 2HG GLN 49 16.267 17.810 -18.849 386 2HG GLN 49 3HG GLN 49 15.862 16.202 -19.414 387 1HE2 GLN 49 1HE2 GLN 49 16.465 15.604 -21.597 388 2HE2 GLN 49 2HE2 GLN 49 17.907 16.245 -22.308 389 H ALA 50 HN ALA 50 12.587 19.146 -17.186 390 HA ALA 50 HA ALA 50 13.105 16.724 -15.780 391 1HB ALA 50 1HB ALA 50 12.875 18.474 -14.308 392 2HB ALA 50 2HB ALA 50 11.678 19.314 -15.323 393 3HB ALA 50 3HB ALA 50 11.182 17.926 -14.326 394 H GLY 51 HN GLY 51 9.811 18.089 -15.968 395 1HA GLY 51 1HA GLY 51 8.399 15.801 -15.926 396 2HA GLY 51 2HA GLY 51 7.880 17.236 -16.788 397 H GLY 52 HN GLY 52 10.195 17.142 -18.714 398 1HA GLY 52 1HA GLY 52 8.989 15.677 -20.766 399 2HA GLY 52 2HA GLY 52 10.618 16.322 -20.762 400 H ASP 53 HN ASP 53 11.842 14.627 -21.559 401 HA ASP 53 HA ASP 53 11.736 12.208 -19.945 402 1HB ASP 53 2HB ASP 53 12.085 10.846 -21.962 403 2HB ASP 53 3HB ASP 53 10.621 11.794 -22.130 404 H ALA 54 HN ALA 54 13.751 12.165 -18.929 405 HA ALA 54 HA ALA 54 16.054 13.076 -20.514 406 1HB ALA 54 1HB ALA 54 16.033 12.933 -17.503 407 2HB ALA 54 2HB ALA 54 16.977 13.992 -18.580 408 3HB ALA 54 3HB ALA 54 15.242 14.300 -18.325 409 H THR 55 HN THR 55 14.563 10.357 -20.215 410 HA THR 55 HA THR 55 16.020 8.579 -18.710 411 HB THR 55 HB THR 55 14.520 8.400 -21.359 412 HG1 THR 55 HG1 THR 55 13.103 8.526 -19.626 413 1HG2 THR 55 1HG2 THR 55 16.401 6.508 -20.757 414 2HG2 THR 55 2HG2 THR 55 15.064 5.937 -19.731 415 3HG2 THR 55 3HG2 THR 55 14.830 6.100 -21.487 416 H GLU 56 HN GLU 56 16.593 9.297 -22.225 417 HA GLU 56 HA GLU 56 18.997 7.879 -22.209 418 1HB GLU 56 2HB GLU 56 17.919 9.998 -24.119 419 2HB GLU 56 3HB GLU 56 19.357 9.048 -24.435 420 1HG GLU 56 2HG GLU 56 17.919 7.570 -25.421 421 2HG GLU 56 3HG GLU 56 17.573 7.052 -23.783 422 H ASN 57 HN ASN 57 18.156 11.358 -21.797 423 HA ASN 57 HA ASN 57 20.751 12.308 -21.907 424 1HB ASN 57 2HB ASN 57 18.109 13.274 -20.845 425 2HB ASN 57 3HB ASN 57 19.525 14.084 -20.204 426 1HD2 ASN 57 1HD2 ASN 57 20.810 15.336 -21.497 427 2HD2 ASN 57 2HD2 ASN 57 20.378 15.836 -23.099 428 H PHE 58 HN PHE 58 19.137 10.296 -19.619 429 HA PHE 58 HA PHE 58 20.811 11.185 -17.402 430 1HB PHE 58 2HB PHE 58 18.359 10.823 -17.047 431 2HB PHE 58 3HB PHE 58 18.470 9.219 -17.745 432 HD1 PHE 58 HD1 PHE 58 18.639 7.408 -16.322 433 HD2 PHE 58 HD2 PHE 58 19.914 11.212 -14.937 434 HE1 PHE 58 HE1 PHE 58 19.044 6.443 -14.041 435 HE2 PHE 58 HE2 PHE 58 20.319 10.246 -12.656 436 HZ PHE 58 HZ PHE 58 19.879 7.874 -12.236 437 H GLU 59 HN GLU 59 20.090 8.348 -19.502 438 HA GLU 59 HA GLU 59 21.979 6.741 -18.103 439 1HB GLU 59 2HB GLU 59 21.285 4.982 -19.528 440 2HB GLU 59 3HB GLU 59 19.841 5.952 -19.325 441 1HG GLU 59 2HG GLU 59 19.804 5.774 -21.632 442 2HG GLU 59 3HG GLU 59 20.800 7.211 -21.503 443 H ASP 60 HN ASP 60 21.878 8.795 -21.017 444 HA ASP 60 HA ASP 60 24.075 7.833 -22.318 445 1HB ASP 60 2HB ASP 60 22.477 9.599 -23.143 446 2HB ASP 60 3HB ASP 60 23.197 10.746 -22.029 447 H VAL 61 HN VAL 61 23.745 10.265 -19.655 448 HA VAL 61 HA VAL 61 26.476 10.968 -19.592 449 HB VAL 61 HB VAL 61 25.919 12.126 -17.587 450 1HG1 VAL 61 1HG1 VAL 61 23.511 13.048 -18.378 451 2HG1 VAL 61 2HG1 VAL 61 25.036 13.471 -19.194 452 3HG1 VAL 61 3HG1 VAL 61 23.997 12.187 -19.858 453 1HG2 VAL 61 1HG2 VAL 61 23.145 11.292 -17.248 454 2HG2 VAL 61 2HG2 VAL 61 24.280 9.940 -17.022 455 3HG2 VAL 61 3HG2 VAL 61 24.454 11.420 -16.049 456 H GLY 62 HN GLY 62 24.761 8.121 -18.688 457 1HA GLY 62 1HA GLY 62 25.382 6.247 -17.616 458 2HA GLY 62 2HA GLY 62 27.043 6.749 -17.863 459 H HIS 63 HN HIS 63 24.219 6.959 -15.666 460 HA HIS 63 HA HIS 63 25.612 8.415 -13.675 461 1HB HIS 63 2HB HIS 63 22.998 6.934 -13.822 462 2HB HIS 63 3HB HIS 63 23.608 7.479 -12.271 463 HD1 HIS 63 HD1 HIS 63 22.918 9.001 -15.729 464 HD2 HIS 63 HD2 HIS 63 22.860 10.033 -11.663 465 HE1 HIS 63 HE1 HIS 63 22.001 11.379 -15.608 466 H SER 64 HN SER 64 26.666 7.689 -11.805 467 HA SER 64 HA SER 64 27.675 5.035 -12.030 468 1HB SER 64 2HB SER 64 28.189 7.366 -10.156 469 2HB SER 64 3HB SER 64 28.873 5.787 -9.824 470 HG SER 64 HG SER 64 29.267 6.538 -12.473 471 H THR 65 HN THR 65 27.851 3.723 -9.820 472 HA THR 65 HA THR 65 25.335 2.855 -9.125 473 HB THR 65 HB THR 65 28.137 2.632 -8.034 474 HG1 THR 65 HG1 THR 65 27.287 0.332 -8.371 475 1HG2 THR 65 1HG2 THR 65 26.510 2.784 -6.012 476 2HG2 THR 65 2HG2 THR 65 25.747 1.315 -6.666 477 3HG2 THR 65 3HG2 THR 65 27.451 1.281 -6.156 478 H ASP 66 HN ASP 66 27.404 5.281 -7.426 479 HA ASP 66 HA ASP 66 26.056 5.683 -5.204 480 1HB ASP 66 2HB ASP 66 27.196 7.691 -7.177 481 2HB ASP 66 3HB ASP 66 26.473 8.247 -5.681 482 H ALA 67 HN ALA 67 25.108 6.760 -8.518 483 HA ALA 67 HA ALA 67 22.843 8.241 -7.659 484 1HB ALA 67 1HB ALA 67 24.218 8.457 -9.828 485 2HB ALA 67 2HB ALA 67 23.306 7.042 -10.406 486 3HB ALA 67 3HB ALA 67 22.446 8.541 -9.981 487 H ARG 68 HN ARG 68 23.390 4.920 -8.992 488 HA ARG 68 HA ARG 68 20.887 4.109 -9.344 489 1HB ARG 68 2HB ARG 68 23.215 2.598 -8.066 490 2HB ARG 68 3HB ARG 68 21.730 1.799 -8.541 491 1HG ARG 68 2HG ARG 68 22.131 2.935 -10.883 492 2HG ARG 68 3HG ARG 68 23.771 3.182 -10.316 493 1HD ARG 68 2HD ARG 68 24.014 0.734 -9.901 494 2HD ARG 68 3HD ARG 68 22.359 0.470 -10.415 495 HE ARG 68 HE ARG 68 24.664 1.013 -12.147 496 1HH1 ARG 68 1HH1 ARG 68 22.730 0.894 -15.050 497 2HH1 ARG 68 2HH1 ARG 68 24.338 0.907 -14.406 498 1HH2 ARG 68 1HH2 ARG 68 20.906 0.986 -13.616 499 2HH2 ARG 68 2HH2 ARG 68 21.154 1.067 -11.904 500 H GLU 69 HN GLU 69 22.562 4.661 -6.237 501 HA GLU 69 HA GLU 69 20.551 3.380 -4.706 502 1HB GLU 69 2HB GLU 69 23.139 4.674 -4.250 503 2HB GLU 69 3HB GLU 69 21.979 5.147 -3.024 504 1HG GLU 69 2HG GLU 69 21.420 2.679 -2.704 505 2HG GLU 69 3HG GLU 69 22.731 2.291 -3.801 506 H LEU 70 HN LEU 70 21.559 6.845 -5.187 507 HA LEU 70 HA LEU 70 19.537 7.991 -3.712 508 1HB LEU 70 2HB LEU 70 21.354 8.837 -5.896 509 2HB LEU 70 3HB LEU 70 19.948 9.846 -5.618 510 HG LEU 70 HG LEU 70 20.673 10.567 -3.565 511 1HD1 LEU 70 1HD1 LEU 70 20.823 8.613 -2.302 512 2HD1 LEU 70 2HD1 LEU 70 22.096 7.922 -3.336 513 3HD1 LEU 70 3HD1 LEU 70 22.473 9.279 -2.247 514 1HD2 LEU 70 1HD2 LEU 70 22.700 10.397 -5.580 515 2HD2 LEU 70 2HD2 LEU 70 22.435 11.657 -4.352 516 3HD2 LEU 70 3HD2 LEU 70 23.461 10.252 -3.978 517 H SER 71 HN SER 71 19.599 7.530 -7.322 518 HA SER 71 HA SER 71 17.174 8.379 -7.936 519 1HB SER 71 2HB SER 71 17.141 6.450 -9.671 520 2HB SER 71 3HB SER 71 18.494 7.563 -9.713 521 HG SER 71 HG SER 71 19.741 6.005 -8.471 522 H LYS 72 HN LYS 72 17.889 4.958 -6.901 523 HA LYS 72 HA LYS 72 15.232 4.143 -6.821 524 1HB LYS 72 2HB LYS 72 17.746 3.004 -6.416 525 2HB LYS 72 3HB LYS 72 16.952 2.822 -4.865 526 1HG LYS 72 2HG LYS 72 14.951 1.831 -6.033 527 2HG LYS 72 3HG LYS 72 15.798 1.964 -7.561 528 1HD LYS 72 2HD LYS 72 17.704 0.597 -6.312 529 2HD LYS 72 3HD LYS 72 16.415 0.157 -5.208 530 1HE LYS 72 2HE LYS 72 16.177 -0.186 -8.231 531 2HE LYS 72 3HE LYS 72 16.802 -1.445 -7.184 532 1HZ LYS 72 1HZ LYS 72 14.453 -1.687 -7.550 533 2HZ LYS 72 2HZ LYS 72 14.731 -1.383 -5.970 534 3HZ LYS 72 3HZ LYS 72 14.149 -0.203 -6.938 535 H THR 73 HN THR 73 17.189 6.074 -4.596 536 HA THR 73 HA THR 73 15.343 5.738 -2.407 537 HB THR 73 HB THR 73 17.997 6.974 -2.964 538 HG1 THR 73 HG1 THR 73 16.576 5.975 -0.598 539 1HG2 THR 73 1HG2 THR 73 16.694 9.000 -2.197 540 2HG2 THR 73 2HG2 THR 73 16.158 8.075 -0.774 541 3HG2 THR 73 3HG2 THR 73 17.883 8.461 -0.987 542 H TYR 74 HN TYR 74 15.808 7.935 -5.144 543 HA TYR 74 HA TYR 74 13.798 9.732 -4.010 544 1HB TYR 74 2HB TYR 74 15.892 9.726 -6.241 545 2HB TYR 74 3HB TYR 74 14.595 10.902 -6.307 546 HD1 TYR 74 HD1 TYR 74 17.508 9.761 -4.313 547 HD2 TYR 74 HD2 TYR 74 14.600 12.842 -4.901 548 HE1 TYR 74 HE1 TYR 74 18.814 11.299 -2.765 549 HE2 TYR 74 HE2 TYR 74 15.914 14.369 -3.352 550 HH TYR 74 HH TYR 74 17.501 14.388 -1.768 551 H ILE 75 HN ILE 75 12.954 7.080 -4.832 552 HA ILE 75 HA ILE 75 11.533 7.709 -7.319 553 HB ILE 75 HB ILE 75 13.024 5.740 -7.335 554 1HG1 ILE 75 2HG1 ILE 75 11.396 4.200 -8.345 555 2HG1 ILE 75 3HG1 ILE 75 10.074 5.098 -7.625 556 1HG2 ILE 75 1HG2 ILE 75 12.242 5.254 -4.809 557 2HG2 ILE 75 2HG2 ILE 75 11.150 4.146 -5.676 558 3HG2 ILE 75 3HG2 ILE 75 12.913 4.008 -5.888 559 1HD1 ILE 75 1HD1 ILE 75 10.619 5.676 -10.063 560 2HD1 ILE 75 2HD1 ILE 75 10.542 7.059 -8.944 561 3HD1 ILE 75 3HD1 ILE 75 12.121 6.415 -9.457 562 H ILE 76 HN ILE 76 9.281 7.653 -7.386 563 HA ILE 76 HA ILE 76 7.990 7.160 -4.795 564 HB ILE 76 HB ILE 76 6.643 9.036 -5.014 565 1HG1 ILE 76 2HG1 ILE 76 6.213 8.590 -7.502 566 2HG1 ILE 76 3HG1 ILE 76 6.165 10.252 -6.945 567 1HG2 ILE 76 1HG2 ILE 76 9.465 9.670 -5.880 568 2HG2 ILE 76 2HG2 ILE 76 8.270 10.935 -5.505 569 3HG2 ILE 76 3HG2 ILE 76 8.748 9.762 -4.253 570 1HD1 ILE 76 1HD1 ILE 76 7.490 10.377 -8.900 571 2HD1 ILE 76 2HD1 ILE 76 8.704 10.327 -7.599 572 3HD1 ILE 76 3HD1 ILE 76 8.340 8.857 -8.533 573 H GLY 77 HN GLY 77 7.961 6.957 -8.352 574 1HA GLY 77 1HA GLY 77 6.527 4.586 -8.441 575 2HA GLY 77 2HA GLY 77 5.349 5.875 -8.598 576 H GLU 78 HN GLU 78 5.029 4.911 -10.811 577 HA GLU 78 HA GLU 78 7.039 6.016 -12.613 578 1HB GLU 78 2HB GLU 78 6.714 4.151 -14.135 579 2HB GLU 78 3HB GLU 78 7.090 3.506 -12.551 580 1HG GLU 78 2HG GLU 78 4.541 3.328 -12.160 581 2HG GLU 78 3HG GLU 78 4.346 3.675 -13.867 582 H LEU 79 HN LEU 79 6.074 6.440 -14.892 583 HA LEU 79 HA LEU 79 3.458 7.670 -14.473 584 1HB LEU 79 2HB LEU 79 4.014 9.216 -16.088 585 2HB LEU 79 3HB LEU 79 5.517 8.966 -15.221 586 HG LEU 79 HG LEU 79 6.010 9.110 -17.553 587 1HD1 LEU 79 1HD1 LEU 79 7.256 7.432 -16.197 588 2HD1 LEU 79 2HD1 LEU 79 6.152 6.178 -16.810 589 3HD1 LEU 79 3HD1 LEU 79 7.204 7.064 -17.938 590 1HD2 LEU 79 1HD2 LEU 79 3.556 8.265 -18.100 591 2HD2 LEU 79 2HD2 LEU 79 4.886 8.126 -19.275 592 3HD2 LEU 79 3HD2 LEU 79 4.402 6.712 -18.308 593 H HIS 80 HN HIS 80 1.721 7.340 -15.959 594 HA HIS 80 HA HIS 80 1.220 4.800 -16.675 595 1HB HIS 80 2HB HIS 80 -0.076 7.212 -16.877 596 2HB HIS 80 3HB HIS 80 0.124 6.783 -18.564 597 HD1 HIS 80 HD1 HIS 80 -2.489 6.436 -18.726 598 HD2 HIS 80 HD2 HIS 80 -0.512 3.804 -16.125 599 HE1 HIS 80 HE1 HIS 80 -4.142 4.560 -18.216 600 HA PRO 81 HA PRO 81 4.068 4.222 -19.957 601 1HB PRO 81 2HB PRO 81 3.785 1.511 -20.164 602 2HB PRO 81 3HB PRO 81 4.894 2.277 -19.043 603 1HG PRO 81 2HG PRO 81 2.292 0.988 -18.487 604 2HG PRO 81 3HG PRO 81 3.589 1.368 -17.371 605 1HD PRO 81 2HD PRO 81 1.125 2.801 -17.691 606 2HD PRO 81 3HD PRO 81 2.470 3.247 -16.661 607 H ASP 82 HN ASP 82 0.781 4.052 -19.938 608 HA ASP 82 HA ASP 82 0.509 2.942 -22.533 609 1HB ASP 82 2HB ASP 82 -1.240 2.945 -20.647 610 2HB ASP 82 3HB ASP 82 -1.491 4.646 -20.983 611 H ASP 83 HN ASP 83 0.822 6.155 -20.994 612 HA ASP 83 HA ASP 83 0.285 7.436 -23.534 613 1HB ASP 83 2HB ASP 83 0.602 8.426 -20.677 614 2HB ASP 83 3HB ASP 83 0.645 9.550 -22.019 615 H ARG 84 HN ARG 84 2.836 6.297 -21.468 616 HA ARG 84 HA ARG 84 4.763 8.212 -21.868 617 1HB ARG 84 2HB ARG 84 4.714 6.047 -20.354 618 2HB ARG 84 3HB ARG 84 5.409 5.242 -21.747 619 1HG ARG 84 2HG ARG 84 6.703 7.828 -20.965 620 2HG ARG 84 3HG ARG 84 6.899 6.508 -19.830 621 1HD ARG 84 2HD ARG 84 8.190 5.245 -21.293 622 2HD ARG 84 3HD ARG 84 7.345 5.822 -22.715 623 HE ARG 84 HE ARG 84 8.622 8.096 -21.900 624 1HH1 ARG 84 1HH1 ARG 84 11.951 7.537 -22.782 625 2HH1 ARG 84 2HH1 ARG 84 10.753 8.735 -22.423 626 1HH2 ARG 84 1HH2 ARG 84 11.393 5.285 -22.733 627 2HH2 ARG 84 2HH2 ARG 84 9.778 4.802 -22.337 628 H SER 85 HN SER 85 3.291 5.998 -24.091 629 HA SER 85 HA SER 85 5.564 6.249 -25.893 630 1HB SER 85 2HB SER 85 3.187 4.338 -25.977 631 2HB SER 85 3HB SER 85 4.471 4.382 -27.169 632 HG SER 85 HG SER 85 5.938 3.579 -25.704 633 H LYS 86 HN LYS 86 4.335 8.619 -25.720 634 HA LYS 86 HA LYS 86 2.172 8.703 -27.661 635 1HB LYS 86 2HB LYS 86 2.359 9.969 -25.343 636 2HB LYS 86 3HB LYS 86 3.279 11.126 -26.284 637 1HG LYS 86 2HG LYS 86 0.816 10.252 -27.666 638 2HG LYS 86 3HG LYS 86 0.484 10.995 -26.113 639 1HD LYS 86 2HD LYS 86 2.031 12.922 -26.827 640 2HD LYS 86 3HD LYS 86 2.056 12.210 -28.429 641 1HE LYS 86 2HE LYS 86 0.127 13.312 -28.890 642 2HE LYS 86 3HE LYS 86 -0.690 12.289 -27.724 643 1HZ LYS 86 1HZ LYS 86 -0.530 14.893 -27.480 644 2HZ LYS 86 2HZ LYS 86 -0.645 13.900 -26.188 645 3HZ LYS 86 3HZ LYS 86 0.809 14.493 -26.634 646 H ILE 87 HN ILE 87 5.093 7.995 -28.261 647 HA ILE 87 HA ILE 87 6.140 10.229 -29.665 648 HB ILE 87 HB ILE 87 7.240 8.049 -28.658 649 1HG1 ILE 87 2HG1 ILE 87 9.182 8.452 -30.246 650 2HG1 ILE 87 3HG1 ILE 87 8.157 9.594 -31.095 651 1HG2 ILE 87 1HG2 ILE 87 5.899 6.734 -30.504 652 2HG2 ILE 87 2HG2 ILE 87 7.274 7.208 -31.529 653 3HG2 ILE 87 3HG2 ILE 87 7.553 6.256 -30.051 654 1HD1 ILE 87 1HD1 ILE 87 7.890 10.247 -28.340 655 2HD1 ILE 87 2HD1 ILE 87 9.624 9.957 -28.611 656 3HD1 ILE 87 3HD1 ILE 87 8.762 11.170 -29.587 657 H ALA 88 HN ALA 88 3.910 7.564 -30.400 658 HA ALA 88 HA ALA 88 4.019 7.388 -33.090 659 1HB ALA 88 1HB ALA 88 2.223 6.120 -32.636 660 2HB ALA 88 2HB ALA 88 2.171 6.804 -30.993 661 3HB ALA 88 3HB ALA 88 1.256 7.578 -32.310 662 HHA HEM 95 HA HEM 95 27.041 12.908 -12.968 663 HHB HEM 95 HB HEM 95 22.916 10.970 -8.567 664 HHC HEM 95 HC HEM 95 18.110 12.676 -12.396 665 HHD HEM 95 HD HEM 95 22.287 14.651 -16.729 666 1HMA HEM 95 1HMA HEM 95 25.817 11.334 -7.585 667 2HMA HEM 95 2HMA HEM 95 26.399 9.856 -8.450 668 3HMA HEM 95 3HMA HEM 95 24.672 9.987 -7.994 669 1HAA HEM 95 1HAA HEM 95 27.625 10.278 -11.337 670 2HAA HEM 95 2HAA HEM 95 27.963 10.938 -9.634 671 1HBA HEM 95 1HBA HEM 95 28.862 12.933 -10.339 672 2HBA HEM 95 2HBA HEM 95 28.975 12.249 -12.000 673 1HMB HEM 95 1HMB HEM 95 20.166 11.581 -7.132 674 2HMB HEM 95 2HMB HEM 95 21.194 10.204 -7.715 675 3HMB HEM 95 3HMB HEM 95 19.421 10.079 -7.833 676 HAB HEM 95 HAB HEM 95 17.468 12.514 -9.639 677 1HBB HEM 95 HBB HEM 95 17.546 9.429 -9.713 678 2HBB HEM 95 HBB HEM 95 16.084 10.580 -9.456 679 1HMC HEM 95 1HMC HEM 95 17.015 14.363 -14.502 680 2HMC HEM 95 2HMC HEM 95 17.195 12.570 -14.302 681 3HMC HEM 95 3HMC HEM 95 17.285 13.297 -15.935 682 HAC HEM 95 HAC HEM 95 20.513 14.694 -17.618 683 1HBC HEM 95 HBC HEM 95 17.748 15.473 -16.485 684 2HBC HEM 95 HBC HEM 95 18.446 15.824 -18.193 685 1HMD HEM 95 1HMD HEM 95 24.714 16.298 -16.819 686 2HMD HEM 95 2HMD HEM 95 24.426 14.811 -17.815 687 3HMD HEM 95 3HMD HEM 95 26.106 15.281 -17.353 688 1HAD HEM 95 1HAD HEM 95 27.885 14.242 -14.140 689 2HAD HEM 95 2HAD HEM 95 27.577 15.203 -15.611 690 1HBD HEM 95 1HBD HEM 95 28.007 13.350 -17.074 691 2HBD HEM 95 2HBD HEM 95 27.687 12.136 -15.824 Start of MODEL 11 1 H VAL 4 HN VAL 4 2.515 -1.313 -8.798 2 HA VAL 4 HA VAL 4 4.036 0.806 -7.552 3 HB VAL 4 HB VAL 4 4.590 -0.696 -9.632 4 1HG1 VAL 4 1HG1 VAL 4 3.066 1.593 -10.922 5 2HG1 VAL 4 2HG1 VAL 4 4.054 0.380 -11.772 6 3HG1 VAL 4 3HG1 VAL 4 2.576 -0.118 -10.914 7 1HG2 VAL 4 1HG2 VAL 4 5.363 2.031 -10.343 8 2HG2 VAL 4 2HG2 VAL 4 5.561 1.700 -8.605 9 3HG2 VAL 4 3HG2 VAL 4 6.364 0.661 -9.807 10 H LYS 5 HN LYS 5 3.785 3.080 -8.650 11 HA LYS 5 HA LYS 5 0.901 3.634 -8.756 12 1HB LYS 5 2HB LYS 5 3.098 4.836 -7.228 13 2HB LYS 5 3HB LYS 5 2.159 6.020 -8.116 14 1HG LYS 5 2HG LYS 5 0.530 3.935 -6.745 15 2HG LYS 5 3HG LYS 5 1.443 4.967 -5.663 16 1HD LYS 5 2HD LYS 5 -0.694 6.040 -6.000 17 2HD LYS 5 3HD LYS 5 0.487 6.986 -6.884 18 1HE LYS 5 2HE LYS 5 -0.134 5.732 -8.989 19 2HE LYS 5 3HE LYS 5 -1.367 4.874 -8.087 20 1HZ LYS 5 1HZ LYS 5 -2.410 6.691 -9.069 21 2HZ LYS 5 2HZ LYS 5 -2.240 7.131 -7.506 22 3HZ LYS 5 3HZ LYS 5 -1.241 7.748 -8.640 23 H TYR 6 HN TYR 6 0.126 4.336 -10.670 24 HA TYR 6 HA TYR 6 2.099 5.171 -12.664 25 1HB TYR 6 2HB TYR 6 -0.876 4.363 -12.737 26 2HB TYR 6 3HB TYR 6 0.075 4.705 -14.169 27 HD1 TYR 6 HD1 TYR 6 2.559 3.296 -13.827 28 HD2 TYR 6 HD2 TYR 6 -1.372 2.102 -12.634 29 HE1 TYR 6 HE1 TYR 6 3.260 0.854 -13.939 30 HE2 TYR 6 HE2 TYR 6 -0.658 -0.336 -12.749 31 HH TYR 6 HH TYR 6 2.467 -1.299 -12.784 32 H TYR 7 HN TYR 7 2.321 7.291 -13.164 33 HA TYR 7 HA TYR 7 0.112 9.068 -12.389 34 1HB TYR 7 2HB TYR 7 3.024 9.751 -13.073 35 2HB TYR 7 3HB TYR 7 1.914 10.716 -12.121 36 HD1 TYR 7 HD1 TYR 7 4.795 8.972 -11.804 37 HD2 TYR 7 HD2 TYR 7 0.894 9.063 -10.049 38 HE1 TYR 7 HE1 TYR 7 5.722 7.946 -9.671 39 HE2 TYR 7 HE2 TYR 7 1.834 8.037 -7.922 40 HH TYR 7 HH TYR 7 3.750 7.673 -6.798 41 H THR 8 HN THR 8 -0.557 10.740 -13.839 42 HA THR 8 HA THR 8 -0.360 9.971 -16.593 43 HB THR 8 HB THR 8 -1.811 12.150 -16.746 44 HG1 THR 8 HG1 THR 8 -2.195 11.730 -13.949 45 1HG2 THR 8 1HG2 THR 8 -2.813 9.816 -16.544 46 2HG2 THR 8 2HG2 THR 8 -2.744 9.999 -14.775 47 3HG2 THR 8 3HG2 THR 8 -3.780 11.076 -15.743 48 H LEU 9 HN LEU 9 0.339 11.362 -18.354 49 HA LEU 9 HA LEU 9 2.928 12.323 -17.895 50 1HB LEU 9 2HB LEU 9 3.033 12.656 -20.156 51 2HB LEU 9 3HB LEU 9 1.829 11.390 -20.018 52 HG LEU 9 HG LEU 9 1.247 14.335 -20.442 53 1HD1 LEU 9 1HD1 LEU 9 1.599 12.032 -22.303 54 2HD1 LEU 9 2HD1 LEU 9 0.316 13.212 -22.665 55 3HD1 LEU 9 3HD1 LEU 9 2.004 13.753 -22.509 56 1HD2 LEU 9 1HD2 LEU 9 -0.472 13.030 -19.130 57 2HD2 LEU 9 2HD2 LEU 9 -1.051 13.786 -20.633 58 3HD2 LEU 9 3HD2 LEU 9 -0.713 12.038 -20.588 59 H GLU 10 HN GLU 10 -0.153 13.690 -17.235 60 HA GLU 10 HA GLU 10 0.476 16.369 -17.764 61 1HB GLU 10 2HB GLU 10 -1.720 14.837 -16.577 62 2HB GLU 10 3HB GLU 10 -1.439 16.321 -15.686 63 1HG GLU 10 2HG GLU 10 -1.442 16.514 -18.689 64 2HG GLU 10 3HG GLU 10 -2.986 16.224 -17.912 65 H GLU 11 HN GLU 11 0.964 14.174 -14.986 66 HA GLU 11 HA GLU 11 1.495 16.093 -13.080 67 1HB GLU 11 2HB GLU 11 1.734 13.219 -13.370 68 2HB GLU 11 3HB GLU 11 3.173 13.830 -12.581 69 1HG GLU 11 2HG GLU 11 1.908 13.748 -10.677 70 2HG GLU 11 3HG GLU 11 1.240 15.264 -11.249 71 H ILE 12 HN ILE 12 3.999 14.021 -14.721 72 HA ILE 12 HA ILE 12 6.224 15.282 -14.008 73 HB ILE 12 HB ILE 12 6.769 14.835 -16.639 74 1HG1 ILE 12 2HG1 ILE 12 4.167 14.195 -16.657 75 2HG1 ILE 12 3HG1 ILE 12 5.357 13.401 -17.669 76 1HG2 ILE 12 1HG2 ILE 12 6.808 13.198 -14.151 77 2HG2 ILE 12 2HG2 ILE 12 7.109 12.366 -15.695 78 3HG2 ILE 12 3HG2 ILE 12 8.142 13.731 -15.203 79 1HD1 ILE 12 1HD1 ILE 12 4.998 12.287 -14.906 80 2HD1 ILE 12 2HD1 ILE 12 3.674 12.023 -16.068 81 3HD1 ILE 12 3HD1 ILE 12 5.315 11.441 -16.440 82 H GLN 13 HN GLN 13 4.005 16.383 -16.646 83 HA GLN 13 HA GLN 13 5.506 18.507 -17.476 84 1HB GLN 13 2HB GLN 13 2.516 17.997 -17.413 85 2HB GLN 13 3HB GLN 13 3.152 19.491 -18.071 86 1HG GLN 13 2HG GLN 13 4.579 17.095 -19.068 87 2HG GLN 13 3HG GLN 13 2.873 17.086 -19.465 88 1HE2 GLN 13 1HE2 GLN 13 2.886 17.561 -21.559 89 2HE2 GLN 13 2HE2 GLN 13 3.522 19.006 -22.275 90 H LYS 14 HN LYS 14 2.461 19.057 -15.598 91 HA LYS 14 HA LYS 14 3.056 21.543 -14.710 92 1HB LYS 14 2HB LYS 14 1.415 21.133 -12.926 93 2HB LYS 14 3HB LYS 14 0.866 20.539 -14.480 94 1HG LYS 14 2HG LYS 14 1.977 18.255 -13.680 95 2HG LYS 14 3HG LYS 14 1.830 18.959 -12.082 96 1HD LYS 14 2HD LYS 14 -0.678 19.488 -13.047 97 2HD LYS 14 3HD LYS 14 -0.315 18.035 -13.957 98 1HE LYS 14 2HE LYS 14 -1.068 16.946 -12.086 99 2HE LYS 14 3HE LYS 14 0.540 17.260 -11.464 100 1HZ LYS 14 1HZ LYS 14 -0.609 19.513 -10.832 101 2HZ LYS 14 2HZ LYS 14 -1.948 18.579 -10.827 102 3HZ LYS 14 3HZ LYS 14 -0.690 18.206 -9.856 103 H HIS 15 HN HIS 15 4.457 18.481 -13.681 104 HA HIS 15 HA HIS 15 5.647 19.770 -11.364 105 1HB HIS 15 2HB HIS 15 5.666 16.886 -12.299 106 2HB HIS 15 3HB HIS 15 6.465 17.469 -10.853 107 HD1 HIS 15 HD1 HIS 15 4.496 19.071 -9.353 108 HD2 HIS 15 HD2 HIS 15 3.316 15.722 -11.587 109 HE1 HIS 15 HE1 HIS 15 2.259 18.318 -8.384 110 H LYS 16 HN LYS 16 6.472 20.972 -13.710 111 HA LYS 16 HA LYS 16 9.115 19.781 -14.175 112 1HB LYS 16 2HB LYS 16 7.550 19.995 -16.139 113 2HB LYS 16 3HB LYS 16 7.626 21.735 -15.949 114 1HG LYS 16 2HG LYS 16 10.281 21.258 -15.953 115 2HG LYS 16 3HG LYS 16 9.785 19.821 -16.825 116 1HD LYS 16 2HD LYS 16 9.544 21.040 -18.719 117 2HD LYS 16 3HD LYS 16 8.307 22.011 -17.945 118 1HE LYS 16 2HE LYS 16 10.780 22.939 -16.873 119 2HE LYS 16 3HE LYS 16 11.065 22.726 -18.589 120 1HZ LYS 16 1HZ LYS 16 8.607 23.892 -18.398 121 2HZ LYS 16 2HZ LYS 16 9.519 24.681 -17.296 122 3HZ LYS 16 3HZ LYS 16 9.997 24.616 -18.856 123 H ASP 17 HN ASP 17 8.218 21.413 -11.823 124 HA ASP 17 HA ASP 17 10.001 23.671 -12.305 125 1HB ASP 17 2HB ASP 17 8.694 24.747 -10.354 126 2HB ASP 17 3HB ASP 17 7.868 24.639 -11.896 127 H SER 18 HN SER 18 10.946 24.463 -10.027 128 HA SER 18 HA SER 18 12.420 22.416 -8.977 129 1HB SER 18 2HB SER 18 12.038 25.255 -8.505 130 2HB SER 18 3HB SER 18 12.191 24.433 -6.965 131 HG SER 18 HG SER 18 14.292 24.404 -7.342 132 H LYS 19 HN LYS 19 9.431 24.021 -7.693 133 HA LYS 19 HA LYS 19 9.174 22.877 -5.283 134 1HB LYS 19 2HB LYS 19 7.565 24.340 -6.933 135 2HB LYS 19 3HB LYS 19 6.693 22.821 -6.895 136 1HG LYS 19 2HG LYS 19 6.159 23.016 -4.660 137 2HG LYS 19 3HG LYS 19 7.702 23.734 -4.241 138 1HD LYS 19 2HD LYS 19 6.134 25.497 -3.925 139 2HD LYS 19 3HD LYS 19 6.890 25.866 -5.462 140 1HE LYS 19 2HE LYS 19 4.984 25.316 -6.701 141 2HE LYS 19 3HE LYS 19 4.429 24.133 -5.533 142 1HZ LYS 19 1HZ LYS 19 4.267 26.328 -4.097 143 2HZ LYS 19 2HZ LYS 19 4.013 26.978 -5.573 144 3HZ LYS 19 3HZ LYS 19 3.037 25.788 -5.026 145 H SER 20 HN SER 20 8.210 21.343 -8.425 146 HA SER 20 HA SER 20 8.640 18.797 -7.104 147 1HB SER 20 2HB SER 20 6.117 19.718 -8.493 148 2HB SER 20 3HB SER 20 6.555 18.022 -8.555 149 HG SER 20 HG SER 20 5.652 17.875 -6.625 150 H THR 21 HN THR 21 10.558 18.412 -8.280 151 HA THR 21 HA THR 21 10.396 18.642 -11.195 152 HB THR 21 HB THR 21 12.613 18.509 -9.117 153 HG1 THR 21 HG1 THR 21 11.424 20.480 -10.074 154 1HG2 THR 21 1HG2 THR 21 13.638 18.835 -11.799 155 2HG2 THR 21 2HG2 THR 21 14.080 17.591 -10.605 156 3HG2 THR 21 3HG2 THR 21 12.737 17.300 -11.738 157 H TRP 22 HN TRP 22 9.706 16.934 -12.308 158 HA TRP 22 HA TRP 22 10.448 14.294 -11.243 159 1HB TRP 22 2HB TRP 22 7.897 15.336 -12.370 160 2HB TRP 22 3HB TRP 22 8.351 13.691 -12.772 161 HD1 TRP 22 HD1 TRP 22 9.347 14.862 -9.281 162 HE1 TRP 22 HE1 TRP 22 7.896 13.704 -7.405 163 HE3 TRP 22 HE3 TRP 22 5.972 12.765 -12.453 164 HZ2 TRP 22 HZ2 TRP 22 5.552 12.077 -7.458 165 HZ3 TRP 22 HZ3 TRP 22 4.132 11.406 -11.459 166 HH2 TRP 22 HH2 TRP 22 3.892 11.048 -9.053 167 H VAL 23 HN VAL 23 10.880 12.652 -12.959 168 HA VAL 23 HA VAL 23 11.230 13.595 -15.639 169 HB VAL 23 HB VAL 23 13.208 14.563 -14.750 170 1HG1 VAL 23 1HG1 VAL 23 14.026 11.889 -13.582 171 2HG1 VAL 23 2HG1 VAL 23 14.794 13.477 -13.346 172 3HG1 VAL 23 3HG1 VAL 23 13.193 13.150 -12.640 173 1HG2 VAL 23 1HG2 VAL 23 14.783 12.389 -15.710 174 2HG2 VAL 23 2HG2 VAL 23 13.269 12.418 -16.646 175 3HG2 VAL 23 3HG2 VAL 23 14.296 13.871 -16.567 176 H ILE 24 HN ILE 24 10.472 11.914 -16.805 177 HA ILE 24 HA ILE 24 10.151 9.365 -15.677 178 HB ILE 24 HB ILE 24 10.011 10.325 -18.535 179 1HG1 ILE 24 2HG1 ILE 24 7.549 9.660 -17.050 180 2HG1 ILE 24 3HG1 ILE 24 8.417 11.051 -16.427 181 1HG2 ILE 24 1HG2 ILE 24 10.371 7.798 -18.099 182 2HG2 ILE 24 2HG2 ILE 24 8.695 7.826 -17.502 183 3HG2 ILE 24 3HG2 ILE 24 9.052 8.312 -19.176 184 1HD1 ILE 24 1HD1 ILE 24 8.414 11.205 -19.315 185 2HD1 ILE 24 2HD1 ILE 24 6.751 10.921 -18.747 186 3HD1 ILE 24 3HD1 ILE 24 7.670 12.320 -18.143 187 H LEU 25 HN LEU 25 11.741 7.962 -15.173 188 HA LEU 25 HA LEU 25 14.004 7.829 -17.043 189 1HB LEU 25 2HB LEU 25 13.945 8.358 -14.212 190 2HB LEU 25 3HB LEU 25 14.814 6.868 -14.523 191 HG LEU 25 HG LEU 25 16.412 7.963 -15.909 192 1HD1 LEU 25 1HD1 LEU 25 16.033 10.630 -16.047 193 2HD1 LEU 25 2HD1 LEU 25 15.507 9.486 -17.305 194 3HD1 LEU 25 3HD1 LEU 25 14.342 10.074 -16.094 195 1HD2 LEU 25 1HD2 LEU 25 15.831 9.683 -13.483 196 2HD2 LEU 25 2HD2 LEU 25 16.816 8.201 -13.531 197 3HD2 LEU 25 3HD2 LEU 25 17.361 9.660 -14.394 198 H HIS 26 HN HIS 26 14.130 5.935 -18.112 199 HA HIS 26 HA HIS 26 13.473 3.905 -18.743 200 1HB HIS 26 2HB HIS 26 14.224 2.907 -16.021 201 2HB HIS 26 3HB HIS 26 14.605 2.243 -17.597 202 HD1 HIS 26 HD1 HIS 26 15.469 5.428 -15.626 203 HD2 HIS 26 HD2 HIS 26 17.186 2.718 -18.329 204 HE1 HIS 26 HE1 HIS 26 17.897 6.155 -15.921 205 H HIS 27 HN HIS 27 11.164 5.136 -18.309 206 HA HIS 27 HA HIS 27 9.051 4.903 -17.764 207 1HB HIS 27 2HB HIS 27 9.564 1.966 -17.284 208 2HB HIS 27 3HB HIS 27 8.088 2.732 -17.837 209 HD1 HIS 27 HD1 HIS 27 10.032 0.469 -19.279 210 HD2 HIS 27 HD2 HIS 27 9.443 4.482 -20.352 211 HE1 HIS 27 HE1 HIS 27 10.636 0.644 -21.752 212 H LYS 28 HN LYS 28 10.449 6.002 -15.732 213 HA LYS 28 HA LYS 28 8.886 5.335 -13.494 214 1HB LYS 28 2HB LYS 28 11.095 3.651 -13.774 215 2HB LYS 28 3HB LYS 28 11.621 4.846 -12.605 216 1HG LYS 28 2HG LYS 28 10.379 3.826 -11.009 217 2HG LYS 28 3HG LYS 28 8.923 4.189 -11.913 218 1HD LYS 28 2HD LYS 28 8.684 2.025 -12.569 219 2HD LYS 28 3HD LYS 28 10.339 1.943 -13.140 220 1HE LYS 28 2HE LYS 28 10.905 1.834 -10.525 221 2HE LYS 28 3HE LYS 28 9.245 1.289 -10.397 222 1HZ LYS 28 1HZ LYS 28 9.943 -0.677 -11.045 223 2HZ LYS 28 2HZ LYS 28 10.384 -0.078 -12.500 224 3HZ LYS 28 3HZ LYS 28 11.467 -0.139 -11.280 225 H VAL 29 HN VAL 29 8.394 7.460 -13.169 226 HA VAL 29 HA VAL 29 10.170 9.556 -13.662 227 HB VAL 29 HB VAL 29 8.523 10.935 -12.636 228 1HG1 VAL 29 1HG1 VAL 29 6.660 8.873 -13.674 229 2HG1 VAL 29 2HG1 VAL 29 6.885 10.570 -14.159 230 3HG1 VAL 29 3HG1 VAL 29 8.005 9.320 -14.751 231 1HG2 VAL 29 1HG2 VAL 29 6.952 8.603 -11.578 232 2HG2 VAL 29 2HG2 VAL 29 8.315 9.244 -10.628 233 3HG2 VAL 29 3HG2 VAL 29 6.954 10.306 -11.060 234 H TYR 30 HN TYR 30 11.527 10.787 -12.316 235 HA TYR 30 HA TYR 30 12.076 9.527 -9.713 236 1HB TYR 30 2HB TYR 30 13.699 10.696 -12.007 237 2HB TYR 30 3HB TYR 30 14.354 10.895 -10.395 238 HD1 TYR 30 HD1 TYR 30 12.446 7.895 -10.596 239 HD2 TYR 30 HD2 TYR 30 16.268 9.557 -11.563 240 HE1 TYR 30 HE1 TYR 30 13.442 5.558 -10.710 241 HE2 TYR 30 HE2 TYR 30 17.251 7.215 -11.673 242 HH TYR 30 HH TYR 30 15.324 4.407 -10.765 243 H ASP 31 HN ASP 31 11.231 10.779 -8.114 244 HA ASP 31 HA ASP 31 10.865 13.557 -8.560 245 1HB ASP 31 2HB ASP 31 9.238 12.323 -7.221 246 2HB ASP 31 3HB ASP 31 10.487 11.743 -6.138 247 H LEU 32 HN LEU 32 13.163 14.211 -8.869 248 HA LEU 32 HA LEU 32 14.823 13.956 -6.476 249 1HB LEU 32 2HB LEU 32 16.680 14.470 -7.886 250 2HB LEU 32 3HB LEU 32 15.751 13.163 -8.591 251 HG LEU 32 HG LEU 32 14.847 15.698 -9.651 252 1HD1 LEU 32 1HD1 LEU 32 17.604 15.264 -10.618 253 2HD1 LEU 32 2HD1 LEU 32 16.693 16.771 -10.354 254 3HD1 LEU 32 3HD1 LEU 32 17.464 15.946 -8.979 255 1HD2 LEU 32 1HD2 LEU 32 16.201 13.326 -10.964 256 2HD2 LEU 32 2HD2 LEU 32 14.455 13.502 -10.671 257 3HD2 LEU 32 3HD2 LEU 32 15.286 14.612 -11.786 258 H THR 33 HN THR 33 12.607 15.629 -6.168 259 HA THR 33 HA THR 33 13.074 18.294 -6.894 260 HB THR 33 HB THR 33 11.561 17.127 -4.498 261 HG1 THR 33 HG1 THR 33 9.831 17.253 -6.212 262 1HG2 THR 33 1HG2 THR 33 10.636 19.483 -6.131 263 2HG2 THR 33 2HG2 THR 33 10.377 19.137 -4.404 264 3HG2 THR 33 3HG2 THR 33 11.942 19.778 -4.959 265 H LYS 34 HN LYS 34 13.948 16.462 -3.902 266 HA LYS 34 HA LYS 34 15.187 18.731 -2.735 267 1HB LYS 34 2HB LYS 34 15.737 15.870 -1.964 268 2HB LYS 34 3HB LYS 34 15.724 17.300 -0.951 269 1HG LYS 34 2HG LYS 34 13.551 16.895 -0.454 270 2HG LYS 34 3HG LYS 34 13.133 17.183 -2.130 271 1HD LYS 34 2HD LYS 34 14.200 14.584 -2.169 272 2HD LYS 34 3HD LYS 34 13.314 14.632 -0.657 273 1HE LYS 34 2HE LYS 34 11.301 14.602 -1.725 274 2HE LYS 34 3HE LYS 34 11.770 15.899 -2.806 275 1HZ LYS 34 1HZ LYS 34 11.691 14.248 -4.287 276 2HZ LYS 34 2HZ LYS 34 13.207 13.919 -3.777 277 3HZ LYS 34 3HZ LYS 34 11.945 13.058 -3.197 278 H TYR 35 HN TYR 35 16.274 15.940 -4.719 279 HA TYR 35 HA TYR 35 19.022 16.857 -4.541 280 1HB TYR 35 2HB TYR 35 18.284 14.417 -4.482 281 2HB TYR 35 3HB TYR 35 17.544 14.615 -6.058 282 HD1 TYR 35 HD1 TYR 35 18.843 14.491 -8.069 283 HD2 TYR 35 HD2 TYR 35 20.784 14.508 -4.257 284 HE1 TYR 35 HE1 TYR 35 21.033 13.817 -9.173 285 HE2 TYR 35 HE2 TYR 35 22.967 13.834 -5.372 286 HH TYR 35 HH TYR 35 23.730 12.776 -7.337 287 H LEU 36 HN LEU 36 16.852 18.526 -5.860 288 HA LEU 36 HA LEU 36 17.476 18.328 -8.663 289 1HB LEU 36 2HB LEU 36 15.242 18.861 -8.094 290 2HB LEU 36 3HB LEU 36 15.736 20.139 -7.002 291 HG LEU 36 HG LEU 36 14.751 20.908 -9.171 292 1HD1 LEU 36 1HD1 LEU 36 16.958 21.914 -7.732 293 2HD1 LEU 36 2HD1 LEU 36 17.325 22.161 -9.456 294 3HD1 LEU 36 3HD1 LEU 36 15.818 22.809 -8.765 295 1HD2 LEU 36 1HD2 LEU 36 17.155 19.476 -10.253 296 2HD2 LEU 36 2HD2 LEU 36 15.476 19.499 -10.844 297 3HD2 LEU 36 3HD2 LEU 36 16.524 20.915 -11.091 298 H GLU 37 HN GLU 37 18.075 20.642 -5.939 299 HA GLU 37 HA GLU 37 19.891 22.076 -7.651 300 1HB GLU 37 2HB GLU 37 20.008 23.700 -5.808 301 2HB GLU 37 3HB GLU 37 18.337 23.333 -6.187 302 1HG GLU 37 2HG GLU 37 17.976 22.201 -4.192 303 2HG GLU 37 3HG GLU 37 19.619 21.599 -4.105 304 H GLU 38 HN GLU 38 19.993 19.327 -5.705 305 HA GLU 38 HA GLU 38 22.588 19.870 -4.603 306 1HB GLU 38 2HB GLU 38 20.414 18.102 -4.001 307 2HB GLU 38 3HB GLU 38 21.804 17.096 -4.358 308 1HG GLU 38 2HG GLU 38 23.130 18.712 -2.777 309 2HG GLU 38 3HG GLU 38 21.555 19.260 -2.236 310 H HIS 39 HN HIS 39 21.140 18.459 -7.458 311 HA HIS 39 HA HIS 39 22.937 16.540 -8.171 312 1HB HIS 39 2HB HIS 39 20.776 17.332 -9.311 313 2HB HIS 39 3HB HIS 39 21.769 18.524 -10.128 314 HD1 HIS 39 HD1 HIS 39 21.807 17.632 -12.487 315 HD2 HIS 39 HD2 HIS 39 22.759 14.700 -9.642 316 HE1 HIS 39 HE1 HIS 39 22.536 15.570 -13.801 317 HA PRO 40 HA PRO 40 26.616 18.824 -8.623 318 1HB PRO 40 2HB PRO 40 28.244 16.771 -9.401 319 2HB PRO 40 3HB PRO 40 27.874 17.118 -7.724 320 1HG PRO 40 2HG PRO 40 26.839 14.943 -9.438 321 2HG PRO 40 3HG PRO 40 26.826 15.064 -7.689 322 1HD PRO 40 2HD PRO 40 24.608 15.495 -9.457 323 2HD PRO 40 3HD PRO 40 24.625 15.728 -7.721 324 H GLY 41 HN GLY 41 25.233 16.890 -11.132 325 1HA GLY 41 1HA GLY 41 26.906 17.776 -13.227 326 2HA GLY 41 2HA GLY 41 25.307 17.075 -13.373 327 H GLY 42 HN GLY 42 23.419 18.628 -12.654 328 1HA GLY 42 1HA GLY 42 23.839 21.428 -12.780 329 2HA GLY 42 2HA GLY 42 23.374 20.820 -14.357 330 H GLU 43 HN GLU 43 21.859 22.583 -12.471 331 HA GLU 43 HA GLU 43 19.765 20.872 -11.516 332 1HB GLU 43 2HB GLU 43 18.820 22.913 -10.555 333 2HB GLU 43 3HB GLU 43 20.533 22.844 -10.197 334 1HG GLU 43 2HG GLU 43 20.826 24.260 -12.395 335 2HG GLU 43 3HG GLU 43 19.111 24.584 -12.241 336 H GLU 44 HN GLU 44 20.533 22.886 -14.307 337 HA GLU 44 HA GLU 44 17.838 23.179 -15.126 338 1HB GLU 44 2HB GLU 44 20.452 23.565 -16.651 339 2HB GLU 44 3HB GLU 44 18.874 24.042 -17.247 340 1HG GLU 44 2HG GLU 44 18.968 25.177 -14.676 341 2HG GLU 44 3HG GLU 44 20.607 25.373 -15.264 342 H VAL 45 HN VAL 45 20.666 21.212 -16.295 343 HA VAL 45 HA VAL 45 19.579 19.876 -18.340 344 HB VAL 45 HB VAL 45 21.758 19.352 -17.924 345 1HG1 VAL 45 1HG1 VAL 45 22.389 18.372 -15.539 346 2HG1 VAL 45 2HG1 VAL 45 22.293 20.125 -15.829 347 3HG1 VAL 45 3HG1 VAL 45 20.938 19.277 -15.045 348 1HG2 VAL 45 1HG2 VAL 45 20.784 16.912 -16.491 349 2HG2 VAL 45 2HG2 VAL 45 20.130 17.257 -18.111 350 3HG2 VAL 45 3HG2 VAL 45 21.884 17.062 -17.883 351 H LEU 46 HN LEU 46 18.677 19.619 -14.926 352 HA LEU 46 HA LEU 46 17.114 17.235 -15.413 353 1HB LEU 46 2HB LEU 46 17.035 18.854 -12.895 354 2HB LEU 46 3HB LEU 46 16.812 17.130 -13.120 355 HG LEU 46 HG LEU 46 19.493 18.365 -13.689 356 1HD1 LEU 46 1HD1 LEU 46 18.620 17.487 -10.926 357 2HD1 LEU 46 2HD1 LEU 46 20.187 18.177 -11.410 358 3HD1 LEU 46 3HD1 LEU 46 18.721 19.184 -11.453 359 1HD2 LEU 46 1HD2 LEU 46 18.376 15.656 -13.232 360 2HD2 LEU 46 2HD2 LEU 46 19.708 16.195 -14.282 361 3HD2 LEU 46 3HD2 LEU 46 19.983 15.982 -12.536 362 H ARG 47 HN ARG 47 16.488 20.645 -14.314 363 HA ARG 47 HA ARG 47 13.752 20.412 -14.514 364 1HB ARG 47 2HB ARG 47 15.583 22.851 -14.741 365 2HB ARG 47 3HB ARG 47 13.839 22.979 -14.632 366 1HG ARG 47 2HG ARG 47 14.218 21.374 -12.496 367 2HG ARG 47 3HG ARG 47 15.816 22.094 -12.535 368 1HD ARG 47 2HD ARG 47 13.378 23.887 -12.723 369 2HD ARG 47 3HD ARG 47 13.866 23.265 -11.160 370 HE ARG 47 HE ARG 47 16.208 24.288 -12.372 371 1HH1 ARG 47 1HH1 ARG 47 15.950 27.589 -11.266 372 2HH1 ARG 47 2HH1 ARG 47 17.013 26.375 -11.898 373 1HH2 ARG 47 1HH2 ARG 47 13.712 27.096 -10.902 374 2HH2 ARG 47 2HH2 ARG 47 13.103 25.516 -11.262 375 H GLU 48 HN GLU 48 16.120 22.001 -16.787 376 HA GLU 48 HA GLU 48 14.611 22.875 -18.720 377 1HB GLU 48 2HB GLU 48 17.073 22.835 -18.818 378 2HB GLU 48 3HB GLU 48 17.066 21.106 -19.107 379 1HG GLU 48 2HG GLU 48 15.398 21.939 -21.127 380 2HG GLU 48 3HG GLU 48 16.430 23.349 -20.981 381 H GLN 49 HN GLN 49 15.322 19.373 -18.194 382 HA GLN 49 HA GLN 49 13.025 18.830 -19.897 383 1HB GLN 49 2HB GLN 49 14.202 16.814 -20.782 384 2HB GLN 49 3HB GLN 49 15.004 18.306 -21.229 385 1HG GLN 49 2HG GLN 49 16.316 17.816 -18.898 386 2HG GLN 49 3HG GLN 49 15.893 16.168 -19.316 387 1HE2 GLN 49 1HE2 GLN 49 18.473 17.598 -19.240 388 2HE2 GLN 49 2HE2 GLN 49 19.206 17.392 -20.796 389 H ALA 50 HN ALA 50 12.553 19.095 -17.269 390 HA ALA 50 HA ALA 50 13.082 16.716 -15.791 391 1HB ALA 50 1HB ALA 50 12.822 18.487 -14.358 392 2HB ALA 50 2HB ALA 50 11.654 19.312 -15.415 393 3HB ALA 50 3HB ALA 50 11.126 17.950 -14.398 394 H GLY 51 HN GLY 51 9.780 18.051 -16.040 395 1HA GLY 51 1HA GLY 51 8.369 15.777 -15.939 396 2HA GLY 51 2HA GLY 51 7.868 17.168 -16.881 397 H GLY 52 HN GLY 52 10.196 17.001 -18.768 398 1HA GLY 52 1HA GLY 52 9.038 15.420 -20.758 399 2HA GLY 52 2HA GLY 52 10.660 16.083 -20.765 400 H ASP 53 HN ASP 53 11.885 14.349 -21.488 401 HA ASP 53 HA ASP 53 11.822 12.033 -19.729 402 1HB ASP 53 2HB ASP 53 12.116 10.539 -21.647 403 2HB ASP 53 3HB ASP 53 10.666 11.496 -21.880 404 H ALA 54 HN ALA 54 13.857 12.071 -18.754 405 HA ALA 54 HA ALA 54 16.113 12.957 -20.416 406 1HB ALA 54 1HB ALA 54 16.114 12.822 -17.396 407 2HB ALA 54 2HB ALA 54 17.098 13.838 -18.476 408 3HB ALA 54 3HB ALA 54 15.371 14.202 -18.239 409 H THR 55 HN THR 55 14.824 10.258 -20.414 410 HA THR 55 HA THR 55 16.233 8.447 -18.841 411 HB THR 55 HB THR 55 14.930 8.255 -21.605 412 HG1 THR 55 HG1 THR 55 14.199 8.433 -18.926 413 1HG2 THR 55 1HG2 THR 55 16.635 6.338 -20.786 414 2HG2 THR 55 2HG2 THR 55 15.271 5.912 -19.725 415 3HG2 THR 55 3HG2 THR 55 15.057 5.912 -21.492 416 H GLU 56 HN GLU 56 16.847 9.033 -22.368 417 HA GLU 56 HA GLU 56 19.307 7.779 -22.275 418 1HB GLU 56 2HB GLU 56 18.201 9.858 -24.210 419 2HB GLU 56 3HB GLU 56 19.687 8.972 -24.490 420 1HG GLU 56 2HG GLU 56 18.399 7.369 -25.461 421 2HG GLU 56 3HG GLU 56 17.888 6.935 -23.841 422 H ASN 57 HN ASN 57 18.322 11.182 -21.736 423 HA ASN 57 HA ASN 57 20.837 12.302 -21.881 424 1HB ASN 57 2HB ASN 57 18.192 13.019 -20.655 425 2HB ASN 57 3HB ASN 57 19.576 13.869 -19.996 426 1HD2 ASN 57 1HD2 ASN 57 17.750 13.135 -22.900 427 2HD2 ASN 57 2HD2 ASN 57 18.273 14.477 -23.861 428 H PHE 58 HN PHE 58 19.242 10.278 -19.477 429 HA PHE 58 HA PHE 58 21.073 11.055 -17.370 430 1HB PHE 58 2HB PHE 58 18.861 10.608 -16.584 431 2HB PHE 58 3HB PHE 58 18.592 9.353 -17.777 432 HD1 PHE 58 HD1 PHE 58 19.474 10.047 -14.398 433 HD2 PHE 58 HD2 PHE 58 19.852 7.136 -17.462 434 HE1 PHE 58 HE1 PHE 58 19.984 8.298 -12.672 435 HE2 PHE 58 HE2 PHE 58 20.364 5.386 -15.736 436 HZ PHE 58 HZ PHE 58 20.423 5.988 -13.362 437 H GLU 59 HN GLU 59 20.347 8.287 -19.556 438 HA GLU 59 HA GLU 59 22.291 6.644 -18.308 439 1HB GLU 59 2HB GLU 59 20.801 6.376 -20.955 440 2HB GLU 59 3HB GLU 59 21.834 5.131 -20.283 441 1HG GLU 59 2HG GLU 59 20.356 5.321 -18.136 442 2HG GLU 59 3HG GLU 59 19.230 6.212 -19.142 443 H ASP 60 HN ASP 60 22.153 8.880 -21.091 444 HA ASP 60 HA ASP 60 24.408 8.070 -22.404 445 1HB ASP 60 2HB ASP 60 22.770 9.796 -23.196 446 2HB ASP 60 3HB ASP 60 23.373 10.914 -21.989 447 H VAL 61 HN VAL 61 23.931 10.338 -19.623 448 HA VAL 61 HA VAL 61 26.659 11.103 -19.480 449 HB VAL 61 HB VAL 61 26.021 12.249 -17.504 450 1HG1 VAL 61 1HG1 VAL 61 23.628 13.145 -18.332 451 2HG1 VAL 61 2HG1 VAL 61 25.152 13.567 -19.149 452 3HG1 VAL 61 3HG1 VAL 61 24.122 12.270 -19.801 453 1HG2 VAL 61 1HG2 VAL 61 23.259 11.375 -17.213 454 2HG2 VAL 61 2HG2 VAL 61 24.402 10.028 -16.989 455 3HG2 VAL 61 3HG2 VAL 61 24.552 11.498 -15.995 456 H GLY 62 HN GLY 62 24.924 8.237 -18.669 457 1HA GLY 62 1HA GLY 62 25.512 6.357 -17.590 458 2HA GLY 62 2HA GLY 62 27.179 6.862 -17.782 459 H HIS 63 HN HIS 63 24.291 7.044 -15.669 460 HA HIS 63 HA HIS 63 25.587 8.504 -13.630 461 1HB HIS 63 2HB HIS 63 23.032 6.937 -13.860 462 2HB HIS 63 3HB HIS 63 23.583 7.472 -12.284 463 HD1 HIS 63 HD1 HIS 63 22.968 9.053 -15.732 464 HD2 HIS 63 HD2 HIS 63 22.698 9.972 -11.648 465 HE1 HIS 63 HE1 HIS 63 21.956 11.391 -15.591 466 H SER 64 HN SER 64 26.628 7.806 -11.744 467 HA SER 64 HA SER 64 27.726 5.184 -11.961 468 1HB SER 64 2HB SER 64 28.341 7.685 -10.559 469 2HB SER 64 3HB SER 64 28.519 6.306 -9.493 470 HG SER 64 HG SER 64 30.491 6.417 -10.482 471 H THR 65 HN THR 65 27.909 3.876 -9.747 472 HA THR 65 HA THR 65 25.408 2.936 -9.090 473 HB THR 65 HB THR 65 28.201 2.787 -7.965 474 HG1 THR 65 HG1 THR 65 26.074 0.862 -8.574 475 1HG2 THR 65 1HG2 THR 65 26.548 2.892 -5.962 476 2HG2 THR 65 2HG2 THR 65 25.830 1.404 -6.627 477 3HG2 THR 65 3HG2 THR 65 27.529 1.413 -6.098 478 H ASP 66 HN ASP 66 27.391 5.407 -7.351 479 HA ASP 66 HA ASP 66 25.983 5.762 -5.152 480 1HB ASP 66 2HB ASP 66 26.696 8.143 -6.913 481 2HB ASP 66 3HB ASP 66 26.681 8.084 -5.162 482 H ALA 67 HN ALA 67 25.101 6.837 -8.482 483 HA ALA 67 HA ALA 67 22.841 8.343 -7.730 484 1HB ALA 67 1HB ALA 67 24.112 8.524 -9.885 485 2HB ALA 67 2HB ALA 67 23.447 6.944 -10.365 486 3HB ALA 67 3HB ALA 67 22.357 8.329 -10.114 487 H ARG 68 HN ARG 68 23.303 4.937 -8.880 488 HA ARG 68 HA ARG 68 20.759 4.178 -9.104 489 1HB ARG 68 2HB ARG 68 23.131 2.668 -7.914 490 2HB ARG 68 3HB ARG 68 21.600 1.877 -8.239 491 1HG ARG 68 2HG ARG 68 22.129 3.273 -10.622 492 2HG ARG 68 3HG ARG 68 23.713 2.712 -10.122 493 1HD ARG 68 2HD ARG 68 22.620 0.383 -9.777 494 2HD ARG 68 3HD ARG 68 21.225 1.022 -10.624 495 HE ARG 68 HE ARG 68 23.849 0.386 -11.792 496 1HH1 ARG 68 1HH1 ARG 68 22.796 1.266 -15.002 497 2HH1 ARG 68 2HH1 ARG 68 24.034 0.493 -14.068 498 1HH2 ARG 68 1HH2 ARG 68 20.951 2.192 -13.942 499 2HH2 ARG 68 2HH2 ARG 68 20.811 2.111 -12.218 500 H GLU 69 HN GLU 69 22.600 4.787 -6.103 501 HA GLU 69 HA GLU 69 20.716 3.570 -4.405 502 1HB GLU 69 2HB GLU 69 23.166 5.252 -4.114 503 2HB GLU 69 3HB GLU 69 22.038 5.330 -2.776 504 1HG GLU 69 2HG GLU 69 23.204 2.762 -3.953 505 2HG GLU 69 3HG GLU 69 23.722 3.518 -2.459 506 H LEU 70 HN LEU 70 21.496 7.046 -5.153 507 HA LEU 70 HA LEU 70 19.410 8.113 -3.656 508 1HB LEU 70 2HB LEU 70 20.988 9.122 -6.014 509 2HB LEU 70 3HB LEU 70 19.748 10.088 -5.241 510 HG LEU 70 HG LEU 70 21.171 10.759 -3.679 511 1HD1 LEU 70 1HD1 LEU 70 20.592 8.858 -2.319 512 2HD1 LEU 70 2HD1 LEU 70 21.773 7.833 -3.171 513 3HD1 LEU 70 3HD1 LEU 70 22.335 9.182 -2.153 514 1HD2 LEU 70 1HD2 LEU 70 22.763 10.549 -5.607 515 2HD2 LEU 70 2HD2 LEU 70 23.522 10.512 -3.998 516 3HD2 LEU 70 3HD2 LEU 70 23.303 9.001 -4.914 517 H SER 71 HN SER 71 19.585 7.666 -7.264 518 HA SER 71 HA SER 71 17.218 8.394 -8.037 519 1HB SER 71 2HB SER 71 18.619 5.783 -8.739 520 2HB SER 71 3HB SER 71 17.204 6.345 -9.606 521 HG SER 71 HG SER 71 19.851 7.383 -9.587 522 H LYS 72 HN LYS 72 17.787 5.050 -6.697 523 HA LYS 72 HA LYS 72 15.127 4.292 -6.653 524 1HB LYS 72 2HB LYS 72 17.542 3.127 -6.069 525 2HB LYS 72 3HB LYS 72 16.817 3.232 -4.479 526 1HG LYS 72 2HG LYS 72 15.151 1.718 -4.983 527 2HG LYS 72 3HG LYS 72 14.957 2.314 -6.619 528 1HD LYS 72 2HD LYS 72 17.570 0.979 -6.109 529 2HD LYS 72 3HD LYS 72 16.181 -0.076 -5.942 530 1HE LYS 72 2HE LYS 72 15.517 0.206 -8.194 531 2HE LYS 72 3HE LYS 72 16.345 1.741 -8.358 532 1HZ LYS 72 1HZ LYS 72 17.603 -0.907 -8.171 533 2HZ LYS 72 2HZ LYS 72 17.577 0.079 -9.473 534 3HZ LYS 72 3HZ LYS 72 18.439 0.496 -8.150 535 H THR 73 HN THR 73 17.144 5.823 -4.057 536 HA THR 73 HA THR 73 15.117 5.931 -2.144 537 HB THR 73 HB THR 73 17.820 7.047 -2.643 538 HG1 THR 73 HG1 THR 73 17.703 5.538 -1.004 539 1HG2 THR 73 1HG2 THR 73 16.580 9.200 -2.220 540 2HG2 THR 73 2HG2 THR 73 15.879 8.479 -0.750 541 3HG2 THR 73 3HG2 THR 73 17.634 8.761 -0.855 542 H TYR 74 HN TYR 74 15.791 7.982 -4.968 543 HA TYR 74 HA TYR 74 13.697 9.822 -4.080 544 1HB TYR 74 2HB TYR 74 15.923 9.719 -6.187 545 2HB TYR 74 3HB TYR 74 14.661 10.929 -6.319 546 HD1 TYR 74 HD1 TYR 74 17.541 9.784 -4.313 547 HD2 TYR 74 HD2 TYR 74 14.579 12.830 -4.816 548 HE1 TYR 74 HE1 TYR 74 18.824 11.302 -2.727 549 HE2 TYR 74 HE2 TYR 74 15.871 14.338 -3.228 550 HH TYR 74 HH TYR 74 17.455 14.105 -1.417 551 H ILE 75 HN ILE 75 12.792 7.216 -4.757 552 HA ILE 75 HA ILE 75 11.550 7.741 -7.369 553 HB ILE 75 HB ILE 75 13.197 5.749 -7.011 554 1HG1 ILE 75 2HG1 ILE 75 10.526 5.174 -8.309 555 2HG1 ILE 75 3HG1 ILE 75 11.677 6.308 -8.988 556 1HG2 ILE 75 1HG2 ILE 75 11.869 5.025 -4.934 557 2HG2 ILE 75 2HG2 ILE 75 10.679 4.375 -6.087 558 3HG2 ILE 75 3HG2 ILE 75 12.352 3.770 -6.101 559 1HD1 ILE 75 1HD1 ILE 75 12.091 4.173 -10.039 560 2HD1 ILE 75 2HD1 ILE 75 13.430 4.449 -8.899 561 3HD1 ILE 75 3HD1 ILE 75 12.110 3.336 -8.468 562 H ILE 76 HN ILE 76 9.308 7.588 -7.526 563 HA ILE 76 HA ILE 76 7.940 7.033 -4.987 564 HB ILE 76 HB ILE 76 6.501 8.837 -5.286 565 1HG1 ILE 76 2HG1 ILE 76 6.264 8.379 -7.807 566 2HG1 ILE 76 3HG1 ILE 76 6.069 10.025 -7.237 567 1HG2 ILE 76 1HG2 ILE 76 9.342 9.594 -5.962 568 2HG2 ILE 76 2HG2 ILE 76 8.073 10.811 -5.685 569 3HG2 ILE 76 3HG2 ILE 76 8.506 9.666 -4.392 570 1HD1 ILE 76 1HD1 ILE 76 7.509 10.261 -9.099 571 2HD1 ILE 76 2HD1 ILE 76 8.630 10.285 -7.716 572 3HD1 ILE 76 3HD1 ILE 76 8.438 8.801 -8.681 573 H GLY 77 HN GLY 77 7.954 6.935 -8.570 574 1HA GLY 77 1HA GLY 77 6.722 4.456 -8.744 575 2HA GLY 77 2HA GLY 77 5.443 5.649 -8.848 576 H GLU 78 HN GLU 78 5.197 4.732 -11.096 577 HA GLU 78 HA GLU 78 7.135 6.015 -12.861 578 1HB GLU 78 2HB GLU 78 6.738 4.218 -14.495 579 2HB GLU 78 3HB GLU 78 7.295 3.546 -12.975 580 1HG GLU 78 2HG GLU 78 5.350 2.400 -12.641 581 2HG GLU 78 3HG GLU 78 4.362 3.790 -13.040 582 H LEU 79 HN LEU 79 6.148 6.556 -15.095 583 HA LEU 79 HA LEU 79 3.567 7.793 -14.589 584 1HB LEU 79 2HB LEU 79 4.200 9.406 -15.990 585 2HB LEU 79 3HB LEU 79 5.808 8.800 -15.643 586 HG LEU 79 HG LEU 79 5.826 9.032 -17.946 587 1HD1 LEU 79 1HD1 LEU 79 5.870 6.427 -16.898 588 2HD1 LEU 79 2HD1 LEU 79 4.954 6.322 -18.421 589 3HD1 LEU 79 3HD1 LEU 79 6.598 7.006 -18.415 590 1HD2 LEU 79 1HD2 LEU 79 3.511 9.594 -18.305 591 2HD2 LEU 79 2HD2 LEU 79 3.985 8.313 -19.447 592 3HD2 LEU 79 3HD2 LEU 79 3.012 7.910 -18.012 593 H HIS 80 HN HIS 80 1.744 7.510 -15.991 594 HA HIS 80 HA HIS 80 1.080 4.990 -16.599 595 1HB HIS 80 2HB HIS 80 -0.118 7.417 -16.816 596 2HB HIS 80 3HB HIS 80 0.068 7.018 -18.513 597 HD1 HIS 80 HD1 HIS 80 -2.647 6.934 -18.422 598 HD2 HIS 80 HD2 HIS 80 -0.610 3.868 -16.409 599 HE1 HIS 80 HE1 HIS 80 -4.354 5.079 -18.029 600 HA PRO 81 HA PRO 81 3.769 4.091 -19.938 601 1HB PRO 81 2HB PRO 81 3.286 1.403 -20.040 602 2HB PRO 81 3HB PRO 81 4.478 2.123 -18.977 603 1HG PRO 81 2HG PRO 81 1.807 1.047 -18.308 604 2HG PRO 81 3HG PRO 81 3.159 1.370 -17.241 605 1HD PRO 81 2HD PRO 81 0.797 2.967 -17.548 606 2HD PRO 81 3HD PRO 81 2.199 3.348 -16.569 607 H ASP 82 HN ASP 82 0.499 4.229 -19.843 608 HA ASP 82 HA ASP 82 0.051 3.021 -22.371 609 1HB ASP 82 2HB ASP 82 -1.608 3.362 -20.378 610 2HB ASP 82 3HB ASP 82 -1.777 5.005 -20.963 611 H ASP 83 HN ASP 83 0.475 6.318 -20.974 612 HA ASP 83 HA ASP 83 0.157 7.454 -23.617 613 1HB ASP 83 2HB ASP 83 0.345 8.631 -20.814 614 2HB ASP 83 3HB ASP 83 0.458 9.649 -22.236 615 H ARG 84 HN ARG 84 2.532 6.218 -21.481 616 HA ARG 84 HA ARG 84 4.556 8.064 -21.701 617 1HB ARG 84 2HB ARG 84 5.931 6.393 -20.762 618 2HB ARG 84 3HB ARG 84 4.338 5.845 -20.282 619 1HG ARG 84 2HG ARG 84 4.263 4.313 -22.256 620 2HG ARG 84 3HG ARG 84 5.849 4.870 -22.753 621 1HD ARG 84 2HD ARG 84 6.937 3.615 -21.159 622 2HD ARG 84 3HD ARG 84 5.739 3.954 -19.925 623 HE ARG 84 HE ARG 84 4.288 2.295 -21.447 624 1HH1 ARG 84 1HH1 ARG 84 5.777 -0.853 -21.220 625 2HH1 ARG 84 2HH1 ARG 84 4.315 0.012 -21.557 626 1HH2 ARG 84 1HH2 ARG 84 7.709 0.305 -20.659 627 2HH2 ARG 84 2HH2 ARG 84 7.687 2.035 -20.576 628 H SER 85 HN SER 85 3.291 5.649 -23.967 629 HA SER 85 HA SER 85 5.533 6.219 -25.739 630 1HB SER 85 2HB SER 85 4.289 3.772 -25.007 631 2HB SER 85 3HB SER 85 3.784 4.072 -26.658 632 HG SER 85 HG SER 85 6.434 4.657 -26.482 633 H LYS 86 HN LYS 86 3.684 8.266 -25.509 634 HA LYS 86 HA LYS 86 1.810 7.887 -27.719 635 1HB LYS 86 2HB LYS 86 1.314 8.877 -25.287 636 2HB LYS 86 3HB LYS 86 1.847 10.363 -26.048 637 1HG LYS 86 2HG LYS 86 -0.353 10.491 -26.705 638 2HG LYS 86 3HG LYS 86 0.195 9.462 -28.013 639 1HD LYS 86 2HD LYS 86 -0.447 7.870 -25.634 640 2HD LYS 86 3HD LYS 86 -1.811 8.864 -26.103 641 1HE LYS 86 2HE LYS 86 -0.572 7.671 -28.470 642 2HE LYS 86 3HE LYS 86 -0.972 6.426 -27.302 643 1HZ LYS 86 1HZ LYS 86 -3.197 7.549 -27.170 644 2HZ LYS 86 2HZ LYS 86 -2.779 8.389 -28.507 645 3HZ LYS 86 3HZ LYS 86 -2.875 6.760 -28.564 646 H ILE 87 HN ILE 87 4.673 7.987 -28.231 647 HA ILE 87 HA ILE 87 4.975 10.667 -29.362 648 HB ILE 87 HB ILE 87 6.837 8.509 -28.497 649 1HG1 ILE 87 2HG1 ILE 87 8.082 10.594 -27.699 650 2HG1 ILE 87 3HG1 ILE 87 6.661 11.509 -28.161 651 1HG2 ILE 87 1HG2 ILE 87 7.170 10.115 -30.945 652 2HG2 ILE 87 2HG2 ILE 87 8.543 10.177 -29.814 653 3HG2 ILE 87 3HG2 ILE 87 7.968 8.609 -30.432 654 1HD1 ILE 87 1HD1 ILE 87 5.757 9.224 -26.663 655 2HD1 ILE 87 2HD1 ILE 87 7.090 9.984 -25.761 656 3HD1 ILE 87 3HD1 ILE 87 5.662 10.944 -26.213 657 H ALA 88 HN ALA 88 5.488 7.184 -30.276 658 HA ALA 88 HA ALA 88 5.513 7.836 -33.048 659 1HB ALA 88 1HB ALA 88 6.702 5.918 -32.782 660 2HB ALA 88 2HB ALA 88 5.821 5.459 -31.305 661 3HB ALA 88 3HB ALA 88 5.112 5.126 -32.904 662 HHA HEM 95 HA HEM 95 27.100 12.972 -12.890 663 HHB HEM 95 HB HEM 95 22.947 11.043 -8.513 664 HHC HEM 95 HC HEM 95 18.165 12.731 -12.383 665 HHD HEM 95 HD HEM 95 22.372 14.699 -16.690 666 1HMA HEM 95 1HMA HEM 95 25.840 11.414 -7.512 667 2HMA HEM 95 2HMA HEM 95 26.429 9.934 -8.368 668 3HMA HEM 95 3HMA HEM 95 24.700 10.063 -7.924 669 1HAA HEM 95 1HAA HEM 95 27.646 10.232 -10.102 670 2HAA HEM 95 2HAA HEM 95 28.403 11.928 -10.122 671 1HBA HEM 95 1HBA HEM 95 28.927 12.164 -12.106 672 2HBA HEM 95 2HBA HEM 95 27.890 10.826 -12.719 673 1HMB HEM 95 1HMB HEM 95 20.184 11.654 -7.100 674 2HMB HEM 95 2HMB HEM 95 21.219 10.277 -7.672 675 3HMB HEM 95 3HMB HEM 95 19.446 10.149 -7.801 676 HAB HEM 95 HAB HEM 95 17.502 12.577 -9.638 677 1HBB HEM 95 HBB HEM 95 17.590 9.493 -9.678 678 2HBB HEM 95 HBB HEM 95 16.123 10.641 -9.445 679 1HMC HEM 95 1HMC HEM 95 17.084 14.411 -14.502 680 2HMC HEM 95 2HMC HEM 95 17.265 12.619 -14.294 681 3HMC HEM 95 3HMC HEM 95 17.365 13.341 -15.930 682 HAC HEM 95 HAC HEM 95 20.600 14.725 -17.597 683 1HBC HEM 95 HBC HEM 95 17.840 15.535 -16.475 684 2HBC HEM 95 HBC HEM 95 18.544 15.870 -18.183 685 1HMD HEM 95 1HMD HEM 95 24.798 16.349 -16.768 686 2HMD HEM 95 2HMD HEM 95 24.518 14.859 -17.760 687 3HMD HEM 95 3HMD HEM 95 26.194 15.332 -17.289 688 1HAD HEM 95 1HAD HEM 95 27.931 14.409 -16.076 689 2HAD HEM 95 2HAD HEM 95 27.991 13.393 -14.609 690 1HBD HEM 95 1HBD HEM 95 27.398 15.399 -13.187 691 2HBD HEM 95 2HBD HEM 95 27.287 16.416 -14.633 Start of MODEL 12 1 H VAL 4 HN VAL 4 2.958 -1.135 -8.440 2 HA VAL 4 HA VAL 4 4.585 1.106 -7.572 3 HB VAL 4 HB VAL 4 4.951 -0.579 -9.560 4 1HG1 VAL 4 1HG1 VAL 4 3.372 1.601 -10.961 5 2HG1 VAL 4 2HG1 VAL 4 4.119 0.156 -11.687 6 3HG1 VAL 4 3HG1 VAL 4 2.726 -0.016 -10.591 7 1HG2 VAL 4 1HG2 VAL 4 5.580 2.096 -10.565 8 2HG2 VAL 4 2HG2 VAL 4 5.984 1.896 -8.842 9 3HG2 VAL 4 3HG2 VAL 4 6.664 0.781 -10.052 10 H LYS 5 HN LYS 5 4.133 3.260 -8.825 11 HA LYS 5 HA LYS 5 1.229 3.704 -8.736 12 1HB LYS 5 2HB LYS 5 3.484 5.128 -7.464 13 2HB LYS 5 3HB LYS 5 2.322 6.167 -8.262 14 1HG LYS 5 2HG LYS 5 1.108 3.977 -6.644 15 2HG LYS 5 3HG LYS 5 2.021 5.146 -5.711 16 1HD LYS 5 2HD LYS 5 -0.035 6.225 -5.745 17 2HD LYS 5 3HD LYS 5 0.666 6.917 -7.195 18 1HE LYS 5 2HE LYS 5 -0.421 4.735 -8.340 19 2HE LYS 5 3HE LYS 5 -1.473 4.804 -6.941 20 1HZ LYS 5 1HZ LYS 5 -2.570 6.367 -8.005 21 2HZ LYS 5 2HZ LYS 5 -1.290 7.370 -7.868 22 3HZ LYS 5 3HZ LYS 5 -1.468 6.453 -9.207 23 H TYR 6 HN TYR 6 0.304 4.361 -10.607 24 HA TYR 6 HA TYR 6 2.130 5.111 -12.768 25 1HB TYR 6 2HB TYR 6 -0.844 4.310 -12.620 26 2HB TYR 6 3HB TYR 6 0.034 4.550 -14.116 27 HD1 TYR 6 HD1 TYR 6 2.506 3.134 -13.860 28 HD2 TYR 6 HD2 TYR 6 -1.333 2.069 -12.301 29 HE1 TYR 6 HE1 TYR 6 3.182 0.683 -13.851 30 HE2 TYR 6 HE2 TYR 6 -0.645 -0.378 -12.298 31 HH TYR 6 HH TYR 6 0.972 -1.793 -13.551 32 H TYR 7 HN TYR 7 2.406 7.258 -13.108 33 HA TYR 7 HA TYR 7 0.177 9.026 -12.393 34 1HB TYR 7 2HB TYR 7 3.091 9.670 -13.127 35 2HB TYR 7 3HB TYR 7 1.988 10.697 -12.233 36 HD1 TYR 7 HD1 TYR 7 4.824 8.843 -11.842 37 HD2 TYR 7 HD2 TYR 7 0.962 9.264 -10.051 38 HE1 TYR 7 HE1 TYR 7 5.730 7.922 -9.653 39 HE2 TYR 7 HE2 TYR 7 1.880 8.340 -7.868 40 HH TYR 7 HH TYR 7 3.821 7.989 -6.740 41 H THR 8 HN THR 8 -0.469 10.725 -13.853 42 HA THR 8 HA THR 8 -0.324 9.892 -16.604 43 HB THR 8 HB THR 8 -1.808 12.061 -16.753 44 HG1 THR 8 HG1 THR 8 -2.596 12.356 -14.380 45 1HG2 THR 8 1HG2 THR 8 -2.751 9.691 -16.552 46 2HG2 THR 8 2HG2 THR 8 -2.716 9.900 -14.785 47 3HG2 THR 8 3HG2 THR 8 -3.757 10.943 -15.784 48 H LEU 9 HN LEU 9 0.478 11.103 -18.378 49 HA LEU 9 HA LEU 9 3.000 12.144 -17.982 50 1HB LEU 9 2HB LEU 9 3.012 12.611 -20.259 51 2HB LEU 9 3HB LEU 9 1.966 11.216 -20.080 52 HG LEU 9 HG LEU 9 1.018 14.074 -20.437 53 1HD1 LEU 9 1HD1 LEU 9 1.797 11.989 -22.351 54 2HD1 LEU 9 2HD1 LEU 9 0.175 12.667 -22.637 55 3HD1 LEU 9 3HD1 LEU 9 1.593 13.743 -22.573 56 1HD2 LEU 9 1HD2 LEU 9 -0.697 13.036 -19.262 57 2HD2 LEU 9 2HD2 LEU 9 -1.177 12.811 -20.961 58 3HD2 LEU 9 3HD2 LEU 9 -0.437 11.466 -20.059 59 H GLU 10 HN GLU 10 -0.078 13.538 -17.294 60 HA GLU 10 HA GLU 10 0.597 16.213 -17.787 61 1HB GLU 10 2HB GLU 10 -1.630 14.703 -16.610 62 2HB GLU 10 3HB GLU 10 -1.341 16.201 -15.747 63 1HG GLU 10 2HG GLU 10 -2.852 16.804 -17.490 64 2HG GLU 10 3HG GLU 10 -1.291 17.367 -18.053 65 H GLU 11 HN GLU 11 0.912 14.007 -14.972 66 HA GLU 11 HA GLU 11 1.453 15.835 -13.034 67 1HB GLU 11 2HB GLU 11 1.647 13.015 -13.373 68 2HB GLU 11 3HB GLU 11 3.205 13.527 -12.757 69 1HG GLU 11 2HG GLU 11 2.341 13.845 -10.686 70 2HG GLU 11 3HG GLU 11 1.139 14.956 -11.313 71 H ILE 12 HN ILE 12 3.997 13.965 -14.856 72 HA ILE 12 HA ILE 12 6.175 15.324 -14.020 73 HB ILE 12 HB ILE 12 6.802 14.857 -16.626 74 1HG1 ILE 12 2HG1 ILE 12 4.224 14.072 -16.659 75 2HG1 ILE 12 3HG1 ILE 12 5.468 13.374 -17.677 76 1HG2 ILE 12 1HG2 ILE 12 6.652 12.803 -14.402 77 2HG2 ILE 12 2HG2 ILE 12 7.688 12.727 -15.847 78 3HG2 ILE 12 3HG2 ILE 12 7.949 14.000 -14.631 79 1HD1 ILE 12 1HD1 ILE 12 4.846 12.269 -14.908 80 2HD1 ILE 12 2HD1 ILE 12 4.006 11.709 -16.376 81 3HD1 ILE 12 3HD1 ILE 12 5.765 11.487 -16.218 82 H GLN 13 HN GLN 13 4.030 16.224 -16.802 83 HA GLN 13 HA GLN 13 5.383 18.389 -17.665 84 1HB GLN 13 2HB GLN 13 2.402 17.840 -17.480 85 2HB GLN 13 3HB GLN 13 3.012 19.294 -18.246 86 1HG GLN 13 2HG GLN 13 4.417 16.849 -19.146 87 2HG GLN 13 3HG GLN 13 2.698 16.805 -19.481 88 1HE2 GLN 13 1HE2 GLN 13 3.756 16.795 -21.684 89 2HE2 GLN 13 2HE2 GLN 13 3.965 18.320 -22.478 90 H LYS 14 HN LYS 14 2.427 18.812 -15.600 91 HA LYS 14 HA LYS 14 2.992 21.378 -14.827 92 1HB LYS 14 2HB LYS 14 1.393 20.967 -12.990 93 2HB LYS 14 3HB LYS 14 0.812 20.393 -14.539 94 1HG LYS 14 2HG LYS 14 1.994 18.107 -13.738 95 2HG LYS 14 3HG LYS 14 1.740 18.804 -12.149 96 1HD LYS 14 2HD LYS 14 -0.714 19.251 -13.433 97 2HD LYS 14 3HD LYS 14 -0.233 17.678 -14.039 98 1HE LYS 14 2HE LYS 14 -1.208 16.934 -12.090 99 2HE LYS 14 3HE LYS 14 0.362 17.309 -11.407 100 1HZ LYS 14 1HZ LYS 14 -0.452 19.099 -10.369 101 2HZ LYS 14 2HZ LYS 14 -1.483 19.511 -11.566 102 3HZ LYS 14 3HZ LYS 14 -1.887 18.332 -10.510 103 H HIS 15 HN HIS 15 4.333 18.307 -13.665 104 HA HIS 15 HA HIS 15 5.573 19.650 -11.420 105 1HB HIS 15 2HB HIS 15 5.635 16.758 -12.327 106 2HB HIS 15 3HB HIS 15 6.413 17.370 -10.881 107 HD1 HIS 15 HD1 HIS 15 4.371 18.988 -9.455 108 HD2 HIS 15 HD2 HIS 15 3.333 15.522 -11.576 109 HE1 HIS 15 HE1 HIS 15 2.150 18.194 -8.484 110 H LYS 16 HN LYS 16 6.355 20.818 -13.815 111 HA LYS 16 HA LYS 16 9.025 19.676 -14.247 112 1HB LYS 16 2HB LYS 16 7.480 19.757 -16.222 113 2HB LYS 16 3HB LYS 16 7.455 21.503 -16.088 114 1HG LYS 16 2HG LYS 16 9.864 21.643 -16.474 115 2HG LYS 16 3HG LYS 16 10.041 19.904 -16.355 116 1HD LYS 16 2HD LYS 16 9.334 19.552 -18.509 117 2HD LYS 16 3HD LYS 16 8.049 20.737 -18.389 118 1HE LYS 16 2HE LYS 16 9.807 22.570 -18.576 119 2HE LYS 16 3HE LYS 16 11.010 21.327 -18.857 120 1HZ LYS 16 1HZ LYS 16 8.668 21.153 -20.508 121 2HZ LYS 16 2HZ LYS 16 9.604 22.464 -20.776 122 3HZ LYS 16 3HZ LYS 16 10.241 20.966 -20.906 123 H ASP 17 HN ASP 17 8.216 21.288 -11.920 124 HA ASP 17 HA ASP 17 9.925 23.578 -12.491 125 1HB ASP 17 2HB ASP 17 7.195 23.563 -11.588 126 2HB ASP 17 3HB ASP 17 8.175 24.074 -10.228 127 H SER 18 HN SER 18 10.827 24.476 -10.242 128 HA SER 18 HA SER 18 12.303 22.523 -9.068 129 1HB SER 18 2HB SER 18 12.077 25.297 -8.871 130 2HB SER 18 3HB SER 18 11.668 24.770 -7.251 131 HG SER 18 HG SER 18 14.005 23.788 -8.638 132 H LYS 19 HN LYS 19 9.247 24.076 -7.863 133 HA LYS 19 HA LYS 19 8.956 22.934 -5.459 134 1HB LYS 19 2HB LYS 19 7.365 24.384 -7.103 135 2HB LYS 19 3HB LYS 19 6.530 22.845 -7.170 136 1HG LYS 19 2HG LYS 19 5.896 22.927 -4.952 137 2HG LYS 19 3HG LYS 19 7.394 23.678 -4.437 138 1HD LYS 19 2HD LYS 19 6.508 25.802 -5.718 139 2HD LYS 19 3HD LYS 19 4.948 25.005 -5.658 140 1HE LYS 19 2HE LYS 19 5.612 24.699 -3.058 141 2HE LYS 19 3HE LYS 19 6.613 26.097 -3.394 142 1HZ LYS 19 1HZ LYS 19 4.068 26.458 -4.505 143 2HZ LYS 19 2HZ LYS 19 3.917 26.072 -2.925 144 3HZ LYS 19 3HZ LYS 19 4.824 27.356 -3.368 145 H SER 20 HN SER 20 8.036 21.369 -8.603 146 HA SER 20 HA SER 20 8.480 18.836 -7.250 147 1HB SER 20 2HB SER 20 6.022 19.699 -8.794 148 2HB SER 20 3HB SER 20 6.478 18.008 -8.762 149 HG SER 20 HG SER 20 5.300 19.557 -6.782 150 H THR 21 HN THR 21 10.429 18.393 -8.326 151 HA THR 21 HA THR 21 10.409 18.617 -11.251 152 HB THR 21 HB THR 21 12.542 18.518 -9.079 153 HG1 THR 21 HG1 THR 21 12.013 20.140 -11.466 154 1HG2 THR 21 1HG2 THR 21 13.469 18.817 -11.876 155 2HG2 THR 21 2HG2 THR 21 14.184 17.870 -10.549 156 3HG2 THR 21 3HG2 THR 21 12.863 17.180 -11.523 157 H TRP 22 HN TRP 22 9.794 16.885 -12.370 158 HA TRP 22 HA TRP 22 10.539 14.270 -11.245 159 1HB TRP 22 2HB TRP 22 8.000 15.247 -12.461 160 2HB TRP 22 3HB TRP 22 8.494 13.602 -12.807 161 HD1 TRP 22 HD1 TRP 22 9.389 14.850 -9.322 162 HE1 TRP 22 HE1 TRP 22 7.897 13.723 -7.459 163 HE3 TRP 22 HE3 TRP 22 6.096 12.678 -12.531 164 HZ2 TRP 22 HZ2 TRP 22 5.561 12.085 -7.535 165 HZ3 TRP 22 HZ3 TRP 22 4.240 11.332 -11.555 166 HH2 TRP 22 HH2 TRP 22 3.943 11.020 -9.149 167 H VAL 23 HN VAL 23 10.972 12.601 -12.968 168 HA VAL 23 HA VAL 23 11.419 13.558 -15.630 169 HB VAL 23 HB VAL 23 13.379 14.474 -14.554 170 1HG1 VAL 23 1HG1 VAL 23 14.096 11.660 -13.675 171 2HG1 VAL 23 2HG1 VAL 23 14.984 13.164 -13.334 172 3HG1 VAL 23 3HG1 VAL 23 13.383 12.892 -12.607 173 1HG2 VAL 23 1HG2 VAL 23 14.862 12.324 -15.779 174 2HG2 VAL 23 2HG2 VAL 23 13.394 12.663 -16.726 175 3HG2 VAL 23 3HG2 VAL 23 14.554 13.970 -16.382 176 H ILE 24 HN ILE 24 10.658 11.898 -16.825 177 HA ILE 24 HA ILE 24 10.292 9.338 -15.715 178 HB ILE 24 HB ILE 24 10.137 10.373 -18.546 179 1HG1 ILE 24 2HG1 ILE 24 7.735 9.602 -16.968 180 2HG1 ILE 24 3HG1 ILE 24 8.556 11.069 -16.475 181 1HG2 ILE 24 1HG2 ILE 24 10.571 7.933 -18.478 182 2HG2 ILE 24 2HG2 ILE 24 9.116 7.730 -17.473 183 3HG2 ILE 24 3HG2 ILE 24 8.970 8.348 -19.137 184 1HD1 ILE 24 1HD1 ILE 24 8.361 10.983 -19.382 185 2HD1 ILE 24 2HD1 ILE 24 6.756 10.762 -18.644 186 3HD1 ILE 24 3HD1 ILE 24 7.726 12.202 -18.250 187 H LEU 25 HN LEU 25 11.753 7.758 -15.383 188 HA LEU 25 HA LEU 25 14.053 7.686 -17.205 189 1HB LEU 25 2HB LEU 25 13.991 8.045 -14.315 190 2HB LEU 25 3HB LEU 25 14.942 6.652 -14.787 191 HG LEU 25 HG LEU 25 16.430 7.970 -16.093 192 1HD1 LEU 25 1HD1 LEU 25 15.947 10.578 -16.069 193 2HD1 LEU 25 2HD1 LEU 25 15.285 9.507 -17.327 194 3HD1 LEU 25 3HD1 LEU 25 14.262 10.016 -15.962 195 1HD2 LEU 25 1HD2 LEU 25 15.833 9.516 -13.557 196 2HD2 LEU 25 2HD2 LEU 25 16.789 8.019 -13.656 197 3HD2 LEU 25 3HD2 LEU 25 17.366 9.499 -14.459 198 H HIS 26 HN HIS 26 14.040 5.841 -18.360 199 HA HIS 26 HA HIS 26 13.304 3.848 -19.023 200 1HB HIS 26 2HB HIS 26 14.144 1.998 -17.493 201 2HB HIS 26 3HB HIS 26 15.323 3.161 -18.068 202 HD1 HIS 26 HD1 HIS 26 16.562 4.571 -16.327 203 HD2 HIS 26 HD2 HIS 26 13.440 2.290 -14.700 204 HE1 HIS 26 HE1 HIS 26 16.803 4.733 -13.791 205 H HIS 27 HN HIS 27 11.036 5.038 -18.447 206 HA HIS 27 HA HIS 27 8.957 4.798 -17.785 207 1HB HIS 27 2HB HIS 27 9.498 1.865 -17.316 208 2HB HIS 27 3HB HIS 27 7.998 2.630 -17.803 209 HD1 HIS 27 HD1 HIS 27 7.484 2.380 -20.227 210 HD2 HIS 27 HD2 HIS 27 11.613 2.333 -19.487 211 HE1 HIS 27 HE1 HIS 27 8.611 1.988 -22.484 212 H LYS 28 HN LYS 28 10.414 5.937 -15.846 213 HA LYS 28 HA LYS 28 9.008 5.240 -13.516 214 1HB LYS 28 2HB LYS 28 11.540 3.862 -13.926 215 2HB LYS 28 3HB LYS 28 11.579 4.850 -12.479 216 1HG LYS 28 2HG LYS 28 9.799 3.687 -11.462 217 2HG LYS 28 3HG LYS 28 9.133 3.151 -12.992 218 1HD LYS 28 2HD LYS 28 10.327 1.223 -12.914 219 2HD LYS 28 3HD LYS 28 11.830 2.101 -12.709 220 1HE LYS 28 2HE LYS 28 11.406 2.290 -10.260 221 2HE LYS 28 3HE LYS 28 9.874 1.460 -10.449 222 1HZ LYS 28 1HZ LYS 28 12.104 0.214 -9.894 223 2HZ LYS 28 2HZ LYS 28 10.899 -0.499 -10.732 224 3HZ LYS 28 3HZ LYS 28 12.188 0.117 -11.522 225 H VAL 29 HN VAL 29 8.483 7.334 -13.107 226 HA VAL 29 HA VAL 29 10.229 9.467 -13.703 227 HB VAL 29 HB VAL 29 8.549 10.842 -12.738 228 1HG1 VAL 29 1HG1 VAL 29 6.707 8.742 -13.723 229 2HG1 VAL 29 2HG1 VAL 29 6.945 10.417 -14.276 230 3HG1 VAL 29 3HG1 VAL 29 8.065 9.138 -14.803 231 1HG2 VAL 29 1HG2 VAL 29 6.966 8.550 -11.637 232 2HG2 VAL 29 2HG2 VAL 29 8.348 9.160 -10.697 233 3HG2 VAL 29 3HG2 VAL 29 7.014 10.255 -11.131 234 H TYR 30 HN TYR 30 11.560 10.726 -12.364 235 HA TYR 30 HA TYR 30 12.073 9.526 -9.725 236 1HB TYR 30 2HB TYR 30 13.738 10.679 -12.004 237 2HB TYR 30 3HB TYR 30 14.368 10.849 -10.378 238 HD1 TYR 30 HD1 TYR 30 12.448 7.880 -10.561 239 HD2 TYR 30 HD2 TYR 30 16.264 9.498 -11.622 240 HE1 TYR 30 HE1 TYR 30 13.416 5.533 -10.687 241 HE2 TYR 30 HE2 TYR 30 17.218 7.145 -11.746 242 HH TYR 30 HH TYR 30 15.624 4.485 -10.465 243 H ASP 31 HN ASP 31 11.232 10.812 -8.156 244 HA ASP 31 HA ASP 31 10.855 13.578 -8.674 245 1HB ASP 31 2HB ASP 31 9.258 12.242 -7.310 246 2HB ASP 31 3HB ASP 31 10.517 11.914 -6.135 247 H LEU 32 HN LEU 32 13.189 14.167 -8.991 248 HA LEU 32 HA LEU 32 14.815 13.986 -6.575 249 1HB LEU 32 2HB LEU 32 16.678 14.513 -7.992 250 2HB LEU 32 3HB LEU 32 15.777 13.160 -8.649 251 HG LEU 32 HG LEU 32 14.824 15.642 -9.799 252 1HD1 LEU 32 1HD1 LEU 32 17.590 15.213 -10.748 253 2HD1 LEU 32 2HD1 LEU 32 16.653 16.714 -10.555 254 3HD1 LEU 32 3HD1 LEU 32 17.433 15.963 -9.142 255 1HD2 LEU 32 1HD2 LEU 32 16.253 13.301 -11.086 256 2HD2 LEU 32 2HD2 LEU 32 14.517 13.341 -10.696 257 3HD2 LEU 32 3HD2 LEU 32 15.190 14.490 -11.878 258 H THR 33 HN THR 33 12.577 15.664 -6.339 259 HA THR 33 HA THR 33 13.083 18.322 -7.084 260 HB THR 33 HB THR 33 11.456 17.140 -4.771 261 HG1 THR 33 HG1 THR 33 10.027 16.725 -6.442 262 1HG2 THR 33 1HG2 THR 33 10.538 19.539 -6.292 263 2HG2 THR 33 2HG2 THR 33 10.423 19.196 -4.550 264 3HG2 THR 33 3HG2 THR 33 11.940 19.826 -5.234 265 H LYS 34 HN LYS 34 13.885 16.477 -4.087 266 HA LYS 34 HA LYS 34 15.060 18.756 -2.862 267 1HB LYS 34 2HB LYS 34 14.100 17.010 -1.505 268 2HB LYS 34 3HB LYS 34 15.137 15.796 -2.226 269 1HG LYS 34 2HG LYS 34 16.873 17.864 -1.278 270 2HG LYS 34 3HG LYS 34 15.701 17.589 -0.005 271 1HD LYS 34 2HD LYS 34 16.939 15.177 -1.330 272 2HD LYS 34 3HD LYS 34 17.930 16.099 -0.216 273 1HE LYS 34 2HE LYS 34 15.127 15.266 0.598 274 2HE LYS 34 3HE LYS 34 16.440 14.111 0.697 275 1HZ LYS 34 1HZ LYS 34 16.606 16.779 1.903 276 2HZ LYS 34 2HZ LYS 34 16.038 15.481 2.713 277 3HZ LYS 34 3HZ LYS 34 17.581 15.498 2.179 278 H TYR 35 HN TYR 35 16.214 15.999 -4.847 279 HA TYR 35 HA TYR 35 18.957 16.909 -4.565 280 1HB TYR 35 2HB TYR 35 18.249 14.471 -4.565 281 2HB TYR 35 3HB TYR 35 17.510 14.687 -6.139 282 HD1 TYR 35 HD1 TYR 35 18.777 14.432 -8.125 283 HD2 TYR 35 HD2 TYR 35 20.784 14.737 -4.360 284 HE1 TYR 35 HE1 TYR 35 20.971 13.786 -9.235 285 HE2 TYR 35 HE2 TYR 35 22.972 14.090 -5.481 286 HH TYR 35 HH TYR 35 23.904 13.337 -7.301 287 H LEU 36 HN LEU 36 16.599 18.376 -6.064 288 HA LEU 36 HA LEU 36 17.369 18.288 -8.794 289 1HB LEU 36 2HB LEU 36 15.131 18.837 -8.245 290 2HB LEU 36 3HB LEU 36 15.625 20.114 -7.151 291 HG LEU 36 HG LEU 36 14.671 20.896 -9.323 292 1HD1 LEU 36 1HD1 LEU 36 16.877 21.876 -7.878 293 2HD1 LEU 36 2HD1 LEU 36 17.279 22.092 -9.599 294 3HD1 LEU 36 3HD1 LEU 36 15.775 22.781 -8.942 295 1HD2 LEU 36 1HD2 LEU 36 17.058 19.426 -10.398 296 2HD2 LEU 36 2HD2 LEU 36 15.377 19.456 -10.983 297 3HD2 LEU 36 3HD2 LEU 36 16.435 20.864 -11.245 298 H GLU 37 HN GLU 37 17.951 20.594 -6.058 299 HA GLU 37 HA GLU 37 19.797 22.019 -7.743 300 1HB GLU 37 2HB GLU 37 19.897 23.643 -5.913 301 2HB GLU 37 3HB GLU 37 18.224 23.259 -6.265 302 1HG GLU 37 2HG GLU 37 17.882 22.420 -4.178 303 2HG GLU 37 3HG GLU 37 19.300 21.397 -4.279 304 H GLU 38 HN GLU 38 19.852 19.269 -5.782 305 HA GLU 38 HA GLU 38 22.442 19.780 -4.660 306 1HB GLU 38 2HB GLU 38 20.381 18.319 -3.740 307 2HB GLU 38 3HB GLU 38 21.180 17.046 -4.642 308 1HG GLU 38 2HG GLU 38 22.058 17.000 -2.378 309 2HG GLU 38 3HG GLU 38 23.332 17.593 -3.425 310 H HIS 39 HN HIS 39 21.029 18.418 -7.556 311 HA HIS 39 HA HIS 39 22.821 16.497 -8.270 312 1HB HIS 39 2HB HIS 39 20.689 17.307 -9.435 313 2HB HIS 39 3HB HIS 39 21.687 18.525 -10.203 314 HD1 HIS 39 HD1 HIS 39 21.756 17.693 -12.585 315 HD2 HIS 39 HD2 HIS 39 22.703 14.699 -9.802 316 HE1 HIS 39 HE1 HIS 39 22.522 15.672 -13.942 317 HA PRO 40 HA PRO 40 26.522 18.771 -8.613 318 1HB PRO 40 2HB PRO 40 28.160 16.709 -9.344 319 2HB PRO 40 3HB PRO 40 27.749 17.063 -7.678 320 1HG PRO 40 2HG PRO 40 26.750 14.887 -9.413 321 2HG PRO 40 3HG PRO 40 26.692 15.012 -7.665 322 1HD PRO 40 2HD PRO 40 24.522 15.448 -9.490 323 2HD PRO 40 3HD PRO 40 24.495 15.686 -7.754 324 H GLY 41 HN GLY 41 25.264 16.776 -11.159 325 1HA GLY 41 1HA GLY 41 26.973 17.684 -13.204 326 2HA GLY 41 2HA GLY 41 25.386 16.965 -13.395 327 H GLY 42 HN GLY 42 23.467 18.516 -12.707 328 1HA GLY 42 1HA GLY 42 23.873 21.317 -12.867 329 2HA GLY 42 2HA GLY 42 23.432 20.684 -14.439 330 H GLU 43 HN GLU 43 21.891 22.460 -12.574 331 HA GLU 43 HA GLU 43 19.789 20.748 -11.640 332 1HB GLU 43 2HB GLU 43 18.807 22.825 -10.743 333 2HB GLU 43 3HB GLU 43 20.495 22.697 -10.292 334 1HG GLU 43 2HG GLU 43 20.769 24.055 -12.647 335 2HG GLU 43 3HG GLU 43 19.172 24.609 -12.184 336 H GLU 44 HN GLU 44 20.497 22.991 -14.327 337 HA GLU 44 HA GLU 44 17.844 23.190 -15.204 338 1HB GLU 44 2HB GLU 44 20.479 23.596 -16.687 339 2HB GLU 44 3HB GLU 44 18.910 24.047 -17.325 340 1HG GLU 44 2HG GLU 44 19.156 25.113 -14.639 341 2HG GLU 44 3HG GLU 44 20.592 25.548 -15.545 342 H VAL 45 HN VAL 45 20.676 21.217 -16.352 343 HA VAL 45 HA VAL 45 19.615 19.901 -18.424 344 HB VAL 45 HB VAL 45 21.785 19.365 -17.965 345 1HG1 VAL 45 1HG1 VAL 45 22.421 18.388 -15.617 346 2HG1 VAL 45 2HG1 VAL 45 22.206 20.143 -15.822 347 3HG1 VAL 45 3HG1 VAL 45 20.907 19.167 -15.095 348 1HG2 VAL 45 1HG2 VAL 45 20.751 16.912 -16.594 349 2HG2 VAL 45 2HG2 VAL 45 20.153 17.285 -18.229 350 3HG2 VAL 45 3HG2 VAL 45 21.898 17.072 -17.946 351 H LEU 46 HN LEU 46 18.667 19.612 -15.020 352 HA LEU 46 HA LEU 46 17.083 17.254 -15.558 353 1HB LEU 46 2HB LEU 46 16.984 18.834 -13.019 354 2HB LEU 46 3HB LEU 46 16.758 17.115 -13.273 355 HG LEU 46 HG LEU 46 19.451 18.336 -13.800 356 1HD1 LEU 46 1HD1 LEU 46 18.574 17.449 -11.045 357 2HD1 LEU 46 2HD1 LEU 46 20.124 18.180 -11.525 358 3HD1 LEU 46 3HD1 LEU 46 18.632 19.150 -11.563 359 1HD2 LEU 46 1HD2 LEU 46 18.307 15.638 -13.370 360 2HD2 LEU 46 2HD2 LEU 46 19.674 16.168 -14.380 361 3HD2 LEU 46 3HD2 LEU 46 19.896 15.945 -12.628 362 H ARG 47 HN ARG 47 16.433 20.611 -14.312 363 HA ARG 47 HA ARG 47 13.722 20.433 -14.560 364 1HB ARG 47 2HB ARG 47 15.556 22.866 -14.830 365 2HB ARG 47 3HB ARG 47 13.817 22.985 -14.651 366 1HG ARG 47 2HG ARG 47 14.530 21.258 -12.568 367 2HG ARG 47 3HG ARG 47 15.877 22.378 -12.616 368 1HD ARG 47 2HD ARG 47 13.183 23.652 -12.839 369 2HD ARG 47 3HD ARG 47 13.499 22.866 -11.305 370 HE ARG 47 HE ARG 47 15.285 24.396 -10.881 371 1HH1 ARG 47 1HH1 ARG 47 15.946 27.354 -12.612 372 2HH1 ARG 47 2HH1 ARG 47 16.247 26.450 -11.165 373 1HH2 ARG 47 1HH2 ARG 47 14.566 26.480 -14.260 374 2HH2 ARG 47 2HH2 ARG 47 13.837 24.924 -14.044 375 H GLU 48 HN GLU 48 16.111 21.953 -16.856 376 HA GLU 48 HA GLU 48 14.610 22.862 -18.783 377 1HB GLU 48 2HB GLU 48 17.113 22.667 -18.816 378 2HB GLU 48 3HB GLU 48 16.962 20.987 -19.289 379 1HG GLU 48 2HG GLU 48 17.107 21.870 -21.411 380 2HG GLU 48 3HG GLU 48 15.380 22.084 -21.203 381 H GLN 49 HN GLN 49 15.246 19.342 -18.261 382 HA GLN 49 HA GLN 49 12.893 18.848 -19.894 383 1HB GLN 49 2HB GLN 49 14.020 16.831 -20.860 384 2HB GLN 49 3HB GLN 49 14.785 18.334 -21.337 385 1HG GLN 49 2HG GLN 49 16.155 17.733 -18.997 386 2HG GLN 49 3HG GLN 49 15.840 16.133 -19.640 387 1HE2 GLN 49 1HE2 GLN 49 17.984 15.764 -20.097 388 2HE2 GLN 49 2HE2 GLN 49 18.826 16.507 -21.416 389 H ALA 50 HN ALA 50 12.539 19.060 -17.246 390 HA ALA 50 HA ALA 50 13.131 16.669 -15.824 391 1HB ALA 50 1HB ALA 50 12.894 18.447 -14.382 392 2HB ALA 50 2HB ALA 50 11.636 19.225 -15.373 393 3HB ALA 50 3HB ALA 50 11.222 17.838 -14.338 394 H GLY 51 HN GLY 51 9.804 17.973 -16.016 395 1HA GLY 51 1HA GLY 51 8.431 15.665 -15.881 396 2HA GLY 51 2HA GLY 51 7.882 17.059 -16.791 397 H GLY 52 HN GLY 52 10.137 16.969 -18.754 398 1HA GLY 52 1HA GLY 52 8.956 15.388 -20.726 399 2HA GLY 52 2HA GLY 52 10.566 16.081 -20.772 400 H ASP 53 HN ASP 53 11.771 14.364 -21.580 401 HA ASP 53 HA ASP 53 11.793 12.019 -19.855 402 1HB ASP 53 2HB ASP 53 12.124 10.587 -21.828 403 2HB ASP 53 3HB ASP 53 10.627 11.484 -21.985 404 H ALA 54 HN ALA 54 13.833 12.092 -18.890 405 HA ALA 54 HA ALA 54 16.069 12.966 -20.590 406 1HB ALA 54 1HB ALA 54 16.164 13.010 -17.582 407 2HB ALA 54 2HB ALA 54 16.998 14.052 -18.760 408 3HB ALA 54 3HB ALA 54 15.263 14.285 -18.437 409 H THR 55 HN THR 55 14.832 10.259 -20.443 410 HA THR 55 HA THR 55 16.282 8.577 -18.747 411 HB THR 55 HB THR 55 14.798 8.262 -21.392 412 HG1 THR 55 HG1 THR 55 13.290 8.173 -19.773 413 1HG2 THR 55 1HG2 THR 55 16.754 6.469 -20.788 414 2HG2 THR 55 2HG2 THR 55 15.486 5.876 -19.688 415 3HG2 THR 55 3HG2 THR 55 15.178 5.960 -21.440 416 H GLU 56 HN GLU 56 16.861 9.246 -22.270 417 HA GLU 56 HA GLU 56 19.286 7.886 -22.247 418 1HB GLU 56 2HB GLU 56 18.218 10.032 -24.132 419 2HB GLU 56 3HB GLU 56 19.655 9.082 -24.450 420 1HG GLU 56 2HG GLU 56 18.320 7.498 -25.370 421 2HG GLU 56 3HG GLU 56 17.707 7.159 -23.763 422 H ASN 57 HN ASN 57 18.392 11.331 -21.736 423 HA ASN 57 HA ASN 57 20.979 12.320 -21.815 424 1HB ASN 57 2HB ASN 57 18.299 13.238 -20.892 425 2HB ASN 57 3HB ASN 57 19.626 13.985 -20.025 426 1HD2 ASN 57 1HD2 ASN 57 17.748 13.983 -22.808 427 2HD2 ASN 57 2HD2 ASN 57 18.650 15.090 -23.789 428 H PHE 58 HN PHE 58 19.317 10.286 -19.558 429 HA PHE 58 HA PHE 58 20.982 11.133 -17.319 430 1HB PHE 58 2HB PHE 58 18.533 10.772 -16.981 431 2HB PHE 58 3HB PHE 58 18.635 9.186 -17.721 432 HD1 PHE 58 HD1 PHE 58 18.815 7.330 -16.353 433 HD2 PHE 58 HD2 PHE 58 20.043 11.101 -14.843 434 HE1 PHE 58 HE1 PHE 58 19.199 6.301 -14.096 435 HE2 PHE 58 HE2 PHE 58 20.427 10.073 -12.586 436 HZ PHE 58 HZ PHE 58 20.001 7.685 -12.239 437 H GLU 59 HN GLU 59 20.270 8.319 -19.457 438 HA GLU 59 HA GLU 59 22.149 6.695 -18.065 439 1HB GLU 59 2HB GLU 59 20.555 6.319 -20.632 440 2HB GLU 59 3HB GLU 59 21.675 5.110 -20.036 441 1HG GLU 59 2HG GLU 59 20.058 5.872 -17.801 442 2HG GLU 59 3HG GLU 59 18.961 5.668 -19.153 443 H ASP 60 HN ASP 60 22.072 8.787 -20.950 444 HA ASP 60 HA ASP 60 24.274 7.837 -22.253 445 1HB ASP 60 2HB ASP 60 22.741 9.586 -23.129 446 2HB ASP 60 3HB ASP 60 23.317 10.719 -21.923 447 H VAL 61 HN VAL 61 23.945 10.279 -19.591 448 HA VAL 61 HA VAL 61 26.675 10.952 -19.491 449 HB VAL 61 HB VAL 61 26.109 12.072 -17.459 450 1HG1 VAL 61 1HG1 VAL 61 23.734 13.049 -18.279 451 2HG1 VAL 61 2HG1 VAL 61 25.281 13.463 -19.056 452 3HG1 VAL 61 3HG1 VAL 61 24.236 12.209 -19.766 453 1HG2 VAL 61 1HG2 VAL 61 23.330 11.358 -17.133 454 2HG2 VAL 61 2HG2 VAL 61 24.351 9.902 -17.041 455 3HG2 VAL 61 3HG2 VAL 61 24.664 11.278 -15.957 456 H GLY 62 HN GLY 62 24.884 8.137 -18.527 457 1HA GLY 62 1HA GLY 62 25.520 6.233 -17.516 458 2HA GLY 62 2HA GLY 62 27.185 6.738 -17.730 459 H HIS 63 HN HIS 63 24.310 6.990 -15.590 460 HA HIS 63 HA HIS 63 25.682 8.399 -13.560 461 1HB HIS 63 2HB HIS 63 23.058 6.941 -13.760 462 2HB HIS 63 3HB HIS 63 23.643 7.482 -12.199 463 HD1 HIS 63 HD1 HIS 63 23.028 9.007 -15.671 464 HD2 HIS 63 HD2 HIS 63 22.904 10.043 -11.608 465 HE1 HIS 63 HE1 HIS 63 22.126 11.392 -15.568 466 H SER 64 HN SER 64 26.727 7.655 -11.701 467 HA SER 64 HA SER 64 27.684 4.982 -11.915 468 1HB SER 64 2HB SER 64 28.827 5.760 -9.646 469 2HB SER 64 3HB SER 64 29.389 6.377 -11.187 470 HG SER 64 HG SER 64 29.113 8.215 -9.992 471 H THR 65 HN THR 65 27.826 3.672 -9.699 472 HA THR 65 HA THR 65 25.284 2.861 -9.014 473 HB THR 65 HB THR 65 28.083 2.542 -7.966 474 HG1 THR 65 HG1 THR 65 26.609 1.308 -9.628 475 1HG2 THR 65 1HG2 THR 65 26.539 2.813 -5.895 476 2HG2 THR 65 2HG2 THR 65 25.678 1.374 -6.490 477 3HG2 THR 65 3HG2 THR 65 27.395 1.260 -6.037 478 H ASP 66 HN ASP 66 27.370 5.327 -7.427 479 HA ASP 66 HA ASP 66 26.068 5.736 -5.155 480 1HB ASP 66 2HB ASP 66 27.179 7.731 -7.163 481 2HB ASP 66 3HB ASP 66 26.517 8.281 -5.637 482 H ALA 67 HN ALA 67 25.090 6.789 -8.468 483 HA ALA 67 HA ALA 67 22.878 8.336 -7.634 484 1HB ALA 67 1HB ALA 67 24.138 8.470 -9.832 485 2HB ALA 67 2HB ALA 67 23.322 6.962 -10.310 486 3HB ALA 67 3HB ALA 67 22.365 8.428 -9.984 487 H ARG 68 HN ARG 68 23.298 4.926 -8.769 488 HA ARG 68 HA ARG 68 20.799 4.132 -9.041 489 1HB ARG 68 2HB ARG 68 23.225 2.858 -8.734 490 2HB ARG 68 3HB ARG 68 22.404 2.313 -7.287 491 1HG ARG 68 2HG ARG 68 20.926 1.004 -8.458 492 2HG ARG 68 3HG ARG 68 20.702 2.203 -9.715 493 1HD ARG 68 2HD ARG 68 21.867 0.646 -10.968 494 2HD ARG 68 3HD ARG 68 23.248 1.506 -10.314 495 HE ARG 68 HE ARG 68 22.595 -0.463 -8.403 496 1HH1 ARG 68 1HH1 ARG 68 24.434 -3.122 -9.719 497 2HH1 ARG 68 2HH1 ARG 68 23.650 -2.488 -8.309 498 1HH2 ARG 68 1HH2 ARG 68 24.413 -1.913 -11.700 499 2HH2 ARG 68 2HH2 ARG 68 23.613 -0.378 -11.770 500 H GLU 69 HN GLU 69 22.550 4.461 -5.879 501 HA GLU 69 HA GLU 69 20.462 3.535 -4.314 502 1HB GLU 69 2HB GLU 69 22.979 5.093 -3.880 503 2HB GLU 69 3HB GLU 69 21.776 5.213 -2.610 504 1HG GLU 69 2HG GLU 69 21.651 2.653 -2.614 505 2HG GLU 69 3HG GLU 69 23.019 2.650 -3.711 506 H LEU 70 HN LEU 70 21.471 6.924 -5.159 507 HA LEU 70 HA LEU 70 19.443 8.198 -3.761 508 1HB LEU 70 2HB LEU 70 21.264 8.888 -6.015 509 2HB LEU 70 3HB LEU 70 19.903 9.947 -5.707 510 HG LEU 70 HG LEU 70 20.693 10.590 -3.607 511 1HD1 LEU 70 1HD1 LEU 70 21.197 8.771 -2.341 512 2HD1 LEU 70 2HD1 LEU 70 22.120 7.976 -3.638 513 3HD1 LEU 70 3HD1 LEU 70 22.852 9.310 -2.715 514 1HD2 LEU 70 1HD2 LEU 70 22.702 10.454 -5.758 515 2HD2 LEU 70 2HD2 LEU 70 22.129 11.838 -4.797 516 3HD2 LEU 70 3HD2 LEU 70 23.363 10.743 -4.131 517 H SER 71 HN SER 71 19.579 7.679 -7.360 518 HA SER 71 HA SER 71 17.208 8.436 -8.099 519 1HB SER 71 2HB SER 71 18.651 5.869 -8.841 520 2HB SER 71 3HB SER 71 17.161 6.328 -9.641 521 HG SER 71 HG SER 71 19.528 7.091 -10.385 522 H LYS 72 HN LYS 72 17.796 5.136 -6.678 523 HA LYS 72 HA LYS 72 15.130 4.356 -6.652 524 1HB LYS 72 2HB LYS 72 17.673 3.378 -5.706 525 2HB LYS 72 3HB LYS 72 16.460 3.135 -4.466 526 1HG LYS 72 2HG LYS 72 15.232 1.649 -5.749 527 2HG LYS 72 3HG LYS 72 15.593 2.475 -7.253 528 1HD LYS 72 2HD LYS 72 17.616 1.344 -7.564 529 2HD LYS 72 3HD LYS 72 17.885 1.122 -5.846 530 1HE LYS 72 2HE LYS 72 16.994 -0.959 -5.961 531 2HE LYS 72 3HE LYS 72 15.468 -0.289 -6.502 532 1HZ LYS 72 1HZ LYS 72 16.940 -0.150 -8.712 533 2HZ LYS 72 2HZ LYS 72 17.551 -1.505 -8.035 534 3HZ LYS 72 3HZ LYS 72 15.951 -1.399 -8.349 535 H THR 73 HN THR 73 17.151 5.881 -4.050 536 HA THR 73 HA THR 73 15.116 6.024 -2.152 537 HB THR 73 HB THR 73 17.833 7.097 -2.639 538 HG1 THR 73 HG1 THR 73 17.883 5.936 -0.751 539 1HG2 THR 73 1HG2 THR 73 16.602 9.276 -2.277 540 2HG2 THR 73 2HG2 THR 73 15.916 8.600 -0.782 541 3HG2 THR 73 3HG2 THR 73 17.671 8.863 -0.915 542 H TYR 74 HN TYR 74 15.809 8.044 -4.991 543 HA TYR 74 HA TYR 74 13.733 9.912 -4.120 544 1HB TYR 74 2HB TYR 74 15.938 9.772 -6.251 545 2HB TYR 74 3HB TYR 74 14.702 11.011 -6.345 546 HD1 TYR 74 HD1 TYR 74 17.591 9.779 -4.405 547 HD2 TYR 74 HD2 TYR 74 14.693 12.898 -4.823 548 HE1 TYR 74 HE1 TYR 74 18.936 11.251 -2.827 549 HE2 TYR 74 HE2 TYR 74 16.047 14.359 -3.244 550 HH TYR 74 HH TYR 74 17.991 13.468 -1.189 551 H ILE 75 HN ILE 75 12.799 7.312 -4.770 552 HA ILE 75 HA ILE 75 11.570 7.820 -7.391 553 HB ILE 75 HB ILE 75 13.186 5.817 -7.022 554 1HG1 ILE 75 2HG1 ILE 75 10.489 5.249 -8.269 555 2HG1 ILE 75 3HG1 ILE 75 11.652 6.344 -8.989 556 1HG2 ILE 75 1HG2 ILE 75 11.793 5.174 -4.912 557 2HG2 ILE 75 2HG2 ILE 75 10.703 4.409 -6.093 558 3HG2 ILE 75 3HG2 ILE 75 12.406 3.902 -5.997 559 1HD1 ILE 75 1HD1 ILE 75 12.012 4.177 -9.993 560 2HD1 ILE 75 2HD1 ILE 75 13.370 4.453 -8.877 561 3HD1 ILE 75 3HD1 ILE 75 12.034 3.378 -8.402 562 H ILE 76 HN ILE 76 9.325 7.684 -7.555 563 HA ILE 76 HA ILE 76 7.943 7.189 -5.010 564 HB ILE 76 HB ILE 76 6.535 9.008 -5.332 565 1HG1 ILE 76 2HG1 ILE 76 6.267 8.495 -7.841 566 2HG1 ILE 76 3HG1 ILE 76 6.091 10.154 -7.304 567 1HG2 ILE 76 1HG2 ILE 76 9.376 9.720 -6.061 568 2HG2 ILE 76 2HG2 ILE 76 8.123 10.955 -5.791 569 3HG2 ILE 76 3HG2 ILE 76 8.564 9.833 -4.482 570 1HD1 ILE 76 1HD1 ILE 76 7.510 10.314 -9.201 571 2HD1 ILE 76 2HD1 ILE 76 8.635 10.405 -7.825 572 3HD1 ILE 76 3HD1 ILE 76 8.452 8.881 -8.727 573 H GLY 77 HN GLY 77 7.951 7.045 -8.595 574 1HA GLY 77 1HA GLY 77 6.720 4.571 -8.749 575 2HA GLY 77 2HA GLY 77 5.432 5.757 -8.833 576 H GLU 78 HN GLU 78 5.240 4.710 -11.079 577 HA GLU 78 HA GLU 78 7.131 6.018 -12.875 578 1HB GLU 78 2HB GLU 78 6.718 4.228 -14.482 579 2HB GLU 78 3HB GLU 78 7.187 3.522 -12.948 580 1HG GLU 78 2HG GLU 78 5.028 2.721 -12.488 581 2HG GLU 78 3HG GLU 78 4.244 3.951 -13.461 582 H LEU 79 HN LEU 79 6.041 6.388 -15.175 583 HA LEU 79 HA LEU 79 3.481 7.693 -14.613 584 1HB LEU 79 2HB LEU 79 3.996 9.265 -16.220 585 2HB LEU 79 3HB LEU 79 5.519 8.990 -15.399 586 HG LEU 79 HG LEU 79 5.946 9.175 -17.742 587 1HD1 LEU 79 1HD1 LEU 79 6.096 6.221 -17.103 588 2HD1 LEU 79 2HD1 LEU 79 7.153 7.166 -18.178 589 3HD1 LEU 79 3HD1 LEU 79 7.194 7.443 -16.420 590 1HD2 LEU 79 1HD2 LEU 79 3.477 8.355 -18.241 591 2HD2 LEU 79 2HD2 LEU 79 4.776 8.216 -19.450 592 3HD2 LEU 79 3HD2 LEU 79 4.302 6.797 -18.488 593 H HIS 80 HN HIS 80 1.688 7.418 -16.043 594 HA HIS 80 HA HIS 80 1.113 4.910 -16.791 595 1HB HIS 80 2HB HIS 80 -0.148 7.330 -16.906 596 2HB HIS 80 3HB HIS 80 0.034 6.976 -18.613 597 HD1 HIS 80 HD1 HIS 80 -2.657 6.785 -18.571 598 HD2 HIS 80 HD2 HIS 80 -0.563 3.793 -16.507 599 HE1 HIS 80 HE1 HIS 80 -4.317 4.885 -18.187 600 HA PRO 81 HA PRO 81 3.867 4.306 -20.147 601 1HB PRO 81 2HB PRO 81 3.514 1.605 -20.378 602 2HB PRO 81 3HB PRO 81 4.668 2.330 -19.276 603 1HG PRO 81 2HG PRO 81 2.051 1.096 -18.671 604 2HG PRO 81 3HG PRO 81 3.383 1.432 -17.584 605 1HD PRO 81 2HD PRO 81 0.947 2.926 -17.826 606 2HD PRO 81 3HD PRO 81 2.326 3.328 -16.824 607 H ASP 82 HN ASP 82 0.604 4.322 -20.070 608 HA ASP 82 HA ASP 82 0.191 3.181 -22.631 609 1HB ASP 82 2HB ASP 82 -1.496 3.387 -20.679 610 2HB ASP 82 3HB ASP 82 -1.657 5.076 -21.117 611 H ASP 83 HN ASP 83 0.678 6.421 -21.165 612 HA ASP 83 HA ASP 83 0.251 7.649 -23.751 613 1HB ASP 83 2HB ASP 83 0.776 8.882 -21.006 614 2HB ASP 83 3HB ASP 83 0.431 9.797 -22.460 615 H ARG 84 HN ARG 84 2.703 6.399 -21.662 616 HA ARG 84 HA ARG 84 4.730 8.217 -22.004 617 1HB ARG 84 2HB ARG 84 4.621 6.130 -20.472 618 2HB ARG 84 3HB ARG 84 5.107 5.189 -21.868 619 1HG ARG 84 2HG ARG 84 6.874 7.468 -21.673 620 2HG ARG 84 3HG ARG 84 6.772 6.727 -20.088 621 1HD ARG 84 2HD ARG 84 7.825 4.787 -20.770 622 2HD ARG 84 3HD ARG 84 7.053 4.793 -22.344 623 HE ARG 84 HE ARG 84 9.561 6.183 -21.610 624 1HH1 ARG 84 1HH1 ARG 84 10.162 7.042 -24.939 625 2HH1 ARG 84 2HH1 ARG 84 10.822 6.990 -23.338 626 1HH2 ARG 84 1HH2 ARG 84 8.001 6.294 -25.329 627 2HH2 ARG 84 2HH2 ARG 84 7.046 5.683 -24.020 628 H SER 85 HN SER 85 3.510 5.570 -24.088 629 HA SER 85 HA SER 85 5.697 5.523 -25.817 630 1HB SER 85 2HB SER 85 4.322 3.629 -25.951 631 2HB SER 85 3HB SER 85 2.841 4.565 -25.918 632 HG SER 85 HG SER 85 4.633 4.842 -28.143 633 H LYS 86 HN LYS 86 2.538 7.283 -25.831 634 HA LYS 86 HA LYS 86 3.338 8.674 -28.256 635 1HB LYS 86 2HB LYS 86 0.764 8.370 -26.726 636 2HB LYS 86 3HB LYS 86 0.962 9.689 -27.864 637 1HG LYS 86 2HG LYS 86 1.145 8.255 -29.719 638 2HG LYS 86 3HG LYS 86 1.737 6.912 -28.762 639 1HD LYS 86 2HD LYS 86 -0.375 6.169 -28.255 640 2HD LYS 86 3HD LYS 86 -0.992 7.787 -27.992 641 1HE LYS 86 2HE LYS 86 -0.838 8.055 -30.597 642 2HE LYS 86 3HE LYS 86 -0.680 6.310 -30.632 643 1HZ LYS 86 1HZ LYS 86 -2.903 7.803 -29.421 644 2HZ LYS 86 2HZ LYS 86 -2.959 6.950 -30.812 645 3HZ LYS 86 3HZ LYS 86 -2.750 6.177 -29.389 646 H ILE 87 HN ILE 87 4.816 9.003 -25.684 647 HA ILE 87 HA ILE 87 4.005 11.542 -24.651 648 HB ILE 87 HB ILE 87 5.231 9.571 -23.496 649 1HG1 ILE 87 2HG1 ILE 87 6.368 11.225 -21.954 650 2HG1 ILE 87 3HG1 ILE 87 5.919 12.491 -23.081 651 1HG2 ILE 87 1HG2 ILE 87 7.135 9.965 -25.358 652 2HG2 ILE 87 2HG2 ILE 87 7.758 11.015 -24.063 653 3HG2 ILE 87 3HG2 ILE 87 7.458 9.290 -23.743 654 1HD1 ILE 87 1HD1 ILE 87 3.546 10.983 -22.691 655 2HD1 ILE 87 2HD1 ILE 87 4.278 11.156 -21.077 656 3HD1 ILE 87 3HD1 ILE 87 3.908 12.603 -22.047 657 H ALA 88 HN ALA 88 6.203 10.302 -27.156 658 HA ALA 88 HA ALA 88 7.858 12.477 -27.468 659 1HB ALA 88 1HB ALA 88 8.551 10.805 -28.840 660 2HB ALA 88 2HB ALA 88 6.899 10.189 -29.085 661 3HB ALA 88 3HB ALA 88 7.480 11.578 -30.035 662 HHA HEM 95 HA HEM 95 27.143 13.007 -12.894 663 HHB HEM 95 HB HEM 95 22.962 11.047 -8.556 664 HHC HEM 95 HC HEM 95 18.206 12.700 -12.470 665 HHD HEM 95 HD HEM 95 22.437 14.698 -16.738 666 1HMA HEM 95 1HMA HEM 95 25.843 11.440 -7.527 667 2HMA HEM 95 2HMA HEM 95 26.451 9.965 -8.377 668 3HMA HEM 95 3HMA HEM 95 24.717 10.081 -7.950 669 1HAA HEM 95 1HAA HEM 95 27.889 10.770 -11.548 670 2HAA HEM 95 2HAA HEM 95 27.826 10.606 -9.699 671 1HBA HEM 95 1HBA HEM 95 29.211 11.856 -9.106 672 2HBA HEM 95 2HBA HEM 95 28.778 13.156 -10.274 673 1HMB HEM 95 1HMB HEM 95 20.183 11.638 -7.168 674 2HMB HEM 95 2HMB HEM 95 21.233 10.270 -7.730 675 3HMB HEM 95 3HMB HEM 95 19.462 10.129 -7.877 676 HAB HEM 95 HAB HEM 95 17.513 12.544 -9.752 677 1HBB HEM 95 HBB HEM 95 17.635 9.461 -9.734 678 2HBB HEM 95 HBB HEM 95 16.153 10.597 -9.540 679 1HMC HEM 95 1HMC HEM 95 17.132 14.373 -14.599 680 2HMC HEM 95 2HMC HEM 95 17.324 12.581 -14.390 681 3HMC HEM 95 3HMC HEM 95 17.435 13.304 -16.024 682 HAC HEM 95 HAC HEM 95 20.673 14.704 -17.664 683 1HBC HEM 95 HBC HEM 95 17.901 15.509 -16.563 684 2HBC HEM 95 HBC HEM 95 18.618 15.843 -18.266 685 1HMD HEM 95 1HMD HEM 95 24.852 16.366 -16.793 686 2HMD HEM 95 2HMD HEM 95 24.593 14.873 -17.789 687 3HMD HEM 95 3HMD HEM 95 26.261 15.359 -17.301 688 1HAD HEM 95 1HAD HEM 95 28.102 13.787 -14.262 689 2HAD HEM 95 2HAD HEM 95 27.680 15.396 -14.911 690 1HBD HEM 95 1HBD HEM 95 28.758 14.763 -16.834 691 2HBD HEM 95 2HBD HEM 95 27.375 13.710 -17.180 Start of MODEL 13 1 H VAL 4 HN VAL 4 1.981 -0.533 -7.915 2 HA VAL 4 HA VAL 4 4.037 1.426 -7.155 3 HB VAL 4 HB VAL 4 4.403 -0.347 -9.067 4 1HG1 VAL 4 1HG1 VAL 4 3.007 1.854 -10.617 5 2HG1 VAL 4 2HG1 VAL 4 3.686 0.334 -11.246 6 3HG1 VAL 4 3HG1 VAL 4 2.244 0.298 -10.203 7 1HG2 VAL 4 1HG2 VAL 4 5.188 2.282 -10.109 8 2HG2 VAL 4 2HG2 VAL 4 5.542 2.075 -8.378 9 3HG2 VAL 4 3HG2 VAL 4 6.192 0.917 -9.563 10 H LYS 5 HN LYS 5 3.725 3.551 -8.495 11 HA LYS 5 HA LYS 5 0.842 4.116 -8.540 12 1HB LYS 5 2HB LYS 5 3.164 5.797 -7.575 13 2HB LYS 5 3HB LYS 5 1.602 6.490 -7.964 14 1HG LYS 5 2HG LYS 5 2.132 4.298 -5.902 15 2HG LYS 5 3HG LYS 5 1.735 5.968 -5.552 16 1HD LYS 5 2HD LYS 5 -0.049 3.814 -6.725 17 2HD LYS 5 3HD LYS 5 -0.338 4.823 -5.322 18 1HE LYS 5 2HE LYS 5 -0.297 5.776 -8.226 19 2HE LYS 5 3HE LYS 5 -1.729 5.558 -7.242 20 1HZ LYS 5 1HZ LYS 5 -1.356 7.714 -6.841 21 2HZ LYS 5 2HZ LYS 5 -0.340 7.155 -5.691 22 3HZ LYS 5 3HZ LYS 5 0.250 7.645 -7.132 23 H TYR 6 HN TYR 6 0.020 4.693 -10.479 24 HA TYR 6 HA TYR 6 1.953 5.315 -12.588 25 1HB TYR 6 2HB TYR 6 -1.028 4.533 -12.501 26 2HB TYR 6 3HB TYR 6 -0.136 4.771 -13.991 27 HD1 TYR 6 HD1 TYR 6 2.381 3.389 -13.591 28 HD2 TYR 6 HD2 TYR 6 -1.538 2.278 -12.285 29 HE1 TYR 6 HE1 TYR 6 3.075 0.943 -13.562 30 HE2 TYR 6 HE2 TYR 6 -0.830 -0.163 -12.260 31 HH TYR 6 HH TYR 6 1.896 -1.265 -13.786 32 H TYR 7 HN TYR 7 2.346 7.489 -12.718 33 HA TYR 7 HA TYR 7 0.116 9.309 -12.253 34 1HB TYR 7 2HB TYR 7 3.032 9.922 -12.972 35 2HB TYR 7 3HB TYR 7 1.941 10.924 -12.035 36 HD1 TYR 7 HD1 TYR 7 4.771 9.011 -11.753 37 HD2 TYR 7 HD2 TYR 7 0.967 9.492 -9.855 38 HE1 TYR 7 HE1 TYR 7 5.713 8.036 -9.602 39 HE2 TYR 7 HE2 TYR 7 1.922 8.516 -7.710 40 HH TYR 7 HH TYR 7 4.455 8.438 -6.741 41 H THR 8 HN THR 8 -0.536 10.902 -13.788 42 HA THR 8 HA THR 8 -0.280 10.004 -16.509 43 HB THR 8 HB THR 8 -1.771 12.195 -16.727 44 HG1 THR 8 HG1 THR 8 -2.316 11.635 -13.984 45 1HG2 THR 8 1HG2 THR 8 -2.709 9.835 -16.707 46 2HG2 THR 8 2HG2 THR 8 -2.731 9.909 -14.929 47 3HG2 THR 8 3HG2 THR 8 -3.758 11.010 -15.878 48 H LEU 9 HN LEU 9 0.591 11.146 -18.281 49 HA LEU 9 HA LEU 9 3.068 12.248 -17.843 50 1HB LEU 9 2HB LEU 9 3.204 12.381 -20.080 51 2HB LEU 9 3HB LEU 9 1.802 11.335 -19.970 52 HG LEU 9 HG LEU 9 1.633 14.339 -20.320 53 1HD1 LEU 9 1HD1 LEU 9 1.919 12.133 -22.321 54 2HD1 LEU 9 2HD1 LEU 9 0.875 13.523 -22.707 55 3HD1 LEU 9 3HD1 LEU 9 2.594 13.780 -22.324 56 1HD2 LEU 9 1HD2 LEU 9 -0.315 12.320 -19.710 57 2HD2 LEU 9 2HD2 LEU 9 -0.526 14.077 -19.896 58 3HD2 LEU 9 3HD2 LEU 9 -0.653 13.011 -21.315 59 H GLU 10 HN GLU 10 -0.082 13.645 -17.381 60 HA GLU 10 HA GLU 10 0.574 16.303 -17.874 61 1HB GLU 10 2HB GLU 10 -1.638 14.785 -16.676 62 2HB GLU 10 3HB GLU 10 -1.387 16.313 -15.856 63 1HG GLU 10 2HG GLU 10 -2.738 17.090 -17.559 64 2HG GLU 10 3HG GLU 10 -1.202 17.223 -18.392 65 H GLU 11 HN GLU 11 1.038 14.144 -15.071 66 HA GLU 11 HA GLU 11 1.507 16.087 -13.170 67 1HB GLU 11 2HB GLU 11 1.746 13.220 -13.415 68 2HB GLU 11 3HB GLU 11 3.205 13.824 -12.655 69 1HG GLU 11 2HG GLU 11 2.012 13.868 -10.717 70 2HG GLU 11 3HG GLU 11 1.221 15.294 -11.360 71 H ILE 12 HN ILE 12 4.077 14.018 -14.708 72 HA ILE 12 HA ILE 12 6.261 15.343 -13.975 73 HB ILE 12 HB ILE 12 6.859 14.815 -16.593 74 1HG1 ILE 12 2HG1 ILE 12 4.282 14.074 -16.585 75 2HG1 ILE 12 3HG1 ILE 12 5.506 13.285 -17.561 76 1HG2 ILE 12 1HG2 ILE 12 6.766 12.963 -14.199 77 2HG2 ILE 12 2HG2 ILE 12 7.609 12.597 -15.723 78 3HG2 ILE 12 3HG2 ILE 12 8.122 13.985 -14.735 79 1HD1 ILE 12 1HD1 ILE 12 4.974 12.334 -14.730 80 2HD1 ILE 12 2HD1 ILE 12 3.942 11.800 -16.077 81 3HD1 ILE 12 3HD1 ILE 12 5.684 11.436 -16.093 82 H GLN 13 HN GLN 13 3.969 16.375 -16.549 83 HA GLN 13 HA GLN 13 5.490 18.477 -17.483 84 1HB GLN 13 2HB GLN 13 2.516 17.895 -17.446 85 2HB GLN 13 3HB GLN 13 3.111 19.403 -18.111 86 1HG GLN 13 2HG GLN 13 4.671 17.112 -19.093 87 2HG GLN 13 3HG GLN 13 2.965 16.917 -19.442 88 1HE2 GLN 13 1HE2 GLN 13 5.041 17.322 -21.325 89 2HE2 GLN 13 2HE2 GLN 13 4.754 18.805 -22.172 90 H LYS 14 HN LYS 14 2.459 18.911 -15.529 91 HA LYS 14 HA LYS 14 3.009 21.474 -14.733 92 1HB LYS 14 2HB LYS 14 1.391 20.951 -12.851 93 2HB LYS 14 3HB LYS 14 0.814 20.667 -14.479 94 1HG LYS 14 2HG LYS 14 0.320 18.544 -13.855 95 2HG LYS 14 3HG LYS 14 2.041 18.229 -13.763 96 1HD LYS 14 2HD LYS 14 2.069 18.295 -11.466 97 2HD LYS 14 3HD LYS 14 0.956 19.647 -11.387 98 1HE LYS 14 2HE LYS 14 -0.318 17.172 -12.398 99 2HE LYS 14 3HE LYS 14 0.336 16.988 -10.783 100 1HZ LYS 14 1HZ LYS 14 -1.291 18.222 -9.997 101 2HZ LYS 14 2HZ LYS 14 -0.989 19.451 -11.029 102 3HZ LYS 14 3HZ LYS 14 -1.988 18.238 -11.474 103 H HIS 15 HN HIS 15 4.507 18.484 -13.743 104 HA HIS 15 HA HIS 15 5.577 19.762 -11.356 105 1HB HIS 15 2HB HIS 15 5.695 16.895 -12.331 106 2HB HIS 15 3HB HIS 15 6.462 17.476 -10.866 107 HD1 HIS 15 HD1 HIS 15 4.343 19.102 -9.487 108 HD2 HIS 15 HD2 HIS 15 3.458 15.557 -11.548 109 HE1 HIS 15 HE1 HIS 15 2.139 18.247 -8.526 110 H LYS 16 HN LYS 16 6.409 21.010 -13.687 111 HA LYS 16 HA LYS 16 9.106 19.921 -14.085 112 1HB LYS 16 2HB LYS 16 7.625 20.046 -16.098 113 2HB LYS 16 3HB LYS 16 7.546 21.785 -15.898 114 1HG LYS 16 2HG LYS 16 10.277 21.366 -15.775 115 2HG LYS 16 3HG LYS 16 9.795 20.091 -16.876 116 1HD LYS 16 2HD LYS 16 8.427 21.939 -18.121 117 2HD LYS 16 3HD LYS 16 9.361 23.087 -17.182 118 1HE LYS 16 2HE LYS 16 11.465 22.247 -18.107 119 2HE LYS 16 3HE LYS 16 10.649 20.902 -18.881 120 1HZ LYS 16 1HZ LYS 16 10.716 23.677 -19.658 121 2HZ LYS 16 2HZ LYS 16 10.691 22.333 -20.588 122 3HZ LYS 16 3HZ LYS 16 9.309 22.892 -19.921 123 H ASP 17 HN ASP 17 8.324 21.374 -11.701 124 HA ASP 17 HA ASP 17 9.944 23.750 -12.166 125 1HB ASP 17 2HB ASP 17 7.235 23.526 -11.092 126 2HB ASP 17 3HB ASP 17 8.302 24.202 -9.877 127 H SER 18 HN SER 18 10.850 24.549 -9.884 128 HA SER 18 HA SER 18 12.360 22.536 -8.821 129 1HB SER 18 2HB SER 18 12.074 25.336 -8.486 130 2HB SER 18 3HB SER 18 11.894 24.668 -6.877 131 HG SER 18 HG SER 18 14.121 25.082 -7.319 132 H LYS 19 HN LYS 19 9.275 24.011 -7.638 133 HA LYS 19 HA LYS 19 9.044 22.847 -5.205 134 1HB LYS 19 2HB LYS 19 7.401 24.266 -6.940 135 2HB LYS 19 3HB LYS 19 6.538 22.757 -6.717 136 1HG LYS 19 2HG LYS 19 5.819 23.541 -4.714 137 2HG LYS 19 3HG LYS 19 7.465 23.409 -4.128 138 1HD LYS 19 2HD LYS 19 6.575 25.854 -5.700 139 2HD LYS 19 3HD LYS 19 6.256 25.735 -3.981 140 1HE LYS 19 2HE LYS 19 9.059 25.111 -4.861 141 2HE LYS 19 3HE LYS 19 8.557 26.785 -4.994 142 1HZ LYS 19 1HZ LYS 19 8.687 25.128 -2.594 143 2HZ LYS 19 2HZ LYS 19 9.353 26.595 -2.861 144 3HZ LYS 19 3HZ LYS 19 7.742 26.460 -2.626 145 H SER 20 HN SER 20 8.104 21.377 -8.387 146 HA SER 20 HA SER 20 8.527 18.805 -7.110 147 1HB SER 20 2HB SER 20 6.006 19.827 -8.343 148 2HB SER 20 3HB SER 20 6.459 18.198 -8.802 149 HG SER 20 HG SER 20 6.284 19.121 -6.061 150 H THR 21 HN THR 21 10.453 18.382 -8.238 151 HA THR 21 HA THR 21 10.358 18.661 -11.158 152 HB THR 21 HB THR 21 12.534 18.613 -9.037 153 HG1 THR 21 HG1 THR 21 11.835 20.161 -11.432 154 1HG2 THR 21 1HG2 THR 21 13.650 18.930 -11.666 155 2HG2 THR 21 2HG2 THR 21 14.034 17.665 -10.473 156 3HG2 THR 21 3HG2 THR 21 12.741 17.400 -11.668 157 H TRP 22 HN TRP 22 9.715 16.929 -12.265 158 HA TRP 22 HA TRP 22 10.525 14.315 -11.185 159 1HB TRP 22 2HB TRP 22 7.967 15.267 -12.393 160 2HB TRP 22 3HB TRP 22 8.477 13.622 -12.718 161 HD1 TRP 22 HD1 TRP 22 9.396 14.885 -9.253 162 HE1 TRP 22 HE1 TRP 22 7.909 13.785 -7.371 163 HE3 TRP 22 HE3 TRP 22 6.048 12.738 -12.421 164 HZ2 TRP 22 HZ2 TRP 22 5.552 12.176 -7.417 165 HZ3 TRP 22 HZ3 TRP 22 4.183 11.420 -11.421 166 HH2 TRP 22 HH2 TRP 22 3.906 11.123 -9.010 167 H VAL 23 HN VAL 23 10.906 12.658 -12.954 168 HA VAL 23 HA VAL 23 11.359 13.669 -15.594 169 HB VAL 23 HB VAL 23 13.336 14.526 -14.494 170 1HG1 VAL 23 1HG1 VAL 23 13.318 12.855 -12.609 171 2HG1 VAL 23 2HG1 VAL 23 14.037 11.675 -13.730 172 3HG1 VAL 23 3HG1 VAL 23 14.921 13.163 -13.318 173 1HG2 VAL 23 1HG2 VAL 23 14.849 12.483 -15.785 174 2HG2 VAL 23 2HG2 VAL 23 13.332 12.690 -16.692 175 3HG2 VAL 23 3HG2 VAL 23 14.394 14.089 -16.405 176 H ILE 24 HN ILE 24 10.803 12.040 -16.946 177 HA ILE 24 HA ILE 24 10.274 9.469 -15.880 178 HB ILE 24 HB ILE 24 10.250 10.602 -18.674 179 1HG1 ILE 24 2HG1 ILE 24 7.788 9.709 -17.269 180 2HG1 ILE 24 3HG1 ILE 24 8.559 11.150 -16.636 181 1HG2 ILE 24 1HG2 ILE 24 10.728 8.141 -18.643 182 2HG2 ILE 24 2HG2 ILE 24 9.170 7.908 -17.815 183 3HG2 ILE 24 3HG2 ILE 24 9.211 8.600 -19.454 184 1HD1 ILE 24 1HD1 ILE 24 8.673 11.624 -19.365 185 2HD1 ILE 24 2HD1 ILE 24 7.131 10.749 -19.200 186 3HD1 ILE 24 3HD1 ILE 24 7.409 12.245 -18.275 187 H LEU 25 HN LEU 25 11.792 7.994 -15.362 188 HA LEU 25 HA LEU 25 14.119 7.835 -17.148 189 1HB LEU 25 2HB LEU 25 13.976 8.282 -14.280 190 2HB LEU 25 3HB LEU 25 14.911 6.851 -14.666 191 HG LEU 25 HG LEU 25 16.484 8.078 -15.946 192 1HD1 LEU 25 1HD1 LEU 25 16.016 10.708 -16.057 193 2HD1 LEU 25 2HD1 LEU 25 15.481 9.576 -17.323 194 3HD1 LEU 25 3HD1 LEU 25 14.334 10.129 -16.078 195 1HD2 LEU 25 1HD2 LEU 25 15.766 9.712 -13.497 196 2HD2 LEU 25 2HD2 LEU 25 16.796 8.261 -13.539 197 3HD2 LEU 25 3HD2 LEU 25 17.324 9.751 -14.357 198 H HIS 26 HN HIS 26 14.071 5.981 -18.288 199 HA HIS 26 HA HIS 26 13.371 3.971 -18.919 200 1HB HIS 26 2HB HIS 26 14.146 2.836 -16.273 201 2HB HIS 26 3HB HIS 26 14.568 2.311 -17.891 202 HD1 HIS 26 HD1 HIS 26 15.403 5.188 -15.500 203 HD2 HIS 26 HD2 HIS 26 17.094 3.029 -18.674 204 HE1 HIS 26 HE1 HIS 26 17.808 6.011 -15.724 205 H HIS 27 HN HIS 27 11.092 5.172 -18.476 206 HA HIS 27 HA HIS 27 8.993 4.983 -17.860 207 1HB HIS 27 2HB HIS 27 9.265 2.075 -17.236 208 2HB HIS 27 3HB HIS 27 8.014 2.919 -18.125 209 HD1 HIS 27 HD1 HIS 27 9.381 4.195 -20.446 210 HD2 HIS 27 HD2 HIS 27 10.550 0.440 -18.988 211 HE1 HIS 27 HE1 HIS 27 10.600 3.030 -22.362 212 H LYS 28 HN LYS 28 10.374 6.126 -15.881 213 HA LYS 28 HA LYS 28 8.890 5.443 -13.594 214 1HB LYS 28 2HB LYS 28 11.179 3.847 -13.916 215 2HB LYS 28 3HB LYS 28 11.638 5.056 -12.733 216 1HG LYS 28 2HG LYS 28 10.061 4.346 -11.174 217 2HG LYS 28 3HG LYS 28 8.918 3.828 -12.397 218 1HD LYS 28 2HD LYS 28 9.614 1.699 -12.045 219 2HD LYS 28 3HD LYS 28 11.142 2.134 -12.784 220 1HE LYS 28 2HE LYS 28 12.081 1.608 -10.772 221 2HE LYS 28 3HE LYS 28 11.461 3.151 -10.219 222 1HZ LYS 28 1HZ LYS 28 10.830 0.947 -9.037 223 2HZ LYS 28 2HZ LYS 28 9.743 2.158 -9.162 224 3HZ LYS 28 3HZ LYS 28 9.661 0.879 -10.174 225 H VAL 29 HN VAL 29 8.403 7.470 -12.961 226 HA VAL 29 HA VAL 29 10.098 9.648 -13.621 227 HB VAL 29 HB VAL 29 8.426 10.989 -12.583 228 1HG1 VAL 29 1HG1 VAL 29 6.625 8.865 -13.624 229 2HG1 VAL 29 2HG1 VAL 29 6.767 10.580 -14.080 230 3HG1 VAL 29 3HG1 VAL 29 7.937 9.393 -14.706 231 1HG2 VAL 29 1HG2 VAL 29 6.916 8.621 -11.520 232 2HG2 VAL 29 2HG2 VAL 29 8.267 9.293 -10.576 233 3HG2 VAL 29 3HG2 VAL 29 6.880 10.323 -11.001 234 H TYR 30 HN TYR 30 11.499 10.850 -12.324 235 HA TYR 30 HA TYR 30 12.046 9.643 -9.695 236 1HB TYR 30 2HB TYR 30 13.670 10.783 -12.009 237 2HB TYR 30 3HB TYR 30 14.336 10.959 -10.396 238 HD1 TYR 30 HD1 TYR 30 12.374 7.994 -10.618 239 HD2 TYR 30 HD2 TYR 30 16.223 9.596 -11.576 240 HE1 TYR 30 HE1 TYR 30 13.328 5.641 -10.754 241 HE2 TYR 30 HE2 TYR 30 17.164 7.238 -11.708 242 HH TYR 30 HH TYR 30 15.108 4.475 -11.701 243 H ASP 31 HN ASP 31 11.222 10.930 -8.114 244 HA ASP 31 HA ASP 31 10.860 13.699 -8.609 245 1HB ASP 31 2HB ASP 31 9.265 12.447 -7.218 246 2HB ASP 31 3HB ASP 31 10.540 11.969 -6.115 247 H LEU 32 HN LEU 32 13.247 14.158 -9.010 248 HA LEU 32 HA LEU 32 14.930 13.975 -6.650 249 1HB LEU 32 2HB LEU 32 16.729 14.596 -8.134 250 2HB LEU 32 3HB LEU 32 15.834 13.226 -8.761 251 HG LEU 32 HG LEU 32 14.709 15.619 -9.872 252 1HD1 LEU 32 1HD1 LEU 32 17.554 15.458 -10.742 253 2HD1 LEU 32 2HD1 LEU 32 16.429 16.837 -10.726 254 3HD1 LEU 32 3HD1 LEU 32 17.199 16.298 -9.214 255 1HD2 LEU 32 1HD2 LEU 32 16.195 13.232 -10.974 256 2HD2 LEU 32 2HD2 LEU 32 14.447 13.564 -10.994 257 3HD2 LEU 32 3HD2 LEU 32 15.546 14.526 -12.010 258 H THR 33 HN THR 33 12.636 15.664 -6.394 259 HA THR 33 HA THR 33 13.133 18.336 -7.018 260 HB THR 33 HB THR 33 11.594 17.081 -4.682 261 HG1 THR 33 HG1 THR 33 10.027 16.824 -6.299 262 1HG2 THR 33 1HG2 THR 33 10.621 19.514 -6.122 263 2HG2 THR 33 2HG2 THR 33 10.542 19.121 -4.387 264 3HG2 THR 33 3HG2 THR 33 12.043 19.777 -5.084 265 H LYS 34 HN LYS 34 13.875 16.508 -3.977 266 HA LYS 34 HA LYS 34 15.178 18.739 -2.822 267 1HB LYS 34 2HB LYS 34 15.627 15.877 -1.998 268 2HB LYS 34 3HB LYS 34 15.616 17.322 -1.006 269 1HG LYS 34 2HG LYS 34 13.422 16.973 -0.567 270 2HG LYS 34 3HG LYS 34 13.060 17.247 -2.260 271 1HD LYS 34 2HD LYS 34 14.054 14.631 -2.260 272 2HD LYS 34 3HD LYS 34 13.168 14.705 -0.750 273 1HE LYS 34 2HE LYS 34 11.639 15.994 -2.889 274 2HE LYS 34 3HE LYS 34 12.086 14.366 -3.356 275 1HZ LYS 34 1HZ LYS 34 10.038 14.985 -1.767 276 2HZ LYS 34 2HZ LYS 34 10.746 13.514 -1.824 277 3HZ LYS 34 3HZ LYS 34 11.169 14.580 -0.661 278 H TYR 35 HN TYR 35 16.179 15.975 -4.855 279 HA TYR 35 HA TYR 35 18.971 16.710 -4.558 280 1HB TYR 35 2HB TYR 35 18.038 14.321 -4.655 281 2HB TYR 35 3HB TYR 35 17.434 14.653 -6.265 282 HD1 TYR 35 HD1 TYR 35 18.868 14.540 -8.184 283 HD2 TYR 35 HD2 TYR 35 20.516 14.221 -4.249 284 HE1 TYR 35 HE1 TYR 35 21.083 13.769 -9.166 285 HE2 TYR 35 HE2 TYR 35 22.726 13.452 -5.245 286 HH TYR 35 HH TYR 35 23.691 13.960 -8.091 287 H LEU 36 HN LEU 36 16.698 18.366 -5.990 288 HA LEU 36 HA LEU 36 17.522 18.340 -8.723 289 1HB LEU 36 2HB LEU 36 15.262 18.872 -8.183 290 2HB LEU 36 3HB LEU 36 15.752 20.149 -7.085 291 HG LEU 36 HG LEU 36 14.828 20.826 -9.367 292 1HD1 LEU 36 1HD1 LEU 36 16.988 21.921 -7.789 293 2HD1 LEU 36 2HD1 LEU 36 17.159 22.376 -9.501 294 3HD1 LEU 36 3HD1 LEU 36 15.654 22.749 -8.628 295 1HD2 LEU 36 1HD2 LEU 36 17.491 19.687 -10.202 296 2HD2 LEU 36 2HD2 LEU 36 15.876 19.404 -10.897 297 3HD2 LEU 36 3HD2 LEU 36 16.685 20.971 -11.134 298 H GLU 37 HN GLU 37 18.061 20.485 -5.858 299 HA GLU 37 HA GLU 37 19.935 22.004 -7.431 300 1HB GLU 37 2HB GLU 37 20.024 23.505 -5.483 301 2HB GLU 37 3HB GLU 37 18.359 23.184 -5.927 302 1HG GLU 37 2HG GLU 37 17.963 21.833 -4.049 303 2HG GLU 37 3HG GLU 37 19.646 21.367 -3.892 304 H GLU 38 HN GLU 38 19.958 19.136 -5.661 305 HA GLU 38 HA GLU 38 22.532 19.575 -4.466 306 1HB GLU 38 2HB GLU 38 20.359 17.959 -3.832 307 2HB GLU 38 3HB GLU 38 21.481 16.807 -4.527 308 1HG GLU 38 2HG GLU 38 23.074 18.459 -2.856 309 2HG GLU 38 3HG GLU 38 21.606 18.177 -1.941 310 H HIS 39 HN HIS 39 21.107 18.269 -7.406 311 HA HIS 39 HA HIS 39 22.955 16.423 -8.181 312 1HB HIS 39 2HB HIS 39 20.776 17.176 -9.297 313 2HB HIS 39 3HB HIS 39 21.719 18.441 -10.061 314 HD1 HIS 39 HD1 HIS 39 21.858 17.680 -12.453 315 HD2 HIS 39 HD2 HIS 39 22.793 14.617 -9.744 316 HE1 HIS 39 HE1 HIS 39 22.650 15.701 -13.857 317 HA PRO 40 HA PRO 40 26.568 18.825 -8.552 318 1HB PRO 40 2HB PRO 40 28.255 16.844 -9.387 319 2HB PRO 40 3HB PRO 40 27.873 17.130 -7.700 320 1HG PRO 40 2HG PRO 40 26.905 14.978 -9.482 321 2HG PRO 40 3HG PRO 40 26.885 15.046 -7.731 322 1HD PRO 40 2HD PRO 40 24.657 15.466 -9.490 323 2HD PRO 40 3HD PRO 40 24.665 15.648 -7.747 324 H GLY 41 HN GLY 41 25.253 16.921 -11.123 325 1HA GLY 41 1HA GLY 41 26.897 17.884 -13.191 326 2HA GLY 41 2HA GLY 41 25.292 17.199 -13.352 327 H GLY 42 HN GLY 42 23.421 18.747 -12.563 328 1HA GLY 42 1HA GLY 42 23.865 21.546 -12.618 329 2HA GLY 42 2HA GLY 42 23.377 20.985 -14.205 330 H GLU 43 HN GLU 43 21.883 22.719 -12.303 331 HA GLU 43 HA GLU 43 19.783 20.993 -11.369 332 1HB GLU 43 2HB GLU 43 18.872 23.006 -10.321 333 2HB GLU 43 3HB GLU 43 20.586 22.897 -9.976 334 1HG GLU 43 2HG GLU 43 20.677 24.348 -12.298 335 2HG GLU 43 3HG GLU 43 19.114 24.859 -11.694 336 H GLU 44 HN GLU 44 20.623 22.809 -14.195 337 HA GLU 44 HA GLU 44 17.891 23.246 -14.952 338 1HB GLU 44 2HB GLU 44 20.521 23.746 -16.412 339 2HB GLU 44 3HB GLU 44 18.949 24.171 -17.059 340 1HG GLU 44 2HG GLU 44 19.441 25.135 -14.282 341 2HG GLU 44 3HG GLU 44 20.500 25.834 -15.489 342 H VAL 45 HN VAL 45 20.746 21.357 -16.179 343 HA VAL 45 HA VAL 45 19.687 20.089 -18.283 344 HB VAL 45 HB VAL 45 21.863 19.558 -17.883 345 1HG1 VAL 45 1HG1 VAL 45 22.433 18.489 -15.480 346 2HG1 VAL 45 2HG1 VAL 45 22.468 20.241 -15.797 347 3HG1 VAL 45 3HG1 VAL 45 21.045 19.505 -15.020 348 1HG2 VAL 45 1HG2 VAL 45 20.879 17.083 -16.508 349 2HG2 VAL 45 2HG2 VAL 45 20.272 17.457 -18.139 350 3HG2 VAL 45 3HG2 VAL 45 22.020 17.263 -17.862 351 H LEU 46 HN LEU 46 18.768 19.688 -14.886 352 HA LEU 46 HA LEU 46 17.246 17.303 -15.459 353 1HB LEU 46 2HB LEU 46 17.142 18.884 -12.911 354 2HB LEU 46 3HB LEU 46 16.864 17.172 -13.163 355 HG LEU 46 HG LEU 46 19.591 18.292 -13.720 356 1HD1 LEU 46 1HD1 LEU 46 18.646 17.552 -10.939 357 2HD1 LEU 46 2HD1 LEU 46 20.270 18.095 -11.423 358 3HD1 LEU 46 3HD1 LEU 46 18.892 19.218 -11.519 359 1HD2 LEU 46 1HD2 LEU 46 18.349 15.653 -13.247 360 2HD2 LEU 46 2HD2 LEU 46 19.759 16.108 -14.233 361 3HD2 LEU 46 3HD2 LEU 46 19.932 15.907 -12.473 362 H ARG 47 HN ARG 47 16.453 20.590 -14.112 363 HA ARG 47 HA ARG 47 13.764 20.339 -14.415 364 1HB ARG 47 2HB ARG 47 15.568 22.801 -14.542 365 2HB ARG 47 3HB ARG 47 13.820 22.928 -14.521 366 1HG ARG 47 2HG ARG 47 14.291 21.181 -12.406 367 2HG ARG 47 3HG ARG 47 15.689 22.234 -12.320 368 1HD ARG 47 2HD ARG 47 13.484 23.970 -12.789 369 2HD ARG 47 3HD ARG 47 12.907 22.807 -11.611 370 HE ARG 47 HE ARG 47 14.415 23.674 -10.030 371 1HH1 ARG 47 1HH1 ARG 47 16.818 26.181 -10.370 372 2HH1 ARG 47 2HH1 ARG 47 15.952 25.177 -9.255 373 1HH2 ARG 47 1HH2 ARG 47 16.418 26.001 -12.648 374 2HH2 ARG 47 2HH2 ARG 47 15.252 24.860 -13.235 375 H GLU 48 HN GLU 48 16.134 21.961 -16.658 376 HA GLU 48 HA GLU 48 14.613 22.869 -18.578 377 1HB GLU 48 2HB GLU 48 17.123 22.774 -18.584 378 2HB GLU 48 3HB GLU 48 17.043 21.101 -19.098 379 1HG GLU 48 2HG GLU 48 16.502 21.649 -21.260 380 2HG GLU 48 3HG GLU 48 15.403 22.923 -20.770 381 H GLN 49 HN GLN 49 15.347 19.371 -18.082 382 HA GLN 49 HA GLN 49 13.090 18.826 -19.839 383 1HB GLN 49 2HB GLN 49 14.278 16.849 -20.738 384 2HB GLN 49 3HB GLN 49 15.149 18.327 -21.092 385 1HG GLN 49 2HG GLN 49 16.337 17.736 -18.730 386 2HG GLN 49 3HG GLN 49 15.857 16.112 -19.181 387 1HE2 GLN 49 1HE2 GLN 49 18.100 18.589 -19.572 388 2HE2 GLN 49 2HE2 GLN 49 19.026 17.956 -20.892 389 H ALA 50 HN ALA 50 12.685 19.110 -17.146 390 HA ALA 50 HA ALA 50 13.137 16.721 -15.692 391 1HB ALA 50 1HB ALA 50 12.868 18.543 -14.301 392 2HB ALA 50 2HB ALA 50 11.631 19.291 -15.340 393 3HB ALA 50 3HB ALA 50 11.200 17.920 -14.291 394 H GLY 51 HN GLY 51 9.833 18.022 -15.931 395 1HA GLY 51 1HA GLY 51 8.443 15.735 -15.887 396 2HA GLY 51 2HA GLY 51 7.931 17.139 -16.801 397 H GLY 52 HN GLY 52 10.265 17.035 -18.685 398 1HA GLY 52 1HA GLY 52 9.127 15.491 -20.714 399 2HA GLY 52 2HA GLY 52 10.747 16.160 -20.697 400 H ASP 53 HN ASP 53 11.905 14.405 -21.525 401 HA ASP 53 HA ASP 53 11.843 12.051 -19.810 402 1HB ASP 53 2HB ASP 53 12.242 10.645 -21.797 403 2HB ASP 53 3HB ASP 53 10.753 11.551 -21.980 404 H ALA 54 HN ALA 54 13.854 11.998 -18.791 405 HA ALA 54 HA ALA 54 16.163 12.904 -20.370 406 1HB ALA 54 1HB ALA 54 16.118 12.834 -17.358 407 2HB ALA 54 2HB ALA 54 17.062 13.874 -18.452 408 3HB ALA 54 3HB ALA 54 15.324 14.174 -18.217 409 H THR 55 HN THR 55 14.926 10.231 -20.452 410 HA THR 55 HA THR 55 16.294 8.458 -18.749 411 HB THR 55 HB THR 55 14.844 8.246 -21.424 412 HG1 THR 55 HG1 THR 55 13.337 8.279 -19.789 413 1HG2 THR 55 1HG2 THR 55 16.727 6.386 -20.816 414 2HG2 THR 55 2HG2 THR 55 15.428 5.818 -19.739 415 3HG2 THR 55 3HG2 THR 55 15.146 5.931 -21.493 416 H GLU 56 HN GLU 56 16.888 9.124 -22.271 417 HA GLU 56 HA GLU 56 19.310 7.766 -22.231 418 1HB GLU 56 2HB GLU 56 18.232 9.898 -24.125 419 2HB GLU 56 3HB GLU 56 19.692 8.981 -24.434 420 1HG GLU 56 2HG GLU 56 17.309 7.335 -23.707 421 2HG GLU 56 3HG GLU 56 17.174 8.198 -25.227 422 H ASN 57 HN ASN 57 18.410 11.180 -21.629 423 HA ASN 57 HA ASN 57 20.973 12.217 -21.769 424 1HB ASN 57 2HB ASN 57 18.340 13.043 -20.574 425 2HB ASN 57 3HB ASN 57 19.754 13.862 -19.940 426 1HD2 ASN 57 1HD2 ASN 57 18.287 12.835 -23.013 427 2HD2 ASN 57 2HD2 ASN 57 18.713 14.233 -23.942 428 H PHE 58 HN PHE 58 19.288 10.234 -19.409 429 HA PHE 58 HA PHE 58 21.056 10.987 -17.243 430 1HB PHE 58 2HB PHE 58 18.818 10.532 -16.536 431 2HB PHE 58 3HB PHE 58 18.593 9.283 -17.743 432 HD1 PHE 58 HD1 PHE 58 19.366 9.965 -14.334 433 HD2 PHE 58 HD2 PHE 58 19.840 7.066 -17.397 434 HE1 PHE 58 HE1 PHE 58 19.823 8.208 -12.600 435 HE2 PHE 58 HE2 PHE 58 20.296 5.309 -15.664 436 HZ PHE 58 HZ PHE 58 20.282 5.900 -13.286 437 H GLU 59 HN GLU 59 20.405 8.234 -19.471 438 HA GLU 59 HA GLU 59 22.347 6.613 -18.172 439 1HB GLU 59 2HB GLU 59 20.757 6.311 -20.749 440 2HB GLU 59 3HB GLU 59 21.919 5.113 -20.220 441 1HG GLU 59 2HG GLU 59 20.560 5.280 -17.916 442 2HG GLU 59 3HG GLU 59 19.289 5.892 -18.955 443 H ASP 60 HN ASP 60 22.178 8.793 -20.997 444 HA ASP 60 HA ASP 60 24.426 7.986 -22.314 445 1HB ASP 60 2HB ASP 60 22.822 9.684 -23.155 446 2HB ASP 60 3HB ASP 60 23.326 10.807 -21.908 447 H VAL 61 HN VAL 61 23.976 10.321 -19.576 448 HA VAL 61 HA VAL 61 26.694 11.087 -19.453 449 HB VAL 61 HB VAL 61 26.071 12.208 -17.448 450 1HG1 VAL 61 1HG1 VAL 61 23.665 13.096 -18.274 451 2HG1 VAL 61 2HG1 VAL 61 25.196 13.554 -19.059 452 3HG1 VAL 61 3HG1 VAL 61 24.191 12.259 -19.754 453 1HG2 VAL 61 1HG2 VAL 61 23.316 11.380 -17.129 454 2HG2 VAL 61 2HG2 VAL 61 24.406 9.980 -16.998 455 3HG2 VAL 61 3HG2 VAL 61 24.641 11.392 -15.941 456 H GLY 62 HN GLY 62 24.960 8.224 -18.546 457 1HA GLY 62 1HA GLY 62 25.604 6.340 -17.506 458 2HA GLY 62 2HA GLY 62 27.263 6.866 -17.716 459 H HIS 63 HN HIS 63 24.385 7.058 -15.581 460 HA HIS 63 HA HIS 63 25.718 8.506 -13.552 461 1HB HIS 63 2HB HIS 63 23.135 6.978 -13.753 462 2HB HIS 63 3HB HIS 63 23.705 7.534 -12.192 463 HD1 HIS 63 HD1 HIS 63 23.040 9.038 -15.662 464 HD2 HIS 63 HD2 HIS 63 22.909 10.078 -11.600 465 HE1 HIS 63 HE1 HIS 63 22.077 11.399 -15.560 466 H SER 64 HN SER 64 26.749 7.788 -11.666 467 HA SER 64 HA SER 64 27.823 5.164 -11.888 468 1HB SER 64 2HB SER 64 28.378 7.632 -10.362 469 2HB SER 64 3HB SER 64 28.633 6.180 -9.415 470 HG SER 64 HG SER 64 29.764 5.564 -11.698 471 H THR 65 HN THR 65 27.965 3.820 -9.695 472 HA THR 65 HA THR 65 25.443 2.890 -9.090 473 HB THR 65 HB THR 65 28.223 2.679 -7.945 474 HG1 THR 65 HG1 THR 65 26.047 0.851 -8.684 475 1HG2 THR 65 1HG2 THR 65 26.560 2.761 -5.952 476 2HG2 THR 65 2HG2 THR 65 25.819 1.304 -6.657 477 3HG2 THR 65 3HG2 THR 65 27.515 1.268 -6.117 478 H ASP 66 HN ASP 66 27.438 5.304 -7.287 479 HA ASP 66 HA ASP 66 26.029 5.628 -5.086 480 1HB ASP 66 2HB ASP 66 26.816 7.989 -6.853 481 2HB ASP 66 3HB ASP 66 26.672 7.998 -5.107 482 H ALA 67 HN ALA 67 25.171 6.831 -8.386 483 HA ALA 67 HA ALA 67 22.886 8.275 -7.575 484 1HB ALA 67 1HB ALA 67 24.293 8.461 -9.729 485 2HB ALA 67 2HB ALA 67 23.369 7.053 -10.308 486 3HB ALA 67 3HB ALA 67 22.524 8.566 -9.902 487 H ARG 68 HN ARG 68 23.424 4.948 -8.898 488 HA ARG 68 HA ARG 68 20.966 4.111 -9.309 489 1HB ARG 68 2HB ARG 68 23.313 2.837 -9.147 490 2HB ARG 68 3HB ARG 68 22.718 2.352 -7.571 491 1HG ARG 68 2HG ARG 68 21.573 0.689 -8.606 492 2HG ARG 68 3HG ARG 68 20.517 1.918 -9.273 493 1HD ARG 68 2HD ARG 68 22.474 2.165 -11.088 494 2HD ARG 68 3HD ARG 68 22.877 0.541 -10.568 495 HE ARG 68 HE ARG 68 20.158 0.370 -10.984 496 1HH1 ARG 68 1HH1 ARG 68 19.950 0.151 -14.460 497 2HH1 ARG 68 2HH1 ARG 68 19.145 -0.169 -12.961 498 1HH2 ARG 68 1HH2 ARG 68 22.056 1.126 -14.463 499 2HH2 ARG 68 2HH2 ARG 68 22.823 1.534 -12.964 500 H GLU 69 HN GLU 69 22.529 4.487 -6.074 501 HA GLU 69 HA GLU 69 20.369 3.400 -4.661 502 1HB GLU 69 2HB GLU 69 22.961 4.615 -4.079 503 2HB GLU 69 3HB GLU 69 21.751 5.183 -2.944 504 1HG GLU 69 2HG GLU 69 21.194 2.440 -3.139 505 2HG GLU 69 3HG GLU 69 22.944 2.494 -3.224 506 H LEU 70 HN LEU 70 21.506 6.836 -5.069 507 HA LEU 70 HA LEU 70 19.459 8.074 -3.759 508 1HB LEU 70 2HB LEU 70 21.301 8.815 -5.978 509 2HB LEU 70 3HB LEU 70 19.948 9.879 -5.652 510 HG LEU 70 HG LEU 70 20.793 10.603 -3.663 511 1HD1 LEU 70 1HD1 LEU 70 20.782 8.688 -2.341 512 2HD1 LEU 70 2HD1 LEU 70 21.970 7.849 -3.367 513 3HD1 LEU 70 3HD1 LEU 70 22.489 9.193 -2.324 514 1HD2 LEU 70 1HD2 LEU 70 22.708 10.335 -5.704 515 2HD2 LEU 70 2HD2 LEU 70 22.706 11.490 -4.350 516 3HD2 LEU 70 3HD2 LEU 70 23.546 9.930 -4.187 517 H SER 71 HN SER 71 19.601 7.560 -7.359 518 HA SER 71 HA SER 71 17.194 8.411 -8.032 519 1HB SER 71 2HB SER 71 17.209 6.351 -9.696 520 2HB SER 71 3HB SER 71 18.431 7.600 -9.828 521 HG SER 71 HG SER 71 18.682 4.995 -8.605 522 H LYS 72 HN LYS 72 17.898 5.045 -6.841 523 HA LYS 72 HA LYS 72 15.230 4.213 -6.854 524 1HB LYS 72 2HB LYS 72 17.815 3.180 -6.079 525 2HB LYS 72 3HB LYS 72 16.626 2.779 -4.858 526 1HG LYS 72 2HG LYS 72 15.825 2.415 -7.740 527 2HG LYS 72 3HG LYS 72 16.975 1.272 -7.073 528 1HD LYS 72 2HD LYS 72 14.771 1.736 -5.197 529 2HD LYS 72 3HD LYS 72 14.156 1.236 -6.760 530 1HE LYS 72 2HE LYS 72 15.725 -0.727 -6.736 531 2HE LYS 72 3HE LYS 72 16.304 -0.234 -5.157 532 1HZ LYS 72 1HZ LYS 72 14.022 -1.696 -5.767 533 2HZ LYS 72 2HZ LYS 72 14.608 -1.306 -4.293 534 3HZ LYS 72 3HZ LYS 72 13.547 -0.313 -5.041 535 H THR 73 HN THR 73 17.225 5.985 -4.475 536 HA THR 73 HA THR 73 15.318 5.744 -2.370 537 HB THR 73 HB THR 73 17.957 7.002 -2.918 538 HG1 THR 73 HG1 THR 73 17.809 5.226 -1.500 539 1HG2 THR 73 1HG2 THR 73 16.640 9.050 -2.253 540 2HG2 THR 73 2HG2 THR 73 16.064 8.177 -0.813 541 3HG2 THR 73 3HG2 THR 73 17.795 8.557 -0.992 542 H TYR 74 HN TYR 74 15.783 7.941 -5.117 543 HA TYR 74 HA TYR 74 13.702 9.686 -4.031 544 1HB TYR 74 2HB TYR 74 15.831 9.732 -6.230 545 2HB TYR 74 3HB TYR 74 14.516 10.887 -6.296 546 HD1 TYR 74 HD1 TYR 74 17.450 9.787 -4.319 547 HD2 TYR 74 HD2 TYR 74 14.456 12.797 -4.839 548 HE1 TYR 74 HE1 TYR 74 18.715 11.329 -2.742 549 HE2 TYR 74 HE2 TYR 74 15.731 14.329 -3.262 550 HH TYR 74 HH TYR 74 18.409 14.425 -2.622 551 H ILE 75 HN ILE 75 12.908 7.034 -4.837 552 HA ILE 75 HA ILE 75 11.553 7.604 -7.377 553 HB ILE 75 HB ILE 75 13.094 5.638 -7.246 554 1HG1 ILE 75 2HG1 ILE 75 11.537 4.108 -8.397 555 2HG1 ILE 75 3HG1 ILE 75 10.176 5.058 -7.834 556 1HG2 ILE 75 1HG2 ILE 75 12.125 5.145 -4.813 557 2HG2 ILE 75 2HG2 ILE 75 11.026 4.104 -5.748 558 3HG2 ILE 75 3HG2 ILE 75 12.786 3.864 -5.857 559 1HD1 ILE 75 1HD1 ILE 75 11.417 5.478 -10.230 560 2HD1 ILE 75 2HD1 ILE 75 10.555 6.755 -9.337 561 3HD1 ILE 75 3HD1 ILE 75 12.325 6.614 -9.203 562 H ILE 76 HN ILE 76 9.306 7.517 -7.507 563 HA ILE 76 HA ILE 76 7.943 7.024 -4.954 564 HB ILE 76 HB ILE 76 6.590 8.897 -5.207 565 1HG1 ILE 76 2HG1 ILE 76 6.404 8.436 -7.789 566 2HG1 ILE 76 3HG1 ILE 76 6.073 10.026 -7.130 567 1HG2 ILE 76 1HG2 ILE 76 9.405 9.642 -6.038 568 2HG2 ILE 76 2HG2 ILE 76 8.177 10.801 -5.478 569 3HG2 ILE 76 3HG2 ILE 76 8.755 9.521 -4.386 570 1HD1 ILE 76 1HD1 ILE 76 7.526 10.324 -9.045 571 2HD1 ILE 76 2HD1 ILE 76 8.502 10.643 -7.591 572 3HD1 ILE 76 3HD1 ILE 76 8.659 9.089 -8.445 573 H GLY 77 HN GLY 77 8.017 6.854 -8.513 574 1HA GLY 77 1HA GLY 77 6.699 4.478 -8.757 575 2HA GLY 77 2HA GLY 77 5.414 5.669 -8.745 576 H GLU 78 HN GLU 78 5.166 4.699 -11.033 577 HA GLU 78 HA GLU 78 6.982 6.116 -12.824 578 1HB GLU 78 2HB GLU 78 6.672 4.379 -14.457 579 2HB GLU 78 3HB GLU 78 7.017 3.579 -12.936 580 1HG GLU 78 2HG GLU 78 4.452 3.424 -12.600 581 2HG GLU 78 3HG GLU 78 4.299 3.916 -14.275 582 H LEU 79 HN LEU 79 5.844 6.606 -15.055 583 HA LEU 79 HA LEU 79 3.194 7.684 -14.402 584 1HB LEU 79 2HB LEU 79 3.640 9.530 -15.673 585 2HB LEU 79 3HB LEU 79 5.195 9.208 -14.932 586 HG LEU 79 HG LEU 79 5.538 9.817 -17.225 587 1HD1 LEU 79 1HD1 LEU 79 6.977 8.040 -16.253 588 2HD1 LEU 79 2HD1 LEU 79 5.923 6.821 -17.006 589 3HD1 LEU 79 3HD1 LEU 79 6.837 7.958 -18.025 590 1HD2 LEU 79 1HD2 LEU 79 4.120 9.350 -18.864 591 2HD2 LEU 79 2HD2 LEU 79 4.342 7.600 -18.624 592 3HD2 LEU 79 3HD2 LEU 79 3.106 8.477 -17.690 593 H HIS 80 HN HIS 80 1.511 7.542 -16.012 594 HA HIS 80 HA HIS 80 0.976 5.193 -17.035 595 1HB HIS 80 2HB HIS 80 -0.259 7.510 -17.175 596 2HB HIS 80 3HB HIS 80 0.409 7.561 -18.794 597 HD1 HIS 80 HD1 HIS 80 -2.609 7.436 -18.546 598 HD2 HIS 80 HD2 HIS 80 -0.205 4.006 -18.762 599 HE1 HIS 80 HE1 HIS 80 -4.119 5.556 -19.377 600 HA PRO 81 HA PRO 81 4.308 4.599 -19.862 601 1HB PRO 81 2HB PRO 81 4.154 1.872 -19.952 602 2HB PRO 81 3HB PRO 81 5.106 2.740 -18.763 603 1HG PRO 81 2HG PRO 81 2.513 1.365 -18.416 604 2HG PRO 81 3HG PRO 81 3.666 1.857 -17.192 605 1HD PRO 81 2HD PRO 81 1.197 3.161 -17.845 606 2HD PRO 81 3HD PRO 81 2.406 3.716 -16.705 607 H ASP 82 HN ASP 82 1.054 4.323 -20.187 608 HA ASP 82 HA ASP 82 1.091 3.054 -22.723 609 1HB ASP 82 2HB ASP 82 -0.836 3.529 -20.816 610 2HB ASP 82 3HB ASP 82 -1.215 4.802 -21.958 611 H ASP 83 HN ASP 83 1.017 6.380 -21.360 612 HA ASP 83 HA ASP 83 0.846 7.461 -24.041 613 1HB ASP 83 2HB ASP 83 0.853 8.880 -21.336 614 2HB ASP 83 3HB ASP 83 0.548 9.646 -22.882 615 H ARG 84 HN ARG 84 3.247 6.039 -22.699 616 HA ARG 84 HA ARG 84 5.081 8.279 -22.579 617 1HB ARG 84 2HB ARG 84 4.910 6.338 -20.787 618 2HB ARG 84 3HB ARG 84 5.810 5.393 -21.956 619 1HG ARG 84 2HG ARG 84 7.210 7.832 -21.865 620 2HG ARG 84 3HG ARG 84 6.740 7.569 -20.198 621 1HD ARG 84 2HD ARG 84 7.941 5.534 -20.034 622 2HD ARG 84 3HD ARG 84 7.919 5.260 -21.765 623 HE ARG 84 HE ARG 84 9.845 6.888 -20.280 624 1HH1 ARG 84 1HH1 ARG 84 11.532 7.877 -23.170 625 2HH1 ARG 84 2HH1 ARG 84 11.585 7.809 -21.440 626 1HH2 ARG 84 1HH2 ARG 84 9.694 7.036 -24.309 627 2HH2 ARG 84 2HH2 ARG 84 8.374 6.338 -23.430 628 H SER 85 HN SER 85 3.790 6.261 -24.862 629 HA SER 85 HA SER 85 6.337 5.883 -26.220 630 1HB SER 85 2HB SER 85 3.672 4.461 -26.363 631 2HB SER 85 3HB SER 85 4.746 4.405 -27.747 632 HG SER 85 HG SER 85 5.296 2.626 -26.503 633 H LYS 86 HN LYS 86 3.251 5.764 -27.947 634 HA LYS 86 HA LYS 86 4.053 8.188 -29.372 635 1HB LYS 86 2HB LYS 86 2.757 5.642 -30.125 636 2HB LYS 86 3HB LYS 86 2.039 7.066 -30.850 637 1HG LYS 86 2HG LYS 86 5.040 6.514 -30.879 638 2HG LYS 86 3HG LYS 86 3.964 6.017 -32.169 639 1HD LYS 86 2HD LYS 86 4.003 8.097 -33.072 640 2HD LYS 86 3HD LYS 86 3.446 8.805 -31.568 641 1HE LYS 86 2HE LYS 86 5.812 8.785 -30.705 642 2HE LYS 86 3HE LYS 86 6.351 8.131 -32.238 643 1HZ LYS 86 1HZ LYS 86 5.819 10.076 -33.318 644 2HZ LYS 86 2HZ LYS 86 4.799 10.603 -32.156 645 3HZ LYS 86 3HZ LYS 86 6.412 10.627 -31.901 646 H ILE 87 HN ILE 87 1.584 6.748 -27.287 647 HA ILE 87 HA ILE 87 -0.450 8.612 -27.847 648 HB ILE 87 HB ILE 87 0.132 6.629 -25.690 649 1HG1 ILE 87 2HG1 ILE 87 -2.421 6.233 -26.622 650 2HG1 ILE 87 3HG1 ILE 87 -1.625 6.879 -28.044 651 1HG2 ILE 87 1HG2 ILE 87 -0.758 8.643 -24.544 652 2HG2 ILE 87 2HG2 ILE 87 -2.197 8.563 -25.588 653 3HG2 ILE 87 3HG2 ILE 87 -1.843 7.236 -24.455 654 1HD1 ILE 87 1HD1 ILE 87 -0.783 4.804 -28.394 655 2HD1 ILE 87 2HD1 ILE 87 0.254 5.067 -26.971 656 3HD1 ILE 87 3HD1 ILE 87 -1.319 4.254 -26.788 657 H ALA 88 HN ALA 88 2.622 8.950 -26.379 658 HA ALA 88 HA ALA 88 2.087 10.737 -24.320 659 1HB ALA 88 1HB ALA 88 4.342 10.727 -24.168 660 2HB ALA 88 2HB ALA 88 4.307 9.549 -25.502 661 3HB ALA 88 3HB ALA 88 4.539 11.279 -25.849 662 HHA HEM 95 HA HEM 95 27.140 12.978 -12.846 663 HHB HEM 95 HB HEM 95 22.992 10.997 -8.485 664 HHC HEM 95 HC HEM 95 18.206 12.684 -12.348 665 HHD HEM 95 HD HEM 95 22.405 14.703 -16.638 666 1HMA HEM 95 1HMA HEM 95 25.883 11.376 -7.479 667 2HMA HEM 95 2HMA HEM 95 26.482 9.906 -8.344 668 3HMA HEM 95 3HMA HEM 95 24.751 10.022 -7.902 669 1HAA HEM 95 1HAA HEM 95 27.754 10.407 -11.291 670 2HAA HEM 95 2HAA HEM 95 28.009 10.914 -9.523 671 1HBA HEM 95 1HBA HEM 95 29.505 12.136 -9.680 672 2HBA HEM 95 2HBA HEM 95 28.742 13.111 -10.987 673 1HMB HEM 95 1HMB HEM 95 20.226 11.584 -7.071 674 2HMB HEM 95 2HMB HEM 95 21.268 10.217 -7.650 675 3HMB HEM 95 3HMB HEM 95 19.497 10.080 -7.783 676 HAB HEM 95 HAB HEM 95 17.551 12.501 -9.561 677 1HBB HEM 95 HBB HEM 95 17.630 9.422 -9.745 678 2HBB HEM 95 HBB HEM 95 16.166 10.562 -9.454 679 1HMC HEM 95 1HMC HEM 95 17.117 14.372 -14.457 680 2HMC HEM 95 2HMC HEM 95 17.307 12.580 -14.261 681 3HMC HEM 95 3HMC HEM 95 17.406 13.313 -15.891 682 HAC HEM 95 HAC HEM 95 20.630 14.714 -17.552 683 1HBC HEM 95 HBC HEM 95 17.877 15.531 -16.416 684 2HBC HEM 95 HBC HEM 95 18.576 15.869 -18.125 685 1HMD HEM 95 1HMD HEM 95 24.822 16.367 -16.703 686 2HMD HEM 95 2HMD HEM 95 24.551 14.882 -17.706 687 3HMD HEM 95 3HMD HEM 95 26.225 15.361 -17.230 688 1HAD HEM 95 1HAD HEM 95 27.918 14.689 -15.972 689 2HAD HEM 95 2HAD HEM 95 28.045 13.332 -14.819 690 1HBD HEM 95 1HBD HEM 95 28.313 14.749 -13.021 691 2HBD HEM 95 2HBD HEM 95 26.957 15.784 -13.499 Start of MODEL 14 1 H VAL 4 HN VAL 4 2.541 -0.776 -7.883 2 HA VAL 4 HA VAL 4 4.324 1.329 -6.912 3 HB VAL 4 HB VAL 4 4.778 -0.367 -8.863 4 1HG1 VAL 4 1HG1 VAL 4 3.252 1.817 -10.321 5 2HG1 VAL 4 2HG1 VAL 4 4.142 0.465 -11.063 6 3HG1 VAL 4 3HG1 VAL 4 2.689 0.144 -10.087 7 1HG2 VAL 4 1HG2 VAL 4 5.537 2.274 -9.856 8 2HG2 VAL 4 2HG2 VAL 4 5.809 2.101 -8.106 9 3HG2 VAL 4 3HG2 VAL 4 6.551 0.948 -9.240 10 H LYS 5 HN LYS 5 4.036 3.494 -8.196 11 HA LYS 5 HA LYS 5 1.157 4.073 -8.190 12 1HB LYS 5 2HB LYS 5 2.807 5.129 -6.459 13 2HB LYS 5 3HB LYS 5 3.300 6.149 -7.795 14 1HG LYS 5 2HG LYS 5 1.521 7.297 -6.600 15 2HG LYS 5 3HG LYS 5 0.883 6.792 -8.153 16 1HD LYS 5 2HD LYS 5 0.551 4.750 -6.026 17 2HD LYS 5 3HD LYS 5 -0.281 6.254 -5.680 18 1HE LYS 5 2HE LYS 5 -0.548 5.085 -8.454 19 2HE LYS 5 3HE LYS 5 -1.436 4.325 -7.148 20 1HZ LYS 5 1HZ LYS 5 -1.886 6.834 -8.394 21 2HZ LYS 5 2HZ LYS 5 -2.907 5.918 -7.510 22 3HZ LYS 5 3HZ LYS 5 -1.884 6.950 -6.765 23 H TYR 6 HN TYR 6 0.257 4.464 -10.134 24 HA TYR 6 HA TYR 6 2.075 5.088 -12.340 25 1HB TYR 6 2HB TYR 6 -0.870 4.204 -12.109 26 2HB TYR 6 3HB TYR 6 -0.034 4.400 -13.637 27 HD1 TYR 6 HD1 TYR 6 2.507 3.105 -13.344 28 HD2 TYR 6 HD2 TYR 6 -1.265 1.962 -11.682 29 HE1 TYR 6 HE1 TYR 6 3.285 0.689 -13.222 30 HE2 TYR 6 HE2 TYR 6 -0.474 -0.451 -11.566 31 HH TYR 6 HH TYR 6 2.169 -1.562 -13.226 32 H TYR 7 HN TYR 7 2.353 7.245 -12.679 33 HA TYR 7 HA TYR 7 0.071 9.001 -12.168 34 1HB TYR 7 2HB TYR 7 2.987 9.608 -12.936 35 2HB TYR 7 3HB TYR 7 1.864 10.720 -12.178 36 HD1 TYR 7 HD1 TYR 7 4.639 8.734 -11.570 37 HD2 TYR 7 HD2 TYR 7 0.851 9.718 -9.840 38 HE1 TYR 7 HE1 TYR 7 5.502 8.055 -9.278 39 HE2 TYR 7 HE2 TYR 7 1.727 9.035 -7.553 40 HH TYR 7 HH TYR 7 3.351 8.068 -6.466 41 H THR 8 HN THR 8 -0.480 10.689 -13.744 42 HA THR 8 HA THR 8 -0.335 9.630 -16.439 43 HB THR 8 HB THR 8 -1.898 11.749 -16.717 44 HG1 THR 8 HG1 THR 8 -1.921 12.839 -14.793 45 1HG2 THR 8 1HG2 THR 8 -2.722 9.326 -16.478 46 2HG2 THR 8 2HG2 THR 8 -2.787 9.607 -14.723 47 3HG2 THR 8 3HG2 THR 8 -3.824 10.556 -15.814 48 H LEU 9 HN LEU 9 0.577 10.631 -18.234 49 HA LEU 9 HA LEU 9 2.990 11.853 -17.878 50 1HB LEU 9 2HB LEU 9 3.107 11.904 -20.124 51 2HB LEU 9 3HB LEU 9 1.755 10.802 -19.948 52 HG LEU 9 HG LEU 9 1.449 13.775 -20.440 53 1HD1 LEU 9 1HD1 LEU 9 2.064 11.577 -22.287 54 2HD1 LEU 9 2HD1 LEU 9 0.643 12.544 -22.751 55 3HD1 LEU 9 3HD1 LEU 9 2.216 13.338 -22.496 56 1HD2 LEU 9 1HD2 LEU 9 -0.429 12.391 -19.337 57 2HD2 LEU 9 2HD2 LEU 9 -0.830 13.407 -20.743 58 3HD2 LEU 9 3HD2 LEU 9 -0.624 11.650 -20.945 59 H GLU 10 HN GLU 10 -0.213 13.198 -17.528 60 HA GLU 10 HA GLU 10 0.396 15.842 -18.118 61 1HB GLU 10 2HB GLU 10 -1.828 14.331 -17.069 62 2HB GLU 10 3HB GLU 10 -1.594 15.734 -16.046 63 1HG GLU 10 2HG GLU 10 -2.260 17.195 -17.680 64 2HG GLU 10 3HG GLU 10 -1.350 16.365 -18.928 65 H GLU 11 HN GLU 11 0.934 13.805 -15.253 66 HA GLU 11 HA GLU 11 1.305 15.840 -13.416 67 1HB GLU 11 2HB GLU 11 1.562 12.988 -13.515 68 2HB GLU 11 3HB GLU 11 3.059 13.608 -12.847 69 1HG GLU 11 2HG GLU 11 1.997 13.857 -10.860 70 2HG GLU 11 3HG GLU 11 1.049 15.142 -11.582 71 H ILE 12 HN ILE 12 3.987 13.761 -14.713 72 HA ILE 12 HA ILE 12 6.110 15.164 -14.056 73 HB ILE 12 HB ILE 12 6.767 14.584 -16.641 74 1HG1 ILE 12 2HG1 ILE 12 4.198 13.813 -16.681 75 2HG1 ILE 12 3HG1 ILE 12 5.454 13.026 -17.617 76 1HG2 ILE 12 1HG2 ILE 12 6.767 13.055 -14.070 77 2HG2 ILE 12 2HG2 ILE 12 7.254 12.228 -15.569 78 3HG2 ILE 12 3HG2 ILE 12 8.127 13.684 -15.032 79 1HD1 ILE 12 1HD1 ILE 12 5.002 12.080 -14.790 80 2HD1 ILE 12 2HD1 ILE 12 3.827 11.612 -16.042 81 3HD1 ILE 12 3HD1 ILE 12 5.540 11.161 -16.216 82 H GLN 13 HN GLN 13 3.848 16.071 -16.708 83 HA GLN 13 HA GLN 13 5.314 18.167 -17.696 84 1HB GLN 13 2HB GLN 13 2.402 17.422 -17.660 85 2HB GLN 13 3HB GLN 13 2.809 19.048 -18.172 86 1HG GLN 13 2HG GLN 13 4.400 16.770 -19.345 87 2HG GLN 13 3HG GLN 13 2.754 16.988 -19.905 88 1HE2 GLN 13 1HE2 GLN 13 4.364 17.276 -21.832 89 2HE2 GLN 13 2HE2 GLN 13 4.731 18.913 -22.258 90 H LYS 14 HN LYS 14 2.344 18.588 -15.640 91 HA LYS 14 HA LYS 14 2.850 21.196 -14.953 92 1HB LYS 14 2HB LYS 14 1.274 20.786 -13.081 93 2HB LYS 14 3HB LYS 14 0.692 20.197 -14.625 94 1HG LYS 14 2HG LYS 14 1.611 17.892 -13.988 95 2HG LYS 14 3HG LYS 14 1.936 18.533 -12.390 96 1HD LYS 14 2HD LYS 14 -0.226 17.433 -12.308 97 2HD LYS 14 3HD LYS 14 -0.508 19.159 -12.188 98 1HE LYS 14 2HE LYS 14 -0.479 18.462 -14.992 99 2HE LYS 14 3HE LYS 14 -1.520 17.318 -14.167 100 1HZ LYS 14 1HZ LYS 14 -1.746 20.232 -14.227 101 2HZ LYS 14 2HZ LYS 14 -2.861 19.117 -14.652 102 3HZ LYS 14 3HZ LYS 14 -2.504 19.355 -13.076 103 H HIS 15 HN HIS 15 4.329 18.214 -13.782 104 HA HIS 15 HA HIS 15 5.523 19.639 -11.553 105 1HB HIS 15 2HB HIS 15 5.730 16.726 -12.365 106 2HB HIS 15 3HB HIS 15 6.374 17.431 -10.895 107 HD1 HIS 15 HD1 HIS 15 4.159 18.962 -9.654 108 HD2 HIS 15 HD2 HIS 15 3.454 15.384 -11.729 109 HE1 HIS 15 HE1 HIS 15 1.925 18.068 -8.801 110 H LYS 16 HN LYS 16 6.288 20.806 -13.918 111 HA LYS 16 HA LYS 16 8.953 19.675 -14.403 112 1HB LYS 16 2HB LYS 16 7.430 19.756 -16.365 113 2HB LYS 16 3HB LYS 16 7.306 21.494 -16.186 114 1HG LYS 16 2HG LYS 16 10.102 20.888 -16.137 115 2HG LYS 16 3HG LYS 16 9.421 19.937 -17.442 116 1HD LYS 16 2HD LYS 16 8.987 21.780 -18.729 117 2HD LYS 16 3HD LYS 16 8.363 22.699 -17.373 118 1HE LYS 16 2HE LYS 16 10.367 23.736 -17.001 119 2HE LYS 16 3HE LYS 16 11.272 22.244 -17.157 120 1HZ LYS 16 1HZ LYS 16 11.238 24.210 -18.964 121 2HZ LYS 16 2HZ LYS 16 11.688 22.673 -19.279 122 3HZ LYS 16 3HZ LYS 16 10.169 23.165 -19.619 123 H ASP 17 HN ASP 17 8.100 21.302 -12.060 124 HA ASP 17 HA ASP 17 9.822 23.588 -12.617 125 1HB ASP 17 2HB ASP 17 7.252 23.964 -12.135 126 2HB ASP 17 3HB ASP 17 7.672 23.596 -10.473 127 H SER 18 HN SER 18 10.725 24.469 -10.348 128 HA SER 18 HA SER 18 12.229 22.493 -9.223 129 1HB SER 18 2HB SER 18 11.470 25.294 -8.408 130 2HB SER 18 3HB SER 18 12.327 24.301 -7.246 131 HG SER 18 HG SER 18 14.134 24.320 -8.470 132 H LYS 19 HN LYS 19 9.166 24.021 -8.022 133 HA LYS 19 HA LYS 19 8.915 22.891 -5.595 134 1HB LYS 19 2HB LYS 19 7.334 24.481 -6.635 135 2HB LYS 19 3HB LYS 19 6.716 23.202 -7.661 136 1HG LYS 19 2HG LYS 19 5.839 21.970 -5.782 137 2HG LYS 19 3HG LYS 19 6.750 22.925 -4.630 138 1HD LYS 19 2HD LYS 19 5.056 24.422 -4.474 139 2HD LYS 19 3HD LYS 19 5.137 24.737 -6.196 140 1HE LYS 19 2HE LYS 19 3.811 22.170 -5.383 141 2HE LYS 19 3HE LYS 19 2.952 23.644 -4.984 142 1HZ LYS 19 1HZ LYS 19 2.347 22.924 -7.149 143 2HZ LYS 19 2HZ LYS 19 3.204 24.305 -7.310 144 3HZ LYS 19 3HZ LYS 19 3.899 22.867 -7.654 145 H SER 20 HN SER 20 7.811 21.342 -8.696 146 HA SER 20 HA SER 20 8.290 18.802 -7.354 147 1HB SER 20 2HB SER 20 5.896 19.593 -9.061 148 2HB SER 20 3HB SER 20 6.296 17.922 -8.722 149 HG SER 20 HG SER 20 5.740 18.150 -6.611 150 H THR 21 HN THR 21 10.308 18.509 -8.424 151 HA THR 21 HA THR 21 10.267 18.631 -11.349 152 HB THR 21 HB THR 21 12.379 18.686 -9.166 153 HG1 THR 21 HG1 THR 21 11.803 20.123 -11.661 154 1HG2 THR 21 1HG2 THR 21 13.579 18.901 -11.769 155 2HG2 THR 21 2HG2 THR 21 13.934 17.691 -10.512 156 3HG2 THR 21 3HG2 THR 21 12.682 17.363 -11.735 157 H TRP 22 HN TRP 22 9.608 16.853 -12.379 158 HA TRP 22 HA TRP 22 10.473 14.287 -11.227 159 1HB TRP 22 2HB TRP 22 7.889 15.154 -12.447 160 2HB TRP 22 3HB TRP 22 8.424 13.505 -12.705 161 HD1 TRP 22 HD1 TRP 22 9.415 14.828 -9.307 162 HE1 TRP 22 HE1 TRP 22 7.934 13.824 -7.367 163 HE3 TRP 22 HE3 TRP 22 5.916 12.740 -12.348 164 HZ2 TRP 22 HZ2 TRP 22 5.518 12.305 -7.323 165 HZ3 TRP 22 HZ3 TRP 22 4.028 11.513 -11.276 166 HH2 TRP 22 HH2 TRP 22 3.797 11.278 -8.854 167 H VAL 23 HN VAL 23 10.891 12.588 -12.934 168 HA VAL 23 HA VAL 23 11.309 13.544 -15.611 169 HB VAL 23 HB VAL 23 13.294 14.400 -14.499 170 1HG1 VAL 23 1HG1 VAL 23 13.296 12.724 -12.629 171 2HG1 VAL 23 2HG1 VAL 23 13.970 11.534 -13.768 172 3HG1 VAL 23 3HG1 VAL 23 14.891 13.003 -13.368 173 1HG2 VAL 23 1HG2 VAL 23 14.764 12.341 -15.834 174 2HG2 VAL 23 2HG2 VAL 23 13.251 12.621 -16.730 175 3HG2 VAL 23 3HG2 VAL 23 14.360 13.976 -16.410 176 H ILE 24 HN ILE 24 10.775 11.892 -16.948 177 HA ILE 24 HA ILE 24 10.212 9.346 -15.833 178 HB ILE 24 HB ILE 24 10.248 10.361 -18.676 179 1HG1 ILE 24 2HG1 ILE 24 7.772 9.764 -17.094 180 2HG1 ILE 24 3HG1 ILE 24 8.622 11.268 -16.799 181 1HG2 ILE 24 1HG2 ILE 24 10.420 7.748 -18.045 182 2HG2 ILE 24 2HG2 ILE 24 8.656 7.967 -17.955 183 3HG2 ILE 24 3HG2 ILE 24 9.528 8.368 -19.455 184 1HD1 ILE 24 1HD1 ILE 24 8.452 10.858 -19.661 185 2HD1 ILE 24 2HD1 ILE 24 6.834 10.668 -18.942 186 3HD1 ILE 24 3HD1 ILE 24 7.753 12.169 -18.681 187 H LEU 25 HN LEU 25 11.693 7.837 -15.314 188 HA LEU 25 HA LEU 25 14.015 7.610 -17.097 189 1HB LEU 25 2HB LEU 25 13.914 8.145 -14.225 190 2HB LEU 25 3HB LEU 25 14.896 6.750 -14.625 191 HG LEU 25 HG LEU 25 16.357 8.036 -15.999 192 1HD1 LEU 25 1HD1 LEU 25 15.835 10.632 -16.083 193 2HD1 LEU 25 2HD1 LEU 25 15.174 9.501 -17.288 194 3HD1 LEU 25 3HD1 LEU 25 14.157 10.054 -15.936 195 1HD2 LEU 25 1HD2 LEU 25 15.738 9.664 -13.520 196 2HD2 LEU 25 2HD2 LEU 25 16.729 8.187 -13.572 197 3HD2 LEU 25 3HD2 LEU 25 17.267 9.651 -14.430 198 H HIS 26 HN HIS 26 14.470 5.559 -17.805 199 HA HIS 26 HA HIS 26 13.822 3.506 -18.393 200 1HB HIS 26 2HB HIS 26 14.126 2.975 -15.431 201 2HB HIS 26 3HB HIS 26 14.424 1.863 -16.752 202 HD1 HIS 26 HD1 HIS 26 16.342 3.137 -18.575 203 HD2 HIS 26 HD2 HIS 26 16.503 3.844 -14.444 204 HE1 HIS 26 HE1 HIS 26 18.714 3.934 -18.079 205 H HIS 27 HN HIS 27 11.535 5.183 -18.061 206 HA HIS 27 HA HIS 27 9.347 4.988 -18.030 207 1HB HIS 27 2HB HIS 27 9.655 2.050 -17.371 208 2HB HIS 27 3HB HIS 27 8.259 2.843 -18.072 209 HD1 HIS 27 HD1 HIS 27 9.311 4.366 -20.424 210 HD2 HIS 27 HD2 HIS 27 10.820 0.599 -19.357 211 HE1 HIS 27 HE1 HIS 27 10.386 3.404 -22.529 212 H LYS 28 HN LYS 28 10.442 6.139 -15.863 213 HA LYS 28 HA LYS 28 8.510 5.674 -13.875 214 1HB LYS 28 2HB LYS 28 9.721 4.683 -12.128 215 2HB LYS 28 3HB LYS 28 10.073 3.692 -13.529 216 1HG LYS 28 2HG LYS 28 12.002 5.848 -13.439 217 2HG LYS 28 3HG LYS 28 11.927 5.115 -11.850 218 1HD LYS 28 2HD LYS 28 12.183 3.448 -14.389 219 2HD LYS 28 3HD LYS 28 13.584 4.071 -13.541 220 1HE LYS 28 2HE LYS 28 13.483 2.209 -12.240 221 2HE LYS 28 3HE LYS 28 12.074 2.920 -11.480 222 1HZ LYS 28 1HZ LYS 28 10.750 1.500 -12.522 223 2HZ LYS 28 2HZ LYS 28 11.497 1.653 -13.966 224 3HZ LYS 28 3HZ LYS 28 12.088 0.622 -12.845 225 H VAL 29 HN VAL 29 8.230 7.566 -12.767 226 HA VAL 29 HA VAL 29 9.926 9.746 -13.502 227 HB VAL 29 HB VAL 29 8.351 11.082 -12.270 228 1HG1 VAL 29 1HG1 VAL 29 6.447 9.135 -13.455 229 2HG1 VAL 29 2HG1 VAL 29 6.664 10.873 -13.773 230 3HG1 VAL 29 3HG1 VAL 29 7.766 9.689 -14.515 231 1HG2 VAL 29 1HG2 VAL 29 6.871 8.611 -11.370 232 2HG2 VAL 29 2HG2 VAL 29 8.162 9.330 -10.379 233 3HG2 VAL 29 3HG2 VAL 29 6.718 10.286 -10.790 234 H TYR 30 HN TYR 30 11.348 10.934 -12.180 235 HA TYR 30 HA TYR 30 12.024 9.586 -9.651 236 1HB TYR 30 2HB TYR 30 13.534 10.728 -12.022 237 2HB TYR 30 3HB TYR 30 14.274 10.979 -10.453 238 HD1 TYR 30 HD1 TYR 30 12.355 7.957 -10.551 239 HD2 TYR 30 HD2 TYR 30 16.156 9.623 -11.594 240 HE1 TYR 30 HE1 TYR 30 13.360 5.624 -10.648 241 HE2 TYR 30 HE2 TYR 30 17.147 7.283 -11.689 242 HH TYR 30 HH TYR 30 15.094 4.436 -11.215 243 H ASP 31 HN ASP 31 11.152 10.825 -8.040 244 HA ASP 31 HA ASP 31 10.845 13.606 -8.378 245 1HB ASP 31 2HB ASP 31 9.362 12.159 -6.955 246 2HB ASP 31 3HB ASP 31 10.701 11.885 -5.858 247 H LEU 32 HN LEU 32 13.116 14.276 -8.805 248 HA LEU 32 HA LEU 32 14.900 13.986 -6.502 249 1HB LEU 32 2HB LEU 32 16.687 14.549 -8.043 250 2HB LEU 32 3HB LEU 32 15.784 13.143 -8.574 251 HG LEU 32 HG LEU 32 14.622 15.451 -9.805 252 1HD1 LEU 32 1HD1 LEU 32 17.429 15.317 -10.753 253 2HD1 LEU 32 2HD1 LEU 32 16.297 16.688 -10.682 254 3HD1 LEU 32 3HD1 LEU 32 17.149 16.160 -9.211 255 1HD2 LEU 32 1HD2 LEU 32 16.300 13.231 -11.006 256 2HD2 LEU 32 2HD2 LEU 32 14.564 13.120 -10.626 257 3HD2 LEU 32 3HD2 LEU 32 15.135 14.274 -11.855 258 H THR 33 HN THR 33 12.609 15.745 -6.358 259 HA THR 33 HA THR 33 13.214 18.380 -7.047 260 HB THR 33 HB THR 33 11.607 17.478 -4.614 261 HG1 THR 33 HG1 THR 33 11.331 17.155 -7.484 262 1HG2 THR 33 1HG2 THR 33 10.573 19.367 -6.696 263 2HG2 THR 33 2HG2 THR 33 10.406 19.437 -4.925 264 3HG2 THR 33 3HG2 THR 33 11.911 19.988 -5.700 265 H LYS 34 HN LYS 34 13.998 16.479 -4.086 266 HA LYS 34 HA LYS 34 15.200 18.718 -2.814 267 1HB LYS 34 2HB LYS 34 14.227 16.936 -1.503 268 2HB LYS 34 3HB LYS 34 15.272 15.743 -2.247 269 1HG LYS 34 2HG LYS 34 17.039 17.738 -1.278 270 2HG LYS 34 3HG LYS 34 15.833 17.561 -0.017 271 1HD LYS 34 2HD LYS 34 17.005 15.062 -1.252 272 2HD LYS 34 3HD LYS 34 17.979 15.965 -0.108 273 1HE LYS 34 2HE LYS 34 15.126 15.050 0.484 274 2HE LYS 34 3HE LYS 34 16.542 14.112 0.913 275 1HZ LYS 34 1HZ LYS 34 16.251 15.336 2.773 276 2HZ LYS 34 2HZ LYS 34 17.245 16.359 1.977 277 3HZ LYS 34 3HZ LYS 34 15.635 16.638 2.004 278 H TYR 35 HN TYR 35 16.340 15.959 -4.820 279 HA TYR 35 HA TYR 35 19.080 16.877 -4.560 280 1HB TYR 35 2HB TYR 35 18.383 14.439 -4.556 281 2HB TYR 35 3HB TYR 35 17.622 14.652 -6.120 282 HD1 TYR 35 HD1 TYR 35 18.862 14.389 -8.120 283 HD2 TYR 35 HD2 TYR 35 20.922 14.722 -4.386 284 HE1 TYR 35 HE1 TYR 35 21.043 13.747 -9.258 285 HE2 TYR 35 HE2 TYR 35 23.097 14.080 -5.536 286 HH TYR 35 HH TYR 35 23.663 12.693 -7.665 287 H LEU 36 HN LEU 36 16.728 18.360 -6.032 288 HA LEU 36 HA LEU 36 17.484 18.270 -8.772 289 1HB LEU 36 2HB LEU 36 15.238 18.796 -8.180 290 2HB LEU 36 3HB LEU 36 15.744 20.112 -7.140 291 HG LEU 36 HG LEU 36 14.749 20.824 -9.312 292 1HD1 LEU 36 1HD1 LEU 36 16.984 21.850 -7.956 293 2HD1 LEU 36 2HD1 LEU 36 17.366 21.986 -9.689 294 3HD1 LEU 36 3HD1 LEU 36 15.876 22.718 -9.046 295 1HD2 LEU 36 1HD2 LEU 36 17.131 19.346 -10.406 296 2HD2 LEU 36 2HD2 LEU 36 15.425 19.279 -10.910 297 3HD2 LEU 36 3HD2 LEU 36 16.410 20.711 -11.293 298 H GLU 37 HN GLU 37 18.091 20.525 -6.007 299 HA GLU 37 HA GLU 37 19.888 22.011 -7.695 300 1HB GLU 37 2HB GLU 37 20.012 23.591 -5.829 301 2HB GLU 37 3HB GLU 37 18.335 23.200 -6.153 302 1HG GLU 37 2HG GLU 37 18.521 21.402 -4.317 303 2HG GLU 37 3HG GLU 37 20.080 22.091 -3.910 304 H GLU 38 HN GLU 38 20.005 19.215 -5.800 305 HA GLU 38 HA GLU 38 22.625 19.724 -4.740 306 1HB GLU 38 2HB GLU 38 20.539 18.197 -3.849 307 2HB GLU 38 3HB GLU 38 21.477 16.966 -4.672 308 1HG GLU 38 2HG GLU 38 22.931 18.878 -2.842 309 2HG GLU 38 3HG GLU 38 21.963 17.612 -2.114 310 H HIS 39 HN HIS 39 21.117 18.372 -7.593 311 HA HIS 39 HA HIS 39 22.890 16.459 -8.374 312 1HB HIS 39 2HB HIS 39 20.715 17.264 -9.462 313 2HB HIS 39 3HB HIS 39 21.682 18.487 -10.261 314 HD1 HIS 39 HD1 HIS 39 21.701 17.672 -12.646 315 HD2 HIS 39 HD2 HIS 39 22.694 14.654 -9.906 316 HE1 HIS 39 HE1 HIS 39 22.417 15.654 -14.034 317 HA PRO 40 HA PRO 40 26.570 18.741 -8.848 318 1HB PRO 40 2HB PRO 40 28.180 16.691 -9.671 319 2HB PRO 40 3HB PRO 40 27.836 17.022 -7.985 320 1HG PRO 40 2HG PRO 40 26.770 14.868 -9.706 321 2HG PRO 40 3HG PRO 40 26.782 14.970 -7.957 322 1HD PRO 40 2HD PRO 40 24.540 15.426 -9.687 323 2HD PRO 40 3HD PRO 40 24.583 15.640 -7.949 324 H GLY 41 HN GLY 41 25.172 16.812 -11.361 325 1HA GLY 41 1HA GLY 41 26.807 17.720 -13.468 326 2HA GLY 41 2HA GLY 41 25.202 17.030 -13.599 327 H GLY 42 HN GLY 42 23.340 18.600 -12.806 328 1HA GLY 42 1HA GLY 42 23.787 21.396 -12.938 329 2HA GLY 42 2HA GLY 42 23.269 20.797 -14.501 330 H GLU 43 HN GLU 43 21.847 22.560 -12.513 331 HA GLU 43 HA GLU 43 19.744 20.857 -11.558 332 1HB GLU 43 2HB GLU 43 18.813 23.049 -10.673 333 2HB GLU 43 3HB GLU 43 20.401 22.622 -10.065 334 1HG GLU 43 2HG GLU 43 21.366 24.459 -11.006 335 2HG GLU 43 3HG GLU 43 20.609 24.160 -12.557 336 H GLU 44 HN GLU 44 20.543 22.654 -14.404 337 HA GLU 44 HA GLU 44 17.801 23.133 -15.099 338 1HB GLU 44 2HB GLU 44 19.777 24.676 -15.668 339 2HB GLU 44 3HB GLU 44 20.257 23.487 -16.862 340 1HG GLU 44 2HG GLU 44 18.780 24.387 -18.324 341 2HG GLU 44 3HG GLU 44 17.465 23.904 -17.272 342 H VAL 45 HN VAL 45 20.596 21.196 -16.387 343 HA VAL 45 HA VAL 45 19.467 19.937 -18.461 344 HB VAL 45 HB VAL 45 21.636 19.361 -18.126 345 1HG1 VAL 45 1HG1 VAL 45 22.233 18.316 -15.698 346 2HG1 VAL 45 2HG1 VAL 45 22.358 20.048 -16.089 347 3HG1 VAL 45 3HG1 VAL 45 20.918 19.427 -15.247 348 1HG2 VAL 45 1HG2 VAL 45 20.675 16.930 -16.663 349 2HG2 VAL 45 2HG2 VAL 45 19.996 17.279 -18.271 350 3HG2 VAL 45 3HG2 VAL 45 21.753 17.066 -18.074 351 H LEU 46 HN LEU 46 18.624 19.564 -15.041 352 HA LEU 46 HA LEU 46 17.064 17.193 -15.556 353 1HB LEU 46 2HB LEU 46 16.984 18.807 -13.032 354 2HB LEU 46 3HB LEU 46 16.734 17.087 -13.259 355 HG LEU 46 HG LEU 46 19.435 18.261 -13.845 356 1HD1 LEU 46 1HD1 LEU 46 18.550 17.464 -11.061 357 2HD1 LEU 46 2HD1 LEU 46 20.136 18.098 -11.563 358 3HD1 LEU 46 3HD1 LEU 46 18.699 19.147 -11.625 359 1HD2 LEU 46 1HD2 LEU 46 18.265 15.586 -13.308 360 2HD2 LEU 46 2HD2 LEU 46 19.583 16.074 -14.401 361 3HD2 LEU 46 3HD2 LEU 46 19.891 15.897 -12.656 362 H ARG 47 HN ARG 47 16.363 20.555 -14.354 363 HA ARG 47 HA ARG 47 13.647 20.309 -14.583 364 1HB ARG 47 2HB ARG 47 15.465 22.756 -14.792 365 2HB ARG 47 3HB ARG 47 13.719 22.886 -14.722 366 1HG ARG 47 2HG ARG 47 14.073 21.266 -12.579 367 2HG ARG 47 3HG ARG 47 15.651 22.030 -12.580 368 1HD ARG 47 2HD ARG 47 13.180 23.765 -12.836 369 2HD ARG 47 3HD ARG 47 13.619 23.140 -11.260 370 HE ARG 47 HE ARG 47 16.004 24.186 -12.230 371 1HH1 ARG 47 1HH1 ARG 47 15.576 27.582 -11.549 372 2HH1 ARG 47 2HH1 ARG 47 16.724 26.325 -11.871 373 1HH2 ARG 47 1HH2 ARG 47 13.308 27.093 -11.484 374 2HH2 ARG 47 2HH2 ARG 47 12.763 25.473 -11.757 375 H GLU 48 HN GLU 48 15.993 21.908 -16.869 376 HA GLU 48 HA GLU 48 14.469 22.779 -18.793 377 1HB GLU 48 2HB GLU 48 17.001 22.606 -18.784 378 2HB GLU 48 3HB GLU 48 16.849 20.962 -19.369 379 1HG GLU 48 2HG GLU 48 16.260 21.623 -21.494 380 2HG GLU 48 3HG GLU 48 15.271 22.952 -20.922 381 H GLN 49 HN GLN 49 15.200 19.279 -18.275 382 HA GLN 49 HA GLN 49 12.893 18.726 -19.961 383 1HB GLN 49 2HB GLN 49 14.061 16.742 -20.888 384 2HB GLN 49 3HB GLN 49 14.895 18.229 -21.293 385 1HG GLN 49 2HG GLN 49 16.133 17.615 -18.917 386 2HG GLN 49 3HG GLN 49 15.748 16.003 -19.487 387 1HE2 GLN 49 1HE2 GLN 49 16.370 15.432 -21.687 388 2HE2 GLN 49 2HE2 GLN 49 17.831 16.072 -22.362 389 H ALA 50 HN ALA 50 12.485 18.994 -17.305 390 HA ALA 50 HA ALA 50 13.026 16.612 -15.846 391 1HB ALA 50 1HB ALA 50 12.775 18.396 -14.420 392 2HB ALA 50 2HB ALA 50 11.564 19.192 -15.452 393 3HB ALA 50 3HB ALA 50 11.090 17.822 -14.418 394 H GLY 51 HN GLY 51 9.720 17.958 -16.147 395 1HA GLY 51 1HA GLY 51 8.332 15.642 -16.018 396 2HA GLY 51 2HA GLY 51 7.798 17.050 -16.915 397 H GLY 52 HN GLY 52 10.117 16.941 -18.835 398 1HA GLY 52 1HA GLY 52 8.935 15.413 -20.853 399 2HA GLY 52 2HA GLY 52 10.556 16.077 -20.861 400 H ASP 53 HN ASP 53 11.791 14.373 -21.625 401 HA ASP 53 HA ASP 53 11.714 11.994 -19.952 402 1HB ASP 53 2HB ASP 53 10.622 11.393 -22.045 403 2HB ASP 53 3HB ASP 53 11.873 12.174 -22.991 404 H ALA 54 HN ALA 54 13.724 12.027 -18.923 405 HA ALA 54 HA ALA 54 16.018 12.938 -20.520 406 1HB ALA 54 1HB ALA 54 16.023 12.788 -17.513 407 2HB ALA 54 2HB ALA 54 16.917 13.882 -18.595 408 3HB ALA 54 3HB ALA 54 15.177 14.133 -18.315 409 H THR 55 HN THR 55 14.561 10.196 -20.212 410 HA THR 55 HA THR 55 16.058 8.443 -18.714 411 HB THR 55 HB THR 55 14.522 8.242 -21.339 412 HG1 THR 55 HG1 THR 55 12.972 7.800 -19.805 413 1HG2 THR 55 1HG2 THR 55 16.439 6.384 -20.823 414 2HG2 THR 55 2HG2 THR 55 15.179 5.792 -19.714 415 3HG2 THR 55 3HG2 THR 55 14.839 5.932 -21.456 416 H GLU 56 HN GLU 56 16.585 9.187 -22.231 417 HA GLU 56 HA GLU 56 18.996 7.786 -22.261 418 1HB GLU 56 2HB GLU 56 17.900 9.935 -24.126 419 2HB GLU 56 3HB GLU 56 19.328 8.980 -24.473 420 1HG GLU 56 2HG GLU 56 17.934 7.446 -25.405 421 2HG GLU 56 3HG GLU 56 17.445 7.032 -23.773 422 H ASN 57 HN ASN 57 18.143 11.249 -21.772 423 HA ASN 57 HA ASN 57 20.743 12.203 -21.887 424 1HB ASN 57 2HB ASN 57 18.088 13.165 -20.906 425 2HB ASN 57 3HB ASN 57 19.460 13.930 -20.129 426 1HD2 ASN 57 1HD2 ASN 57 20.941 15.122 -21.329 427 2HD2 ASN 57 2HD2 ASN 57 20.591 15.741 -22.909 428 H PHE 58 HN PHE 58 19.123 10.174 -19.619 429 HA PHE 58 HA PHE 58 20.798 11.045 -17.393 430 1HB PHE 58 2HB PHE 58 18.335 10.692 -17.059 431 2HB PHE 58 3HB PHE 58 18.452 9.082 -17.740 432 HD1 PHE 58 HD1 PHE 58 18.622 7.285 -16.298 433 HD2 PHE 58 HD2 PHE 58 19.872 11.109 -14.944 434 HE1 PHE 58 HE1 PHE 58 19.016 6.344 -14.005 435 HE2 PHE 58 HE2 PHE 58 20.266 10.167 -12.650 436 HZ PHE 58 HZ PHE 58 19.833 7.797 -12.209 437 H GLU 59 HN GLU 59 20.065 8.232 -19.520 438 HA GLU 59 HA GLU 59 21.954 6.609 -18.128 439 1HB GLU 59 2HB GLU 59 21.300 4.863 -19.651 440 2HB GLU 59 3HB GLU 59 19.843 5.739 -19.228 441 1HG GLU 59 2HG GLU 59 19.482 5.945 -21.465 442 2HG GLU 59 3HG GLU 59 20.747 7.157 -21.449 443 H ASP 60 HN ASP 60 21.853 8.730 -20.972 444 HA ASP 60 HA ASP 60 24.030 7.728 -22.320 445 1HB ASP 60 2HB ASP 60 22.467 9.446 -23.213 446 2HB ASP 60 3HB ASP 60 23.056 10.611 -22.044 447 H VAL 61 HN VAL 61 23.706 10.172 -19.668 448 HA VAL 61 HA VAL 61 26.436 10.888 -19.632 449 HB VAL 61 HB VAL 61 25.887 12.065 -17.636 450 1HG1 VAL 61 1HG1 VAL 61 23.472 12.970 -18.416 451 2HG1 VAL 61 2HG1 VAL 61 24.986 13.387 -19.252 452 3HG1 VAL 61 3HG1 VAL 61 23.945 12.093 -19.891 453 1HG2 VAL 61 1HG2 VAL 61 23.122 11.241 -17.255 454 2HG2 VAL 61 2HG2 VAL 61 24.246 9.875 -17.051 455 3HG2 VAL 61 3HG2 VAL 61 24.451 11.351 -16.077 456 H GLY 62 HN GLY 62 24.721 8.052 -18.669 457 1HA GLY 62 1HA GLY 62 25.361 6.187 -17.594 458 2HA GLY 62 2HA GLY 62 27.018 6.693 -17.850 459 H HIS 63 HN HIS 63 24.198 6.925 -15.648 460 HA HIS 63 HA HIS 63 25.593 8.400 -13.677 461 1HB HIS 63 2HB HIS 63 22.984 6.909 -13.798 462 2HB HIS 63 3HB HIS 63 23.597 7.476 -12.257 463 HD1 HIS 63 HD1 HIS 63 22.876 8.945 -15.731 464 HD2 HIS 63 HD2 HIS 63 22.856 10.041 -11.682 465 HE1 HIS 63 HE1 HIS 63 21.954 11.323 -15.638 466 H SER 64 HN SER 64 26.655 7.696 -11.801 467 HA SER 64 HA SER 64 27.677 5.047 -12.005 468 1HB SER 64 2HB SER 64 28.177 7.410 -10.175 469 2HB SER 64 3HB SER 64 28.837 5.837 -9.774 470 HG SER 64 HG SER 64 29.244 6.711 -12.442 471 H THR 65 HN THR 65 27.856 3.748 -9.787 472 HA THR 65 HA THR 65 25.338 2.873 -9.094 473 HB THR 65 HB THR 65 28.142 2.652 -8.010 474 HG1 THR 65 HG1 THR 65 27.736 0.753 -9.080 475 1HG2 THR 65 1HG2 THR 65 26.527 2.806 -5.981 476 2HG2 THR 65 2HG2 THR 65 25.753 1.341 -6.631 477 3HG2 THR 65 3HG2 THR 65 27.459 1.298 -6.129 478 H ASP 66 HN ASP 66 27.408 5.305 -7.403 479 HA ASP 66 HA ASP 66 26.053 5.703 -5.179 480 1HB ASP 66 2HB ASP 66 27.602 7.393 -7.017 481 2HB ASP 66 3HB ASP 66 26.406 8.337 -6.154 482 H ALA 67 HN ALA 67 25.118 6.766 -8.497 483 HA ALA 67 HA ALA 67 22.888 8.303 -7.685 484 1HB ALA 67 1HB ALA 67 24.167 8.481 -9.857 485 2HB ALA 67 2HB ALA 67 23.406 6.953 -10.362 486 3HB ALA 67 3HB ALA 67 22.399 8.386 -10.049 487 H ARG 68 HN ARG 68 23.327 4.911 -8.874 488 HA ARG 68 HA ARG 68 20.817 4.131 -9.154 489 1HB ARG 68 2HB ARG 68 23.341 2.862 -8.556 490 2HB ARG 68 3HB ARG 68 22.118 2.080 -7.574 491 1HG ARG 68 2HG ARG 68 20.725 2.103 -9.864 492 2HG ARG 68 3HG ARG 68 22.317 2.242 -10.584 493 1HD ARG 68 2HD ARG 68 23.059 0.160 -9.594 494 2HD ARG 68 3HD ARG 68 21.680 0.095 -8.515 495 HE ARG 68 HE ARG 68 20.511 0.132 -11.029 496 1HH1 ARG 68 1HH1 ARG 68 20.865 -3.199 -12.008 497 2HH1 ARG 68 2HH1 ARG 68 19.991 -1.724 -12.255 498 1HH2 ARG 68 1HH2 ARG 68 22.564 -3.289 -10.430 499 2HH2 ARG 68 2HH2 ARG 68 22.959 -1.882 -9.499 500 H GLU 69 HN GLU 69 22.596 4.460 -6.020 501 HA GLU 69 HA GLU 69 20.534 3.447 -4.449 502 1HB GLU 69 2HB GLU 69 23.140 4.713 -4.067 503 2HB GLU 69 3HB GLU 69 21.997 5.295 -2.874 504 1HG GLU 69 2HG GLU 69 22.843 3.359 -1.837 505 2HG GLU 69 3HG GLU 69 21.359 2.768 -2.558 506 H LEU 70 HN LEU 70 21.516 6.847 -5.266 507 HA LEU 70 HA LEU 70 19.515 8.092 -3.789 508 1HB LEU 70 2HB LEU 70 21.301 8.836 -6.056 509 2HB LEU 70 3HB LEU 70 19.945 9.887 -5.699 510 HG LEU 70 HG LEU 70 20.788 10.528 -3.639 511 1HD1 LEU 70 1HD1 LEU 70 21.167 8.659 -2.378 512 2HD1 LEU 70 2HD1 LEU 70 22.141 7.863 -3.638 513 3HD1 LEU 70 3HD1 LEU 70 22.844 9.181 -2.669 514 1HD2 LEU 70 1HD2 LEU 70 22.739 10.352 -5.802 515 2HD2 LEU 70 2HD2 LEU 70 22.341 11.706 -4.719 516 3HD2 LEU 70 3HD2 LEU 70 23.499 10.459 -4.195 517 H SER 71 HN SER 71 19.597 7.679 -7.402 518 HA SER 71 HA SER 71 17.221 8.445 -8.094 519 1HB SER 71 2HB SER 71 17.145 6.346 -9.663 520 2HB SER 71 3HB SER 71 18.477 7.474 -9.818 521 HG SER 71 HG SER 71 18.448 4.839 -8.711 522 H LYS 72 HN LYS 72 17.788 5.076 -6.823 523 HA LYS 72 HA LYS 72 15.126 4.332 -6.746 524 1HB LYS 72 2HB LYS 72 17.269 2.931 -6.484 525 2HB LYS 72 3HB LYS 72 17.218 3.374 -4.790 526 1HG LYS 72 2HG LYS 72 14.596 2.458 -5.815 527 2HG LYS 72 3HG LYS 72 15.846 1.239 -5.960 528 1HD LYS 72 2HD LYS 72 15.190 0.791 -3.787 529 2HD LYS 72 3HD LYS 72 16.401 2.009 -3.441 530 1HE LYS 72 2HE LYS 72 14.825 3.640 -2.907 531 2HE LYS 72 3HE LYS 72 13.628 3.009 -4.020 532 1HZ LYS 72 1HZ LYS 72 14.386 1.816 -1.445 533 2HZ LYS 72 2HZ LYS 72 12.975 2.559 -1.794 534 3HZ LYS 72 3HZ LYS 72 13.343 1.134 -2.501 535 H THR 73 HN THR 73 17.196 5.760 -4.129 536 HA THR 73 HA THR 73 15.180 5.876 -2.208 537 HB THR 73 HB THR 73 17.909 6.928 -2.688 538 HG1 THR 73 HG1 THR 73 17.714 6.435 -0.257 539 1HG2 THR 73 1HG2 THR 73 16.730 9.107 -2.218 540 2HG2 THR 73 2HG2 THR 73 16.019 8.376 -0.760 541 3HG2 THR 73 3HG2 THR 73 17.779 8.611 -0.869 542 H TYR 74 HN TYR 74 15.859 7.942 -5.010 543 HA TYR 74 HA TYR 74 13.853 9.845 -4.053 544 1HB TYR 74 2HB TYR 74 16.026 9.680 -6.210 545 2HB TYR 74 3HB TYR 74 14.796 10.923 -6.321 546 HD1 TYR 74 HD1 TYR 74 17.657 9.691 -4.332 547 HD2 TYR 74 HD2 TYR 74 14.814 12.844 -4.854 548 HE1 TYR 74 HE1 TYR 74 19.009 11.177 -2.774 549 HE2 TYR 74 HE2 TYR 74 16.176 14.321 -3.295 550 HH TYR 74 HH TYR 74 18.965 14.193 -2.676 551 H ILE 75 HN ILE 75 12.892 7.238 -4.759 552 HA ILE 75 HA ILE 75 11.552 7.861 -7.300 553 HB ILE 75 HB ILE 75 13.186 5.875 -7.161 554 1HG1 ILE 75 2HG1 ILE 75 10.373 5.353 -8.161 555 2HG1 ILE 75 3HG1 ILE 75 11.524 6.388 -8.981 556 1HG2 ILE 75 1HG2 ILE 75 11.926 5.155 -4.944 557 2HG2 ILE 75 2HG2 ILE 75 10.881 4.300 -6.103 558 3HG2 ILE 75 3HG2 ILE 75 12.627 3.957 -6.060 559 1HD1 ILE 75 1HD1 ILE 75 11.654 4.174 -9.981 560 2HD1 ILE 75 2HD1 ILE 75 13.147 4.441 -9.050 561 3HD1 ILE 75 3HD1 ILE 75 11.855 3.415 -8.383 562 H ILE 76 HN ILE 76 9.302 7.701 -7.376 563 HA ILE 76 HA ILE 76 8.039 7.092 -4.794 564 HB ILE 76 HB ILE 76 6.595 8.900 -4.992 565 1HG1 ILE 76 2HG1 ILE 76 6.229 8.470 -7.505 566 2HG1 ILE 76 3HG1 ILE 76 6.048 10.104 -6.901 567 1HG2 ILE 76 1HG2 ILE 76 9.393 9.677 -5.816 568 2HG2 ILE 76 2HG2 ILE 76 8.137 10.884 -5.452 569 3HG2 ILE 76 3HG2 ILE 76 8.646 9.724 -4.201 570 1HD1 ILE 76 1HD1 ILE 76 7.380 10.345 -8.857 571 2HD1 ILE 76 2HD1 ILE 76 8.554 10.430 -7.521 572 3HD1 ILE 76 3HD1 ILE 76 8.377 8.926 -8.456 573 H GLY 77 HN GLY 77 7.898 7.064 -8.377 574 1HA GLY 77 1HA GLY 77 6.666 4.582 -8.542 575 2HA GLY 77 2HA GLY 77 5.383 5.775 -8.575 576 H GLU 78 HN GLU 78 5.232 4.640 -10.837 577 HA GLU 78 HA GLU 78 7.012 6.073 -12.651 578 1HB GLU 78 2HB GLU 78 6.590 4.254 -14.283 579 2HB GLU 78 3HB GLU 78 7.293 3.636 -12.802 580 1HG GLU 78 2HG GLU 78 5.405 2.452 -12.237 581 2HG GLU 78 3HG GLU 78 4.322 3.721 -12.774 582 H LEU 79 HN LEU 79 5.883 6.391 -14.933 583 HA LEU 79 HA LEU 79 3.231 7.492 -14.346 584 1HB LEU 79 2HB LEU 79 3.631 9.155 -15.882 585 2HB LEU 79 3HB LEU 79 5.183 8.955 -15.092 586 HG LEU 79 HG LEU 79 5.623 9.235 -17.399 587 1HD1 LEU 79 1HD1 LEU 79 6.909 7.447 -16.229 588 2HD1 LEU 79 2HD1 LEU 79 5.790 6.249 -16.922 589 3HD1 LEU 79 3HD1 LEU 79 6.810 7.238 -17.994 590 1HD2 LEU 79 1HD2 LEU 79 4.073 8.808 -18.925 591 2HD2 LEU 79 2HD2 LEU 79 4.389 7.067 -18.730 592 3HD2 LEU 79 3HD2 LEU 79 3.129 7.859 -17.752 593 H HIS 80 HN HIS 80 1.523 7.236 -15.953 594 HA HIS 80 HA HIS 80 0.996 4.730 -16.675 595 1HB HIS 80 2HB HIS 80 -0.213 7.146 -17.020 596 2HB HIS 80 3HB HIS 80 0.146 6.733 -18.684 597 HD1 HIS 80 HD1 HIS 80 -2.552 6.588 -18.888 598 HD2 HIS 80 HD2 HIS 80 -0.697 3.608 -16.591 599 HE1 HIS 80 HE1 HIS 80 -4.263 4.713 -18.634 600 HA PRO 81 HA PRO 81 4.089 3.961 -19.695 601 1HB PRO 81 2HB PRO 81 3.810 1.243 -19.755 602 2HB PRO 81 3HB PRO 81 4.847 2.075 -18.613 603 1HG PRO 81 2HG PRO 81 2.209 0.821 -18.150 604 2HG PRO 81 3HG PRO 81 3.433 1.269 -16.977 605 1HD PRO 81 2HD PRO 81 1.000 2.679 -17.543 606 2HD PRO 81 3HD PRO 81 2.277 3.186 -16.457 607 H ASP 82 HN ASP 82 0.810 3.807 -19.883 608 HA ASP 82 HA ASP 82 0.698 2.534 -22.415 609 1HB ASP 82 2HB ASP 82 -1.145 2.838 -20.529 610 2HB ASP 82 3HB ASP 82 -1.444 4.376 -21.313 611 H ASP 83 HN ASP 83 0.708 5.875 -21.057 612 HA ASP 83 HA ASP 83 0.530 6.940 -23.743 613 1HB ASP 83 2HB ASP 83 0.491 8.289 -21.003 614 2HB ASP 83 3HB ASP 83 0.369 9.158 -22.518 615 H ARG 84 HN ARG 84 2.934 5.478 -22.723 616 HA ARG 84 HA ARG 84 4.826 7.444 -21.985 617 1HB ARG 84 2HB ARG 84 6.421 5.617 -21.968 618 2HB ARG 84 3HB ARG 84 4.914 4.973 -21.347 619 1HG ARG 84 2HG ARG 84 4.497 3.695 -23.259 620 2HG ARG 84 3HG ARG 84 5.359 4.792 -24.318 621 1HD ARG 84 2HD ARG 84 6.890 3.244 -22.205 622 2HD ARG 84 3HD ARG 84 6.434 2.449 -23.698 623 HE ARG 84 HE ARG 84 8.410 4.610 -23.391 624 1HH1 ARG 84 1HH1 ARG 84 9.230 4.529 -26.783 625 2HH1 ARG 84 2HH1 ARG 84 9.676 5.131 -25.221 626 1HH2 ARG 84 1HH2 ARG 84 7.346 3.194 -27.017 627 2HH2 ARG 84 2HH2 ARG 84 6.387 2.800 -25.631 628 H SER 85 HN SER 85 3.322 6.608 -24.914 629 HA SER 85 HA SER 85 5.680 7.184 -26.492 630 1HB SER 85 2HB SER 85 2.910 6.131 -27.165 631 2HB SER 85 3HB SER 85 4.007 6.671 -28.420 632 HG SER 85 HG SER 85 4.092 4.328 -27.907 633 H LYS 86 HN LYS 86 4.464 9.268 -24.804 634 HA LYS 86 HA LYS 86 3.169 10.971 -26.798 635 1HB LYS 86 2HB LYS 86 3.245 10.969 -23.783 636 2HB LYS 86 3HB LYS 86 2.788 12.409 -24.671 637 1HG LYS 86 2HG LYS 86 1.443 9.969 -25.675 638 2HG LYS 86 3HG LYS 86 1.083 10.299 -23.992 639 1HD LYS 86 2HD LYS 86 -0.199 12.114 -24.504 640 2HD LYS 86 3HD LYS 86 0.998 12.753 -25.614 641 1HE LYS 86 2HE LYS 86 -0.661 10.343 -26.418 642 2HE LYS 86 3HE LYS 86 -1.349 11.951 -26.539 643 1HZ LYS 86 1HZ LYS 86 -0.280 12.094 -28.445 644 2HZ LYS 86 2HZ LYS 86 1.135 12.158 -27.631 645 3HZ LYS 86 3HZ LYS 86 0.576 10.728 -28.189 646 H ILE 87 HN ILE 87 6.102 10.194 -26.710 647 HA ILE 87 HA ILE 87 7.295 12.764 -26.029 648 HB ILE 87 HB ILE 87 8.351 10.008 -26.560 649 1HG1 ILE 87 2HG1 ILE 87 9.368 11.602 -24.310 650 2HG1 ILE 87 3HG1 ILE 87 7.636 11.343 -24.251 651 1HG2 ILE 87 1HG2 ILE 87 9.745 11.509 -27.893 652 2HG2 ILE 87 2HG2 ILE 87 10.003 12.548 -26.472 653 3HG2 ILE 87 3HG2 ILE 87 10.634 10.883 -26.485 654 1HD1 ILE 87 1HD1 ILE 87 7.878 9.137 -23.753 655 2HD1 ILE 87 2HD1 ILE 87 9.084 8.901 -25.041 656 3HD1 ILE 87 3HD1 ILE 87 9.590 9.514 -23.448 657 H ALA 88 HN ALA 88 6.843 10.480 -28.792 658 HA ALA 88 HA ALA 88 8.232 11.716 -30.738 659 1HB ALA 88 1HB ALA 88 6.879 10.536 -32.228 660 2HB ALA 88 2HB ALA 88 6.604 9.647 -30.711 661 3HB ALA 88 3HB ALA 88 5.401 10.828 -31.280 662 HHA HEM 95 HA HEM 95 27.041 13.009 -13.079 663 HHB HEM 95 HB HEM 95 22.996 11.068 -8.607 664 HHC HEM 95 HC HEM 95 18.122 12.617 -12.417 665 HHD HEM 95 HD HEM 95 22.219 14.600 -16.821 666 1HMA HEM 95 1HMA HEM 95 25.898 11.504 -7.659 667 2HMA HEM 95 2HMA HEM 95 26.500 10.023 -8.505 668 3HMA HEM 95 3HMA HEM 95 24.776 10.127 -8.035 669 1HAA HEM 95 1HAA HEM 95 27.638 10.276 -11.145 670 2HAA HEM 95 2HAA HEM 95 28.152 11.394 -9.755 671 1HBA HEM 95 1HBA HEM 95 29.682 12.180 -10.641 672 2HBA HEM 95 2HBA HEM 95 28.564 13.051 -11.751 673 1HMB HEM 95 1HMB HEM 95 20.247 11.650 -7.154 674 2HMB HEM 95 2HMB HEM 95 21.297 10.284 -7.725 675 3HMB HEM 95 3HMB HEM 95 19.525 10.123 -7.823 676 HAB HEM 95 HAB HEM 95 17.525 12.478 -9.586 677 1HBB HEM 95 HBB HEM 95 17.622 9.401 -9.788 678 2HBB HEM 95 HBB HEM 95 16.156 10.530 -9.461 679 1HMC HEM 95 1HMC HEM 95 16.975 14.248 -14.539 680 2HMC HEM 95 2HMC HEM 95 17.191 12.462 -14.310 681 3HMC HEM 95 3HMC HEM 95 17.252 13.163 -15.957 682 HAC HEM 95 HAC HEM 95 20.435 14.586 -17.697 683 1HBC HEM 95 HBC HEM 95 17.673 15.350 -16.542 684 2HBC HEM 95 HBC HEM 95 18.345 15.678 -18.265 685 1HMD HEM 95 1HMD HEM 95 24.614 16.291 -16.961 686 2HMD HEM 95 2HMD HEM 95 24.344 14.782 -17.930 687 3HMD HEM 95 3HMD HEM 95 26.019 15.291 -17.493 688 1HAD HEM 95 1HAD HEM 95 27.979 13.653 -14.599 689 2HAD HEM 95 2HAD HEM 95 27.512 15.336 -14.962 690 1HBD HEM 95 1HBD HEM 95 28.003 15.111 -17.210 691 2HBD HEM 95 2HBD HEM 95 27.201 13.536 -17.343 Start of MODEL 15 1 H VAL 4 HN VAL 4 2.169 -0.699 -8.209 2 HA VAL 4 HA VAL 4 3.870 1.445 -7.222 3 HB VAL 4 HB VAL 4 4.316 -0.296 -9.146 4 1HG1 VAL 4 1HG1 VAL 4 2.997 1.946 -10.709 5 2HG1 VAL 4 2HG1 VAL 4 3.735 0.458 -11.352 6 3HG1 VAL 4 3HG1 VAL 4 2.238 0.367 -10.392 7 1HG2 VAL 4 1HG2 VAL 4 5.176 2.350 -10.090 8 2HG2 VAL 4 2HG2 VAL 4 5.450 2.091 -8.351 9 3HG2 VAL 4 3HG2 VAL 4 6.139 0.958 -9.539 10 H LYS 5 HN LYS 5 3.660 3.600 -8.527 11 HA LYS 5 HA LYS 5 0.791 4.223 -8.660 12 1HB LYS 5 2HB LYS 5 3.108 5.622 -7.425 13 2HB LYS 5 3HB LYS 5 1.931 6.633 -8.238 14 1HG LYS 5 2HG LYS 5 0.749 4.508 -6.513 15 2HG LYS 5 3HG LYS 5 1.683 5.710 -5.644 16 1HD LYS 5 2HD LYS 5 -0.574 6.544 -5.726 17 2HD LYS 5 3HD LYS 5 0.348 7.516 -6.856 18 1HE LYS 5 2HE LYS 5 -0.421 5.831 -8.685 19 2HE LYS 5 3HE LYS 5 -1.564 5.232 -7.499 20 1HZ LYS 5 1HZ LYS 5 -2.270 7.101 -9.045 21 2HZ LYS 5 2HZ LYS 5 -2.663 7.234 -7.465 22 3HZ LYS 5 3HZ LYS 5 -1.411 8.091 -8.071 23 H TYR 6 HN TYR 6 0.014 4.734 -10.632 24 HA TYR 6 HA TYR 6 1.986 5.334 -12.712 25 1HB TYR 6 2HB TYR 6 -0.989 4.523 -12.660 26 2HB TYR 6 3HB TYR 6 -0.086 4.766 -14.142 27 HD1 TYR 6 HD1 TYR 6 2.443 3.418 -13.719 28 HD2 TYR 6 HD2 TYR 6 -1.469 2.264 -12.428 29 HE1 TYR 6 HE1 TYR 6 3.170 0.982 -13.669 30 HE2 TYR 6 HE2 TYR 6 -0.730 -0.168 -12.383 31 HH TYR 6 HH TYR 6 2.569 -1.067 -13.356 32 H TYR 7 HN TYR 7 2.380 7.527 -12.734 33 HA TYR 7 HA TYR 7 0.130 9.333 -12.383 34 1HB TYR 7 2HB TYR 7 3.071 9.914 -13.043 35 2HB TYR 7 3HB TYR 7 1.959 10.968 -12.195 36 HD1 TYR 7 HD1 TYR 7 4.718 8.932 -11.750 37 HD2 TYR 7 HD2 TYR 7 0.917 9.750 -9.964 38 HE1 TYR 7 HE1 TYR 7 5.564 8.043 -9.523 39 HE2 TYR 7 HE2 TYR 7 1.777 8.859 -7.743 40 HH TYR 7 HH TYR 7 4.533 7.023 -7.484 41 H THR 8 HN THR 8 -0.524 10.889 -13.947 42 HA THR 8 HA THR 8 -0.244 9.969 -16.648 43 HB THR 8 HB THR 8 -1.704 12.148 -16.938 44 HG1 THR 8 HG1 THR 8 -2.587 12.598 -14.670 45 1HG2 THR 8 1HG2 THR 8 -2.638 9.759 -16.695 46 2HG2 THR 8 2HG2 THR 8 -2.742 10.073 -14.946 47 3HG2 THR 8 3HG2 THR 8 -3.699 11.050 -16.083 48 H LEU 9 HN LEU 9 0.637 11.092 -18.439 49 HA LEU 9 HA LEU 9 3.144 12.146 -17.992 50 1HB LEU 9 2HB LEU 9 3.310 12.168 -20.221 51 2HB LEU 9 3HB LEU 9 1.838 11.223 -20.119 52 HG LEU 9 HG LEU 9 1.842 14.226 -20.498 53 1HD1 LEU 9 1HD1 LEU 9 2.579 12.171 -22.385 54 2HD1 LEU 9 2HD1 LEU 9 1.090 12.992 -22.908 55 3HD1 LEU 9 3HD1 LEU 9 2.560 13.939 -22.578 56 1HD2 LEU 9 1HD2 LEU 9 -0.229 12.156 -20.232 57 2HD2 LEU 9 2HD2 LEU 9 -0.315 13.916 -19.979 58 3HD2 LEU 9 3HD2 LEU 9 -0.450 13.245 -21.622 59 H GLU 10 HN GLU 10 0.049 13.576 -17.478 60 HA GLU 10 HA GLU 10 0.787 16.231 -18.042 61 1HB GLU 10 2HB GLU 10 -1.550 14.791 -17.086 62 2HB GLU 10 3HB GLU 10 -1.292 16.209 -16.088 63 1HG GLU 10 2HG GLU 10 -2.014 17.585 -17.743 64 2HG GLU 10 3HG GLU 10 -0.854 16.917 -18.874 65 H GLU 11 HN GLU 11 0.772 14.159 -15.092 66 HA GLU 11 HA GLU 11 1.228 16.020 -13.198 67 1HB GLU 11 2HB GLU 11 1.355 13.219 -13.394 68 2HB GLU 11 3HB GLU 11 2.950 13.666 -12.822 69 1HG GLU 11 2HG GLU 11 2.063 13.868 -10.744 70 2HG GLU 11 3HG GLU 11 1.217 15.295 -11.310 71 H ILE 12 HN ILE 12 3.915 14.087 -14.720 72 HA ILE 12 HA ILE 12 6.050 15.353 -13.809 73 HB ILE 12 HB ILE 12 6.716 15.114 -16.463 74 1HG1 ILE 12 2HG1 ILE 12 4.167 14.322 -16.590 75 2HG1 ILE 12 3HG1 ILE 12 5.429 13.628 -17.589 76 1HG2 ILE 12 1HG2 ILE 12 6.799 13.355 -14.058 77 2HG2 ILE 12 2HG2 ILE 12 7.203 12.635 -15.634 78 3HG2 ILE 12 3HG2 ILE 12 8.122 14.036 -15.034 79 1HD1 ILE 12 1HD1 ILE 12 5.030 12.405 -14.874 80 2HD1 ILE 12 2HD1 ILE 12 3.780 12.100 -16.104 81 3HD1 ILE 12 3HD1 ILE 12 5.468 11.630 -16.415 82 H GLN 13 HN GLN 13 4.148 16.537 -16.670 83 HA GLN 13 HA GLN 13 5.589 18.764 -17.170 84 1HB GLN 13 2HB GLN 13 2.601 18.241 -17.379 85 2HB GLN 13 3HB GLN 13 3.316 19.730 -17.963 86 1HG GLN 13 2HG GLN 13 4.486 17.065 -18.820 87 2HG GLN 13 3HG GLN 13 3.041 17.671 -19.606 88 1HE2 GLN 13 1HE2 GLN 13 6.438 17.978 -19.184 89 2HE2 GLN 13 2HE2 GLN 13 6.744 19.233 -20.340 90 H LYS 14 HN LYS 14 2.913 18.348 -14.769 91 HA LYS 14 HA LYS 14 2.836 21.011 -13.945 92 1HB LYS 14 2HB LYS 14 2.138 18.507 -12.383 93 2HB LYS 14 3HB LYS 14 1.629 20.138 -11.996 94 1HG LYS 14 2HG LYS 14 0.930 18.588 -14.533 95 2HG LYS 14 3HG LYS 14 -0.162 18.955 -13.213 96 1HD LYS 14 2HD LYS 14 0.345 21.453 -13.674 97 2HD LYS 14 3HD LYS 14 1.122 20.924 -15.152 98 1HE LYS 14 2HE LYS 14 -1.222 19.570 -15.416 99 2HE LYS 14 3HE LYS 14 -1.792 20.894 -14.420 100 1HZ LYS 14 1HZ LYS 14 -1.966 21.796 -16.466 101 2HZ LYS 14 2HZ LYS 14 -0.434 22.265 -16.147 102 3HZ LYS 14 3HZ LYS 14 -0.709 20.970 -17.104 103 H HIS 15 HN HIS 15 5.017 18.313 -13.185 104 HA HIS 15 HA HIS 15 6.224 19.885 -11.061 105 1HB HIS 15 2HB HIS 15 7.247 17.198 -11.883 106 2HB HIS 15 3HB HIS 15 7.186 17.936 -10.295 107 HD1 HIS 15 HD1 HIS 15 4.312 18.472 -9.744 108 HD2 HIS 15 HD2 HIS 15 5.547 15.074 -11.871 109 HE1 HIS 15 HE1 HIS 15 2.423 16.769 -9.533 110 H LYS 16 HN LYS 16 6.633 21.427 -13.099 111 HA LYS 16 HA LYS 16 9.206 20.628 -14.267 112 1HB LYS 16 2HB LYS 16 7.132 21.107 -15.748 113 2HB LYS 16 3HB LYS 16 7.408 22.791 -15.355 114 1HG LYS 16 2HG LYS 16 9.817 22.508 -16.141 115 2HG LYS 16 3HG LYS 16 9.401 20.892 -16.675 116 1HD LYS 16 2HD LYS 16 8.127 21.651 -18.462 117 2HD LYS 16 3HD LYS 16 7.584 23.084 -17.612 118 1HE LYS 16 2HE LYS 16 10.404 23.392 -17.893 119 2HE LYS 16 3HE LYS 16 9.847 22.776 -19.436 120 1HZ LYS 16 1HZ LYS 16 9.759 25.240 -19.100 121 2HZ LYS 16 2HZ LYS 16 8.387 24.554 -19.663 122 3HZ LYS 16 3HZ LYS 16 8.494 25.001 -18.095 123 H ASP 17 HN ASP 17 8.622 21.742 -11.517 124 HA ASP 17 HA ASP 17 10.344 24.063 -11.832 125 1HB ASP 17 2HB ASP 17 7.669 23.883 -10.559 126 2HB ASP 17 3HB ASP 17 8.882 24.595 -9.514 127 H SER 18 HN SER 18 11.356 24.601 -9.523 128 HA SER 18 HA SER 18 12.700 22.380 -8.652 129 1HB SER 18 2HB SER 18 13.174 24.940 -8.340 130 2HB SER 18 3HB SER 18 12.219 24.794 -6.878 131 HG SER 18 HG SER 18 14.825 24.082 -7.298 132 H LYS 19 HN LYS 19 9.843 24.095 -7.221 133 HA LYS 19 HA LYS 19 9.557 22.760 -4.891 134 1HB LYS 19 2HB LYS 19 7.735 24.100 -6.799 135 2HB LYS 19 3HB LYS 19 6.958 22.990 -5.688 136 1HG LYS 19 2HG LYS 19 7.430 24.285 -3.838 137 2HG LYS 19 3HG LYS 19 9.004 24.765 -4.438 138 1HD LYS 19 2HD LYS 19 8.182 26.716 -5.261 139 2HD LYS 19 3HD LYS 19 6.927 25.880 -6.153 140 1HE LYS 19 2HE LYS 19 5.995 25.663 -3.543 141 2HE LYS 19 3HE LYS 19 6.785 27.228 -3.506 142 1HZ LYS 19 1HZ LYS 19 4.766 27.789 -4.307 143 2HZ LYS 19 2HZ LYS 19 5.499 27.497 -5.737 144 3HZ LYS 19 3HZ LYS 19 4.511 26.374 -5.082 145 H SER 20 HN SER 20 8.602 21.630 -8.182 146 HA SER 20 HA SER 20 8.600 18.954 -7.068 147 1HB SER 20 2HB SER 20 6.556 18.422 -8.484 148 2HB SER 20 3HB SER 20 6.251 19.456 -7.102 149 HG SER 20 HG SER 20 6.924 20.870 -9.430 150 H THR 21 HN THR 21 10.471 18.281 -8.136 151 HA THR 21 HA THR 21 10.522 18.699 -11.051 152 HB THR 21 HB THR 21 12.669 18.495 -8.897 153 HG1 THR 21 HG1 THR 21 11.791 20.585 -9.530 154 1HG2 THR 21 1HG2 THR 21 13.522 18.855 -11.724 155 2HG2 THR 21 2HG2 THR 21 14.301 17.926 -10.421 156 3HG2 THR 21 3HG2 THR 21 12.960 17.208 -11.347 157 H TRP 22 HN TRP 22 9.840 16.998 -12.182 158 HA TRP 22 HA TRP 22 10.541 14.350 -11.107 159 1HB TRP 22 2HB TRP 22 8.008 15.410 -12.258 160 2HB TRP 22 3HB TRP 22 8.459 13.767 -12.669 161 HD1 TRP 22 HD1 TRP 22 9.447 14.867 -9.160 162 HE1 TRP 22 HE1 TRP 22 7.961 13.713 -7.309 163 HE3 TRP 22 HE3 TRP 22 6.039 12.898 -12.380 164 HZ2 TRP 22 HZ2 TRP 22 5.581 12.141 -7.398 165 HZ3 TRP 22 HZ3 TRP 22 4.165 11.567 -11.415 166 HH2 TRP 22 HH2 TRP 22 3.905 11.175 -9.017 167 H VAL 23 HN VAL 23 10.965 12.708 -12.835 168 HA VAL 23 HA VAL 23 11.412 13.717 -15.491 169 HB VAL 23 HB VAL 23 13.414 14.477 -14.303 170 1HG1 VAL 23 1HG1 VAL 23 13.385 12.694 -12.545 171 2HG1 VAL 23 2HG1 VAL 23 14.000 11.548 -13.760 172 3HG1 VAL 23 3HG1 VAL 23 14.982 12.956 -13.287 173 1HG2 VAL 23 1HG2 VAL 23 14.833 12.482 -15.777 174 2HG2 VAL 23 2HG2 VAL 23 13.321 12.842 -16.644 175 3HG2 VAL 23 3HG2 VAL 23 14.454 14.156 -16.248 176 H ILE 24 HN ILE 24 10.709 12.131 -16.816 177 HA ILE 24 HA ILE 24 10.151 9.559 -15.771 178 HB ILE 24 HB ILE 24 10.088 10.689 -18.569 179 1HG1 ILE 24 2HG1 ILE 24 7.678 10.024 -16.909 180 2HG1 ILE 24 3HG1 ILE 24 8.542 11.515 -16.596 181 1HG2 ILE 24 1HG2 ILE 24 10.370 8.135 -18.329 182 2HG2 ILE 24 2HG2 ILE 24 8.701 8.159 -17.710 183 3HG2 ILE 24 3HG2 ILE 24 9.050 8.757 -19.349 184 1HD1 ILE 24 1HD1 ILE 24 8.264 11.248 -19.454 185 2HD1 ILE 24 2HD1 ILE 24 6.675 10.966 -18.702 186 3HD1 ILE 24 3HD1 ILE 24 7.554 12.481 -18.384 187 H LEU 25 HN LEU 25 11.771 8.199 -15.191 188 HA LEU 25 HA LEU 25 13.989 7.947 -17.104 189 1HB LEU 25 2HB LEU 25 13.939 8.385 -14.240 190 2HB LEU 25 3HB LEU 25 14.802 6.912 -14.637 191 HG LEU 25 HG LEU 25 16.411 8.054 -15.933 192 1HD1 LEU 25 1HD1 LEU 25 15.995 10.720 -16.062 193 2HD1 LEU 25 2HD1 LEU 25 15.528 9.575 -17.342 194 3HD1 LEU 25 3HD1 LEU 25 14.318 10.132 -16.162 195 1HD2 LEU 25 1HD2 LEU 25 15.759 9.742 -13.503 196 2HD2 LEU 25 2HD2 LEU 25 16.786 8.289 -13.557 197 3HD2 LEU 25 3HD2 LEU 25 17.299 9.774 -14.395 198 H HIS 26 HN HIS 26 14.028 6.065 -18.200 199 HA HIS 26 HA HIS 26 13.285 4.076 -18.861 200 1HB HIS 26 2HB HIS 26 13.804 2.393 -16.746 201 2HB HIS 26 3HB HIS 26 14.960 2.923 -17.953 202 HD1 HIS 26 HD1 HIS 26 16.171 5.383 -17.232 203 HD2 HIS 26 HD2 HIS 26 14.628 2.925 -14.203 204 HE1 HIS 26 HE1 HIS 26 17.304 6.119 -15.068 205 H HIS 27 HN HIS 27 11.012 5.255 -18.580 206 HA HIS 27 HA HIS 27 8.895 5.156 -17.985 207 1HB HIS 27 2HB HIS 27 7.969 2.799 -17.722 208 2HB HIS 27 3HB HIS 27 8.787 3.180 -19.224 209 HD1 HIS 27 HD1 HIS 27 9.216 1.184 -16.037 210 HD2 HIS 27 HD2 HIS 27 11.127 1.718 -19.733 211 HE1 HIS 27 HE1 HIS 27 10.969 -0.662 -16.210 212 H LYS 28 HN LYS 28 10.374 6.130 -15.914 213 HA LYS 28 HA LYS 28 8.749 5.462 -13.697 214 1HB LYS 28 2HB LYS 28 11.279 4.028 -13.980 215 2HB LYS 28 3HB LYS 28 11.212 4.953 -12.494 216 1HG LYS 28 2HG LYS 28 8.897 3.939 -12.074 217 2HG LYS 28 3HG LYS 28 9.173 2.894 -13.454 218 1HD LYS 28 2HD LYS 28 10.638 1.552 -12.310 219 2HD LYS 28 3HD LYS 28 11.435 2.908 -11.539 220 1HE LYS 28 2HE LYS 28 8.801 1.617 -10.695 221 2HE LYS 28 3HE LYS 28 10.318 1.579 -9.817 222 1HZ LYS 28 1HZ LYS 28 8.491 3.813 -10.187 223 2HZ LYS 28 2HZ LYS 28 9.203 3.277 -8.818 224 3HZ LYS 28 3HZ LYS 28 10.072 4.121 -9.914 225 H VAL 29 HN VAL 29 8.284 7.536 -13.178 226 HA VAL 29 HA VAL 29 10.054 9.658 -13.684 227 HB VAL 29 HB VAL 29 8.415 11.015 -12.643 228 1HG1 VAL 29 1HG1 VAL 29 6.557 8.915 -13.643 229 2HG1 VAL 29 2HG1 VAL 29 6.705 10.631 -14.093 230 3HG1 VAL 29 3HG1 VAL 29 7.849 9.435 -14.752 231 1HG2 VAL 29 1HG2 VAL 29 6.887 8.677 -11.535 232 2HG2 VAL 29 2HG2 VAL 29 8.262 9.343 -10.621 233 3HG2 VAL 29 3HG2 VAL 29 6.878 10.384 -11.032 234 H TYR 30 HN TYR 30 11.409 10.861 -12.306 235 HA TYR 30 HA TYR 30 11.979 9.525 -9.745 236 1HB TYR 30 2HB TYR 30 13.588 10.727 -12.028 237 2HB TYR 30 3HB TYR 30 14.255 10.916 -10.419 238 HD1 TYR 30 HD1 TYR 30 12.350 7.910 -10.646 239 HD2 TYR 30 HD2 TYR 30 16.168 9.592 -11.595 240 HE1 TYR 30 HE1 TYR 30 13.351 5.578 -10.785 241 HE2 TYR 30 HE2 TYR 30 17.155 7.254 -11.732 242 HH TYR 30 HH TYR 30 15.231 4.492 -11.888 243 H ASP 31 HN ASP 31 11.186 10.736 -8.093 244 HA ASP 31 HA ASP 31 10.753 13.506 -8.456 245 1HB ASP 31 2HB ASP 31 9.267 12.155 -7.034 246 2HB ASP 31 3HB ASP 31 10.609 11.682 -6.012 247 H LEU 32 HN LEU 32 13.061 14.134 -8.934 248 HA LEU 32 HA LEU 32 14.840 13.951 -6.624 249 1HB LEU 32 2HB LEU 32 16.611 14.487 -8.146 250 2HB LEU 32 3HB LEU 32 15.677 13.134 -8.757 251 HG LEU 32 HG LEU 32 14.568 15.509 -9.885 252 1HD1 LEU 32 1HD1 LEU 32 17.389 15.441 -10.788 253 2HD1 LEU 32 2HD1 LEU 32 16.255 16.804 -10.638 254 3HD1 LEU 32 3HD1 LEU 32 17.088 16.176 -9.195 255 1HD2 LEU 32 1HD2 LEU 32 16.180 13.216 -11.029 256 2HD2 LEU 32 2HD2 LEU 32 14.409 13.379 -10.955 257 3HD2 LEU 32 3HD2 LEU 32 15.358 14.451 -12.012 258 H THR 33 HN THR 33 12.687 15.585 -6.116 259 HA THR 33 HA THR 33 13.129 18.267 -6.928 260 HB THR 33 HB THR 33 11.562 17.052 -4.591 261 HG1 THR 33 HG1 THR 33 11.098 16.352 -6.870 262 1HG2 THR 33 1HG2 THR 33 10.571 19.468 -6.008 263 2HG2 THR 33 2HG2 THR 33 10.599 19.117 -4.264 264 3HG2 THR 33 3HG2 THR 33 12.053 19.756 -5.066 265 H LYS 34 HN LYS 34 13.913 16.438 -3.905 266 HA LYS 34 HA LYS 34 15.184 18.688 -2.740 267 1HB LYS 34 2HB LYS 34 15.709 15.848 -1.904 268 2HB LYS 34 3HB LYS 34 15.601 17.294 -0.921 269 1HG LYS 34 2HG LYS 34 13.439 16.748 -0.501 270 2HG LYS 34 3HG LYS 34 13.080 17.155 -2.168 271 1HD LYS 34 2HD LYS 34 14.212 14.551 -2.276 272 2HD LYS 34 3HD LYS 34 13.146 14.525 -0.884 273 1HE LYS 34 2HE LYS 34 11.525 15.824 -2.664 274 2HE LYS 34 3HE LYS 34 12.475 14.871 -3.785 275 1HZ LYS 34 1HZ LYS 34 11.949 12.993 -2.126 276 2HZ LYS 34 2HZ LYS 34 10.710 13.952 -1.667 277 3HZ LYS 34 3HZ LYS 34 10.818 13.443 -3.215 278 H TYR 35 HN TYR 35 16.200 15.947 -4.795 279 HA TYR 35 HA TYR 35 18.987 16.700 -4.504 280 1HB TYR 35 2HB TYR 35 18.098 14.306 -4.611 281 2HB TYR 35 3HB TYR 35 17.442 14.641 -6.201 282 HD1 TYR 35 HD1 TYR 35 18.797 14.485 -8.156 283 HD2 TYR 35 HD2 TYR 35 20.612 14.313 -4.285 284 HE1 TYR 35 HE1 TYR 35 20.992 13.751 -9.209 285 HE2 TYR 35 HE2 TYR 35 22.800 13.580 -5.351 286 HH TYR 35 HH TYR 35 23.664 14.046 -8.192 287 H LEU 36 HN LEU 36 16.752 18.407 -5.874 288 HA LEU 36 HA LEU 36 17.541 18.392 -8.626 289 1HB LEU 36 2HB LEU 36 15.291 18.917 -8.121 290 2HB LEU 36 3HB LEU 36 15.749 20.132 -6.944 291 HG LEU 36 HG LEU 36 14.864 21.037 -9.095 292 1HD1 LEU 36 1HD1 LEU 36 16.982 21.948 -7.518 293 2HD1 LEU 36 2HD1 LEU 36 17.518 22.200 -9.196 294 3HD1 LEU 36 3HD1 LEU 36 15.981 22.902 -8.638 295 1HD2 LEU 36 1HD2 LEU 36 17.274 19.615 -10.181 296 2HD2 LEU 36 2HD2 LEU 36 15.611 19.686 -10.811 297 3HD2 LEU 36 3HD2 LEU 36 16.681 21.099 -10.966 298 H GLU 37 HN GLU 37 18.116 20.472 -5.725 299 HA GLU 37 HA GLU 37 19.953 22.043 -7.287 300 1HB GLU 37 2HB GLU 37 20.060 23.502 -5.324 301 2HB GLU 37 3HB GLU 37 18.385 23.150 -5.701 302 1HG GLU 37 2HG GLU 37 18.725 21.136 -3.989 303 2HG GLU 37 3HG GLU 37 20.074 22.099 -3.419 304 H GLU 38 HN GLU 38 20.018 19.127 -5.594 305 HA GLU 38 HA GLU 38 22.627 19.544 -4.461 306 1HB GLU 38 2HB GLU 38 20.827 18.188 -3.310 307 2HB GLU 38 3HB GLU 38 20.957 16.996 -4.587 308 1HG GLU 38 2HG GLU 38 22.520 16.033 -3.217 309 2HG GLU 38 3HG GLU 38 23.601 17.232 -3.900 310 H HIS 39 HN HIS 39 21.110 18.294 -7.376 311 HA HIS 39 HA HIS 39 22.915 16.445 -8.234 312 1HB HIS 39 2HB HIS 39 20.715 17.248 -9.277 313 2HB HIS 39 3HB HIS 39 21.657 18.509 -10.046 314 HD1 HIS 39 HD1 HIS 39 21.740 17.790 -12.452 315 HD2 HIS 39 HD2 HIS 39 22.660 14.659 -9.817 316 HE1 HIS 39 HE1 HIS 39 22.458 15.820 -13.906 317 HA PRO 40 HA PRO 40 26.534 18.850 -8.616 318 1HB PRO 40 2HB PRO 40 28.222 16.843 -9.381 319 2HB PRO 40 3HB PRO 40 27.836 17.185 -7.707 320 1HG PRO 40 2HG PRO 40 26.872 14.975 -9.418 321 2HG PRO 40 3HG PRO 40 26.848 15.101 -7.670 322 1HD PRO 40 2HD PRO 40 24.626 15.463 -9.447 323 2HD PRO 40 3HD PRO 40 24.630 15.701 -7.711 324 H GLY 41 HN GLY 41 25.299 16.803 -11.134 325 1HA GLY 41 1HA GLY 41 26.924 17.728 -13.221 326 2HA GLY 41 2HA GLY 41 25.329 17.018 -13.369 327 H GLY 42 HN GLY 42 23.461 18.615 -12.527 328 1HA GLY 42 1HA GLY 42 23.903 21.404 -12.775 329 2HA GLY 42 2HA GLY 42 23.335 20.749 -14.298 330 H GLU 43 HN GLU 43 21.970 22.589 -12.354 331 HA GLU 43 HA GLU 43 19.877 20.901 -11.317 332 1HB GLU 43 2HB GLU 43 19.071 22.937 -10.204 333 2HB GLU 43 3HB GLU 43 20.788 22.734 -9.911 334 1HG GLU 43 2HG GLU 43 20.888 24.233 -12.200 335 2HG GLU 43 3HG GLU 43 19.370 24.809 -11.540 336 H GLU 44 HN GLU 44 20.636 22.794 -14.127 337 HA GLU 44 HA GLU 44 17.883 23.307 -14.746 338 1HB GLU 44 2HB GLU 44 19.764 24.903 -15.314 339 2HB GLU 44 3HB GLU 44 20.363 23.731 -16.470 340 1HG GLU 44 2HG GLU 44 17.639 23.936 -17.120 341 2HG GLU 44 3HG GLU 44 18.071 25.579 -16.693 342 H VAL 45 HN VAL 45 20.635 21.385 -16.144 343 HA VAL 45 HA VAL 45 19.464 20.209 -18.241 344 HB VAL 45 HB VAL 45 21.619 19.574 -17.971 345 1HG1 VAL 45 1HG1 VAL 45 22.199 18.475 -15.531 346 2HG1 VAL 45 2HG1 VAL 45 22.454 20.182 -15.967 347 3HG1 VAL 45 3HG1 VAL 45 20.982 19.699 -15.092 348 1HG2 VAL 45 1HG2 VAL 45 20.671 17.143 -16.506 349 2HG2 VAL 45 2HG2 VAL 45 19.938 17.518 -18.085 350 3HG2 VAL 45 3HG2 VAL 45 21.698 17.281 -17.953 351 H LEU 46 HN LEU 46 18.662 19.729 -14.824 352 HA LEU 46 HA LEU 46 17.072 17.393 -15.387 353 1HB LEU 46 2HB LEU 46 17.027 18.959 -12.829 354 2HB LEU 46 3HB LEU 46 16.743 17.248 -13.088 355 HG LEU 46 HG LEU 46 19.461 18.399 -13.655 356 1HD1 LEU 46 1HD1 LEU 46 18.536 17.538 -10.902 357 2HD1 LEU 46 2HD1 LEU 46 20.161 18.093 -11.369 358 3HD1 LEU 46 3HD1 LEU 46 18.788 19.224 -11.413 359 1HD2 LEU 46 1HD2 LEU 46 18.265 15.715 -13.180 360 2HD2 LEU 46 2HD2 LEU 46 19.543 16.227 -14.309 361 3HD2 LEU 46 3HD2 LEU 46 19.918 15.997 -12.584 362 H ARG 47 HN ARG 47 16.436 20.768 -14.190 363 HA ARG 47 HA ARG 47 13.703 20.539 -14.380 364 1HB ARG 47 2HB ARG 47 15.567 22.953 -14.529 365 2HB ARG 47 3HB ARG 47 13.824 23.131 -14.515 366 1HG ARG 47 2HG ARG 47 14.101 21.455 -12.382 367 2HG ARG 47 3HG ARG 47 15.663 22.247 -12.315 368 1HD ARG 47 2HD ARG 47 13.865 24.370 -12.763 369 2HD ARG 47 3HD ARG 47 12.999 23.322 -11.657 370 HE ARG 47 HE ARG 47 15.498 23.429 -10.512 371 1HH1 ARG 47 1HH1 ARG 47 15.514 26.573 -8.996 372 2HH1 ARG 47 2HH1 ARG 47 16.219 24.991 -9.008 373 1HH2 ARG 47 1HH2 ARG 47 13.836 27.105 -10.510 374 2HH2 ARG 47 2HH2 ARG 47 13.289 25.921 -11.649 375 H GLU 48 HN GLU 48 16.078 22.093 -16.665 376 HA GLU 48 HA GLU 48 14.572 23.039 -18.568 377 1HB GLU 48 2HB GLU 48 17.010 22.955 -18.737 378 2HB GLU 48 3HB GLU 48 16.983 21.217 -18.960 379 1HG GLU 48 2HG GLU 48 15.349 21.887 -21.010 380 2HG GLU 48 3HG GLU 48 16.238 23.394 -20.900 381 H GLN 49 HN GLN 49 15.202 19.507 -18.115 382 HA GLN 49 HA GLN 49 12.844 19.053 -19.760 383 1HB GLN 49 2HB GLN 49 13.964 17.008 -20.696 384 2HB GLN 49 3HB GLN 49 14.732 18.505 -21.184 385 1HG GLN 49 2HG GLN 49 16.256 18.115 -19.049 386 2HG GLN 49 3HG GLN 49 15.698 16.457 -19.170 387 1HE2 GLN 49 1HE2 GLN 49 15.888 15.406 -21.303 388 2HE2 GLN 49 2HE2 GLN 49 17.285 15.726 -22.276 389 H ALA 50 HN ALA 50 12.599 19.289 -17.045 390 HA ALA 50 HA ALA 50 13.090 16.888 -15.642 391 1HB ALA 50 1HB ALA 50 12.834 18.627 -14.176 392 2HB ALA 50 2HB ALA 50 11.665 19.473 -15.217 393 3HB ALA 50 3HB ALA 50 11.133 18.102 -14.215 394 H GLY 51 HN GLY 51 9.772 18.190 -15.810 395 1HA GLY 51 1HA GLY 51 8.400 15.882 -15.716 396 2HA GLY 51 2HA GLY 51 7.846 17.292 -16.595 397 H GLY 52 HN GLY 52 10.136 17.208 -18.549 398 1HA GLY 52 1HA GLY 52 8.934 15.693 -20.563 399 2HA GLY 52 2HA GLY 52 10.555 16.359 -20.586 400 H ASP 53 HN ASP 53 11.795 14.668 -21.366 401 HA ASP 53 HA ASP 53 11.774 12.293 -19.691 402 1HB ASP 53 2HB ASP 53 12.047 10.865 -21.680 403 2HB ASP 53 3HB ASP 53 10.551 11.773 -21.788 404 H ALA 54 HN ALA 54 13.846 12.229 -18.809 405 HA ALA 54 HA ALA 54 16.045 13.187 -20.510 406 1HB ALA 54 1HB ALA 54 16.180 12.977 -17.503 407 2HB ALA 54 2HB ALA 54 17.080 14.051 -18.601 408 3HB ALA 54 3HB ALA 54 15.361 14.363 -18.262 409 H THR 55 HN THR 55 14.712 10.479 -20.455 410 HA THR 55 HA THR 55 16.110 8.614 -18.998 411 HB THR 55 HB THR 55 14.878 8.561 -21.797 412 HG1 THR 55 HG1 THR 55 14.201 7.802 -19.047 413 1HG2 THR 55 1HG2 THR 55 16.598 6.598 -20.867 414 2HG2 THR 55 2HG2 THR 55 15.049 6.065 -20.171 415 3HG2 THR 55 3HG2 THR 55 15.205 6.278 -21.930 416 H GLU 56 HN GLU 56 16.840 9.277 -22.487 417 HA GLU 56 HA GLU 56 19.290 8.032 -22.356 418 1HB GLU 56 2HB GLU 56 18.364 10.245 -24.241 419 2HB GLU 56 3HB GLU 56 19.746 9.204 -24.520 420 1HG GLU 56 2HG GLU 56 17.288 7.687 -23.880 421 2HG GLU 56 3HG GLU 56 17.114 8.678 -25.314 422 H ASN 57 HN ASN 57 18.361 11.491 -21.913 423 HA ASN 57 HA ASN 57 20.857 12.571 -21.867 424 1HB ASN 57 2HB ASN 57 18.181 13.257 -20.719 425 2HB ASN 57 3HB ASN 57 19.531 14.042 -19.923 426 1HD2 ASN 57 1HD2 ASN 57 19.953 15.960 -20.673 427 2HD2 ASN 57 2HD2 ASN 57 19.825 16.507 -22.311 428 H PHE 58 HN PHE 58 19.237 10.430 -19.599 429 HA PHE 58 HA PHE 58 21.035 11.124 -17.426 430 1HB PHE 58 2HB PHE 58 18.859 10.674 -16.604 431 2HB PHE 58 3HB PHE 58 18.488 9.578 -17.921 432 HD1 PHE 58 HD1 PHE 58 19.535 9.847 -14.513 433 HD2 PHE 58 HD2 PHE 58 19.526 7.251 -17.870 434 HE1 PHE 58 HE1 PHE 58 19.949 7.888 -13.000 435 HE2 PHE 58 HE2 PHE 58 19.940 5.292 -16.357 436 HZ PHE 58 HZ PHE 58 20.147 5.634 -13.940 437 H GLU 59 HN GLU 59 20.285 8.451 -19.718 438 HA GLU 59 HA GLU 59 22.167 6.719 -18.502 439 1HB GLU 59 2HB GLU 59 20.567 6.638 -21.081 440 2HB GLU 59 3HB GLU 59 21.755 5.405 -20.716 441 1HG GLU 59 2HG GLU 59 20.397 5.464 -18.334 442 2HG GLU 59 3HG GLU 59 19.107 5.934 -19.424 443 H ASP 60 HN ASP 60 22.142 9.072 -21.189 444 HA ASP 60 HA ASP 60 24.424 8.254 -22.468 445 1HB ASP 60 2HB ASP 60 22.651 10.177 -22.954 446 2HB ASP 60 3HB ASP 60 23.782 11.191 -22.080 447 H VAL 61 HN VAL 61 23.884 10.492 -19.670 448 HA VAL 61 HA VAL 61 26.604 11.232 -19.423 449 HB VAL 61 HB VAL 61 25.914 12.325 -17.436 450 1HG1 VAL 61 1HG1 VAL 61 23.543 13.243 -18.289 451 2HG1 VAL 61 2HG1 VAL 61 25.082 13.679 -19.073 452 3HG1 VAL 61 3HG1 VAL 61 24.060 12.399 -19.769 453 1HG2 VAL 61 1HG2 VAL 61 23.153 11.458 -17.214 454 2HG2 VAL 61 2HG2 VAL 61 24.274 10.087 -17.034 455 3HG2 VAL 61 3HG2 VAL 61 24.432 11.510 -15.977 456 H GLY 62 HN GLY 62 24.838 8.350 -18.721 457 1HA GLY 62 1HA GLY 62 25.375 6.453 -17.646 458 2HA GLY 62 2HA GLY 62 27.052 6.918 -17.856 459 H HIS 63 HN HIS 63 24.204 7.124 -15.696 460 HA HIS 63 HA HIS 63 25.552 8.540 -13.660 461 1HB HIS 63 2HB HIS 63 22.981 6.985 -13.840 462 2HB HIS 63 3HB HIS 63 23.565 7.548 -12.287 463 HD1 HIS 63 HD1 HIS 63 22.935 9.087 -15.754 464 HD2 HIS 63 HD2 HIS 63 22.645 10.039 -11.678 465 HE1 HIS 63 HE1 HIS 63 21.916 11.424 -15.637 466 H SER 64 HN SER 64 26.622 7.804 -11.806 467 HA SER 64 HA SER 64 27.701 5.186 -12.078 468 1HB SER 64 2HB SER 64 28.734 5.998 -9.732 469 2HB SER 64 3HB SER 64 29.355 6.570 -11.268 470 HG SER 64 HG SER 64 28.028 7.967 -9.259 471 H THR 65 HN THR 65 27.889 3.822 -9.899 472 HA THR 65 HA THR 65 25.375 2.883 -9.257 473 HB THR 65 HB THR 65 28.182 2.642 -8.191 474 HG1 THR 65 HG1 THR 65 26.792 1.435 -9.952 475 1HG2 THR 65 1HG2 THR 65 26.560 2.718 -6.153 476 2HG2 THR 65 2HG2 THR 65 25.821 1.253 -6.844 477 3HG2 THR 65 3HG2 THR 65 27.530 1.238 -6.345 478 H ASP 66 HN ASP 66 27.393 5.320 -7.529 479 HA ASP 66 HA ASP 66 26.054 5.601 -5.265 480 1HB ASP 66 2HB ASP 66 27.721 7.250 -6.913 481 2HB ASP 66 3HB ASP 66 26.382 8.259 -6.406 482 H ALA 67 HN ALA 67 25.091 6.803 -8.534 483 HA ALA 67 HA ALA 67 22.834 8.252 -7.659 484 1HB ALA 67 1HB ALA 67 24.133 8.470 -9.846 485 2HB ALA 67 2HB ALA 67 23.288 7.000 -10.390 486 3HB ALA 67 3HB ALA 67 22.360 8.467 -9.994 487 H ARG 68 HN ARG 68 23.360 4.890 -8.873 488 HA ARG 68 HA ARG 68 20.873 4.055 -9.220 489 1HB ARG 68 2HB ARG 68 23.383 2.843 -8.764 490 2HB ARG 68 3HB ARG 68 22.344 2.115 -7.555 491 1HG ARG 68 2HG ARG 68 20.797 2.173 -9.946 492 2HG ARG 68 3HG ARG 68 22.399 1.665 -10.440 493 1HD ARG 68 2HD ARG 68 21.977 0.196 -8.087 494 2HD ARG 68 3HD ARG 68 20.389 0.213 -8.829 495 HE ARG 68 HE ARG 68 21.214 -1.071 -10.632 496 1HH1 ARG 68 1HH1 ARG 68 24.407 -2.405 -11.089 497 2HH1 ARG 68 2HH1 ARG 68 22.761 -2.429 -11.626 498 1HH2 ARG 68 1HH2 ARG 68 25.043 -0.994 -9.360 499 2HH2 ARG 68 2HH2 ARG 68 23.871 0.035 -8.606 500 H GLU 69 HN GLU 69 22.556 4.495 -6.056 501 HA GLU 69 HA GLU 69 20.473 3.407 -4.537 502 1HB GLU 69 2HB GLU 69 22.817 5.226 -3.880 503 2HB GLU 69 3HB GLU 69 21.675 4.725 -2.649 504 1HG GLU 69 2HG GLU 69 22.819 2.568 -4.408 505 2HG GLU 69 3HG GLU 69 23.902 3.297 -3.238 506 H LEU 70 HN LEU 70 21.491 6.839 -5.184 507 HA LEU 70 HA LEU 70 19.450 8.057 -3.785 508 1HB LEU 70 2HB LEU 70 21.284 8.806 -6.001 509 2HB LEU 70 3HB LEU 70 19.893 9.838 -5.733 510 HG LEU 70 HG LEU 70 20.628 10.554 -3.661 511 1HD1 LEU 70 1HD1 LEU 70 20.924 8.641 -2.390 512 2HD1 LEU 70 2HD1 LEU 70 22.114 7.945 -3.517 513 3HD1 LEU 70 3HD1 LEU 70 22.573 9.309 -2.469 514 1HD2 LEU 70 1HD2 LEU 70 22.662 10.369 -5.729 515 2HD2 LEU 70 2HD2 LEU 70 22.242 11.721 -4.649 516 3HD2 LEU 70 3HD2 LEU 70 23.377 10.463 -4.101 517 H SER 71 HN SER 71 19.566 7.590 -7.392 518 HA SER 71 HA SER 71 17.186 8.366 -8.103 519 1HB SER 71 2HB SER 71 17.132 6.317 -9.702 520 2HB SER 71 3HB SER 71 18.511 7.395 -9.793 521 HG SER 71 HG SER 71 19.359 5.317 -9.725 522 H LYS 72 HN LYS 72 17.782 5.023 -6.786 523 HA LYS 72 HA LYS 72 15.121 4.247 -6.741 524 1HB LYS 72 2HB LYS 72 17.679 3.314 -5.620 525 2HB LYS 72 3HB LYS 72 16.282 2.857 -4.668 526 1HG LYS 72 2HG LYS 72 15.307 2.285 -7.146 527 2HG LYS 72 3HG LYS 72 17.015 2.066 -7.471 528 1HD LYS 72 2HD LYS 72 16.186 0.821 -4.922 529 2HD LYS 72 3HD LYS 72 15.306 0.180 -6.295 530 1HE LYS 72 2HE LYS 72 18.339 0.465 -6.340 531 2HE LYS 72 3HE LYS 72 17.562 -0.960 -5.679 532 1HZ LYS 72 1HZ LYS 72 16.460 -1.268 -7.792 533 2HZ LYS 72 2HZ LYS 72 17.179 0.064 -8.407 534 3HZ LYS 72 3HZ LYS 72 18.081 -1.233 -7.995 535 H THR 73 HN THR 73 17.163 5.746 -4.145 536 HA THR 73 HA THR 73 15.151 5.830 -2.214 537 HB THR 73 HB THR 73 17.855 6.933 -2.713 538 HG1 THR 73 HG1 THR 73 17.085 5.159 -1.246 539 1HG2 THR 73 1HG2 THR 73 16.636 9.094 -2.274 540 2HG2 THR 73 2HG2 THR 73 15.937 8.371 -0.805 541 3HG2 THR 73 3HG2 THR 73 17.693 8.639 -0.916 542 H TYR 74 HN TYR 74 15.800 7.908 -5.020 543 HA TYR 74 HA TYR 74 13.728 9.750 -4.087 544 1HB TYR 74 2HB TYR 74 15.930 9.658 -6.216 545 2HB TYR 74 3HB TYR 74 14.670 10.871 -6.329 546 HD1 TYR 74 HD1 TYR 74 17.548 9.697 -4.331 547 HD2 TYR 74 HD2 TYR 74 14.620 12.774 -4.838 548 HE1 TYR 74 HE1 TYR 74 18.845 11.204 -2.745 549 HE2 TYR 74 HE2 TYR 74 15.926 14.271 -3.251 550 HH TYR 74 HH TYR 74 19.107 13.540 -2.296 551 H ILE 75 HN ILE 75 12.823 7.140 -4.795 552 HA ILE 75 HA ILE 75 11.541 7.707 -7.378 553 HB ILE 75 HB ILE 75 13.192 5.695 -7.027 554 1HG1 ILE 75 2HG1 ILE 75 10.544 5.230 -8.417 555 2HG1 ILE 75 3HG1 ILE 75 11.769 6.321 -9.036 556 1HG2 ILE 75 1HG2 ILE 75 11.836 4.916 -5.008 557 2HG2 ILE 75 2HG2 ILE 75 10.619 4.363 -6.182 558 3HG2 ILE 75 3HG2 ILE 75 12.266 3.691 -6.225 559 1HD1 ILE 75 1HD1 ILE 75 12.016 4.102 -10.073 560 2HD1 ILE 75 2HD1 ILE 75 13.428 4.443 -9.045 561 3HD1 ILE 75 3HD1 ILE 75 12.151 3.344 -8.469 562 H ILE 76 HN ILE 76 9.296 7.553 -7.510 563 HA ILE 76 HA ILE 76 7.959 6.951 -4.965 564 HB ILE 76 HB ILE 76 6.528 8.771 -5.195 565 1HG1 ILE 76 2HG1 ILE 76 6.253 8.375 -7.725 566 2HG1 ILE 76 3HG1 ILE 76 6.068 10.006 -7.108 567 1HG2 ILE 76 1HG2 ILE 76 9.351 9.560 -5.929 568 2HG2 ILE 76 2HG2 ILE 76 8.085 10.746 -5.532 569 3HG2 ILE 76 3HG2 ILE 76 8.584 9.539 -4.323 570 1HD1 ILE 76 1HD1 ILE 76 7.478 10.269 -8.999 571 2HD1 ILE 76 2HD1 ILE 76 8.609 10.296 -7.624 572 3HD1 ILE 76 3HD1 ILE 76 8.429 8.820 -8.601 573 H GLY 77 HN GLY 77 7.924 6.952 -8.549 574 1HA GLY 77 1HA GLY 77 6.712 4.484 -8.803 575 2HA GLY 77 2HA GLY 77 5.404 5.650 -8.796 576 H GLU 78 HN GLU 78 5.198 4.684 -11.089 577 HA GLU 78 HA GLU 78 7.000 6.144 -12.858 578 1HB GLU 78 2HB GLU 78 6.655 4.414 -14.530 579 2HB GLU 78 3HB GLU 78 7.137 3.646 -13.031 580 1HG GLU 78 2HG GLU 78 4.494 3.528 -12.612 581 2HG GLU 78 3HG GLU 78 4.422 3.681 -14.357 582 H LEU 79 HN LEU 79 5.850 6.575 -15.117 583 HA LEU 79 HA LEU 79 3.246 7.736 -14.448 584 1HB LEU 79 2HB LEU 79 3.674 9.429 -15.939 585 2HB LEU 79 3HB LEU 79 5.242 9.142 -15.212 586 HG LEU 79 HG LEU 79 5.561 9.493 -17.549 587 1HD1 LEU 79 1HD1 LEU 79 6.855 7.652 -16.382 588 2HD1 LEU 79 2HD1 LEU 79 5.774 6.498 -17.201 589 3HD1 LEU 79 3HD1 LEU 79 6.809 7.583 -18.160 590 1HD2 LEU 79 1HD2 LEU 79 4.031 9.002 -19.074 591 2HD2 LEU 79 2HD2 LEU 79 4.236 7.262 -18.759 592 3HD2 LEU 79 3HD2 LEU 79 3.052 8.203 -17.820 593 H HIS 80 HN HIS 80 1.458 7.495 -15.913 594 HA HIS 80 HA HIS 80 0.893 5.032 -16.733 595 1HB HIS 80 2HB HIS 80 -0.303 7.497 -16.927 596 2HB HIS 80 3HB HIS 80 -0.096 7.074 -18.615 597 HD1 HIS 80 HD1 HIS 80 -2.736 6.862 -18.771 598 HD2 HIS 80 HD2 HIS 80 -0.864 4.074 -16.257 599 HE1 HIS 80 HE1 HIS 80 -4.463 5.040 -18.313 600 HA PRO 81 HA PRO 81 3.784 4.398 -19.969 601 1HB PRO 81 2HB PRO 81 3.438 1.696 -20.191 602 2HB PRO 81 3HB PRO 81 4.550 2.429 -19.052 603 1HG PRO 81 2HG PRO 81 1.911 1.202 -18.537 604 2HG PRO 81 3HG PRO 81 3.202 1.547 -17.402 605 1HD PRO 81 2HD PRO 81 0.778 3.041 -17.749 606 2HD PRO 81 3HD PRO 81 2.120 3.449 -16.699 607 H ASP 82 HN ASP 82 0.534 4.461 -20.024 608 HA ASP 82 HA ASP 82 0.158 3.249 -22.544 609 1HB ASP 82 2HB ASP 82 -1.670 3.458 -20.890 610 2HB ASP 82 3HB ASP 82 -1.545 5.206 -20.933 611 H ASP 83 HN ASP 83 0.886 6.499 -21.244 612 HA ASP 83 HA ASP 83 0.427 7.720 -23.805 613 1HB ASP 83 2HB ASP 83 1.294 8.734 -21.071 614 2HB ASP 83 3HB ASP 83 1.373 9.774 -22.479 615 H ARG 84 HN ARG 84 3.026 6.538 -21.671 616 HA ARG 84 HA ARG 84 5.138 7.926 -22.741 617 1HB ARG 84 2HB ARG 84 4.774 5.943 -20.804 618 2HB ARG 84 3HB ARG 84 5.744 5.114 -22.004 619 1HG ARG 84 2HG ARG 84 6.781 7.810 -21.589 620 2HG ARG 84 3HG ARG 84 6.637 6.987 -20.049 621 1HD ARG 84 2HD ARG 84 8.571 5.894 -20.528 622 2HD ARG 84 3HD ARG 84 7.714 5.030 -21.788 623 HE ARG 84 HE ARG 84 8.325 7.408 -23.031 624 1HH1 ARG 84 1HH1 ARG 84 11.709 7.019 -23.791 625 2HH1 ARG 84 2HH1 ARG 84 10.247 7.860 -24.183 626 1HH2 ARG 84 1HH2 ARG 84 11.717 5.431 -22.098 627 2HH2 ARG 84 2HH2 ARG 84 10.261 5.088 -21.226 628 H SER 85 HN SER 85 3.461 4.929 -23.790 629 HA SER 85 HA SER 85 5.350 4.696 -25.979 630 1HB SER 85 2HB SER 85 3.268 2.813 -24.813 631 2HB SER 85 3HB SER 85 4.026 2.493 -26.361 632 HG SER 85 HG SER 85 5.194 1.427 -24.689 633 H LYS 86 HN LYS 86 3.872 6.950 -26.313 634 HA LYS 86 HA LYS 86 1.406 6.389 -27.663 635 1HB LYS 86 2HB LYS 86 1.743 8.414 -26.289 636 2HB LYS 86 3HB LYS 86 2.988 8.963 -27.393 637 1HG LYS 86 2HG LYS 86 1.047 8.558 -29.220 638 2HG LYS 86 3HG LYS 86 0.009 8.781 -27.825 639 1HD LYS 86 2HD LYS 86 1.715 10.884 -27.451 640 2HD LYS 86 3HD LYS 86 1.802 10.753 -29.196 641 1HE LYS 86 2HE LYS 86 -0.009 12.279 -28.696 642 2HE LYS 86 3HE LYS 86 -0.739 10.793 -29.269 643 1HZ LYS 86 1HZ LYS 86 -0.373 11.469 -26.433 644 2HZ LYS 86 2HZ LYS 86 -1.771 11.647 -27.259 645 3HZ LYS 86 3HZ LYS 86 -1.148 10.157 -27.017 646 H ILE 87 HN ILE 87 4.796 6.470 -28.453 647 HA ILE 87 HA ILE 87 4.488 7.195 -31.179 648 HB ILE 87 HB ILE 87 6.682 5.945 -29.547 649 1HG1 ILE 87 2HG1 ILE 87 6.244 8.320 -29.176 650 2HG1 ILE 87 3HG1 ILE 87 7.805 8.070 -29.933 651 1HG2 ILE 87 1HG2 ILE 87 7.031 4.919 -31.635 652 2HG2 ILE 87 2HG2 ILE 87 6.591 6.392 -32.532 653 3HG2 ILE 87 3HG2 ILE 87 8.116 6.330 -31.615 654 1HD1 ILE 87 1HD1 ILE 87 5.236 9.034 -31.250 655 2HD1 ILE 87 2HD1 ILE 87 6.789 9.893 -31.117 656 3HD1 ILE 87 3HD1 ILE 87 6.641 8.483 -32.193 657 H ALA 88 HN ALA 88 4.858 4.053 -29.410 658 HA ALA 88 HA ALA 88 4.917 2.339 -31.504 659 1HB ALA 88 1HB ALA 88 4.947 1.010 -29.692 660 2HB ALA 88 2HB ALA 88 4.225 2.289 -28.686 661 3HB ALA 88 3HB ALA 88 3.177 1.178 -29.601 662 HHA HEM 95 HA HEM 95 27.044 13.087 -12.925 663 HHB HEM 95 HB HEM 95 22.946 11.020 -8.557 664 HHC HEM 95 HC HEM 95 18.117 12.711 -12.365 665 HHD HEM 95 HD HEM 95 22.266 14.816 -16.662 666 1HMA HEM 95 1HMA HEM 95 25.840 11.414 -7.567 667 2HMA HEM 95 2HMA HEM 95 26.444 9.957 -8.454 668 3HMA HEM 95 3HMA HEM 95 24.716 10.054 -7.997 669 1HAA HEM 95 1HAA HEM 95 27.600 10.220 -10.471 670 2HAA HEM 95 2HAA HEM 95 28.317 11.850 -9.942 671 1HBA HEM 95 1HBA HEM 95 28.132 11.414 -12.779 672 2HBA HEM 95 2HBA HEM 95 29.504 10.898 -11.734 673 1HMB HEM 95 1HMB HEM 95 20.185 11.567 -7.116 674 2HMB HEM 95 2HMB HEM 95 21.235 10.216 -7.719 675 3HMB HEM 95 3HMB HEM 95 19.462 10.065 -7.840 676 HAB HEM 95 HAB HEM 95 17.477 12.495 -9.601 677 1HBB HEM 95 HBB HEM 95 17.597 9.415 -9.749 678 2HBB HEM 95 HBB HEM 95 16.120 10.539 -9.465 679 1HMC HEM 95 1HMC HEM 95 16.998 14.414 -14.446 680 2HMC HEM 95 2HMC HEM 95 17.204 12.621 -14.272 681 3HMC HEM 95 3HMC HEM 95 17.285 13.374 -15.895 682 HAC HEM 95 HAC HEM 95 20.493 14.845 -17.552 683 1HBC HEM 95 HBC HEM 95 17.716 15.566 -16.409 684 2HBC HEM 95 HBC HEM 95 18.409 15.953 -18.111 685 1HMD HEM 95 1HMD HEM 95 24.669 16.501 -16.725 686 2HMD HEM 95 2HMD HEM 95 24.404 15.025 -17.744 687 3HMD HEM 95 3HMD HEM 95 26.076 15.513 -17.273 688 1HAD HEM 95 1HAD HEM 95 27.881 14.386 -14.081 689 2HAD HEM 95 2HAD HEM 95 27.541 15.459 -15.466 690 1HBD HEM 95 1HBD HEM 95 27.579 13.349 -16.983 691 2HBD HEM 95 2HBD HEM 95 28.135 12.418 -15.582 Start of MODEL 16 1 H VAL 4 HN VAL 4 2.258 -0.796 -8.410 2 HA VAL 4 HA VAL 4 4.210 1.113 -7.333 3 HB VAL 4 HB VAL 4 4.632 -0.487 -9.367 4 1HG1 VAL 4 1HG1 VAL 4 3.231 1.828 -10.745 5 2HG1 VAL 4 2HG1 VAL 4 4.037 0.444 -11.524 6 3HG1 VAL 4 3HG1 VAL 4 2.558 0.190 -10.565 7 1HG2 VAL 4 1HG2 VAL 4 5.495 2.168 -10.219 8 2HG2 VAL 4 2HG2 VAL 4 5.727 1.912 -8.473 9 3HG2 VAL 4 3HG2 VAL 4 6.454 0.784 -9.642 10 H LYS 5 HN LYS 5 4.018 3.354 -8.510 11 HA LYS 5 HA LYS 5 1.166 4.046 -8.466 12 1HB LYS 5 2HB LYS 5 2.972 4.975 -6.760 13 2HB LYS 5 3HB LYS 5 3.334 6.076 -8.074 14 1HG LYS 5 2HG LYS 5 1.640 7.117 -6.672 15 2HG LYS 5 3HG LYS 5 0.888 6.687 -8.196 16 1HD LYS 5 2HD LYS 5 0.786 4.579 -6.074 17 2HD LYS 5 3HD LYS 5 -0.146 6.026 -5.742 18 1HE LYS 5 2HE LYS 5 -0.540 5.197 -8.518 19 2HE LYS 5 3HE LYS 5 -0.878 3.860 -7.438 20 1HZ LYS 5 1HZ LYS 5 -1.944 6.390 -6.603 21 2HZ LYS 5 2HZ LYS 5 -2.599 5.790 -7.973 22 3HZ LYS 5 3HZ LYS 5 -2.638 4.912 -6.595 23 H TYR 6 HN TYR 6 0.257 4.535 -10.384 24 HA TYR 6 HA TYR 6 2.072 5.180 -12.589 25 1HB TYR 6 2HB TYR 6 -0.889 4.353 -12.356 26 2HB TYR 6 3HB TYR 6 -0.068 4.591 -13.886 27 HD1 TYR 6 HD1 TYR 6 2.472 3.241 -13.617 28 HD2 TYR 6 HD2 TYR 6 -1.349 2.098 -12.069 29 HE1 TYR 6 HE1 TYR 6 3.200 0.805 -13.598 30 HE2 TYR 6 HE2 TYR 6 -0.608 -0.334 -12.056 31 HH TYR 6 HH TYR 6 1.130 -1.684 -12.204 32 H TYR 7 HN TYR 7 2.354 7.313 -13.011 33 HA TYR 7 HA TYR 7 0.124 9.110 -12.378 34 1HB TYR 7 2HB TYR 7 3.047 9.704 -13.122 35 2HB TYR 7 3HB TYR 7 1.941 10.790 -12.303 36 HD1 TYR 7 HD1 TYR 7 4.741 8.879 -11.782 37 HD2 TYR 7 HD2 TYR 7 0.892 9.554 -10.040 38 HE1 TYR 7 HE1 TYR 7 5.610 8.078 -9.532 39 HE2 TYR 7 HE2 TYR 7 1.774 8.752 -7.795 40 HH TYR 7 HH TYR 7 3.465 7.994 -6.696 41 H THR 8 HN THR 8 -0.551 10.715 -13.912 42 HA THR 8 HA THR 8 -0.384 9.776 -16.623 43 HB THR 8 HB THR 8 -1.843 11.997 -16.827 44 HG1 THR 8 HG1 THR 8 -0.937 12.512 -14.563 45 1HG2 THR 8 1HG2 THR 8 -2.669 9.496 -16.595 46 2HG2 THR 8 2HG2 THR 8 -2.960 9.931 -14.895 47 3HG2 THR 8 3HG2 THR 8 -3.805 10.806 -16.194 48 H LEU 9 HN LEU 9 0.372 10.964 -18.454 49 HA LEU 9 HA LEU 9 2.906 12.027 -18.085 50 1HB LEU 9 2HB LEU 9 3.008 12.057 -20.323 51 2HB LEU 9 3HB LEU 9 1.584 11.047 -20.160 52 HG LEU 9 HG LEU 9 1.460 14.041 -20.593 53 1HD1 LEU 9 1HD1 LEU 9 2.235 12.014 -22.451 54 2HD1 LEU 9 2HD1 LEU 9 0.632 12.633 -22.917 55 3HD1 LEU 9 3HD1 LEU 9 1.999 13.757 -22.723 56 1HD2 LEU 9 1HD2 LEU 9 -0.516 12.003 -20.018 57 2HD2 LEU 9 2HD2 LEU 9 -0.688 13.773 -20.098 58 3HD2 LEU 9 3HD2 LEU 9 -0.842 12.796 -21.578 59 H GLU 10 HN GLU 10 -0.196 13.411 -17.492 60 HA GLU 10 HA GLU 10 0.467 16.069 -18.115 61 1HB GLU 10 2HB GLU 10 -1.785 14.595 -16.957 62 2HB GLU 10 3HB GLU 10 -1.528 16.110 -16.115 63 1HG GLU 10 2HG GLU 10 -1.237 16.612 -18.945 64 2HG GLU 10 3HG GLU 10 -2.709 15.689 -18.713 65 H GLU 11 HN GLU 11 0.608 14.046 -15.134 66 HA GLU 11 HA GLU 11 1.121 15.963 -13.302 67 1HB GLU 11 2HB GLU 11 1.275 13.143 -13.450 68 2HB GLU 11 3HB GLU 11 2.855 13.643 -12.881 69 1HG GLU 11 2HG GLU 11 1.932 13.837 -10.815 70 2HG GLU 11 3HG GLU 11 1.112 15.269 -11.405 71 H ILE 12 HN ILE 12 3.760 13.965 -14.822 72 HA ILE 12 HA ILE 12 5.925 15.244 -14.039 73 HB ILE 12 HB ILE 12 6.478 14.949 -16.721 74 1HG1 ILE 12 2HG1 ILE 12 3.933 14.144 -16.709 75 2HG1 ILE 12 3HG1 ILE 12 5.150 13.426 -17.745 76 1HG2 ILE 12 1HG2 ILE 12 6.676 13.244 -14.280 77 2HG2 ILE 12 2HG2 ILE 12 7.029 12.501 -15.859 78 3HG2 ILE 12 3HG2 ILE 12 7.953 13.922 -15.318 79 1HD1 ILE 12 1HD1 ILE 12 4.904 12.273 -14.986 80 2HD1 ILE 12 2HD1 ILE 12 3.572 11.946 -16.121 81 3HD1 ILE 12 3HD1 ILE 12 5.232 11.457 -16.534 82 H GLN 13 HN GLN 13 4.010 16.360 -16.923 83 HA GLN 13 HA GLN 13 5.401 18.557 -17.525 84 1HB GLN 13 2HB GLN 13 2.389 18.126 -17.509 85 2HB GLN 13 3HB GLN 13 3.122 19.553 -18.213 86 1HG GLN 13 2HG GLN 13 4.370 16.989 -19.073 87 2HG GLN 13 3HG GLN 13 2.697 17.173 -19.559 88 1HE2 GLN 13 1HE2 GLN 13 5.808 18.872 -19.465 89 2HE2 GLN 13 2HE2 GLN 13 5.627 19.761 -20.940 90 H LYS 14 HN LYS 14 2.748 18.367 -15.050 91 HA LYS 14 HA LYS 14 2.856 21.019 -14.265 92 1HB LYS 14 2HB LYS 14 2.150 18.607 -12.568 93 2HB LYS 14 3HB LYS 14 1.684 20.268 -12.264 94 1HG LYS 14 2HG LYS 14 0.835 18.522 -14.615 95 2HG LYS 14 3HG LYS 14 -0.190 19.146 -13.339 96 1HD LYS 14 2HD LYS 14 0.337 21.495 -14.118 97 2HD LYS 14 3HD LYS 14 1.261 20.818 -15.444 98 1HE LYS 14 2HE LYS 14 -0.947 19.473 -15.983 99 2HE LYS 14 3HE LYS 14 -1.732 20.661 -14.963 100 1HZ LYS 14 1HZ LYS 14 -1.284 21.023 -17.528 101 2HZ LYS 14 2HZ LYS 14 -1.399 22.261 -16.468 102 3HZ LYS 14 3HZ LYS 14 0.069 21.720 -16.938 103 H HIS 15 HN HIS 15 4.752 18.153 -13.179 104 HA HIS 15 HA HIS 15 6.149 19.716 -11.237 105 1HB HIS 15 2HB HIS 15 7.131 17.052 -12.174 106 2HB HIS 15 3HB HIS 15 7.118 17.737 -10.561 107 HD1 HIS 15 HD1 HIS 15 4.233 18.300 -9.973 108 HD2 HIS 15 HD2 HIS 15 5.449 14.913 -12.129 109 HE1 HIS 15 HE1 HIS 15 2.346 16.597 -9.752 110 H LYS 16 HN LYS 16 6.467 21.281 -13.320 111 HA LYS 16 HA LYS 16 9.048 20.536 -14.505 112 1HB LYS 16 2HB LYS 16 6.637 21.900 -15.563 113 2HB LYS 16 3HB LYS 16 8.171 22.603 -16.035 114 1HG LYS 16 2HG LYS 16 8.938 20.245 -16.695 115 2HG LYS 16 3HG LYS 16 7.293 19.706 -16.423 116 1HD LYS 16 2HD LYS 16 6.711 20.410 -18.495 117 2HD LYS 16 3HD LYS 16 7.125 22.056 -18.059 118 1HE LYS 16 2HE LYS 16 9.074 21.996 -19.247 119 2HE LYS 16 3HE LYS 16 9.533 20.443 -18.577 120 1HZ LYS 16 1HZ LYS 16 8.266 19.341 -20.177 121 2HZ LYS 16 2HZ LYS 16 7.469 20.689 -20.643 122 3HZ LYS 16 3HZ LYS 16 9.051 20.507 -21.008 123 H ASP 17 HN ASP 17 8.438 21.669 -11.759 124 HA ASP 17 HA ASP 17 10.144 23.996 -12.095 125 1HB ASP 17 2HB ASP 17 7.465 23.811 -10.778 126 2HB ASP 17 3HB ASP 17 8.686 24.668 -9.858 127 H SER 18 HN SER 18 11.055 24.605 -9.739 128 HA SER 18 HA SER 18 12.422 22.426 -8.802 129 1HB SER 18 2HB SER 18 11.808 25.129 -7.547 130 2HB SER 18 3HB SER 18 12.861 23.966 -6.766 131 HG SER 18 HG SER 18 13.232 25.247 -9.331 132 H LYS 19 HN LYS 19 9.484 24.090 -7.473 133 HA LYS 19 HA LYS 19 9.131 22.802 -5.143 134 1HB LYS 19 2HB LYS 19 7.377 24.041 -7.155 135 2HB LYS 19 3HB LYS 19 6.564 22.863 -6.144 136 1HG LYS 19 2HG LYS 19 7.730 24.062 -4.134 137 2HG LYS 19 3HG LYS 19 8.073 25.354 -5.266 138 1HD LYS 19 2HD LYS 19 5.312 24.665 -5.624 139 2HD LYS 19 3HD LYS 19 5.585 24.760 -3.895 140 1HE LYS 19 2HE LYS 19 6.001 27.031 -3.939 141 2HE LYS 19 3HE LYS 19 6.843 26.957 -5.475 142 1HZ LYS 19 1HZ LYS 19 3.946 26.948 -5.039 143 2HZ LYS 19 2HZ LYS 19 4.833 28.049 -5.856 144 3HZ LYS 19 3HZ LYS 19 4.610 26.556 -6.479 145 H SER 20 HN SER 20 8.281 21.528 -8.422 146 HA SER 20 HA SER 20 8.461 18.886 -7.248 147 1HB SER 20 2HB SER 20 6.102 19.996 -8.804 148 2HB SER 20 3HB SER 20 6.431 18.275 -8.779 149 HG SER 20 HG SER 20 5.156 18.434 -7.022 150 H THR 21 HN THR 21 10.318 18.248 -8.344 151 HA THR 21 HA THR 21 10.318 18.655 -11.261 152 HB THR 21 HB THR 21 12.475 18.572 -9.117 153 HG1 THR 21 HG1 THR 21 11.882 20.658 -9.745 154 1HG2 THR 21 1HG2 THR 21 13.379 18.825 -11.928 155 2HG2 THR 21 2HG2 THR 21 14.113 17.911 -10.587 156 3HG2 THR 21 3HG2 THR 21 12.789 17.192 -11.535 157 H TRP 22 HN TRP 22 9.665 16.929 -12.374 158 HA TRP 22 HA TRP 22 10.445 14.307 -11.291 159 1HB TRP 22 2HB TRP 22 7.902 15.280 -12.515 160 2HB TRP 22 3HB TRP 22 8.400 13.630 -12.830 161 HD1 TRP 22 HD1 TRP 22 9.263 14.963 -9.363 162 HE1 TRP 22 HE1 TRP 22 7.773 13.858 -7.487 163 HE3 TRP 22 HE3 TRP 22 6.025 12.676 -12.548 164 HZ2 TRP 22 HZ2 TRP 22 5.458 12.189 -7.544 165 HZ3 TRP 22 HZ3 TRP 22 4.179 11.328 -11.555 166 HH2 TRP 22 HH2 TRP 22 3.867 11.066 -9.145 167 H VAL 23 HN VAL 23 10.865 12.655 -13.039 168 HA VAL 23 HA VAL 23 11.285 13.619 -15.694 169 HB VAL 23 HB VAL 23 13.236 14.593 -14.710 170 1HG1 VAL 23 1HG1 VAL 23 13.956 11.850 -13.625 171 2HG1 VAL 23 2HG1 VAL 23 14.878 13.359 -13.426 172 3HG1 VAL 23 3HG1 VAL 23 13.283 13.184 -12.658 173 1HG2 VAL 23 1HG2 VAL 23 14.770 12.399 -15.786 174 2HG2 VAL 23 2HG2 VAL 23 13.301 12.647 -16.760 175 3HG2 VAL 23 3HG2 VAL 23 14.433 13.996 -16.495 176 H ILE 24 HN ILE 24 10.673 11.936 -16.944 177 HA ILE 24 HA ILE 24 10.251 9.392 -15.842 178 HB ILE 24 HB ILE 24 9.475 10.789 -18.090 179 1HG1 ILE 24 2HG1 ILE 24 8.493 8.804 -16.566 180 2HG1 ILE 24 3HG1 ILE 24 7.787 9.291 -18.093 181 1HG2 ILE 24 1HG2 ILE 24 11.016 8.347 -19.010 182 2HG2 ILE 24 2HG2 ILE 24 10.031 9.438 -20.013 183 3HG2 ILE 24 3HG2 ILE 24 11.527 10.034 -19.255 184 1HD1 ILE 24 1HD1 ILE 24 9.155 7.545 -19.268 185 2HD1 ILE 24 2HD1 ILE 24 9.792 7.024 -17.689 186 3HD1 ILE 24 3HD1 ILE 24 8.057 6.851 -18.051 187 H LEU 25 HN LEU 25 11.633 7.747 -15.456 188 HA LEU 25 HA LEU 25 14.053 7.624 -17.093 189 1HB LEU 25 2HB LEU 25 13.892 8.255 -14.263 190 2HB LEU 25 3HB LEU 25 14.836 6.806 -14.545 191 HG LEU 25 HG LEU 25 16.368 7.976 -15.979 192 1HD1 LEU 25 1HD1 LEU 25 15.972 10.596 -16.089 193 2HD1 LEU 25 2HD1 LEU 25 15.275 9.486 -17.292 194 3HD1 LEU 25 3HD1 LEU 25 14.268 10.097 -15.958 195 1HD2 LEU 25 1HD2 LEU 25 15.805 9.635 -13.505 196 2HD2 LEU 25 2HD2 LEU 25 16.763 8.136 -13.569 197 3HD2 LEU 25 3HD2 LEU 25 17.331 9.592 -14.421 198 H HIS 26 HN HIS 26 13.999 5.709 -18.130 199 HA HIS 26 HA HIS 26 13.343 3.652 -18.632 200 1HB HIS 26 2HB HIS 26 14.067 2.636 -15.939 201 2HB HIS 26 3HB HIS 26 14.587 2.104 -17.524 202 HD1 HIS 26 HD1 HIS 26 15.225 4.984 -15.087 203 HD2 HIS 26 HD2 HIS 26 17.098 2.958 -18.246 204 HE1 HIS 26 HE1 HIS 26 17.602 5.905 -15.218 205 H HIS 27 HN HIS 27 11.071 4.994 -18.145 206 HA HIS 27 HA HIS 27 8.971 4.828 -17.530 207 1HB HIS 27 2HB HIS 27 9.610 1.878 -17.239 208 2HB HIS 27 3HB HIS 27 7.999 2.563 -17.327 209 HD1 HIS 27 HD1 HIS 27 10.768 1.351 -19.427 210 HD2 HIS 27 HD2 HIS 27 7.410 3.815 -19.923 211 HE1 HIS 27 HE1 HIS 27 10.388 1.544 -21.943 212 H LYS 28 HN LYS 28 10.380 5.937 -15.556 213 HA LYS 28 HA LYS 28 8.904 5.264 -13.261 214 1HB LYS 28 2HB LYS 28 11.198 3.658 -13.613 215 2HB LYS 28 3HB LYS 28 11.630 4.837 -12.390 216 1HG LYS 28 2HG LYS 28 10.234 3.909 -10.844 217 2HG LYS 28 3HG LYS 28 8.902 3.814 -11.979 218 1HD LYS 28 2HD LYS 28 9.218 1.570 -12.061 219 2HD LYS 28 3HD LYS 28 10.728 1.866 -12.900 220 1HE LYS 28 2HE LYS 28 11.787 0.915 -11.128 221 2HE LYS 28 3HE LYS 28 11.382 2.351 -10.209 222 1HZ LYS 28 1HZ LYS 28 9.209 0.536 -10.398 223 2HZ LYS 28 2HZ LYS 28 10.514 -0.141 -9.687 224 3HZ LYS 28 3HZ LYS 28 9.870 1.229 -9.075 225 H VAL 29 HN VAL 29 8.378 7.427 -13.125 226 HA VAL 29 HA VAL 29 10.131 9.515 -13.620 227 HB VAL 29 HB VAL 29 8.476 10.900 -12.617 228 1HG1 VAL 29 1HG1 VAL 29 6.659 8.758 -13.600 229 2HG1 VAL 29 2HG1 VAL 29 6.791 10.466 -14.084 230 3HG1 VAL 29 3HG1 VAL 29 7.961 9.274 -14.700 231 1HG2 VAL 29 1HG2 VAL 29 6.925 8.594 -11.490 232 2HG2 VAL 29 2HG2 VAL 29 8.304 9.240 -10.570 233 3HG2 VAL 29 3HG2 VAL 29 6.945 10.306 -11.000 234 H TYR 30 HN TYR 30 11.517 10.759 -12.333 235 HA TYR 30 HA TYR 30 12.075 9.584 -9.692 236 1HB TYR 30 2HB TYR 30 13.693 10.705 -12.021 237 2HB TYR 30 3HB TYR 30 14.361 10.894 -10.411 238 HD1 TYR 30 HD1 TYR 30 12.403 7.925 -10.597 239 HD2 TYR 30 HD2 TYR 30 16.244 9.523 -11.595 240 HE1 TYR 30 HE1 TYR 30 13.358 5.572 -10.717 241 HE2 TYR 30 HE2 TYR 30 17.186 7.164 -11.711 242 HH TYR 30 HH TYR 30 15.394 4.522 -12.037 243 H ASP 31 HN ASP 31 11.140 10.897 -8.181 244 HA ASP 31 HA ASP 31 10.821 13.656 -8.697 245 1HB ASP 31 2HB ASP 31 9.175 12.547 -7.319 246 2HB ASP 31 3HB ASP 31 10.403 11.877 -6.264 247 H LEU 32 HN LEU 32 13.211 14.115 -9.072 248 HA LEU 32 HA LEU 32 14.860 13.967 -6.685 249 1HB LEU 32 2HB LEU 32 16.689 14.489 -8.126 250 2HB LEU 32 3HB LEU 32 15.747 13.186 -8.824 251 HG LEU 32 HG LEU 32 14.787 15.688 -9.870 252 1HD1 LEU 32 1HD1 LEU 32 17.603 15.376 -10.754 253 2HD1 LEU 32 2HD1 LEU 32 16.592 16.833 -10.606 254 3HD1 LEU 32 3HD1 LEU 32 17.341 16.118 -9.158 255 1HD2 LEU 32 1HD2 LEU 32 16.155 13.268 -11.060 256 2HD2 LEU 32 2HD2 LEU 32 14.417 13.650 -11.031 257 3HD2 LEU 32 3HD2 LEU 32 15.524 14.620 -12.031 258 H THR 33 HN THR 33 12.623 15.638 -6.371 259 HA THR 33 HA THR 33 13.117 18.311 -7.072 260 HB THR 33 HB THR 33 11.578 17.285 -4.641 261 HG1 THR 33 HG1 THR 33 11.392 16.865 -7.442 262 1HG2 THR 33 1HG2 THR 33 10.503 19.281 -6.606 263 2HG2 THR 33 2HG2 THR 33 10.327 19.233 -4.835 264 3HG2 THR 33 3HG2 THR 33 11.827 19.855 -5.563 265 H LYS 34 HN LYS 34 13.876 16.459 -4.058 266 HA LYS 34 HA LYS 34 15.108 18.696 -2.839 267 1HB LYS 34 2HB LYS 34 14.150 16.934 -1.498 268 2HB LYS 34 3HB LYS 34 15.177 15.726 -2.242 269 1HG LYS 34 2HG LYS 34 16.984 17.693 -1.319 270 2HG LYS 34 3HG LYS 34 15.782 17.587 -0.047 271 1HD LYS 34 2HD LYS 34 16.971 15.058 -1.237 272 2HD LYS 34 3HD LYS 34 17.847 15.948 -0.006 273 1HE LYS 34 2HE LYS 34 14.937 15.285 0.487 274 2HE LYS 34 3HE LYS 34 16.128 14.011 0.662 275 1HZ LYS 34 1HZ LYS 34 15.540 15.656 2.597 276 2HZ LYS 34 2HZ LYS 34 17.032 15.013 2.441 277 3HZ LYS 34 3HZ LYS 34 16.741 16.535 1.925 278 H TYR 35 HN TYR 35 16.235 15.952 -4.863 279 HA TYR 35 HA TYR 35 18.981 16.852 -4.596 280 1HB TYR 35 2HB TYR 35 18.263 14.417 -4.613 281 2HB TYR 35 3HB TYR 35 17.515 14.650 -6.180 282 HD1 TYR 35 HD1 TYR 35 18.765 14.410 -8.178 283 HD2 TYR 35 HD2 TYR 35 20.802 14.673 -4.425 284 HE1 TYR 35 HE1 TYR 35 20.948 13.766 -9.311 285 HE2 TYR 35 HE2 TYR 35 22.979 14.029 -5.571 286 HH TYR 35 HH TYR 35 23.830 13.113 -7.428 287 H LEU 36 HN LEU 36 16.634 18.363 -6.047 288 HA LEU 36 HA LEU 36 17.360 18.291 -8.790 289 1HB LEU 36 2HB LEU 36 15.141 18.865 -8.211 290 2HB LEU 36 3HB LEU 36 15.664 20.117 -7.101 291 HG LEU 36 HG LEU 36 14.692 20.922 -9.273 292 1HD1 LEU 36 1HD1 LEU 36 16.920 21.876 -7.805 293 2HD1 LEU 36 2HD1 LEU 36 17.252 22.183 -9.526 294 3HD1 LEU 36 3HD1 LEU 36 15.757 22.803 -8.784 295 1HD2 LEU 36 1HD2 LEU 36 17.088 19.477 -10.345 296 2HD2 LEU 36 2HD2 LEU 36 15.422 19.550 -10.967 297 3HD2 LEU 36 3HD2 LEU 36 16.507 20.947 -11.163 298 H GLU 37 HN GLU 37 18.016 20.557 -6.038 299 HA GLU 37 HA GLU 37 19.850 21.982 -7.736 300 1HB GLU 37 2HB GLU 37 20.018 23.566 -5.867 301 2HB GLU 37 3HB GLU 37 18.334 23.229 -6.215 302 1HG GLU 37 2HG GLU 37 17.992 22.119 -4.217 303 2HG GLU 37 3HG GLU 37 19.591 21.402 -4.215 304 H GLU 38 HN GLU 38 19.902 19.211 -5.790 305 HA GLU 38 HA GLU 38 22.515 19.663 -4.713 306 1HB GLU 38 2HB GLU 38 20.453 18.196 -3.805 307 2HB GLU 38 3HB GLU 38 21.233 16.940 -4.748 308 1HG GLU 38 2HG GLU 38 23.387 18.113 -3.407 309 2HG GLU 38 3HG GLU 38 22.104 18.208 -2.216 310 H HIS 39 HN HIS 39 21.045 18.352 -7.611 311 HA HIS 39 HA HIS 39 22.834 16.454 -8.392 312 1HB HIS 39 2HB HIS 39 20.669 17.287 -9.496 313 2HB HIS 39 3HB HIS 39 21.661 18.497 -10.283 314 HD1 HIS 39 HD1 HIS 39 21.693 17.678 -12.666 315 HD2 HIS 39 HD2 HIS 39 22.631 14.656 -9.914 316 HE1 HIS 39 HE1 HIS 39 22.405 15.652 -14.045 317 HA PRO 40 HA PRO 40 26.514 18.748 -8.792 318 1HB PRO 40 2HB PRO 40 28.137 16.716 -9.636 319 2HB PRO 40 3HB PRO 40 27.774 17.016 -7.948 320 1HG PRO 40 2HG PRO 40 26.730 14.891 -9.719 321 2HG PRO 40 3HG PRO 40 26.724 14.962 -7.967 322 1HD PRO 40 2HD PRO 40 24.499 15.445 -9.713 323 2HD PRO 40 3HD PRO 40 24.524 15.629 -7.969 324 H GLY 41 HN GLY 41 25.149 16.861 -11.355 325 1HA GLY 41 1HA GLY 41 26.805 17.818 -13.426 326 2HA GLY 41 2HA GLY 41 25.208 17.115 -13.588 327 H GLY 42 HN GLY 42 23.319 18.647 -12.807 328 1HA GLY 42 1HA GLY 42 23.734 21.450 -12.871 329 2HA GLY 42 2HA GLY 42 23.254 20.878 -14.457 330 H GLU 43 HN GLU 43 21.752 22.595 -12.523 331 HA GLU 43 HA GLU 43 19.668 20.855 -11.594 332 1HB GLU 43 2HB GLU 43 18.686 22.966 -10.676 333 2HB GLU 43 3HB GLU 43 20.335 22.699 -10.148 334 1HG GLU 43 2HG GLU 43 20.560 24.146 -12.587 335 2HG GLU 43 3HG GLU 43 19.239 24.907 -11.721 336 H GLU 44 HN GLU 44 20.446 22.834 -14.376 337 HA GLU 44 HA GLU 44 17.729 23.187 -15.150 338 1HB GLU 44 2HB GLU 44 19.704 24.745 -15.697 339 2HB GLU 44 3HB GLU 44 20.206 23.554 -16.881 340 1HG GLU 44 2HG GLU 44 18.801 24.586 -18.340 341 2HG GLU 44 3HG GLU 44 17.482 23.861 -17.441 342 H VAL 45 HN VAL 45 20.565 21.270 -16.379 343 HA VAL 45 HA VAL 45 19.484 19.987 -18.462 344 HB VAL 45 HB VAL 45 21.661 19.452 -18.070 345 1HG1 VAL 45 1HG1 VAL 45 22.291 18.424 -15.693 346 2HG1 VAL 45 2HG1 VAL 45 22.224 20.182 -15.971 347 3HG1 VAL 45 3HG1 VAL 45 20.856 19.350 -15.191 348 1HG2 VAL 45 1HG2 VAL 45 20.633 16.995 -16.682 349 2HG2 VAL 45 2HG2 VAL 45 20.083 17.361 -18.335 350 3HG2 VAL 45 3HG2 VAL 45 21.818 17.148 -18.001 351 H LEU 46 HN LEU 46 18.596 19.616 -15.052 352 HA LEU 46 HA LEU 46 17.054 17.237 -15.590 353 1HB LEU 46 2HB LEU 46 16.931 18.832 -13.059 354 2HB LEU 46 3HB LEU 46 16.716 17.110 -13.300 355 HG LEU 46 HG LEU 46 19.400 18.344 -13.843 356 1HD1 LEU 46 1HD1 LEU 46 18.516 17.481 -11.079 357 2HD1 LEU 46 2HD1 LEU 46 20.078 18.188 -11.561 358 3HD1 LEU 46 3HD1 LEU 46 18.599 19.177 -11.615 359 1HD2 LEU 46 1HD2 LEU 46 18.273 15.644 -13.400 360 2HD2 LEU 46 2HD2 LEU 46 19.643 16.176 -14.405 361 3HD2 LEU 46 3HD2 LEU 46 19.855 15.962 -12.650 362 H ARG 47 HN ARG 47 16.336 20.597 -14.396 363 HA ARG 47 HA ARG 47 13.625 20.352 -14.620 364 1HB ARG 47 2HB ARG 47 15.437 22.799 -14.893 365 2HB ARG 47 3HB ARG 47 13.691 22.923 -14.801 366 1HG ARG 47 2HG ARG 47 13.893 21.500 -12.617 367 2HG ARG 47 3HG ARG 47 15.604 21.876 -12.680 368 1HD ARG 47 2HD ARG 47 13.443 24.032 -12.782 369 2HD ARG 47 3HD ARG 47 14.151 23.474 -11.279 370 HE ARG 47 HE ARG 47 16.391 24.075 -12.724 371 1HH1 ARG 47 1HH1 ARG 47 16.467 27.565 -12.717 372 2HH1 ARG 47 2HH1 ARG 47 17.401 26.117 -12.899 373 1HH2 ARG 47 1HH2 ARG 47 14.189 27.429 -12.293 374 2HH2 ARG 47 2HH2 ARG 47 13.424 25.882 -12.160 375 H GLU 48 HN GLU 48 15.962 21.903 -16.950 376 HA GLU 48 HA GLU 48 14.424 22.738 -18.882 377 1HB GLU 48 2HB GLU 48 16.916 22.659 -18.952 378 2HB GLU 48 3HB GLU 48 16.855 20.948 -19.330 379 1HG GLU 48 2HG GLU 48 16.679 21.467 -21.528 380 2HG GLU 48 3HG GLU 48 15.119 22.200 -21.210 381 H GLN 49 HN GLN 49 15.164 19.251 -18.296 382 HA GLN 49 HA GLN 49 12.877 18.661 -20.002 383 1HB GLN 49 2HB GLN 49 14.052 16.614 -20.794 384 2HB GLN 49 3HB GLN 49 14.896 18.078 -21.258 385 1HG GLN 49 2HG GLN 49 16.047 17.550 -18.793 386 2HG GLN 49 3HG GLN 49 15.729 15.928 -19.374 387 1HE2 GLN 49 1HE2 GLN 49 16.951 19.067 -20.529 388 2HE2 GLN 49 2HE2 GLN 49 18.251 18.455 -21.497 389 H ALA 50 HN ALA 50 12.441 19.054 -17.346 390 HA ALA 50 HA ALA 50 12.885 16.722 -15.787 391 1HB ALA 50 1HB ALA 50 12.621 18.549 -14.428 392 2HB ALA 50 2HB ALA 50 11.480 19.346 -15.537 393 3HB ALA 50 3HB ALA 50 10.920 18.030 -14.476 394 H GLY 51 HN GLY 51 9.595 18.038 -16.031 395 1HA GLY 51 1HA GLY 51 8.149 15.822 -15.886 396 2HA GLY 51 2HA GLY 51 7.695 17.154 -16.931 397 H GLY 52 HN GLY 52 9.943 16.902 -18.818 398 1HA GLY 52 1HA GLY 52 8.836 15.148 -20.675 399 2HA GLY 52 2HA GLY 52 10.443 15.842 -20.734 400 H ASP 53 HN ASP 53 11.650 14.053 -21.385 401 HA ASP 53 HA ASP 53 11.749 11.930 -19.408 402 1HB ASP 53 2HB ASP 53 11.927 10.236 -21.203 403 2HB ASP 53 3HB ASP 53 10.398 11.086 -21.299 404 H ALA 54 HN ALA 54 13.878 12.003 -18.672 405 HA ALA 54 HA ALA 54 15.939 12.746 -20.631 406 1HB ALA 54 1HB ALA 54 16.271 12.871 -17.631 407 2HB ALA 54 2HB ALA 54 17.110 13.799 -18.897 408 3HB ALA 54 3HB ALA 54 15.415 14.170 -18.497 409 H THR 55 HN THR 55 14.659 10.055 -20.215 410 HA THR 55 HA THR 55 16.189 8.370 -18.658 411 HB THR 55 HB THR 55 14.632 8.067 -21.261 412 HG1 THR 55 HG1 THR 55 13.787 8.471 -18.950 413 1HG2 THR 55 1HG2 THR 55 16.582 6.259 -20.733 414 2HG2 THR 55 2HG2 THR 55 15.366 5.683 -19.568 415 3HG2 THR 55 3HG2 THR 55 14.972 5.754 -21.303 416 H GLU 56 HN GLU 56 16.669 8.996 -22.204 417 HA GLU 56 HA GLU 56 19.083 7.627 -22.245 418 1HB GLU 56 2HB GLU 56 18.006 9.797 -24.098 419 2HB GLU 56 3HB GLU 56 19.404 8.804 -24.458 420 1HG GLU 56 2HG GLU 56 17.852 7.443 -25.466 421 2HG GLU 56 3HG GLU 56 17.625 6.831 -23.839 422 H ASN 57 HN ASN 57 18.267 11.118 -21.825 423 HA ASN 57 HA ASN 57 20.831 12.083 -21.953 424 1HB ASN 57 2HB ASN 57 18.223 12.982 -20.775 425 2HB ASN 57 3HB ASN 57 19.644 13.769 -20.117 426 1HD2 ASN 57 1HD2 ASN 57 18.108 12.834 -23.176 427 2HD2 ASN 57 2HD2 ASN 57 18.616 14.200 -24.111 428 H PHE 58 HN PHE 58 19.179 10.145 -19.547 429 HA PHE 58 HA PHE 58 20.977 10.928 -17.414 430 1HB PHE 58 2HB PHE 58 18.779 10.495 -16.619 431 2HB PHE 58 3HB PHE 58 18.468 9.293 -17.856 432 HD1 PHE 58 HD1 PHE 58 19.430 9.848 -14.459 433 HD2 PHE 58 HD2 PHE 58 19.583 7.012 -17.612 434 HE1 PHE 58 HE1 PHE 58 19.874 8.021 -12.796 435 HE2 PHE 58 HE2 PHE 58 20.027 5.186 -15.948 436 HZ PHE 58 HZ PHE 58 20.168 5.713 -13.560 437 H GLU 59 HN GLU 59 20.271 8.145 -19.588 438 HA GLU 59 HA GLU 59 22.188 6.507 -18.288 439 1HB GLU 59 2HB GLU 59 20.588 6.246 -20.861 440 2HB GLU 59 3HB GLU 59 21.767 5.041 -20.383 441 1HG GLU 59 2HG GLU 59 20.400 5.242 -18.037 442 2HG GLU 59 3HG GLU 59 19.119 5.710 -19.136 443 H ASP 60 HN ASP 60 22.078 8.671 -21.136 444 HA ASP 60 HA ASP 60 24.341 7.836 -22.406 445 1HB ASP 60 2HB ASP 60 22.597 9.669 -23.034 446 2HB ASP 60 3HB ASP 60 23.574 10.765 -22.077 447 H VAL 61 HN VAL 61 23.864 10.190 -19.691 448 HA VAL 61 HA VAL 61 26.589 10.934 -19.533 449 HB VAL 61 HB VAL 61 25.944 12.098 -17.565 450 1HG1 VAL 61 1HG1 VAL 61 23.562 12.997 -18.419 451 2HG1 VAL 61 2HG1 VAL 61 25.096 13.405 -19.228 452 3HG1 VAL 61 3HG1 VAL 61 24.064 12.108 -19.878 453 1HG2 VAL 61 1HG2 VAL 61 23.178 11.251 -17.281 454 2HG2 VAL 61 2HG2 VAL 61 24.299 9.886 -17.059 455 3HG2 VAL 61 3HG2 VAL 61 24.470 11.349 -16.060 456 H GLY 62 HN GLY 62 24.839 8.084 -18.674 457 1HA GLY 62 1HA GLY 62 25.419 6.220 -17.563 458 2HA GLY 62 2HA GLY 62 27.089 6.705 -17.786 459 H HIS 63 HN HIS 63 24.231 6.952 -15.640 460 HA HIS 63 HA HIS 63 25.565 8.439 -13.645 461 1HB HIS 63 2HB HIS 63 23.001 6.870 -13.792 462 2HB HIS 63 3HB HIS 63 23.577 7.472 -12.249 463 HD1 HIS 63 HD1 HIS 63 22.983 8.939 -15.754 464 HD2 HIS 63 HD2 HIS 63 22.622 9.962 -11.703 465 HE1 HIS 63 HE1 HIS 63 21.953 11.272 -15.696 466 H SER 64 HN SER 64 26.638 7.767 -11.770 467 HA SER 64 HA SER 64 27.717 5.139 -11.953 468 1HB SER 64 2HB SER 64 28.263 7.631 -10.415 469 2HB SER 64 3HB SER 64 28.655 6.149 -9.567 470 HG SER 64 HG SER 64 30.316 5.792 -10.888 471 H THR 65 HN THR 65 27.915 3.858 -9.725 472 HA THR 65 HA THR 65 25.418 2.934 -9.034 473 HB THR 65 HB THR 65 28.221 2.786 -7.941 474 HG1 THR 65 HG1 THR 65 26.116 0.812 -8.405 475 1HG2 THR 65 1HG2 THR 65 26.716 2.936 -5.883 476 2HG2 THR 65 2HG2 THR 65 25.803 1.552 -6.527 477 3HG2 THR 65 3HG2 THR 65 27.514 1.358 -6.079 478 H ASP 66 HN ASP 66 27.421 5.426 -7.350 479 HA ASP 66 HA ASP 66 26.052 5.817 -5.138 480 1HB ASP 66 2HB ASP 66 27.782 7.356 -6.759 481 2HB ASP 66 3HB ASP 66 26.397 8.399 -6.510 482 H ALA 67 HN ALA 67 25.109 6.891 -8.461 483 HA ALA 67 HA ALA 67 22.833 8.347 -7.670 484 1HB ALA 67 1HB ALA 67 24.144 8.470 -9.858 485 2HB ALA 67 2HB ALA 67 23.310 6.971 -10.336 486 3HB ALA 67 3HB ALA 67 22.371 8.449 -10.015 487 H ARG 68 HN ARG 68 23.344 4.955 -8.836 488 HA ARG 68 HA ARG 68 20.871 4.097 -9.109 489 1HB ARG 68 2HB ARG 68 23.169 2.808 -9.076 490 2HB ARG 68 3HB ARG 68 22.795 2.472 -7.398 491 1HG ARG 68 2HG ARG 68 20.478 1.633 -8.288 492 2HG ARG 68 3HG ARG 68 21.238 1.624 -9.868 493 1HD ARG 68 2HD ARG 68 23.111 0.185 -8.825 494 2HD ARG 68 3HD ARG 68 22.094 0.035 -7.406 495 HE ARG 68 HE ARG 68 20.356 -0.714 -9.374 496 1HH1 ARG 68 1HH1 ARG 68 21.448 -3.900 -10.289 497 2HH1 ARG 68 2HH1 ARG 68 20.109 -2.801 -10.270 498 1HH2 ARG 68 1HH2 ARG 68 23.493 -3.252 -9.403 499 2HH2 ARG 68 2HH2 ARG 68 23.681 -1.670 -8.723 500 H GLU 69 HN GLU 69 22.601 4.482 -5.945 501 HA GLU 69 HA GLU 69 20.523 3.488 -4.395 502 1HB GLU 69 2HB GLU 69 22.972 3.861 -3.737 503 2HB GLU 69 3HB GLU 69 22.583 5.558 -3.532 504 1HG GLU 69 2HG GLU 69 20.606 3.881 -2.168 505 2HG GLU 69 3HG GLU 69 22.225 3.479 -1.632 506 H LEU 70 HN LEU 70 21.500 6.899 -5.182 507 HA LEU 70 HA LEU 70 19.468 8.144 -3.779 508 1HB LEU 70 2HB LEU 70 21.252 8.857 -6.058 509 2HB LEU 70 3HB LEU 70 19.880 9.899 -5.733 510 HG LEU 70 HG LEU 70 20.692 10.557 -3.646 511 1HD1 LEU 70 1HD1 LEU 70 21.223 8.743 -2.381 512 2HD1 LEU 70 2HD1 LEU 70 22.143 7.956 -3.685 513 3HD1 LEU 70 3HD1 LEU 70 22.868 9.298 -2.771 514 1HD2 LEU 70 1HD2 LEU 70 22.692 10.418 -5.811 515 2HD2 LEU 70 2HD2 LEU 70 22.097 11.809 -4.872 516 3HD2 LEU 70 3HD2 LEU 70 23.349 10.745 -4.189 517 H SER 71 HN SER 71 19.560 7.642 -7.382 518 HA SER 71 HA SER 71 17.184 8.368 -8.104 519 1HB SER 71 2HB SER 71 18.560 5.750 -8.820 520 2HB SER 71 3HB SER 71 17.114 6.293 -9.647 521 HG SER 71 HG SER 71 19.728 7.489 -9.613 522 H LYS 72 HN LYS 72 17.751 5.030 -6.752 523 HA LYS 72 HA LYS 72 15.096 4.281 -6.649 524 1HB LYS 72 2HB LYS 72 16.814 2.648 -6.425 525 2HB LYS 72 3HB LYS 72 17.514 3.452 -5.035 526 1HG LYS 72 2HG LYS 72 16.227 2.129 -3.716 527 2HG LYS 72 3HG LYS 72 14.832 3.027 -4.280 528 1HD LYS 72 2HD LYS 72 14.062 1.175 -5.334 529 2HD LYS 72 3HD LYS 72 15.487 1.158 -6.353 530 1HE LYS 72 2HE LYS 72 15.995 -0.825 -5.350 531 2HE LYS 72 3HE LYS 72 16.483 0.131 -3.965 532 1HZ LYS 72 1HZ LYS 72 14.526 -0.285 -2.907 533 2HZ LYS 72 2HZ LYS 72 13.673 -0.554 -4.273 534 3HZ LYS 72 3HZ LYS 72 14.707 -1.691 -3.718 535 H THR 73 HN THR 73 17.144 5.787 -4.056 536 HA THR 73 HA THR 73 15.120 5.962 -2.154 537 HB THR 73 HB THR 73 17.845 7.008 -2.657 538 HG1 THR 73 HG1 THR 73 16.252 6.518 -0.247 539 1HG2 THR 73 1HG2 THR 73 16.640 9.201 -2.294 540 2HG2 THR 73 2HG2 THR 73 15.948 8.534 -0.795 541 3HG2 THR 73 3HG2 THR 73 17.706 8.778 -0.933 542 H TYR 74 HN TYR 74 15.820 7.970 -5.001 543 HA TYR 74 HA TYR 74 13.766 9.860 -4.124 544 1HB TYR 74 2HB TYR 74 15.968 9.690 -6.256 545 2HB TYR 74 3HB TYR 74 14.737 10.932 -6.368 546 HD1 TYR 74 HD1 TYR 74 17.631 9.725 -4.428 547 HD2 TYR 74 HD2 TYR 74 14.714 12.827 -4.845 548 HE1 TYR 74 HE1 TYR 74 18.976 11.210 -2.865 549 HE2 TYR 74 HE2 TYR 74 16.070 14.302 -3.281 550 HH TYR 74 HH TYR 74 18.678 13.053 -1.436 551 H ILE 75 HN ILE 75 12.802 7.268 -4.761 552 HA ILE 75 HA ILE 75 11.548 7.793 -7.367 553 HB ILE 75 HB ILE 75 13.176 5.789 -7.040 554 1HG1 ILE 75 2HG1 ILE 75 10.461 5.273 -8.276 555 2HG1 ILE 75 3HG1 ILE 75 11.660 6.329 -8.997 556 1HG2 ILE 75 1HG2 ILE 75 11.771 5.123 -4.929 557 2HG2 ILE 75 2HG2 ILE 75 10.716 4.341 -6.130 558 3HG2 ILE 75 3HG2 ILE 75 12.428 3.873 -6.013 559 1HD1 ILE 75 1HD1 ILE 75 12.050 4.225 -10.030 560 2HD1 ILE 75 2HD1 ILE 75 13.308 4.322 -8.774 561 3HD1 ILE 75 3HD1 ILE 75 11.850 3.339 -8.499 562 H ILE 76 HN ILE 76 9.299 7.640 -7.502 563 HA ILE 76 HA ILE 76 7.956 7.100 -4.946 564 HB ILE 76 HB ILE 76 6.536 8.923 -5.215 565 1HG1 ILE 76 2HG1 ILE 76 6.268 8.483 -7.739 566 2HG1 ILE 76 3HG1 ILE 76 6.088 10.124 -7.152 567 1HG2 ILE 76 1HG2 ILE 76 9.367 9.679 -5.952 568 2HG2 ILE 76 2HG2 ILE 76 8.108 10.882 -5.584 569 3HG2 ILE 76 3HG2 ILE 76 8.592 9.694 -4.349 570 1HD1 ILE 76 1HD1 ILE 76 7.506 10.341 -9.046 571 2HD1 ILE 76 2HD1 ILE 76 8.627 10.402 -7.665 572 3HD1 ILE 76 3HD1 ILE 76 8.456 8.901 -8.607 573 H GLY 77 HN GLY 77 7.905 7.051 -8.533 574 1HA GLY 77 1HA GLY 77 6.658 4.579 -8.719 575 2HA GLY 77 2HA GLY 77 5.383 5.780 -8.780 576 H GLU 78 HN GLU 78 5.237 4.683 -11.042 577 HA GLU 78 HA GLU 78 7.110 6.033 -12.824 578 1HB GLU 78 2HB GLU 78 6.657 4.258 -14.458 579 2HB GLU 78 3HB GLU 78 7.185 3.553 -12.944 580 1HG GLU 78 2HG GLU 78 4.592 3.440 -12.396 581 2HG GLU 78 3HG GLU 78 4.396 3.612 -14.129 582 H LEU 79 HN LEU 79 6.025 6.433 -15.120 583 HA LEU 79 HA LEU 79 3.421 7.661 -14.560 584 1HB LEU 79 2HB LEU 79 4.121 9.485 -15.585 585 2HB LEU 79 3HB LEU 79 5.736 8.818 -15.446 586 HG LEU 79 HG LEU 79 5.587 9.482 -17.673 587 1HD1 LEU 79 1HD1 LEU 79 5.883 6.791 -17.089 588 2HD1 LEU 79 2HD1 LEU 79 4.742 6.802 -18.454 589 3HD1 LEU 79 3HD1 LEU 79 6.324 7.601 -18.611 590 1HD2 LEU 79 1HD2 LEU 79 3.740 9.490 -19.036 591 2HD2 LEU 79 2HD2 LEU 79 3.011 8.069 -18.250 592 3HD2 LEU 79 3HD2 LEU 79 2.975 9.651 -17.436 593 H HIS 80 HN HIS 80 1.760 7.541 -16.227 594 HA HIS 80 HA HIS 80 1.121 5.119 -17.069 595 1HB HIS 80 2HB HIS 80 0.094 7.607 -17.422 596 2HB HIS 80 3HB HIS 80 0.552 7.234 -19.073 597 HD1 HIS 80 HD1 HIS 80 -1.992 7.118 -19.733 598 HD2 HIS 80 HD2 HIS 80 -0.774 4.249 -16.926 599 HE1 HIS 80 HE1 HIS 80 -3.867 5.391 -19.616 600 HA PRO 81 HA PRO 81 4.348 4.195 -19.905 601 1HB PRO 81 2HB PRO 81 3.919 1.497 -20.007 602 2HB PRO 81 3HB PRO 81 4.934 2.262 -18.800 603 1HG PRO 81 2HG PRO 81 2.209 1.158 -18.500 604 2HG PRO 81 3HG PRO 81 3.386 1.528 -17.255 605 1HD PRO 81 2HD PRO 81 1.074 3.078 -17.945 606 2HD PRO 81 3HD PRO 81 2.313 3.505 -16.782 607 H ASP 82 HN ASP 82 1.022 3.968 -20.234 608 HA ASP 82 HA ASP 82 1.102 2.880 -22.851 609 1HB ASP 82 2HB ASP 82 -0.841 2.991 -21.016 610 2HB ASP 82 3HB ASP 82 -1.204 4.525 -21.784 611 H ASP 83 HN ASP 83 0.860 6.109 -21.267 612 HA ASP 83 HA ASP 83 0.457 7.444 -23.744 613 1HB ASP 83 2HB ASP 83 0.850 8.241 -20.859 614 2HB ASP 83 3HB ASP 83 1.110 9.463 -22.089 615 H ARG 84 HN ARG 84 3.104 6.057 -22.062 616 HA ARG 84 HA ARG 84 5.075 7.944 -22.399 617 1HB ARG 84 2HB ARG 84 4.994 5.529 -21.215 618 2HB ARG 84 3HB ARG 84 5.708 5.004 -22.726 619 1HG ARG 84 2HG ARG 84 6.937 7.450 -21.528 620 2HG ARG 84 3HG ARG 84 7.149 5.980 -20.597 621 1HD ARG 84 2HD ARG 84 7.883 4.885 -22.865 622 2HD ARG 84 3HD ARG 84 8.036 6.528 -23.455 623 HE ARG 84 HE ARG 84 9.454 6.657 -21.116 624 1HH1 ARG 84 1HH1 ARG 84 12.431 5.006 -21.883 625 2HH1 ARG 84 2HH1 ARG 84 11.664 6.150 -20.833 626 1HH2 ARG 84 1HH2 ARG 84 11.214 3.988 -23.576 627 2HH2 ARG 84 2HH2 ARG 84 9.538 4.372 -23.790 628 H SER 85 HN SER 85 3.585 5.612 -24.642 629 HA SER 85 HA SER 85 5.581 5.596 -26.558 630 1HB SER 85 2HB SER 85 3.395 4.154 -26.286 631 2HB SER 85 3HB SER 85 2.635 5.408 -27.245 632 HG SER 85 HG SER 85 4.830 4.888 -28.600 633 H LYS 86 HN LYS 86 2.674 7.701 -26.092 634 HA LYS 86 HA LYS 86 3.554 9.344 -28.335 635 1HB LYS 86 2HB LYS 86 1.112 8.464 -27.851 636 2HB LYS 86 3HB LYS 86 1.044 9.838 -26.766 637 1HG LYS 86 2HG LYS 86 1.748 11.343 -28.652 638 2HG LYS 86 3HG LYS 86 1.772 9.963 -29.732 639 1HD LYS 86 2HD LYS 86 -0.368 10.885 -30.118 640 2HD LYS 86 3HD LYS 86 -0.707 9.583 -28.997 641 1HE LYS 86 2HE LYS 86 -0.925 11.085 -27.133 642 2HE LYS 86 3HE LYS 86 -0.146 12.399 -27.993 643 1HZ LYS 86 1HZ LYS 86 -2.008 12.796 -29.207 644 2HZ LYS 86 2HZ LYS 86 -2.584 11.272 -29.101 645 3HZ LYS 86 3HZ LYS 86 -2.701 12.279 -27.821 646 H ILE 87 HN ILE 87 5.279 9.270 -26.065 647 HA ILE 87 HA ILE 87 4.663 11.705 -24.602 648 HB ILE 87 HB ILE 87 5.629 9.407 -23.724 649 1HG1 ILE 87 2HG1 ILE 87 6.716 10.729 -21.851 650 2HG1 ILE 87 3HG1 ILE 87 6.386 12.181 -22.776 651 1HG2 ILE 87 1HG2 ILE 87 8.092 10.925 -24.610 652 2HG2 ILE 87 2HG2 ILE 87 8.108 9.635 -23.384 653 3HG2 ILE 87 3HG2 ILE 87 7.603 9.272 -25.052 654 1HD1 ILE 87 1HD1 ILE 87 3.949 10.727 -22.801 655 2HD1 ILE 87 2HD1 ILE 87 4.568 10.604 -21.136 656 3HD1 ILE 87 3HD1 ILE 87 4.309 12.203 -21.874 657 H ALA 88 HN ALA 88 6.798 10.413 -27.147 658 HA ALA 88 HA ALA 88 8.798 12.211 -27.250 659 1HB ALA 88 1HB ALA 88 9.129 10.945 -29.075 660 2HB ALA 88 2HB ALA 88 7.428 10.419 -29.061 661 3HB ALA 88 3HB ALA 88 7.893 11.905 -29.922 662 HHA HEM 95 HA HEM 95 27.064 12.922 -13.020 663 HHB HEM 95 HB HEM 95 22.936 11.031 -8.602 664 HHC HEM 95 HC HEM 95 18.133 12.682 -12.460 665 HHD HEM 95 HD HEM 95 22.314 14.612 -16.808 666 1HMA HEM 95 1HMA HEM 95 25.835 11.413 -7.620 667 2HMA HEM 95 2HMA HEM 95 26.420 9.925 -8.466 668 3HMA HEM 95 3HMA HEM 95 24.693 10.057 -8.014 669 1HAA HEM 95 1HAA HEM 95 27.680 10.381 -11.437 670 2HAA HEM 95 2HAA HEM 95 27.940 10.896 -9.671 671 1HBA HEM 95 1HBA HEM 95 28.807 12.809 -11.622 672 2HBA HEM 95 2HBA HEM 95 29.788 11.393 -11.101 673 1HMB HEM 95 1HMB HEM 95 20.181 11.653 -7.179 674 2HMB HEM 95 2HMB HEM 95 21.213 10.273 -7.743 675 3HMB HEM 95 3HMB HEM 95 19.440 10.142 -7.863 676 HAB HEM 95 HAB HEM 95 17.484 12.554 -9.715 677 1HBB HEM 95 HBB HEM 95 17.576 9.468 -9.712 678 2HBB HEM 95 HBB HEM 95 16.108 10.618 -9.489 679 1HMC HEM 95 1HMC HEM 95 17.038 14.341 -14.588 680 2HMC HEM 95 2HMC HEM 95 17.221 12.552 -14.365 681 3HMC HEM 95 3HMC HEM 95 17.312 13.259 -16.007 682 HAC HEM 95 HAC HEM 95 20.539 14.633 -17.704 683 1HBC HEM 95 HBC HEM 95 17.779 15.441 -16.578 684 2HBC HEM 95 HBC HEM 95 18.475 15.765 -18.292 685 1HMD HEM 95 1HMD HEM 95 24.739 16.263 -16.914 686 2HMD HEM 95 2HMD HEM 95 24.454 14.763 -17.892 687 3HMD HEM 95 3HMD HEM 95 26.132 15.242 -17.434 688 1HAD HEM 95 1HAD HEM 95 27.900 14.284 -14.205 689 2HAD HEM 95 2HAD HEM 95 27.604 15.168 -15.727 690 1HBD HEM 95 1HBD HEM 95 28.520 13.474 -16.976 691 2HBD HEM 95 2HBD HEM 95 27.481 12.248 -16.228 Start of MODEL 17 1 H VAL 4 HN VAL 4 2.414 -0.893 -8.490 2 HA VAL 4 HA VAL 4 4.099 1.241 -7.449 3 HB VAL 4 HB VAL 4 4.574 -0.423 -9.425 4 1HG1 VAL 4 1HG1 VAL 4 3.102 1.804 -10.874 5 2HG1 VAL 4 2HG1 VAL 4 3.971 0.439 -11.616 6 3HG1 VAL 4 3HG1 VAL 4 2.498 0.143 -10.661 7 1HG2 VAL 4 1HG2 VAL 4 5.351 2.254 -10.332 8 2HG2 VAL 4 2HG2 VAL 4 5.627 1.999 -8.592 9 3HG2 VAL 4 3HG2 VAL 4 6.356 0.893 -9.780 10 H LYS 5 HN LYS 5 3.835 3.431 -8.697 11 HA LYS 5 HA LYS 5 0.954 4.003 -8.770 12 1HB LYS 5 2HB LYS 5 3.195 5.286 -7.386 13 2HB LYS 5 3HB LYS 5 2.262 6.416 -8.346 14 1HG LYS 5 2HG LYS 5 0.760 4.424 -6.647 15 2HG LYS 5 3HG LYS 5 1.539 5.770 -5.840 16 1HD LYS 5 2HD LYS 5 -0.573 6.676 -6.309 17 2HD LYS 5 3HD LYS 5 0.360 7.252 -7.676 18 1HE LYS 5 2HE LYS 5 -0.473 5.403 -9.085 19 2HE LYS 5 3HE LYS 5 -1.304 4.689 -7.717 20 1HZ LYS 5 1HZ LYS 5 -2.215 7.223 -7.764 21 2HZ LYS 5 2HZ LYS 5 -2.098 6.864 -9.353 22 3HZ LYS 5 3HZ LYS 5 -3.000 5.924 -8.368 23 H TYR 6 HN TYR 6 0.139 4.528 -10.722 24 HA TYR 6 HA TYR 6 2.062 5.214 -12.818 25 1HB TYR 6 2HB TYR 6 -0.911 4.399 -12.752 26 2HB TYR 6 3HB TYR 6 -0.003 4.641 -14.232 27 HD1 TYR 6 HD1 TYR 6 2.496 3.268 -13.869 28 HD2 TYR 6 HD2 TYR 6 -1.389 2.149 -12.467 29 HE1 TYR 6 HE1 TYR 6 3.207 0.827 -13.827 30 HE2 TYR 6 HE2 TYR 6 -0.664 -0.288 -12.430 31 HH TYR 6 HH TYR 6 2.322 -1.278 -12.354 32 H TYR 7 HN TYR 7 2.422 7.394 -12.928 33 HA TYR 7 HA TYR 7 0.174 9.181 -12.434 34 1HB TYR 7 2HB TYR 7 3.108 9.751 -13.159 35 2HB TYR 7 3HB TYR 7 2.011 10.841 -12.333 36 HD1 TYR 7 HD1 TYR 7 4.809 8.980 -11.797 37 HD2 TYR 7 HD2 TYR 7 0.910 9.502 -10.114 38 HE1 TYR 7 HE1 TYR 7 5.658 8.143 -9.552 39 HE2 TYR 7 HE2 TYR 7 1.773 8.663 -7.874 40 HH TYR 7 HH TYR 7 4.364 8.697 -6.818 41 H THR 8 HN THR 8 -0.465 10.827 -13.946 42 HA THR 8 HA THR 8 -0.310 9.922 -16.670 43 HB THR 8 HB THR 8 -1.764 12.105 -16.887 44 HG1 THR 8 HG1 THR 8 -2.149 11.727 -14.082 45 1HG2 THR 8 1HG2 THR 8 -2.769 9.785 -16.664 46 2HG2 THR 8 2HG2 THR 8 -2.680 9.967 -14.895 47 3HG2 THR 8 3HG2 THR 8 -3.730 11.041 -15.849 48 H LEU 9 HN LEU 9 0.532 11.051 -18.472 49 HA LEU 9 HA LEU 9 3.059 12.085 -18.090 50 1HB LEU 9 2HB LEU 9 3.159 12.086 -20.316 51 2HB LEU 9 3HB LEU 9 1.650 11.204 -20.188 52 HG LEU 9 HG LEU 9 1.786 14.206 -20.553 53 1HD1 LEU 9 1HD1 LEU 9 2.396 12.145 -22.457 54 2HD1 LEU 9 2HD1 LEU 9 0.895 12.975 -22.933 55 3HD1 LEU 9 3HD1 LEU 9 2.384 13.913 -22.666 56 1HD2 LEU 9 1HD2 LEU 9 -0.300 13.001 -19.599 57 2HD2 LEU 9 2HD2 LEU 9 -0.503 14.171 -20.925 58 3HD2 LEU 9 3HD2 LEU 9 -0.528 12.424 -21.267 59 H GLU 10 HN GLU 10 -0.043 13.550 -17.567 60 HA GLU 10 HA GLU 10 0.762 16.198 -18.075 61 1HB GLU 10 2HB GLU 10 -1.645 14.902 -17.586 62 2HB GLU 10 3HB GLU 10 -1.416 15.808 -16.104 63 1HG GLU 10 2HG GLU 10 -0.783 17.784 -17.816 64 2HG GLU 10 3HG GLU 10 -1.748 16.830 -18.924 65 H GLU 11 HN GLU 11 0.720 14.039 -15.206 66 HA GLU 11 HA GLU 11 1.101 15.834 -13.229 67 1HB GLU 11 2HB GLU 11 1.262 13.055 -13.517 68 2HB GLU 11 3HB GLU 11 2.864 13.485 -12.951 69 1HG GLU 11 2HG GLU 11 1.955 13.508 -10.863 70 2HG GLU 11 3HG GLU 11 1.249 15.047 -11.314 71 H ILE 12 HN ILE 12 3.869 14.002 -14.727 72 HA ILE 12 HA ILE 12 5.953 15.287 -13.748 73 HB ILE 12 HB ILE 12 6.638 15.160 -16.422 74 1HG1 ILE 12 2HG1 ILE 12 4.137 14.251 -16.562 75 2HG1 ILE 12 3HG1 ILE 12 5.430 13.615 -17.561 76 1HG2 ILE 12 1HG2 ILE 12 6.660 12.971 -14.327 77 2HG2 ILE 12 2HG2 ILE 12 7.631 12.996 -15.818 78 3HG2 ILE 12 3HG2 ILE 12 7.898 14.228 -14.560 79 1HD1 ILE 12 1HD1 ILE 12 4.874 12.401 -14.837 80 2HD1 ILE 12 2HD1 ILE 12 3.916 11.926 -16.260 81 3HD1 ILE 12 3HD1 ILE 12 5.676 11.662 -16.244 82 H GLN 13 HN GLN 13 4.166 16.517 -16.667 83 HA GLN 13 HA GLN 13 5.521 18.774 -17.081 84 1HB GLN 13 2HB GLN 13 2.488 18.451 -17.154 85 2HB GLN 13 3HB GLN 13 3.371 19.743 -17.945 86 1HG GLN 13 2HG GLN 13 4.471 17.085 -18.604 87 2HG GLN 13 3HG GLN 13 2.779 17.224 -19.041 88 1HE2 GLN 13 1HE2 GLN 13 2.850 17.443 -21.171 89 2HE2 GLN 13 2HE2 GLN 13 3.668 18.695 -22.045 90 H LYS 14 HN LYS 14 2.766 18.399 -14.741 91 HA LYS 14 HA LYS 14 2.731 20.986 -13.809 92 1HB LYS 14 2HB LYS 14 2.170 18.468 -12.216 93 2HB LYS 14 3HB LYS 14 1.582 20.080 -11.865 94 1HG LYS 14 2HG LYS 14 0.843 18.282 -14.201 95 2HG LYS 14 3HG LYS 14 -0.221 18.988 -13.001 96 1HD LYS 14 2HD LYS 14 0.351 21.284 -13.913 97 2HD LYS 14 3HD LYS 14 1.299 20.512 -15.169 98 1HE LYS 14 2HE LYS 14 -0.577 19.697 -16.292 99 2HE LYS 14 3HE LYS 14 -1.527 19.544 -14.827 100 1HZ LYS 14 1HZ LYS 14 -0.806 22.233 -15.452 101 2HZ LYS 14 2HZ LYS 14 -1.753 21.534 -16.584 102 3HZ LYS 14 3HZ LYS 14 -2.259 21.615 -15.034 103 H HIS 15 HN HIS 15 4.921 18.268 -13.029 104 HA HIS 15 HA HIS 15 6.201 19.891 -10.997 105 1HB HIS 15 2HB HIS 15 7.190 17.184 -11.809 106 2HB HIS 15 3HB HIS 15 7.203 17.953 -10.234 107 HD1 HIS 15 HD1 HIS 15 4.391 18.496 -9.515 108 HD2 HIS 15 HD2 HIS 15 5.449 15.099 -11.737 109 HE1 HIS 15 HE1 HIS 15 2.494 16.817 -9.203 110 H LYS 16 HN LYS 16 6.550 21.396 -13.076 111 HA LYS 16 HA LYS 16 9.089 20.579 -14.304 112 1HB LYS 16 2HB LYS 16 6.699 22.028 -15.312 113 2HB LYS 16 3HB LYS 16 8.250 22.655 -15.832 114 1HG LYS 16 2HG LYS 16 8.911 20.327 -16.559 115 2HG LYS 16 3HG LYS 16 7.315 19.759 -16.110 116 1HD LYS 16 2HD LYS 16 6.429 20.492 -18.067 117 2HD LYS 16 3HD LYS 16 7.048 22.110 -17.803 118 1HE LYS 16 2HE LYS 16 9.377 20.968 -18.514 119 2HE LYS 16 3HE LYS 16 8.318 19.811 -19.293 120 1HZ LYS 16 1HZ LYS 16 7.227 21.697 -20.380 121 2HZ LYS 16 2HZ LYS 16 8.325 22.715 -19.726 122 3HZ LYS 16 3HZ LYS 16 8.804 21.569 -20.786 123 H ASP 17 HN ASP 17 8.299 21.922 -11.575 124 HA ASP 17 HA ASP 17 10.076 24.202 -11.966 125 1HB ASP 17 2HB ASP 17 7.572 23.843 -10.327 126 2HB ASP 17 3HB ASP 17 8.833 24.858 -9.654 127 H SER 18 HN SER 18 11.157 24.781 -9.676 128 HA SER 18 HA SER 18 12.637 22.588 -8.907 129 1HB SER 18 2HB SER 18 12.541 25.398 -8.344 130 2HB SER 18 3HB SER 18 12.592 24.573 -6.799 131 HG SER 18 HG SER 18 14.520 23.513 -7.405 132 H LYS 19 HN LYS 19 9.767 24.193 -7.410 133 HA LYS 19 HA LYS 19 9.690 22.880 -5.016 134 1HB LYS 19 2HB LYS 19 7.197 23.245 -5.172 135 2HB LYS 19 3HB LYS 19 8.194 24.667 -5.403 136 1HG LYS 19 2HG LYS 19 7.143 25.009 -7.381 137 2HG LYS 19 3HG LYS 19 7.934 23.572 -7.997 138 1HD LYS 19 2HD LYS 19 6.025 22.311 -7.877 139 2HD LYS 19 3HD LYS 19 5.580 22.955 -6.309 140 1HE LYS 19 2HE LYS 19 5.371 24.974 -8.462 141 2HE LYS 19 3HE LYS 19 4.350 23.579 -8.748 142 1HZ LYS 19 1HZ LYS 19 4.288 24.515 -6.052 143 2HZ LYS 19 2HZ LYS 19 3.736 25.608 -7.133 144 3HZ LYS 19 3HZ LYS 19 3.053 24.126 -7.048 145 H SER 20 HN SER 20 8.605 21.747 -8.258 146 HA SER 20 HA SER 20 8.617 19.075 -7.128 147 1HB SER 20 2HB SER 20 6.419 20.154 -8.949 148 2HB SER 20 3HB SER 20 6.547 18.501 -8.382 149 HG SER 20 HG SER 20 6.608 20.448 -6.344 150 H THR 21 HN THR 21 10.506 18.436 -8.201 151 HA THR 21 HA THR 21 10.514 18.799 -11.124 152 HB THR 21 HB THR 21 12.667 18.706 -8.977 153 HG1 THR 21 HG1 THR 21 13.224 20.600 -10.435 154 1HG2 THR 21 1HG2 THR 21 13.380 18.762 -11.911 155 2HG2 THR 21 2HG2 THR 21 14.364 18.236 -10.524 156 3HG2 THR 21 3HG2 THR 21 13.087 17.173 -11.163 157 H TRP 22 HN TRP 22 9.881 17.074 -12.243 158 HA TRP 22 HA TRP 22 10.587 14.451 -11.113 159 1HB TRP 22 2HB TRP 22 8.064 15.475 -12.313 160 2HB TRP 22 3HB TRP 22 8.532 13.831 -12.701 161 HD1 TRP 22 HD1 TRP 22 9.453 14.991 -9.190 162 HE1 TRP 22 HE1 TRP 22 7.955 13.839 -7.348 163 HE3 TRP 22 HE3 TRP 22 6.132 12.922 -12.437 164 HZ2 TRP 22 HZ2 TRP 22 5.603 12.227 -7.454 165 HZ3 TRP 22 HZ3 TRP 22 4.264 11.573 -11.486 166 HH2 TRP 22 HH2 TRP 22 3.970 11.211 -9.086 167 H VAL 23 HN VAL 23 10.951 12.765 -12.856 168 HA VAL 23 HA VAL 23 11.435 13.707 -15.509 169 HB VAL 23 HB VAL 23 13.408 14.601 -14.438 170 1HG1 VAL 23 1HG1 VAL 23 14.119 11.787 -13.563 171 2HG1 VAL 23 2HG1 VAL 23 14.981 13.300 -13.191 172 3HG1 VAL 23 3HG1 VAL 23 13.372 12.996 -12.492 173 1HG2 VAL 23 1HG2 VAL 23 14.823 12.387 -15.666 174 2HG2 VAL 23 2HG2 VAL 23 13.389 12.835 -16.622 175 3HG2 VAL 23 3HG2 VAL 23 14.619 14.062 -16.235 176 H ILE 24 HN ILE 24 10.702 12.052 -16.727 177 HA ILE 24 HA ILE 24 10.281 9.500 -15.600 178 HB ILE 24 HB ILE 24 10.189 10.461 -18.462 179 1HG1 ILE 24 2HG1 ILE 24 7.767 9.965 -16.773 180 2HG1 ILE 24 3HG1 ILE 24 8.666 11.448 -16.522 181 1HG2 ILE 24 1HG2 ILE 24 10.431 8.050 -18.401 182 2HG2 ILE 24 2HG2 ILE 24 9.113 7.918 -17.212 183 3HG2 ILE 24 3HG2 ILE 24 8.768 8.486 -18.863 184 1HD1 ILE 24 1HD1 ILE 24 8.310 10.906 -19.384 185 2HD1 ILE 24 2HD1 ILE 24 6.751 10.980 -18.526 186 3HD1 ILE 24 3HD1 ILE 24 7.877 12.357 -18.447 187 H LEU 25 HN LEU 25 11.703 7.882 -15.278 188 HA LEU 25 HA LEU 25 14.007 7.768 -17.089 189 1HB LEU 25 2HB LEU 25 13.961 8.155 -14.194 190 2HB LEU 25 3HB LEU 25 14.927 6.776 -14.680 191 HG LEU 25 HG LEU 25 16.396 8.106 -15.974 192 1HD1 LEU 25 1HD1 LEU 25 15.856 10.702 -16.024 193 2HD1 LEU 25 2HD1 LEU 25 15.227 9.584 -17.257 194 3HD1 LEU 25 3HD1 LEU 25 14.182 10.107 -15.914 195 1HD2 LEU 25 1HD2 LEU 25 15.735 9.688 -13.474 196 2HD2 LEU 25 2HD2 LEU 25 16.749 8.227 -13.547 197 3HD2 LEU 25 3HD2 LEU 25 17.272 9.716 -14.371 198 H HIS 26 HN HIS 26 14.144 5.849 -18.120 199 HA HIS 26 HA HIS 26 13.403 3.846 -18.763 200 1HB HIS 26 2HB HIS 26 13.953 2.175 -16.679 201 2HB HIS 26 3HB HIS 26 15.131 2.786 -17.824 202 HD1 HIS 26 HD1 HIS 26 16.323 5.175 -17.009 203 HD2 HIS 26 HD2 HIS 26 14.545 2.763 -14.073 204 HE1 HIS 26 HE1 HIS 26 17.312 5.919 -14.778 205 H HIS 27 HN HIS 27 11.130 5.146 -18.335 206 HA HIS 27 HA HIS 27 9.008 4.970 -17.805 207 1HB HIS 27 2HB HIS 27 9.826 2.070 -17.724 208 2HB HIS 27 3HB HIS 27 8.177 2.546 -17.368 209 HD1 HIS 27 HD1 HIS 27 6.810 3.716 -19.348 210 HD2 HIS 27 HD2 HIS 27 10.520 2.081 -20.424 211 HE1 HIS 27 HE1 HIS 27 6.813 3.563 -21.895 212 H LYS 28 HN LYS 28 10.402 6.074 -15.787 213 HA LYS 28 HA LYS 28 8.823 5.462 -13.543 214 1HB LYS 28 2HB LYS 28 11.005 3.741 -13.787 215 2HB LYS 28 3HB LYS 28 11.555 4.951 -12.646 216 1HG LYS 28 2HG LYS 28 10.326 3.945 -11.032 217 2HG LYS 28 3HG LYS 28 8.868 4.385 -11.898 218 1HD LYS 28 2HD LYS 28 8.674 2.041 -11.754 219 2HD LYS 28 3HD LYS 28 9.336 2.261 -13.361 220 1HE LYS 28 2HE LYS 28 11.680 2.004 -12.250 221 2HE LYS 28 3HE LYS 28 10.820 1.420 -10.839 222 1HZ LYS 28 1HZ LYS 28 10.246 0.262 -13.451 223 2HZ LYS 28 2HZ LYS 28 11.566 -0.225 -12.622 224 3HZ LYS 28 3HZ LYS 28 10.080 -0.408 -11.971 225 H VAL 29 HN VAL 29 8.388 7.533 -13.008 226 HA VAL 29 HA VAL 29 10.184 9.630 -13.604 227 HB VAL 29 HB VAL 29 8.550 11.036 -12.587 228 1HG1 VAL 29 1HG1 VAL 29 6.665 9.009 -13.651 229 2HG1 VAL 29 2HG1 VAL 29 6.927 10.702 -14.132 230 3HG1 VAL 29 3HG1 VAL 29 8.031 9.430 -14.711 231 1HG2 VAL 29 1HG2 VAL 29 6.925 8.733 -11.557 232 2HG2 VAL 29 2HG2 VAL 29 8.294 9.333 -10.590 233 3HG2 VAL 29 3HG2 VAL 29 6.963 10.431 -11.026 234 H TYR 30 HN TYR 30 11.555 10.840 -12.257 235 HA TYR 30 HA TYR 30 12.063 9.583 -9.643 236 1HB TYR 30 2HB TYR 30 13.729 10.754 -11.914 237 2HB TYR 30 3HB TYR 30 14.375 10.881 -10.290 238 HD1 TYR 30 HD1 TYR 30 12.403 7.949 -10.512 239 HD2 TYR 30 HD2 TYR 30 16.237 9.523 -11.578 240 HE1 TYR 30 HE1 TYR 30 13.330 5.588 -10.695 241 HE2 TYR 30 HE2 TYR 30 17.149 7.156 -11.757 242 HH TYR 30 HH TYR 30 15.323 4.432 -10.655 243 H ASP 31 HN ASP 31 11.061 10.871 -8.143 244 HA ASP 31 HA ASP 31 10.756 13.628 -8.568 245 1HB ASP 31 2HB ASP 31 9.832 13.650 -6.296 246 2HB ASP 31 3HB ASP 31 9.227 12.250 -7.158 247 H LEU 32 HN LEU 32 13.126 14.138 -8.984 248 HA LEU 32 HA LEU 32 14.804 14.004 -6.606 249 1HB LEU 32 2HB LEU 32 16.634 14.342 -8.022 250 2HB LEU 32 3HB LEU 32 15.594 13.186 -8.830 251 HG LEU 32 HG LEU 32 14.885 15.821 -9.722 252 1HD1 LEU 32 1HD1 LEU 32 17.641 15.433 -10.652 253 2HD1 LEU 32 2HD1 LEU 32 16.781 16.917 -10.173 254 3HD1 LEU 32 3HD1 LEU 32 17.512 15.871 -8.932 255 1HD2 LEU 32 1HD2 LEU 32 15.958 13.296 -10.948 256 2HD2 LEU 32 2HD2 LEU 32 14.367 14.070 -11.143 257 3HD2 LEU 32 3HD2 LEU 32 15.803 14.779 -11.920 258 H THR 33 HN THR 33 12.599 15.684 -6.286 259 HA THR 33 HA THR 33 13.144 18.346 -7.072 260 HB THR 33 HB THR 33 11.422 17.153 -4.835 261 HG1 THR 33 HG1 THR 33 11.126 16.559 -7.204 262 1HG2 THR 33 1HG2 THR 33 10.647 19.656 -6.271 263 2HG2 THR 33 2HG2 THR 33 10.440 19.229 -4.555 264 3HG2 THR 33 3HG2 THR 33 12.009 19.834 -5.139 265 H LYS 34 HN LYS 34 13.819 16.483 -4.053 266 HA LYS 34 HA LYS 34 14.979 18.718 -2.761 267 1HB LYS 34 2HB LYS 34 14.012 16.912 -1.482 268 2HB LYS 34 3HB LYS 34 15.091 15.740 -2.213 269 1HG LYS 34 2HG LYS 34 16.790 17.774 -1.182 270 2HG LYS 34 3HG LYS 34 15.572 17.525 0.053 271 1HD LYS 34 2HD LYS 34 16.829 15.091 -1.219 272 2HD LYS 34 3HD LYS 34 17.777 16.001 -0.059 273 1HE LYS 34 2HE LYS 34 14.931 15.259 0.656 274 2HE LYS 34 3HE LYS 34 16.170 14.022 0.742 275 1HZ LYS 34 1HZ LYS 34 15.943 16.474 2.284 276 2HZ LYS 34 2HZ LYS 34 16.282 14.960 2.793 277 3HZ LYS 34 3HZ LYS 34 17.428 15.842 2.036 278 H TYR 35 HN TYR 35 16.234 15.970 -4.723 279 HA TYR 35 HA TYR 35 18.940 16.972 -4.413 280 1HB TYR 35 2HB TYR 35 18.346 14.518 -4.375 281 2HB TYR 35 3HB TYR 35 17.570 14.671 -5.939 282 HD1 TYR 35 HD1 TYR 35 18.804 14.408 -7.942 283 HD2 TYR 35 HD2 TYR 35 20.876 14.894 -4.231 284 HE1 TYR 35 HE1 TYR 35 20.999 13.819 -9.082 285 HE2 TYR 35 HE2 TYR 35 23.064 14.303 -5.383 286 HH TYR 35 HH TYR 35 23.453 12.742 -7.814 287 H LEU 36 HN LEU 36 16.716 18.509 -5.877 288 HA LEU 36 HA LEU 36 17.422 18.337 -8.635 289 1HB LEU 36 2HB LEU 36 15.215 18.950 -8.145 290 2HB LEU 36 3HB LEU 36 15.706 20.158 -6.974 291 HG LEU 36 HG LEU 36 14.812 21.067 -9.125 292 1HD1 LEU 36 1HD1 LEU 36 16.903 21.978 -7.541 293 2HD1 LEU 36 2HD1 LEU 36 17.499 22.184 -9.205 294 3HD1 LEU 36 3HD1 LEU 36 15.959 22.929 -8.712 295 1HD2 LEU 36 1HD2 LEU 36 17.111 19.515 -10.209 296 2HD2 LEU 36 2HD2 LEU 36 15.504 19.837 -10.905 297 3HD2 LEU 36 3HD2 LEU 36 16.761 21.097 -10.946 298 H GLU 37 HN GLU 37 18.127 20.606 -5.905 299 HA GLU 37 HA GLU 37 19.960 22.007 -7.628 300 1HB GLU 37 2HB GLU 37 18.844 22.473 -4.854 301 2HB GLU 37 3HB GLU 37 20.278 23.341 -5.366 302 1HG GLU 37 2HG GLU 37 18.717 23.743 -7.569 303 2HG GLU 37 3HG GLU 37 17.458 23.572 -6.361 304 H GLU 38 HN GLU 38 19.987 19.256 -5.646 305 HA GLU 38 HA GLU 38 22.613 19.686 -4.595 306 1HB GLU 38 2HB GLU 38 20.549 18.268 -3.639 307 2HB GLU 38 3HB GLU 38 21.276 16.986 -4.587 308 1HG GLU 38 2HG GLU 38 23.307 18.463 -3.058 309 2HG GLU 38 3HG GLU 38 22.058 17.828 -2.006 310 H HIS 39 HN HIS 39 21.110 18.378 -7.472 311 HA HIS 39 HA HIS 39 22.862 16.436 -8.241 312 1HB HIS 39 2HB HIS 39 20.707 17.269 -9.344 313 2HB HIS 39 3HB HIS 39 21.693 18.484 -10.134 314 HD1 HIS 39 HD1 HIS 39 21.708 17.669 -12.520 315 HD2 HIS 39 HD2 HIS 39 22.672 14.642 -9.780 316 HE1 HIS 39 HE1 HIS 39 22.414 15.647 -13.907 317 HA PRO 40 HA PRO 40 26.574 18.674 -8.681 318 1HB PRO 40 2HB PRO 40 28.167 16.603 -9.485 319 2HB PRO 40 3HB PRO 40 27.811 16.941 -7.803 320 1HG PRO 40 2HG PRO 40 26.735 14.796 -9.529 321 2HG PRO 40 3HG PRO 40 26.732 14.903 -7.780 322 1HD PRO 40 2HD PRO 40 24.512 15.382 -9.532 323 2HD PRO 40 3HD PRO 40 24.541 15.599 -7.793 324 H GLY 41 HN GLY 41 25.166 16.765 -11.201 325 1HA GLY 41 1HA GLY 41 26.836 17.651 -13.296 326 2HA GLY 41 2HA GLY 41 25.227 16.971 -13.440 327 H GLY 42 HN GLY 42 23.374 18.563 -12.643 328 1HA GLY 42 1HA GLY 42 23.846 21.353 -12.794 329 2HA GLY 42 2HA GLY 42 23.319 20.750 -14.352 330 H GLU 43 HN GLU 43 21.906 22.545 -12.409 331 HA GLU 43 HA GLU 43 19.793 20.865 -11.425 332 1HB GLU 43 2HB GLU 43 18.921 22.943 -10.417 333 2HB GLU 43 3HB GLU 43 20.617 22.728 -10.030 334 1HG GLU 43 2HG GLU 43 20.768 24.162 -12.403 335 2HG GLU 43 3HG GLU 43 19.306 24.818 -11.692 336 H GLU 44 HN GLU 44 20.596 22.708 -14.262 337 HA GLU 44 HA GLU 44 17.865 23.186 -14.967 338 1HB GLU 44 2HB GLU 44 20.468 23.583 -16.506 339 2HB GLU 44 3HB GLU 44 18.892 24.060 -17.105 340 1HG GLU 44 2HG GLU 44 19.194 25.086 -14.413 341 2HG GLU 44 3HG GLU 44 20.625 25.512 -15.330 342 H VAL 45 HN VAL 45 20.626 21.188 -16.234 343 HA VAL 45 HA VAL 45 19.475 19.933 -18.299 344 HB VAL 45 HB VAL 45 21.640 19.334 -17.949 345 1HG1 VAL 45 1HG1 VAL 45 22.272 18.299 -15.564 346 2HG1 VAL 45 2HG1 VAL 45 22.291 20.051 -15.880 347 3HG1 VAL 45 3HG1 VAL 45 20.897 19.310 -15.058 348 1HG2 VAL 45 1HG2 VAL 45 20.633 16.911 -16.507 349 2HG2 VAL 45 2HG2 VAL 45 19.964 17.281 -18.115 350 3HG2 VAL 45 3HG2 VAL 45 21.716 17.038 -17.914 351 H LEU 46 HN LEU 46 18.612 19.620 -14.882 352 HA LEU 46 HA LEU 46 16.998 17.276 -15.393 353 1HB LEU 46 2HB LEU 46 16.963 18.849 -12.847 354 2HB LEU 46 3HB LEU 46 16.725 17.131 -13.103 355 HG LEU 46 HG LEU 46 19.412 18.335 -13.689 356 1HD1 LEU 46 1HD1 LEU 46 18.540 17.504 -10.910 357 2HD1 LEU 46 2HD1 LEU 46 20.132 18.127 -11.410 358 3HD1 LEU 46 3HD1 LEU 46 18.705 19.191 -11.456 359 1HD2 LEU 46 1HD2 LEU 46 18.267 15.643 -13.179 360 2HD2 LEU 46 2HD2 LEU 46 19.570 16.156 -14.277 361 3HD2 LEU 46 3HD2 LEU 46 19.897 15.959 -12.539 362 H ARG 47 HN ARG 47 16.419 20.652 -14.164 363 HA ARG 47 HA ARG 47 13.689 20.479 -14.362 364 1HB ARG 47 2HB ARG 47 15.579 22.874 -14.533 365 2HB ARG 47 3HB ARG 47 13.838 23.060 -14.463 366 1HG ARG 47 2HG ARG 47 14.400 21.263 -12.367 367 2HG ARG 47 3HG ARG 47 15.734 22.398 -12.306 368 1HD ARG 47 2HD ARG 47 13.452 24.024 -12.720 369 2HD ARG 47 3HD ARG 47 12.919 22.808 -11.575 370 HE ARG 47 HE ARG 47 14.296 23.779 -9.957 371 1HH1 ARG 47 1HH1 ARG 47 16.847 26.146 -10.232 372 2HH1 ARG 47 2HH1 ARG 47 15.855 25.237 -9.140 373 1HH2 ARG 47 1HH2 ARG 47 16.590 25.885 -12.523 374 2HH2 ARG 47 2HH2 ARG 47 15.408 24.780 -13.142 375 H GLU 48 HN GLU 48 16.067 22.044 -16.639 376 HA GLU 48 HA GLU 48 14.552 22.995 -18.535 377 1HB GLU 48 2HB GLU 48 17.068 22.780 -18.567 378 2HB GLU 48 3HB GLU 48 16.891 21.130 -19.130 379 1HG GLU 48 2HG GLU 48 16.358 21.777 -21.263 380 2HG GLU 48 3HG GLU 48 15.309 23.071 -20.715 381 H GLN 49 HN GLN 49 15.192 19.467 -18.085 382 HA GLN 49 HA GLN 49 12.856 19.007 -19.758 383 1HB GLN 49 2HB GLN 49 13.994 16.960 -20.675 384 2HB GLN 49 3HB GLN 49 14.755 18.461 -21.163 385 1HG GLN 49 2HG GLN 49 16.046 17.824 -18.744 386 2HG GLN 49 3HG GLN 49 15.839 16.267 -19.521 387 1HE2 GLN 49 1HE2 GLN 49 18.288 17.609 -19.040 388 2HE2 GLN 49 2HE2 GLN 49 19.055 17.943 -20.557 389 H ALA 50 HN ALA 50 12.566 19.241 -17.052 390 HA ALA 50 HA ALA 50 13.045 16.831 -15.650 391 1HB ALA 50 1HB ALA 50 12.826 18.630 -14.224 392 2HB ALA 50 2HB ALA 50 11.567 19.403 -15.216 393 3HB ALA 50 3HB ALA 50 11.155 18.020 -14.175 394 H GLY 51 HN GLY 51 9.737 18.119 -15.707 395 1HA GLY 51 1HA GLY 51 8.338 15.856 -15.658 396 2HA GLY 51 2HA GLY 51 7.808 17.263 -16.557 397 H GLY 52 HN GLY 52 10.072 17.153 -18.516 398 1HA GLY 52 1HA GLY 52 8.869 15.599 -20.500 399 2HA GLY 52 2HA GLY 52 10.485 16.278 -20.543 400 H ASP 53 HN ASP 53 11.658 14.546 -21.376 401 HA ASP 53 HA ASP 53 11.671 12.196 -19.658 402 1HB ASP 53 2HB ASP 53 10.511 11.538 -21.685 403 2HB ASP 53 3HB ASP 53 11.686 12.350 -22.699 404 H ALA 54 HN ALA 54 13.735 12.094 -18.761 405 HA ALA 54 HA ALA 54 15.956 13.058 -20.430 406 1HB ALA 54 1HB ALA 54 15.996 12.925 -17.409 407 2HB ALA 54 2HB ALA 54 16.977 13.930 -18.502 408 3HB ALA 54 3HB ALA 54 15.257 14.310 -18.249 409 H THR 55 HN THR 55 14.571 10.334 -20.223 410 HA THR 55 HA THR 55 16.062 8.550 -18.733 411 HB THR 55 HB THR 55 14.530 8.396 -21.365 412 HG1 THR 55 HG1 THR 55 13.314 8.643 -19.406 413 1HG2 THR 55 1HG2 THR 55 16.434 6.535 -20.915 414 2HG2 THR 55 2HG2 THR 55 15.221 5.935 -19.759 415 3HG2 THR 55 3HG2 THR 55 14.813 6.072 -21.486 416 H GLU 56 HN GLU 56 16.578 9.351 -22.239 417 HA GLU 56 HA GLU 56 18.987 7.960 -22.314 418 1HB GLU 56 2HB GLU 56 17.921 10.189 -24.102 419 2HB GLU 56 3HB GLU 56 19.324 9.210 -24.484 420 1HG GLU 56 2HG GLU 56 17.219 7.395 -23.764 421 2HG GLU 56 3HG GLU 56 16.516 8.576 -24.852 422 H ASN 57 HN ASN 57 18.152 11.404 -21.688 423 HA ASN 57 HA ASN 57 20.734 12.377 -21.795 424 1HB ASN 57 2HB ASN 57 18.103 13.255 -20.684 425 2HB ASN 57 3HB ASN 57 19.489 13.980 -19.894 426 1HD2 ASN 57 1HD2 ASN 57 21.255 14.719 -21.451 427 2HD2 ASN 57 2HD2 ASN 57 20.747 15.622 -22.840 428 H PHE 58 HN PHE 58 19.120 10.278 -19.545 429 HA PHE 58 HA PHE 58 20.873 11.008 -17.340 430 1HB PHE 58 2HB PHE 58 18.655 10.586 -16.587 431 2HB PHE 58 3HB PHE 58 18.348 9.414 -17.853 432 HD1 PHE 58 HD1 PHE 58 19.303 9.890 -14.437 433 HD2 PHE 58 HD2 PHE 58 19.419 7.115 -17.645 434 HE1 PHE 58 HE1 PHE 58 19.715 8.025 -12.809 435 HE2 PHE 58 HE2 PHE 58 19.831 5.250 -16.017 436 HZ PHE 58 HZ PHE 58 19.973 5.727 -13.618 437 H GLU 59 HN GLU 59 20.136 8.308 -19.608 438 HA GLU 59 HA GLU 59 22.044 6.616 -18.355 439 1HB GLU 59 2HB GLU 59 20.393 6.420 -20.900 440 2HB GLU 59 3HB GLU 59 21.576 5.198 -20.479 441 1HG GLU 59 2HG GLU 59 20.273 5.335 -18.100 442 2HG GLU 59 3HG GLU 59 18.966 5.860 -19.143 443 H ASP 60 HN ASP 60 21.921 8.859 -21.134 444 HA ASP 60 HA ASP 60 24.161 8.014 -22.456 445 1HB ASP 60 2HB ASP 60 22.489 9.784 -23.182 446 2HB ASP 60 3HB ASP 60 23.241 10.900 -22.059 447 H VAL 61 HN VAL 61 23.716 10.308 -19.689 448 HA VAL 61 HA VAL 61 26.441 11.066 -19.559 449 HB VAL 61 HB VAL 61 25.818 12.186 -17.558 450 1HG1 VAL 61 1HG1 VAL 61 23.423 13.094 -18.364 451 2HG1 VAL 61 2HG1 VAL 61 24.944 13.525 -19.182 452 3HG1 VAL 61 3HG1 VAL 61 23.909 12.237 -19.846 453 1HG2 VAL 61 1HG2 VAL 61 23.063 11.346 -17.240 454 2HG2 VAL 61 2HG2 VAL 61 24.167 9.958 -17.094 455 3HG2 VAL 61 3HG2 VAL 61 24.384 11.383 -16.048 456 H GLY 62 HN GLY 62 24.697 8.202 -18.706 457 1HA GLY 62 1HA GLY 62 25.305 6.316 -17.648 458 2HA GLY 62 2HA GLY 62 26.969 6.810 -17.884 459 H HIS 63 HN HIS 63 24.141 7.006 -15.695 460 HA HIS 63 HA HIS 63 25.503 8.458 -13.691 461 1HB HIS 63 2HB HIS 63 22.931 6.903 -13.835 462 2HB HIS 63 3HB HIS 63 23.529 7.471 -12.289 463 HD1 HIS 63 HD1 HIS 63 22.868 8.996 -15.756 464 HD2 HIS 63 HD2 HIS 63 22.622 9.968 -11.683 465 HE1 HIS 63 HE1 HIS 63 21.856 11.335 -15.640 466 H SER 64 HN SER 64 26.583 7.746 -11.831 467 HA SER 64 HA SER 64 27.671 5.129 -12.081 468 1HB SER 64 2HB SER 64 28.392 7.609 -10.815 469 2HB SER 64 3HB SER 64 28.368 6.374 -9.572 470 HG SER 64 HG SER 64 29.774 5.064 -10.953 471 H THR 65 HN THR 65 27.877 3.790 -9.889 472 HA THR 65 HA THR 65 25.372 2.848 -9.220 473 HB THR 65 HB THR 65 28.185 2.638 -8.163 474 HG1 THR 65 HG1 THR 65 27.494 1.163 -9.766 475 1HG2 THR 65 1HG2 THR 65 26.591 2.731 -6.114 476 2HG2 THR 65 2HG2 THR 65 25.827 1.270 -6.786 477 3HG2 THR 65 3HG2 THR 65 27.541 1.238 -6.305 478 H ASP 66 HN ASP 66 27.399 5.291 -7.499 479 HA ASP 66 HA ASP 66 26.058 5.601 -5.248 480 1HB ASP 66 2HB ASP 66 27.892 7.062 -5.676 481 2HB ASP 66 3HB ASP 66 27.194 7.650 -7.171 482 H ALA 67 HN ALA 67 25.072 6.715 -8.534 483 HA ALA 67 HA ALA 67 22.822 8.192 -7.670 484 1HB ALA 67 1HB ALA 67 24.103 8.399 -9.860 485 2HB ALA 67 2HB ALA 67 23.290 6.904 -10.384 486 3HB ALA 67 3HB ALA 67 22.331 8.357 -10.013 487 H ARG 68 HN ARG 68 23.312 4.835 -8.938 488 HA ARG 68 HA ARG 68 20.835 3.995 -9.229 489 1HB ARG 68 2HB ARG 68 23.209 2.731 -9.123 490 2HB ARG 68 3HB ARG 68 22.634 2.242 -7.542 491 1HG ARG 68 2HG ARG 68 21.703 0.516 -8.761 492 2HG ARG 68 3HG ARG 68 20.396 1.668 -8.946 493 1HD ARG 68 2HD ARG 68 20.704 1.218 -11.188 494 2HD ARG 68 3HD ARG 68 21.932 2.459 -11.046 495 HE ARG 68 HE ARG 68 22.923 -0.217 -10.381 496 1HH1 ARG 68 1HH1 ARG 68 24.734 -0.485 -13.352 497 2HH1 ARG 68 2HH1 ARG 68 24.471 -1.155 -11.777 498 1HH2 ARG 68 1HH2 ARG 68 23.515 1.364 -14.046 499 2HH2 ARG 68 2HH2 ARG 68 22.343 2.075 -12.988 500 H GLU 69 HN GLU 69 22.534 4.482 -6.084 501 HA GLU 69 HA GLU 69 20.457 3.391 -4.545 502 1HB GLU 69 2HB GLU 69 23.063 4.120 -4.071 503 2HB GLU 69 3HB GLU 69 22.221 5.446 -3.296 504 1HG GLU 69 2HG GLU 69 21.255 4.083 -1.676 505 2HG GLU 69 3HG GLU 69 21.157 2.695 -2.742 506 H LEU 70 HN LEU 70 21.520 6.822 -5.146 507 HA LEU 70 HA LEU 70 19.500 8.058 -3.755 508 1HB LEU 70 2HB LEU 70 21.307 8.789 -6.000 509 2HB LEU 70 3HB LEU 70 19.937 9.838 -5.698 510 HG LEU 70 HG LEU 70 20.721 10.523 -3.630 511 1HD1 LEU 70 1HD1 LEU 70 21.098 8.719 -2.298 512 2HD1 LEU 70 2HD1 LEU 70 22.040 7.853 -3.533 513 3HD1 LEU 70 3HD1 LEU 70 22.787 9.183 -2.616 514 1HD2 LEU 70 1HD2 LEU 70 22.729 10.318 -5.738 515 2HD2 LEU 70 2HD2 LEU 70 22.296 11.690 -4.690 516 3HD2 LEU 70 3HD2 LEU 70 23.446 10.459 -4.114 517 H SER 71 HN SER 71 19.571 7.571 -7.361 518 HA SER 71 HA SER 71 17.194 8.377 -8.049 519 1HB SER 71 2HB SER 71 17.098 6.335 -9.647 520 2HB SER 71 3HB SER 71 18.502 7.379 -9.744 521 HG SER 71 HG SER 71 19.707 5.677 -9.302 522 H LYS 72 HN LYS 72 17.761 5.024 -6.742 523 HA LYS 72 HA LYS 72 15.096 4.277 -6.664 524 1HB LYS 72 2HB LYS 72 16.646 2.553 -6.464 525 2HB LYS 72 3HB LYS 72 17.590 3.387 -5.246 526 1HG LYS 72 2HG LYS 72 16.326 2.558 -3.539 527 2HG LYS 72 3HG LYS 72 14.823 2.955 -4.347 528 1HD LYS 72 2HD LYS 72 16.553 0.536 -5.049 529 2HD LYS 72 3HD LYS 72 15.169 0.472 -3.975 530 1HE LYS 72 2HE LYS 72 13.687 1.280 -5.816 531 2HE LYS 72 3HE LYS 72 15.067 1.383 -6.891 532 1HZ LYS 72 1HZ LYS 72 15.267 -0.886 -6.949 533 2HZ LYS 72 2HZ LYS 72 14.468 -1.134 -5.546 534 3HZ LYS 72 3HZ LYS 72 13.644 -0.714 -6.892 535 H THR 73 HN THR 73 17.165 5.778 -4.090 536 HA THR 73 HA THR 73 15.156 5.897 -2.155 537 HB THR 73 HB THR 73 17.876 6.965 -2.664 538 HG1 THR 73 HG1 THR 73 17.748 6.454 -0.258 539 1HG2 THR 73 1HG2 THR 73 16.678 9.136 -2.206 540 2HG2 THR 73 2HG2 THR 73 15.982 8.412 -0.737 541 3HG2 THR 73 3HG2 THR 73 17.740 8.664 -0.859 542 H TYR 74 HN TYR 74 15.837 7.950 -4.972 543 HA TYR 74 HA TYR 74 13.795 9.830 -4.046 544 1HB TYR 74 2HB TYR 74 16.002 9.693 -6.170 545 2HB TYR 74 3HB TYR 74 14.758 10.921 -6.298 546 HD1 TYR 74 HD1 TYR 74 17.628 9.737 -4.302 547 HD2 TYR 74 HD2 TYR 74 14.711 12.827 -4.799 548 HE1 TYR 74 HE1 TYR 74 18.939 11.239 -2.725 549 HE2 TYR 74 HE2 TYR 74 16.032 14.318 -3.221 550 HH TYR 74 HH TYR 74 18.805 13.076 -1.465 551 H ILE 75 HN ILE 75 12.814 7.258 -4.721 552 HA ILE 75 HA ILE 75 11.567 7.816 -7.323 553 HB ILE 75 HB ILE 75 13.156 5.777 -6.972 554 1HG1 ILE 75 2HG1 ILE 75 10.463 5.268 -8.248 555 2HG1 ILE 75 3HG1 ILE 75 11.630 6.380 -8.936 556 1HG2 ILE 75 1HG2 ILE 75 11.864 5.079 -4.885 557 2HG2 ILE 75 2HG2 ILE 75 10.594 4.512 -5.997 558 3HG2 ILE 75 3HG2 ILE 75 12.229 3.811 -6.079 559 1HD1 ILE 75 1HD1 ILE 75 12.009 4.253 -9.999 560 2HD1 ILE 75 2HD1 ILE 75 13.346 4.474 -8.845 561 3HD1 ILE 75 3HD1 ILE 75 11.990 3.396 -8.439 562 H ILE 76 HN ILE 76 9.320 7.729 -7.463 563 HA ILE 76 HA ILE 76 7.956 7.227 -4.910 564 HB ILE 76 HB ILE 76 6.567 9.068 -5.212 565 1HG1 ILE 76 2HG1 ILE 76 6.268 8.596 -7.713 566 2HG1 ILE 76 3HG1 ILE 76 6.159 10.260 -7.173 567 1HG2 ILE 76 1HG2 ILE 76 9.420 9.734 -5.924 568 2HG2 ILE 76 2HG2 ILE 76 8.190 10.994 -5.662 569 3HG2 ILE 76 3HG2 ILE 76 8.598 9.861 -4.351 570 1HD1 ILE 76 1HD1 ILE 76 7.575 10.402 -9.059 571 2HD1 ILE 76 2HD1 ILE 76 8.726 10.380 -7.701 572 3HD1 ILE 76 3HD1 ILE 76 8.433 8.899 -8.645 573 H GLY 77 HN GLY 77 7.980 7.051 -8.482 574 1HA GLY 77 1HA GLY 77 6.670 4.620 -8.625 575 2HA GLY 77 2HA GLY 77 5.418 5.842 -8.733 576 H GLU 78 HN GLU 78 5.170 4.848 -10.970 577 HA GLU 78 HA GLU 78 7.108 6.095 -12.761 578 1HB GLU 78 2HB GLU 78 6.713 4.278 -14.357 579 2HB GLU 78 3HB GLU 78 7.210 3.607 -12.816 580 1HG GLU 78 2HG GLU 78 5.085 2.748 -12.335 581 2HG GLU 78 3HG GLU 78 4.255 3.966 -13.285 582 H LEU 79 HN LEU 79 6.066 6.481 -15.057 583 HA LEU 79 HA LEU 79 3.465 7.724 -14.548 584 1HB LEU 79 2HB LEU 79 3.979 9.298 -16.168 585 2HB LEU 79 3HB LEU 79 5.471 9.080 -15.276 586 HG LEU 79 HG LEU 79 6.086 9.229 -17.543 587 1HD1 LEU 79 1HD1 LEU 79 7.211 7.427 -16.281 588 2HD1 LEU 79 2HD1 LEU 79 6.023 6.264 -16.918 589 3HD1 LEU 79 3HD1 LEU 79 7.132 7.101 -18.030 590 1HD2 LEU 79 1HD2 LEU 79 3.770 8.819 -18.424 591 2HD2 LEU 79 2HD2 LEU 79 5.082 8.078 -19.373 592 3HD2 LEU 79 3HD2 LEU 79 4.095 7.074 -18.283 593 H HIS 80 HN HIS 80 1.778 7.553 -16.201 594 HA HIS 80 HA HIS 80 1.193 5.009 -16.896 595 1HB HIS 80 2HB HIS 80 -0.159 7.263 -16.989 596 2HB HIS 80 3HB HIS 80 0.321 7.267 -18.674 597 HD1 HIS 80 HD1 HIS 80 -2.653 6.998 -17.953 598 HD2 HIS 80 HD2 HIS 80 -0.102 3.722 -18.551 599 HE1 HIS 80 HE1 HIS 80 -4.153 5.025 -18.562 600 HA PRO 81 HA PRO 81 4.195 4.405 -20.060 601 1HB PRO 81 2HB PRO 81 4.082 1.674 -20.080 602 2HB PRO 81 3HB PRO 81 5.135 2.582 -19.014 603 1HG PRO 81 2HG PRO 81 2.615 1.174 -18.374 604 2HG PRO 81 3HG PRO 81 3.880 1.710 -17.286 605 1HD PRO 81 2HD PRO 81 1.334 2.962 -17.706 606 2HD PRO 81 3HD PRO 81 2.643 3.560 -16.707 607 H ASP 82 HN ASP 82 0.940 4.127 -20.058 608 HA ASP 82 HA ASP 82 0.718 2.772 -22.539 609 1HB ASP 82 2HB ASP 82 -1.014 3.138 -20.531 610 2HB ASP 82 3HB ASP 82 -1.429 4.587 -21.425 611 H ASP 83 HN ASP 83 0.920 6.123 -21.302 612 HA ASP 83 HA ASP 83 0.390 7.143 -23.960 613 1HB ASP 83 2HB ASP 83 0.719 8.490 -21.242 614 2HB ASP 83 3HB ASP 83 0.538 9.396 -22.731 615 H ARG 84 HN ARG 84 2.928 6.334 -21.709 616 HA ARG 84 HA ARG 84 4.796 8.258 -22.292 617 1HB ARG 84 2HB ARG 84 4.779 6.279 -20.537 618 2HB ARG 84 3HB ARG 84 5.552 5.353 -21.807 619 1HG ARG 84 2HG ARG 84 6.617 8.074 -20.951 620 2HG ARG 84 3HG ARG 84 7.089 6.606 -20.120 621 1HD ARG 84 2HD ARG 84 7.347 6.102 -22.945 622 2HD ARG 84 3HD ARG 84 8.093 7.655 -22.625 623 HE ARG 84 HE ARG 84 9.068 6.070 -20.577 624 1HH1 ARG 84 1HH1 ARG 84 11.589 4.282 -22.197 625 2HH1 ARG 84 2HH1 ARG 84 10.987 4.834 -20.670 626 1HH2 ARG 84 1HH2 ARG 84 10.446 4.801 -24.150 627 2HH2 ARG 84 2HH2 ARG 84 8.992 5.738 -24.080 628 H SER 85 HN SER 85 3.752 5.341 -24.053 629 HA SER 85 HA SER 85 5.847 5.865 -26.010 630 1HB SER 85 2HB SER 85 4.373 3.364 -25.173 631 2HB SER 85 3HB SER 85 4.998 3.465 -26.807 632 HG SER 85 HG SER 85 6.449 2.523 -25.078 633 H LYS 86 HN LYS 86 3.692 7.637 -26.010 634 HA LYS 86 HA LYS 86 1.777 6.629 -27.947 635 1HB LYS 86 2HB LYS 86 1.388 8.162 -25.795 636 2HB LYS 86 3HB LYS 86 1.733 9.442 -26.940 637 1HG LYS 86 2HG LYS 86 -0.123 8.910 -28.310 638 2HG LYS 86 3HG LYS 86 -0.216 7.261 -27.721 639 1HD LYS 86 2HD LYS 86 -1.796 7.923 -26.238 640 2HD LYS 86 3HD LYS 86 -0.580 8.880 -25.417 641 1HE LYS 86 2HE LYS 86 -1.074 10.666 -27.314 642 2HE LYS 86 3HE LYS 86 -2.559 9.762 -27.539 643 1HZ LYS 86 1HZ LYS 86 -2.953 11.440 -25.960 644 2HZ LYS 86 2HZ LYS 86 -2.928 10.036 -25.125 645 3HZ LYS 86 3HZ LYS 86 -1.646 11.046 -25.063 646 H ILE 87 HN ILE 87 4.511 6.715 -28.814 647 HA ILE 87 HA ILE 87 4.645 9.112 -30.458 648 HB ILE 87 HB ILE 87 6.545 7.860 -29.059 649 1HG1 ILE 87 2HG1 ILE 87 8.164 8.913 -30.817 650 2HG1 ILE 87 3HG1 ILE 87 6.698 9.475 -31.595 651 1HG2 ILE 87 1HG2 ILE 87 7.057 6.773 -31.824 652 2HG2 ILE 87 2HG2 ILE 87 7.878 6.386 -30.293 653 3HG2 ILE 87 3HG2 ILE 87 6.216 5.820 -30.579 654 1HD1 ILE 87 1HD1 ILE 87 6.297 10.051 -28.859 655 2HD1 ILE 87 2HD1 ILE 87 7.997 10.469 -29.173 656 3HD1 ILE 87 3HD1 ILE 87 6.705 11.215 -30.143 657 H ALA 88 HN ALA 88 3.914 5.649 -30.587 658 HA ALA 88 HA ALA 88 4.174 5.427 -33.406 659 1HB ALA 88 1HB ALA 88 3.763 3.235 -32.991 660 2HB ALA 88 2HB ALA 88 3.953 3.695 -31.282 661 3HB ALA 88 3HB ALA 88 2.328 3.592 -32.001 662 HHA HEM 95 HA HEM 95 27.012 12.974 -13.034 663 HHB HEM 95 HB HEM 95 22.964 10.980 -8.587 664 HHC HEM 95 HC HEM 95 18.091 12.668 -12.340 665 HHD HEM 95 HD HEM 95 22.193 14.701 -16.718 666 1HMA HEM 95 1HMA HEM 95 25.876 11.362 -7.644 667 2HMA HEM 95 2HMA HEM 95 26.457 9.893 -8.524 668 3HMA HEM 95 3HMA HEM 95 24.736 10.006 -8.044 669 1HAA HEM 95 1HAA HEM 95 27.582 10.181 -11.137 670 2HAA HEM 95 2HAA HEM 95 28.131 11.298 -9.757 671 1HBA HEM 95 1HBA HEM 95 28.694 11.969 -12.513 672 2HBA HEM 95 2HBA HEM 95 29.775 11.378 -11.201 673 1HMB HEM 95 1HMB HEM 95 20.229 11.560 -7.110 674 2HMB HEM 95 2HMB HEM 95 21.261 10.196 -7.716 675 3HMB HEM 95 3HMB HEM 95 19.486 10.057 -7.809 676 HAB HEM 95 HAB HEM 95 17.497 12.481 -9.545 677 1HBB HEM 95 HBB HEM 95 17.580 9.401 -9.720 678 2HBB HEM 95 HBB HEM 95 16.120 10.538 -9.402 679 1HMC HEM 95 1HMC HEM 95 16.955 14.359 -14.421 680 2HMC HEM 95 2HMC HEM 95 17.152 12.565 -14.233 681 3HMC HEM 95 3HMC HEM 95 17.213 13.301 -15.864 682 HAC HEM 95 HAC HEM 95 20.392 14.694 -17.598 683 1HBC HEM 95 HBC HEM 95 17.682 15.546 -16.386 684 2HBC HEM 95 HBC HEM 95 18.337 15.873 -18.116 685 1HMD HEM 95 1HMD HEM 95 24.607 16.368 -16.833 686 2HMD HEM 95 2HMD HEM 95 24.316 14.883 -17.833 687 3HMD HEM 95 3HMD HEM 95 25.998 15.364 -17.392 688 1HAD HEM 95 1HAD HEM 95 27.824 14.351 -14.207 689 2HAD HEM 95 2HAD HEM 95 27.496 15.275 -15.699 690 1HBD HEM 95 1HBD HEM 95 27.691 13.200 -17.081 691 2HBD HEM 95 2HBD HEM 95 27.852 12.193 -15.631 Start of MODEL 18 1 H VAL 4 HN VAL 4 2.368 -1.198 -8.710 2 HA VAL 4 HA VAL 4 3.852 0.936 -7.469 3 HB VAL 4 HB VAL 4 4.421 -0.607 -9.519 4 1HG1 VAL 4 1HG1 VAL 4 3.067 1.725 -10.914 5 2HG1 VAL 4 2HG1 VAL 4 3.925 0.366 -11.678 6 3HG1 VAL 4 3HG1 VAL 4 2.398 0.079 -10.808 7 1HG2 VAL 4 1HG2 VAL 4 5.266 2.104 -10.226 8 2HG2 VAL 4 2HG2 VAL 4 5.431 1.765 -8.487 9 3HG2 VAL 4 3HG2 VAL 4 6.228 0.710 -9.680 10 H LYS 5 HN LYS 5 3.661 3.199 -8.597 11 HA LYS 5 HA LYS 5 0.791 3.803 -8.737 12 1HB LYS 5 2HB LYS 5 2.989 4.970 -7.225 13 2HB LYS 5 3HB LYS 5 2.183 6.176 -8.207 14 1HG LYS 5 2HG LYS 5 0.430 4.244 -6.706 15 2HG LYS 5 3HG LYS 5 1.277 5.451 -5.759 16 1HD LYS 5 2HD LYS 5 -0.866 6.401 -6.359 17 2HD LYS 5 3HD LYS 5 0.348 7.239 -7.305 18 1HE LYS 5 2HE LYS 5 -0.275 6.177 -9.314 19 2HE LYS 5 3HE LYS 5 -0.941 4.778 -8.495 20 1HZ LYS 5 1HZ LYS 5 -2.760 6.128 -7.746 21 2HZ LYS 5 2HZ LYS 5 -2.127 7.467 -8.434 22 3HZ LYS 5 3HZ LYS 5 -2.644 6.233 -9.372 23 H TYR 6 HN TYR 6 0.027 4.372 -10.696 24 HA TYR 6 HA TYR 6 1.995 5.135 -12.721 25 1HB TYR 6 2HB TYR 6 -0.982 4.334 -12.764 26 2HB TYR 6 3HB TYR 6 -0.020 4.599 -14.205 27 HD1 TYR 6 HD1 TYR 6 2.453 3.193 -13.781 28 HD2 TYR 6 HD2 TYR 6 -1.491 2.083 -12.550 29 HE1 TYR 6 HE1 TYR 6 3.138 0.744 -13.766 30 HE2 TYR 6 HE2 TYR 6 -0.793 -0.361 -12.540 31 HH TYR 6 HH TYR 6 1.617 -1.552 -14.083 32 H TYR 7 HN TYR 7 2.343 7.304 -12.859 33 HA TYR 7 HA TYR 7 0.118 9.092 -12.270 34 1HB TYR 7 2HB TYR 7 3.047 9.621 -13.057 35 2HB TYR 7 3HB TYR 7 1.979 10.751 -12.249 36 HD1 TYR 7 HD1 TYR 7 4.756 8.901 -11.675 37 HD2 TYR 7 HD2 TYR 7 0.853 9.429 -10.007 38 HE1 TYR 7 HE1 TYR 7 5.605 8.097 -9.418 39 HE2 TYR 7 HE2 TYR 7 1.714 8.623 -7.755 40 HH TYR 7 HH TYR 7 4.394 8.682 -6.727 41 H THR 8 HN THR 8 -0.530 10.790 -13.735 42 HA THR 8 HA THR 8 -0.440 9.921 -16.485 43 HB THR 8 HB THR 8 -1.942 12.097 -16.604 44 HG1 THR 8 HG1 THR 8 -2.429 12.877 -14.522 45 1HG2 THR 8 1HG2 THR 8 -2.758 9.615 -16.373 46 2HG2 THR 8 2HG2 THR 8 -2.927 9.985 -14.641 47 3HG2 THR 8 3HG2 THR 8 -3.871 10.899 -15.842 48 H LEU 9 HN LEU 9 0.404 11.042 -18.262 49 HA LEU 9 HA LEU 9 2.883 12.166 -17.891 50 1HB LEU 9 2HB LEU 9 2.955 12.340 -20.141 51 2HB LEU 9 3HB LEU 9 1.624 11.212 -19.979 52 HG LEU 9 HG LEU 9 1.265 14.198 -20.343 53 1HD1 LEU 9 1HD1 LEU 9 1.783 12.044 -22.304 54 2HD1 LEU 9 2HD1 LEU 9 0.430 13.135 -22.688 55 3HD1 LEU 9 3HD1 LEU 9 2.058 13.800 -22.413 56 1HD2 LEU 9 1HD2 LEU 9 -0.624 13.091 -19.257 57 2HD2 LEU 9 2HD2 LEU 9 -1.047 13.621 -20.903 58 3HD2 LEU 9 3HD2 LEU 9 -0.703 11.904 -20.581 59 H GLU 10 HN GLU 10 -0.278 13.548 -17.398 60 HA GLU 10 HA GLU 10 0.365 16.206 -17.904 61 1HB GLU 10 2HB GLU 10 -1.882 14.718 -16.989 62 2HB GLU 10 3HB GLU 10 -1.583 15.931 -15.759 63 1HG GLU 10 2HG GLU 10 -3.069 16.920 -17.399 64 2HG GLU 10 3HG GLU 10 -1.507 17.691 -17.582 65 H GLU 11 HN GLU 11 0.876 14.054 -15.108 66 HA GLU 11 HA GLU 11 1.339 15.999 -13.209 67 1HB GLU 11 2HB GLU 11 1.551 13.149 -13.433 68 2HB GLU 11 3HB GLU 11 3.066 13.721 -12.765 69 1HG GLU 11 2HG GLU 11 2.012 13.830 -10.756 70 2HG GLU 11 3HG GLU 11 1.166 15.235 -11.373 71 H ILE 12 HN ILE 12 3.972 13.926 -14.606 72 HA ILE 12 HA ILE 12 6.117 15.300 -13.940 73 HB ILE 12 HB ILE 12 6.751 14.748 -16.536 74 1HG1 ILE 12 2HG1 ILE 12 4.170 14.006 -16.566 75 2HG1 ILE 12 3HG1 ILE 12 5.410 13.227 -17.530 76 1HG2 ILE 12 1HG2 ILE 12 6.638 12.977 -14.090 77 2HG2 ILE 12 2HG2 ILE 12 7.409 12.479 -15.616 78 3HG2 ILE 12 3HG2 ILE 12 8.019 13.898 -14.732 79 1HD1 ILE 12 1HD1 ILE 12 4.904 12.246 -14.712 80 2HD1 ILE 12 2HD1 ILE 12 3.808 11.759 -16.027 81 3HD1 ILE 12 3HD1 ILE 12 5.538 11.353 -16.115 82 H GLN 13 HN GLN 13 3.835 16.264 -16.553 83 HA GLN 13 HA GLN 13 5.309 18.355 -17.537 84 1HB GLN 13 2HB GLN 13 2.403 17.617 -17.479 85 2HB GLN 13 3HB GLN 13 2.784 19.268 -17.925 86 1HG GLN 13 2HG GLN 13 4.362 17.045 -19.223 87 2HG GLN 13 3HG GLN 13 2.712 17.303 -19.754 88 1HE2 GLN 13 1HE2 GLN 13 2.092 19.510 -20.360 89 2HE2 GLN 13 2HE2 GLN 13 3.240 20.524 -21.170 90 H LYS 14 HN LYS 14 2.606 18.499 -15.097 91 HA LYS 14 HA LYS 14 3.098 21.201 -14.475 92 1HB LYS 14 2HB LYS 14 1.546 20.770 -12.590 93 2HB LYS 14 3HB LYS 14 0.917 20.252 -14.141 94 1HG LYS 14 2HG LYS 14 1.596 17.905 -13.654 95 2HG LYS 14 3HG LYS 14 2.281 18.408 -12.122 96 1HD LYS 14 2HD LYS 14 0.139 17.614 -11.510 97 2HD LYS 14 3HD LYS 14 -0.089 19.351 -11.571 98 1HE LYS 14 2HE LYS 14 -0.527 18.099 -14.204 99 2HE LYS 14 3HE LYS 14 -1.583 17.424 -12.979 100 1HZ LYS 14 1HZ LYS 14 -2.787 19.227 -13.352 101 2HZ LYS 14 2HZ LYS 14 -1.682 20.057 -12.481 102 3HZ LYS 14 3HZ LYS 14 -1.585 20.031 -14.111 103 H HIS 15 HN HIS 15 4.884 18.372 -13.840 104 HA HIS 15 HA HIS 15 5.991 19.534 -11.398 105 1HB HIS 15 2HB HIS 15 6.277 16.732 -12.521 106 2HB HIS 15 3HB HIS 15 6.966 17.305 -11.016 107 HD1 HIS 15 HD1 HIS 15 4.745 18.622 -9.538 108 HD2 HIS 15 HD2 HIS 15 4.098 15.225 -11.913 109 HE1 HIS 15 HE1 HIS 15 2.593 17.549 -8.682 110 H LYS 16 HN LYS 16 6.633 20.993 -13.617 111 HA LYS 16 HA LYS 16 9.313 20.030 -14.328 112 1HB LYS 16 2HB LYS 16 7.195 20.853 -15.968 113 2HB LYS 16 3HB LYS 16 8.297 22.216 -15.958 114 1HG LYS 16 2HG LYS 16 10.123 20.232 -16.258 115 2HG LYS 16 3HG LYS 16 8.742 19.416 -16.962 116 1HD LYS 16 2HD LYS 16 9.446 22.247 -17.807 117 2HD LYS 16 3HD LYS 16 10.285 20.879 -18.511 118 1HE LYS 16 2HE LYS 16 8.561 20.747 -19.993 119 2HE LYS 16 3HE LYS 16 7.609 20.091 -18.677 120 1HZ LYS 16 1HZ LYS 16 7.315 22.543 -19.951 121 2HZ LYS 16 2HZ LYS 16 6.375 21.890 -18.786 122 3HZ LYS 16 3HZ LYS 16 7.644 22.834 -18.378 123 H ASP 17 HN ASP 17 8.163 21.559 -11.866 124 HA ASP 17 HA ASP 17 9.900 23.880 -12.171 125 1HB ASP 17 2HB ASP 17 7.219 23.594 -11.172 126 2HB ASP 17 3HB ASP 17 8.231 23.997 -9.800 127 H SER 18 HN SER 18 10.849 24.552 -9.863 128 HA SER 18 HA SER 18 12.390 22.445 -8.968 129 1HB SER 18 2HB SER 18 12.319 25.223 -8.629 130 2HB SER 18 3HB SER 18 12.046 24.621 -7.006 131 HG SER 18 HG SER 18 14.382 24.894 -8.079 132 H LYS 19 HN LYS 19 9.414 23.998 -7.628 133 HA LYS 19 HA LYS 19 9.243 22.854 -5.194 134 1HB LYS 19 2HB LYS 19 7.229 23.662 -7.251 135 2HB LYS 19 3HB LYS 19 6.662 22.756 -5.863 136 1HG LYS 19 2HG LYS 19 8.099 24.483 -4.463 137 2HG LYS 19 3HG LYS 19 8.033 25.461 -5.916 138 1HD LYS 19 2HD LYS 19 5.465 25.103 -5.864 139 2HD LYS 19 3HD LYS 19 5.686 24.461 -4.249 140 1HE LYS 19 2HE LYS 19 7.167 26.924 -4.389 141 2HE LYS 19 3HE LYS 19 5.588 27.231 -5.087 142 1HZ LYS 19 1HZ LYS 19 5.849 25.793 -2.555 143 2HZ LYS 19 2HZ LYS 19 5.842 27.424 -2.597 144 3HZ LYS 19 3HZ LYS 19 4.550 26.589 -3.142 145 H SER 20 HN SER 20 8.283 21.334 -8.339 146 HA SER 20 HA SER 20 8.716 18.783 -7.035 147 1HB SER 20 2HB SER 20 6.171 19.721 -8.359 148 2HB SER 20 3HB SER 20 6.616 18.033 -8.508 149 HG SER 20 HG SER 20 5.477 18.008 -6.637 150 H THR 21 HN THR 21 10.594 18.332 -8.223 151 HA THR 21 HA THR 21 10.411 18.598 -11.140 152 HB THR 21 HB THR 21 12.659 18.484 -9.091 153 HG1 THR 21 HG1 THR 21 12.158 20.592 -9.654 154 1HG2 THR 21 1HG2 THR 21 13.620 18.841 -11.801 155 2HG2 THR 21 2HG2 THR 21 14.123 17.615 -10.612 156 3HG2 THR 21 3HG2 THR 21 12.760 17.284 -11.711 157 H TRP 22 HN TRP 22 9.703 16.878 -12.225 158 HA TRP 22 HA TRP 22 10.491 14.249 -11.164 159 1HB TRP 22 2HB TRP 22 7.925 15.249 -12.315 160 2HB TRP 22 3HB TRP 22 8.394 13.592 -12.640 161 HD1 TRP 22 HD1 TRP 22 9.432 14.836 -9.207 162 HE1 TRP 22 HE1 TRP 22 7.962 13.787 -7.284 163 HE3 TRP 22 HE3 TRP 22 5.935 12.789 -12.280 164 HZ2 TRP 22 HZ2 TRP 22 5.556 12.252 -7.264 165 HZ3 TRP 22 HZ3 TRP 22 4.058 11.532 -11.228 166 HH2 TRP 22 HH2 TRP 22 3.836 11.248 -8.811 167 H VAL 23 HN VAL 23 10.891 12.598 -12.893 168 HA VAL 23 HA VAL 23 11.248 13.570 -15.568 169 HB VAL 23 HB VAL 23 13.250 14.456 -14.547 170 1HG1 VAL 23 1HG1 VAL 23 13.265 12.808 -12.624 171 2HG1 VAL 23 2HG1 VAL 23 14.016 11.638 -13.735 172 3HG1 VAL 23 3HG1 VAL 23 14.852 13.161 -13.347 173 1HG2 VAL 23 1HG2 VAL 23 14.722 12.357 -15.820 174 2HG2 VAL 23 2HG2 VAL 23 13.195 12.591 -16.705 175 3HG2 VAL 23 3HG2 VAL 23 14.297 13.966 -16.452 176 H ILE 24 HN ILE 24 10.652 11.919 -16.874 177 HA ILE 24 HA ILE 24 10.165 9.364 -15.761 178 HB ILE 24 HB ILE 24 10.151 10.327 -18.624 179 1HG1 ILE 24 2HG1 ILE 24 7.715 9.911 -16.908 180 2HG1 ILE 24 3HG1 ILE 24 8.616 11.410 -16.797 181 1HG2 ILE 24 1HG2 ILE 24 10.356 7.829 -18.278 182 2HG2 ILE 24 2HG2 ILE 24 8.758 7.892 -17.498 183 3HG2 ILE 24 3HG2 ILE 24 8.937 8.379 -19.201 184 1HD1 ILE 24 1HD1 ILE 24 8.463 11.488 -19.399 185 2HD1 ILE 24 2HD1 ILE 24 7.206 10.240 -19.220 186 3HD1 ILE 24 3HD1 ILE 24 6.985 11.840 -18.470 187 H LEU 25 HN LEU 25 11.711 7.922 -15.233 188 HA LEU 25 HA LEU 25 13.986 7.714 -17.079 189 1HB LEU 25 2HB LEU 25 13.930 8.260 -14.221 190 2HB LEU 25 3HB LEU 25 14.873 6.830 -14.596 191 HG LEU 25 HG LEU 25 16.387 8.037 -15.958 192 1HD1 LEU 25 1HD1 LEU 25 15.812 10.679 -16.096 193 2HD1 LEU 25 2HD1 LEU 25 15.400 9.496 -17.360 194 3HD1 LEU 25 3HD1 LEU 25 14.174 9.987 -16.168 195 1HD2 LEU 25 1HD2 LEU 25 15.705 9.738 -13.544 196 2HD2 LEU 25 2HD2 LEU 25 16.780 8.319 -13.580 197 3HD2 LEU 25 3HD2 LEU 25 17.231 9.799 -14.460 198 H HIS 26 HN HIS 26 14.439 5.682 -17.836 199 HA HIS 26 HA HIS 26 13.781 3.635 -18.442 200 1HB HIS 26 2HB HIS 26 13.971 2.294 -15.961 201 2HB HIS 26 3HB HIS 26 15.187 2.443 -17.214 202 HD1 HIS 26 HD1 HIS 26 16.175 5.277 -16.982 203 HD2 HIS 26 HD2 HIS 26 15.203 2.956 -13.625 204 HE1 HIS 26 HE1 HIS 26 17.439 6.300 -15.016 205 H HIS 27 HN HIS 27 11.483 5.231 -18.050 206 HA HIS 27 HA HIS 27 9.303 5.007 -17.912 207 1HB HIS 27 2HB HIS 27 9.964 2.079 -17.533 208 2HB HIS 27 3HB HIS 27 8.321 2.681 -17.613 209 HD1 HIS 27 HD1 HIS 27 7.316 2.671 -19.897 210 HD2 HIS 27 HD2 HIS 27 11.501 2.915 -20.021 211 HE1 HIS 27 HE1 HIS 27 7.963 2.602 -22.364 212 H LYS 28 HN LYS 28 10.463 6.159 -15.778 213 HA LYS 28 HA LYS 28 8.621 5.642 -13.720 214 1HB LYS 28 2HB LYS 28 9.773 4.482 -12.132 215 2HB LYS 28 3HB LYS 28 10.445 3.733 -13.566 216 1HG LYS 28 2HG LYS 28 12.201 5.768 -13.374 217 2HG LYS 28 3HG LYS 28 11.711 5.729 -11.693 218 1HD LYS 28 2HD LYS 28 12.855 3.398 -13.299 219 2HD LYS 28 3HD LYS 28 13.671 4.277 -12.021 220 1HE LYS 28 2HE LYS 28 12.109 3.448 -10.341 221 2HE LYS 28 3HE LYS 28 11.054 2.776 -11.567 222 1HZ LYS 28 1HZ LYS 28 12.482 1.118 -10.570 223 2HZ LYS 28 2HZ LYS 28 12.790 1.252 -12.169 224 3HZ LYS 28 3HZ LYS 28 13.819 1.905 -11.081 225 H VAL 29 HN VAL 29 8.278 7.579 -12.755 226 HA VAL 29 HA VAL 29 9.970 9.755 -13.463 227 HB VAL 29 HB VAL 29 8.379 11.086 -12.245 228 1HG1 VAL 29 1HG1 VAL 29 6.500 9.118 -13.434 229 2HG1 VAL 29 2HG1 VAL 29 6.704 10.857 -13.758 230 3HG1 VAL 29 3HG1 VAL 29 7.821 9.678 -14.487 231 1HG2 VAL 29 1HG2 VAL 29 6.873 8.632 -11.355 232 2HG2 VAL 29 2HG2 VAL 29 8.197 9.291 -10.365 233 3HG2 VAL 29 3HG2 VAL 29 6.780 10.301 -10.743 234 H TYR 30 HN TYR 30 11.398 10.947 -12.163 235 HA TYR 30 HA TYR 30 12.068 9.636 -9.614 236 1HB TYR 30 2HB TYR 30 13.585 10.801 -11.977 237 2HB TYR 30 3HB TYR 30 14.320 11.009 -10.400 238 HD1 TYR 30 HD1 TYR 30 12.395 8.010 -10.506 239 HD2 TYR 30 HD2 TYR 30 16.176 9.661 -11.637 240 HE1 TYR 30 HE1 TYR 30 13.380 5.670 -10.657 241 HE2 TYR 30 HE2 TYR 30 17.149 7.316 -11.783 242 HH TYR 30 HH TYR 30 16.746 5.196 -11.687 243 H ASP 31 HN ASP 31 11.155 10.888 -8.030 244 HA ASP 31 HA ASP 31 10.828 13.657 -8.389 245 1HB ASP 31 2HB ASP 31 9.297 12.419 -6.957 246 2HB ASP 31 3HB ASP 31 10.615 11.810 -5.974 247 H LEU 32 HN LEU 32 13.169 14.190 -8.888 248 HA LEU 32 HA LEU 32 14.958 13.978 -6.599 249 1HB LEU 32 2HB LEU 32 16.712 14.517 -8.130 250 2HB LEU 32 3HB LEU 32 15.741 13.212 -8.780 251 HG LEU 32 HG LEU 32 14.698 15.687 -9.781 252 1HD1 LEU 32 1HD1 LEU 32 17.466 15.487 -10.805 253 2HD1 LEU 32 2HD1 LEU 32 16.434 16.910 -10.533 254 3HD1 LEU 32 3HD1 LEU 32 17.289 16.156 -9.166 255 1HD2 LEU 32 1HD2 LEU 32 16.012 13.245 -10.957 256 2HD2 LEU 32 2HD2 LEU 32 14.305 13.745 -11.012 257 3HD2 LEU 32 3HD2 LEU 32 15.520 14.620 -11.974 258 H THR 33 HN THR 33 12.677 15.674 -6.283 259 HA THR 33 HA THR 33 13.186 18.341 -6.947 260 HB THR 33 HB THR 33 11.667 17.170 -4.556 261 HG1 THR 33 HG1 THR 33 10.437 16.399 -6.223 262 1HG2 THR 33 1HG2 THR 33 10.620 19.475 -6.130 263 2HG2 THR 33 2HG2 THR 33 10.615 19.215 -4.370 264 3HG2 THR 33 3HG2 THR 33 12.074 19.844 -5.172 265 H LYS 34 HN LYS 34 13.920 16.530 -3.894 266 HA LYS 34 HA LYS 34 15.237 18.741 -2.739 267 1HB LYS 34 2HB LYS 34 15.774 15.891 -1.947 268 2HB LYS 34 3HB LYS 34 15.672 17.323 -0.942 269 1HG LYS 34 2HG LYS 34 13.498 16.830 -0.532 270 2HG LYS 34 3HG LYS 34 13.142 17.144 -2.219 271 1HD LYS 34 2HD LYS 34 14.271 14.576 -2.278 272 2HD LYS 34 3HD LYS 34 13.337 14.564 -0.795 273 1HE LYS 34 2HE LYS 34 11.987 15.758 -3.194 274 2HE LYS 34 3HE LYS 34 12.258 14.028 -3.244 275 1HZ LYS 34 1HZ LYS 34 10.883 13.694 -1.498 276 2HZ LYS 34 2HZ LYS 34 11.162 15.147 -0.806 277 3HZ LYS 34 3HZ LYS 34 10.173 15.036 -2.101 278 H TYR 35 HN TYR 35 16.267 15.969 -4.768 279 HA TYR 35 HA TYR 35 19.041 16.789 -4.533 280 1HB TYR 35 2HB TYR 35 18.193 14.374 -4.561 281 2HB TYR 35 3HB TYR 35 17.526 14.649 -6.157 282 HD1 TYR 35 HD1 TYR 35 18.911 14.575 -8.123 283 HD2 TYR 35 HD2 TYR 35 20.674 14.323 -4.232 284 HE1 TYR 35 HE1 TYR 35 21.117 13.852 -9.160 285 HE2 TYR 35 HE2 TYR 35 22.873 13.601 -5.283 286 HH TYR 35 HH TYR 35 23.283 13.592 -8.778 287 H LEU 36 HN LEU 36 16.723 18.374 -5.947 288 HA LEU 36 HA LEU 36 17.431 18.295 -8.701 289 1HB LEU 36 2HB LEU 36 15.214 18.893 -8.054 290 2HB LEU 36 3HB LEU 36 15.790 20.184 -7.017 291 HG LEU 36 HG LEU 36 14.768 20.894 -9.209 292 1HD1 LEU 36 1HD1 LEU 36 17.071 21.879 -7.844 293 2HD1 LEU 36 2HD1 LEU 36 17.287 22.163 -9.588 294 3HD1 LEU 36 3HD1 LEU 36 15.838 22.780 -8.758 295 1HD2 LEU 36 1HD2 LEU 36 17.203 19.476 -10.270 296 2HD2 LEU 36 2HD2 LEU 36 15.508 19.366 -10.803 297 3HD2 LEU 36 3HD2 LEU 36 16.460 20.829 -11.157 298 H GLU 37 HN GLU 37 18.191 20.457 -5.903 299 HA GLU 37 HA GLU 37 19.989 21.929 -7.601 300 1HB GLU 37 2HB GLU 37 20.252 23.419 -5.655 301 2HB GLU 37 3HB GLU 37 18.556 23.151 -5.997 302 1HG GLU 37 2HG GLU 37 19.648 21.130 -4.144 303 2HG GLU 37 3HG GLU 37 19.828 22.759 -3.525 304 H GLU 38 HN GLU 38 20.051 19.089 -5.738 305 HA GLU 38 HA GLU 38 22.711 19.459 -4.750 306 1HB GLU 38 2HB GLU 38 20.851 18.114 -3.597 307 2HB GLU 38 3HB GLU 38 21.089 16.882 -4.822 308 1HG GLU 38 2HG GLU 38 22.618 16.057 -3.320 309 2HG GLU 38 3HG GLU 38 23.683 17.234 -4.060 310 H HIS 39 HN HIS 39 21.137 18.344 -7.656 311 HA HIS 39 HA HIS 39 22.811 16.400 -8.567 312 1HB HIS 39 2HB HIS 39 20.674 17.376 -9.587 313 2HB HIS 39 3HB HIS 39 21.696 18.600 -10.314 314 HD1 HIS 39 HD1 HIS 39 21.627 17.926 -12.747 315 HD2 HIS 39 HD2 HIS 39 22.562 14.719 -10.208 316 HE1 HIS 39 HE1 HIS 39 22.249 15.970 -14.264 317 HA PRO 40 HA PRO 40 26.593 18.539 -8.903 318 1HB PRO 40 2HB PRO 40 28.116 16.457 -9.803 319 2HB PRO 40 3HB PRO 40 27.776 16.732 -8.106 320 1HG PRO 40 2HG PRO 40 26.628 14.700 -9.920 321 2HG PRO 40 3HG PRO 40 26.633 14.730 -8.168 322 1HD PRO 40 2HD PRO 40 24.425 15.355 -9.889 323 2HD PRO 40 3HD PRO 40 24.465 15.496 -8.142 324 H GLY 41 HN GLY 41 25.150 16.759 -11.505 325 1HA GLY 41 1HA GLY 41 26.837 17.725 -13.553 326 2HA GLY 41 2HA GLY 41 25.229 17.052 -13.734 327 H GLY 42 HN GLY 42 23.380 18.617 -12.846 328 1HA GLY 42 1HA GLY 42 23.858 21.410 -12.905 329 2HA GLY 42 2HA GLY 42 23.310 20.861 -14.476 330 H GLU 43 HN GLU 43 21.947 22.581 -12.402 331 HA GLU 43 HA GLU 43 19.835 20.877 -11.471 332 1HB GLU 43 2HB GLU 43 19.038 22.827 -10.278 333 2HB GLU 43 3HB GLU 43 20.779 22.760 -10.088 334 1HG GLU 43 2HG GLU 43 21.026 24.402 -11.980 335 2HG GLU 43 3HG GLU 43 19.282 24.495 -12.110 336 H GLU 44 HN GLU 44 20.624 22.534 -14.342 337 HA GLU 44 HA GLU 44 17.867 23.131 -14.961 338 1HB GLU 44 2HB GLU 44 19.874 24.670 -15.512 339 2HB GLU 44 3HB GLU 44 20.277 23.524 -16.774 340 1HG GLU 44 2HG GLU 44 18.304 23.973 -18.005 341 2HG GLU 44 3HG GLU 44 17.448 24.588 -16.606 342 H VAL 45 HN VAL 45 20.646 21.204 -16.292 343 HA VAL 45 HA VAL 45 19.518 20.008 -18.401 344 HB VAL 45 HB VAL 45 21.678 19.399 -18.064 345 1HG1 VAL 45 1HG1 VAL 45 22.161 18.258 -15.613 346 2HG1 VAL 45 2HG1 VAL 45 22.461 19.962 -16.030 347 3HG1 VAL 45 3HG1 VAL 45 20.950 19.498 -15.212 348 1HG2 VAL 45 1HG2 VAL 45 20.588 16.958 -16.684 349 2HG2 VAL 45 2HG2 VAL 45 20.076 17.349 -18.343 350 3HG2 VAL 45 3HG2 VAL 45 21.798 17.083 -17.983 351 H LEU 46 HN LEU 46 18.644 19.568 -14.999 352 HA LEU 46 HA LEU 46 17.070 17.221 -15.568 353 1HB LEU 46 2HB LEU 46 16.939 18.794 -13.024 354 2HB LEU 46 3HB LEU 46 16.727 17.073 -13.283 355 HG LEU 46 HG LEU 46 19.417 18.269 -13.833 356 1HD1 LEU 46 1HD1 LEU 46 18.554 17.529 -11.030 357 2HD1 LEU 46 2HD1 LEU 46 20.099 18.237 -11.559 358 3HD1 LEU 46 3HD1 LEU 46 18.606 19.203 -11.635 359 1HD2 LEU 46 1HD2 LEU 46 18.254 15.607 -13.249 360 2HD2 LEU 46 2HD2 LEU 46 19.611 16.071 -14.303 361 3HD2 LEU 46 3HD2 LEU 46 19.854 15.942 -12.545 362 H ARG 47 HN ARG 47 16.361 20.563 -14.313 363 HA ARG 47 HA ARG 47 13.656 20.348 -14.574 364 1HB ARG 47 2HB ARG 47 15.481 22.789 -14.805 365 2HB ARG 47 3HB ARG 47 13.736 22.917 -14.703 366 1HG ARG 47 2HG ARG 47 14.024 21.382 -12.552 367 2HG ARG 47 3HG ARG 47 15.686 21.935 -12.603 368 1HD ARG 47 2HD ARG 47 13.291 23.831 -12.630 369 2HD ARG 47 3HD ARG 47 14.120 23.352 -11.163 370 HE ARG 47 HE ARG 47 15.882 24.429 -13.266 371 1HH1 ARG 47 1HH1 ARG 47 16.538 27.317 -11.420 372 2HH1 ARG 47 2HH1 ARG 47 16.995 26.368 -12.794 373 1HH2 ARG 47 1HH2 ARG 47 14.795 26.619 -10.056 374 2HH2 ARG 47 2HH2 ARG 47 13.951 25.149 -10.413 375 H GLU 48 HN GLU 48 16.053 21.843 -16.874 376 HA GLU 48 HA GLU 48 14.556 22.758 -18.805 377 1HB GLU 48 2HB GLU 48 17.064 22.538 -18.823 378 2HB GLU 48 3HB GLU 48 16.892 20.864 -19.314 379 1HG GLU 48 2HG GLU 48 17.176 21.949 -21.382 380 2HG GLU 48 3HG GLU 48 15.432 21.814 -21.282 381 H GLN 49 HN GLN 49 15.171 19.239 -18.259 382 HA GLN 49 HA GLN 49 12.836 18.748 -19.924 383 1HB GLN 49 2HB GLN 49 13.963 16.681 -20.798 384 2HB GLN 49 3HB GLN 49 14.737 18.165 -21.314 385 1HG GLN 49 2HG GLN 49 16.336 17.893 -19.313 386 2HG GLN 49 3HG GLN 49 15.657 16.293 -19.090 387 1HE2 GLN 49 1HE2 GLN 49 15.507 14.976 -21.179 388 2HE2 GLN 49 2HE2 GLN 49 16.916 14.951 -22.187 389 H ALA 50 HN ALA 50 12.585 19.051 -17.206 390 HA ALA 50 HA ALA 50 13.049 16.683 -15.746 391 1HB ALA 50 1HB ALA 50 12.766 18.427 -14.303 392 2HB ALA 50 2HB ALA 50 11.656 19.288 -15.397 393 3HB ALA 50 3HB ALA 50 11.053 17.948 -14.393 394 H GLY 51 HN GLY 51 9.732 17.980 -15.981 395 1HA GLY 51 1HA GLY 51 8.367 15.663 -15.852 396 2HA GLY 51 2HA GLY 51 7.812 17.061 -16.750 397 H GLY 52 HN GLY 52 10.083 16.981 -18.709 398 1HA GLY 52 1HA GLY 52 8.900 15.424 -20.700 399 2HA GLY 52 2HA GLY 52 10.514 16.107 -20.733 400 H ASP 53 HN ASP 53 11.648 14.355 -21.605 401 HA ASP 53 HA ASP 53 11.665 12.005 -19.884 402 1HB ASP 53 2HB ASP 53 10.519 11.444 -21.986 403 2HB ASP 53 3HB ASP 53 11.814 12.151 -22.929 404 H ALA 54 HN ALA 54 13.703 12.010 -18.916 405 HA ALA 54 HA ALA 54 15.953 12.941 -20.563 406 1HB ALA 54 1HB ALA 54 15.982 12.808 -17.547 407 2HB ALA 54 2HB ALA 54 16.916 13.858 -18.639 408 3HB ALA 54 3HB ALA 54 15.184 14.169 -18.370 409 H THR 55 HN THR 55 14.628 10.223 -20.468 410 HA THR 55 HA THR 55 16.042 8.426 -18.918 411 HB THR 55 HB THR 55 14.721 8.273 -21.668 412 HG1 THR 55 HG1 THR 55 14.133 7.215 -18.997 413 1HG2 THR 55 1HG2 THR 55 16.544 6.372 -20.784 414 2HG2 THR 55 2HG2 THR 55 15.032 5.794 -20.047 415 3HG2 THR 55 3HG2 THR 55 15.137 6.010 -21.811 416 H GLU 56 HN GLU 56 16.719 9.037 -22.430 417 HA GLU 56 HA GLU 56 19.179 7.779 -22.296 418 1HB GLU 56 2HB GLU 56 18.159 9.886 -24.252 419 2HB GLU 56 3HB GLU 56 19.594 8.912 -24.509 420 1HG GLU 56 2HG GLU 56 17.353 7.190 -23.782 421 2HG GLU 56 3HG GLU 56 16.894 8.223 -25.122 422 H ASN 57 HN ASN 57 18.187 11.195 -21.821 423 HA ASN 57 HA ASN 57 20.712 12.297 -21.892 424 1HB ASN 57 2HB ASN 57 18.025 13.051 -20.805 425 2HB ASN 57 3HB ASN 57 19.374 13.882 -20.057 426 1HD2 ASN 57 1HD2 ASN 57 20.773 15.152 -21.309 427 2HD2 ASN 57 2HD2 ASN 57 20.308 15.804 -22.844 428 H PHE 58 HN PHE 58 19.121 10.206 -19.593 429 HA PHE 58 HA PHE 58 20.860 11.034 -17.410 430 1HB PHE 58 2HB PHE 58 18.619 10.631 -16.679 431 2HB PHE 58 3HB PHE 58 18.365 9.363 -17.862 432 HD1 PHE 58 HD1 PHE 58 19.325 10.119 -14.483 433 HD2 PHE 58 HD2 PHE 58 19.424 7.106 -17.471 434 HE1 PHE 58 HE1 PHE 58 19.763 8.386 -12.722 435 HE2 PHE 58 HE2 PHE 58 19.864 5.373 -15.709 436 HZ PHE 58 HZ PHE 58 20.027 6.033 -13.355 437 H GLU 59 HN GLU 59 20.146 8.250 -19.582 438 HA GLU 59 HA GLU 59 22.055 6.611 -18.265 439 1HB GLU 59 2HB GLU 59 20.523 6.303 -20.882 440 2HB GLU 59 3HB GLU 59 21.602 5.074 -20.252 441 1HG GLU 59 2HG GLU 59 20.167 5.340 -18.032 442 2HG GLU 59 3HG GLU 59 18.976 6.053 -19.102 443 H ASP 60 HN ASP 60 21.957 8.793 -21.088 444 HA ASP 60 HA ASP 60 24.210 7.915 -22.373 445 1HB ASP 60 2HB ASP 60 22.581 9.631 -23.218 446 2HB ASP 60 3HB ASP 60 23.205 10.783 -22.053 447 H VAL 61 HN VAL 61 23.730 10.269 -19.665 448 HA VAL 61 HA VAL 61 26.450 11.045 -19.528 449 HB VAL 61 HB VAL 61 25.803 12.207 -17.558 450 1HG1 VAL 61 1HG1 VAL 61 23.413 13.087 -18.406 451 2HG1 VAL 61 2HG1 VAL 61 24.938 13.503 -19.222 452 3HG1 VAL 61 3HG1 VAL 61 23.914 12.196 -19.863 453 1HG2 VAL 61 1HG2 VAL 61 23.046 11.339 -17.262 454 2HG2 VAL 61 2HG2 VAL 61 24.179 9.983 -17.041 455 3HG2 VAL 61 3HG2 VAL 61 24.342 11.451 -16.047 456 H GLY 62 HN GLY 62 24.730 8.183 -18.648 457 1HA GLY 62 1HA GLY 62 25.328 6.330 -17.529 458 2HA GLY 62 2HA GLY 62 26.992 6.822 -17.774 459 H HIS 63 HN HIS 63 24.158 7.062 -15.595 460 HA HIS 63 HA HIS 63 25.505 8.569 -13.625 461 1HB HIS 63 2HB HIS 63 22.954 6.975 -13.723 462 2HB HIS 63 3HB HIS 63 23.543 7.608 -12.198 463 HD1 HIS 63 HD1 HIS 63 22.882 9.007 -15.719 464 HD2 HIS 63 HD2 HIS 63 22.574 10.099 -11.681 465 HE1 HIS 63 HE1 HIS 63 21.828 11.331 -15.685 466 H SER 64 HN SER 64 26.592 7.914 -11.749 467 HA SER 64 HA SER 64 27.711 5.307 -11.935 468 1HB SER 64 2HB SER 64 28.105 7.684 -10.095 469 2HB SER 64 3HB SER 64 28.835 6.139 -9.707 470 HG SER 64 HG SER 64 29.424 7.942 -11.823 471 H THR 65 HN THR 65 27.928 4.019 -9.713 472 HA THR 65 HA THR 65 25.434 3.056 -9.033 473 HB THR 65 HB THR 65 28.246 2.910 -7.960 474 HG1 THR 65 HG1 THR 65 27.429 0.583 -8.267 475 1HG2 THR 65 1HG2 THR 65 26.641 3.028 -5.919 476 2HG2 THR 65 2HG2 THR 65 25.903 1.541 -6.561 477 3HG2 THR 65 3HG2 THR 65 27.614 1.545 -6.072 478 H ASP 66 HN ASP 66 27.412 5.576 -7.371 479 HA ASP 66 HA ASP 66 26.069 5.917 -5.127 480 1HB ASP 66 2HB ASP 66 26.725 8.256 -6.973 481 2HB ASP 66 3HB ASP 66 26.661 8.293 -5.222 482 H ALA 67 HN ALA 67 25.070 6.979 -8.432 483 HA ALA 67 HA ALA 67 22.782 8.404 -7.597 484 1HB ALA 67 1HB ALA 67 24.087 8.563 -9.799 485 2HB ALA 67 2HB ALA 67 23.232 7.082 -10.291 486 3HB ALA 67 3HB ALA 67 22.312 8.561 -9.929 487 H ARG 68 HN ARG 68 23.370 5.028 -8.754 488 HA ARG 68 HA ARG 68 20.916 4.118 -9.063 489 1HB ARG 68 2HB ARG 68 23.444 2.980 -8.580 490 2HB ARG 68 3HB ARG 68 22.449 2.287 -7.315 491 1HG ARG 68 2HG ARG 68 22.076 0.765 -9.053 492 2HG ARG 68 3HG ARG 68 20.714 1.846 -9.263 493 1HD ARG 68 2HD ARG 68 22.882 3.009 -10.726 494 2HD ARG 68 3HD ARG 68 22.904 1.297 -11.102 495 HE ARG 68 HE ARG 68 20.220 2.477 -11.202 496 1HH1 ARG 68 1HH1 ARG 68 20.099 2.337 -14.687 497 2HH1 ARG 68 2HH1 ARG 68 19.184 2.581 -13.237 498 1HH2 ARG 68 1HH2 ARG 68 22.376 1.906 -14.564 499 2HH2 ARG 68 2HH2 ARG 68 23.160 1.827 -13.022 500 H GLU 69 HN GLU 69 22.588 4.606 -5.888 501 HA GLU 69 HA GLU 69 20.511 3.553 -4.357 502 1HB GLU 69 2HB GLU 69 23.035 5.023 -3.908 503 2HB GLU 69 3HB GLU 69 21.814 5.384 -2.704 504 1HG GLU 69 2HG GLU 69 21.465 2.860 -2.433 505 2HG GLU 69 3HG GLU 69 22.859 2.621 -3.469 506 H LEU 70 HN LEU 70 21.462 6.989 -5.082 507 HA LEU 70 HA LEU 70 19.378 8.192 -3.733 508 1HB LEU 70 2HB LEU 70 21.168 8.954 -5.998 509 2HB LEU 70 3HB LEU 70 19.798 9.982 -5.628 510 HG LEU 70 HG LEU 70 20.661 10.678 -3.615 511 1HD1 LEU 70 1HD1 LEU 70 20.922 8.763 -2.346 512 2HD1 LEU 70 2HD1 LEU 70 22.031 8.007 -3.514 513 3HD1 LEU 70 3HD1 LEU 70 22.596 9.350 -2.491 514 1HD2 LEU 70 1HD2 LEU 70 22.647 10.383 -5.730 515 2HD2 LEU 70 2HD2 LEU 70 22.273 11.777 -4.690 516 3HD2 LEU 70 3HD2 LEU 70 23.381 10.509 -4.113 517 H SER 71 HN SER 71 19.553 7.703 -7.333 518 HA SER 71 HA SER 71 17.203 8.402 -8.127 519 1HB SER 71 2HB SER 71 18.429 5.683 -8.771 520 2HB SER 71 3HB SER 71 17.181 6.457 -9.726 521 HG SER 71 HG SER 71 18.595 7.991 -10.446 522 H LYS 72 HN LYS 72 17.718 5.079 -6.716 523 HA LYS 72 HA LYS 72 15.037 4.381 -6.653 524 1HB LYS 72 2HB LYS 72 17.563 3.335 -5.719 525 2HB LYS 72 3HB LYS 72 16.336 3.103 -4.491 526 1HG LYS 72 2HG LYS 72 14.952 2.430 -6.807 527 2HG LYS 72 3HG LYS 72 16.568 1.867 -7.180 528 1HD LYS 72 2HD LYS 72 16.490 0.811 -4.755 529 2HD LYS 72 3HD LYS 72 14.756 1.018 -4.902 530 1HE LYS 72 2HE LYS 72 14.615 -0.843 -6.188 531 2HE LYS 72 3HE LYS 72 15.695 -0.134 -7.372 532 1HZ LYS 72 1HZ LYS 72 16.993 -1.092 -5.007 533 2HZ LYS 72 2HZ LYS 72 16.281 -2.259 -5.899 534 3HZ LYS 72 3HZ LYS 72 17.406 -1.287 -6.575 535 H THR 73 HN THR 73 17.117 5.702 -3.978 536 HA THR 73 HA THR 73 15.121 5.925 -2.088 537 HB THR 73 HB THR 73 17.844 6.961 -2.612 538 HG1 THR 73 HG1 THR 73 16.239 6.419 -0.216 539 1HG2 THR 73 1HG2 THR 73 16.638 9.156 -2.212 540 2HG2 THR 73 2HG2 THR 73 15.991 8.478 -0.700 541 3HG2 THR 73 3HG2 THR 73 17.744 8.725 -0.886 542 H TYR 74 HN TYR 74 15.787 7.955 -4.924 543 HA TYR 74 HA TYR 74 13.756 9.848 -3.998 544 1HB TYR 74 2HB TYR 74 15.940 9.689 -6.143 545 2HB TYR 74 3HB TYR 74 14.703 10.924 -6.260 546 HD1 TYR 74 HD1 TYR 74 17.603 9.737 -4.315 547 HD2 TYR 74 HD2 TYR 74 14.674 12.827 -4.747 548 HE1 TYR 74 HE1 TYR 74 18.942 11.235 -2.757 549 HE2 TYR 74 HE2 TYR 74 16.024 14.313 -3.189 550 HH TYR 74 HH TYR 74 19.200 13.315 -2.047 551 H ILE 75 HN ILE 75 12.872 7.194 -4.718 552 HA ILE 75 HA ILE 75 11.535 7.789 -7.267 553 HB ILE 75 HB ILE 75 13.186 5.699 -6.761 554 1HG1 ILE 75 2HG1 ILE 75 12.462 6.369 -8.958 555 2HG1 ILE 75 3HG1 ILE 75 12.173 4.653 -8.757 556 1HG2 ILE 75 1HG2 ILE 75 11.733 4.726 -5.070 557 2HG2 ILE 75 2HG2 ILE 75 10.377 4.697 -6.222 558 3HG2 ILE 75 3HG2 ILE 75 11.809 3.679 -6.509 559 1HD1 ILE 75 1HD1 ILE 75 10.125 5.295 -9.651 560 2HD1 ILE 75 2HD1 ILE 75 9.768 5.493 -7.918 561 3HD1 ILE 75 3HD1 ILE 75 10.190 6.912 -8.908 562 H ILE 76 HN ILE 76 9.290 7.634 -7.361 563 HA ILE 76 HA ILE 76 8.000 7.028 -4.793 564 HB ILE 76 HB ILE 76 6.537 8.823 -5.030 565 1HG1 ILE 76 2HG1 ILE 76 6.264 8.390 -7.564 566 2HG1 ILE 76 3HG1 ILE 76 6.026 10.015 -6.950 567 1HG2 ILE 76 1HG2 ILE 76 9.342 9.641 -5.800 568 2HG2 ILE 76 2HG2 ILE 76 8.065 10.815 -5.400 569 3HG2 ILE 76 3HG2 ILE 76 8.592 9.624 -4.187 570 1HD1 ILE 76 1HD1 ILE 76 7.422 10.312 -8.851 571 2HD1 ILE 76 2HD1 ILE 76 8.549 10.396 -7.477 572 3HD1 ILE 76 3HD1 ILE 76 8.428 8.904 -8.440 573 H GLY 77 HN GLY 77 7.910 6.972 -8.375 574 1HA GLY 77 1HA GLY 77 6.641 4.487 -8.500 575 2HA GLY 77 2HA GLY 77 5.401 5.716 -8.642 576 H GLU 78 HN GLU 78 5.042 4.964 -10.869 577 HA GLU 78 HA GLU 78 7.071 6.078 -12.642 578 1HB GLU 78 2HB GLU 78 6.542 4.276 -14.277 579 2HB GLU 78 3HB GLU 78 7.200 3.637 -12.783 580 1HG GLU 78 2HG GLU 78 5.189 2.664 -12.138 581 2HG GLU 78 3HG GLU 78 4.214 3.904 -12.903 582 H LEU 79 HN LEU 79 6.052 6.492 -14.944 583 HA LEU 79 HA LEU 79 3.442 7.733 -14.457 584 1HB LEU 79 2HB LEU 79 4.124 9.507 -15.603 585 2HB LEU 79 3HB LEU 79 5.734 8.899 -15.270 586 HG LEU 79 HG LEU 79 5.746 9.449 -17.547 587 1HD1 LEU 79 1HD1 LEU 79 6.010 6.743 -16.756 588 2HD1 LEU 79 2HD1 LEU 79 5.229 6.747 -18.356 589 3HD1 LEU 79 3HD1 LEU 79 6.785 7.579 -18.123 590 1HD2 LEU 79 1HD2 LEU 79 3.739 9.814 -18.466 591 2HD2 LEU 79 2HD2 LEU 79 3.817 8.103 -18.953 592 3HD2 LEU 79 3HD2 LEU 79 2.944 8.568 -17.473 593 H HIS 80 HN HIS 80 1.728 7.446 -15.960 594 HA HIS 80 HA HIS 80 1.210 5.005 -16.839 595 1HB HIS 80 2HB HIS 80 -0.134 7.261 -16.939 596 2HB HIS 80 3HB HIS 80 0.418 7.306 -18.601 597 HD1 HIS 80 HD1 HIS 80 -2.558 7.066 -18.189 598 HD2 HIS 80 HD2 HIS 80 -0.040 3.718 -18.411 599 HE1 HIS 80 HE1 HIS 80 -4.039 5.101 -18.864 600 HA PRO 81 HA PRO 81 4.356 4.481 -19.885 601 1HB PRO 81 2HB PRO 81 4.316 1.749 -19.903 602 2HB PRO 81 3HB PRO 81 5.311 2.685 -18.806 603 1HG PRO 81 2HG PRO 81 2.811 1.212 -18.242 604 2HG PRO 81 3HG PRO 81 4.027 1.783 -17.116 605 1HD PRO 81 2HD PRO 81 1.462 2.965 -17.619 606 2HD PRO 81 3HD PRO 81 2.723 3.599 -16.580 607 H ASP 82 HN ASP 82 1.090 3.947 -19.942 608 HA ASP 82 HA ASP 82 1.043 2.690 -22.484 609 1HB ASP 82 2HB ASP 82 -0.771 3.071 -20.407 610 2HB ASP 82 3HB ASP 82 -1.367 4.195 -21.613 611 H ASP 83 HN ASP 83 0.991 5.980 -21.112 612 HA ASP 83 HA ASP 83 0.342 7.077 -23.712 613 1HB ASP 83 2HB ASP 83 0.667 8.364 -20.961 614 2HB ASP 83 3HB ASP 83 0.305 9.270 -22.416 615 H ARG 84 HN ARG 84 2.983 6.277 -21.615 616 HA ARG 84 HA ARG 84 4.705 8.374 -22.097 617 1HB ARG 84 2HB ARG 84 4.866 6.310 -20.460 618 2HB ARG 84 3HB ARG 84 5.646 5.495 -21.801 619 1HG ARG 84 2HG ARG 84 6.638 8.246 -21.065 620 2HG ARG 84 3HG ARG 84 7.049 6.919 -19.996 621 1HD ARG 84 2HD ARG 84 7.583 5.831 -22.510 622 2HD ARG 84 3HD ARG 84 8.039 7.509 -22.730 623 HE ARG 84 HE ARG 84 9.159 6.767 -20.265 624 1HH1 ARG 84 1HH1 ARG 84 12.137 5.337 -21.390 625 2HH1 ARG 84 2HH1 ARG 84 11.313 6.038 -20.038 626 1HH2 ARG 84 1HH2 ARG 84 11.053 5.137 -23.433 627 2HH2 ARG 84 2HH2 ARG 84 9.420 5.689 -23.604 628 H SER 85 HN SER 85 3.486 5.901 -24.196 629 HA SER 85 HA SER 85 5.734 6.292 -26.006 630 1HB SER 85 2HB SER 85 3.579 4.135 -26.087 631 2HB SER 85 3HB SER 85 4.983 4.227 -27.131 632 HG SER 85 HG SER 85 4.817 3.517 -24.370 633 H LYS 86 HN LYS 86 3.837 8.396 -25.685 634 HA LYS 86 HA LYS 86 2.016 8.107 -27.940 635 1HB LYS 86 2HB LYS 86 1.381 9.022 -25.601 636 2HB LYS 86 3HB LYS 86 2.206 10.487 -26.096 637 1HG LYS 86 2HG LYS 86 0.615 11.017 -27.699 638 2HG LYS 86 3HG LYS 86 0.280 9.341 -28.086 639 1HD LYS 86 2HD LYS 86 -1.070 9.061 -26.077 640 2HD LYS 86 3HD LYS 86 -0.560 10.612 -25.443 641 1HE LYS 86 2HE LYS 86 -1.652 11.725 -27.454 642 2HE LYS 86 3HE LYS 86 -2.267 10.156 -27.935 643 1HZ LYS 86 1HZ LYS 86 -3.573 10.039 -26.037 644 2HZ LYS 86 2HZ LYS 86 -2.774 11.232 -25.261 645 3HZ LYS 86 3HZ LYS 86 -3.745 11.589 -26.524 646 H ILE 87 HN ILE 87 5.182 9.208 -27.182 647 HA ILE 87 HA ILE 87 5.231 11.377 -29.039 648 HB ILE 87 HB ILE 87 7.277 9.887 -27.424 649 1HG1 ILE 87 2HG1 ILE 87 7.396 12.666 -27.015 650 2HG1 ILE 87 3HG1 ILE 87 5.686 12.297 -27.124 651 1HG2 ILE 87 1HG2 ILE 87 7.761 11.265 -29.911 652 2HG2 ILE 87 2HG2 ILE 87 8.537 12.129 -28.563 653 3HG2 ILE 87 3HG2 ILE 87 8.900 10.409 -28.843 654 1HD1 ILE 87 1HD1 ILE 87 6.236 10.297 -25.510 655 2HD1 ILE 87 2HD1 ILE 87 7.734 11.201 -25.178 656 3HD1 ILE 87 3HD1 ILE 87 6.153 11.944 -24.838 657 H ALA 88 HN ALA 88 6.459 7.963 -29.007 658 HA ALA 88 HA ALA 88 7.662 7.858 -31.419 659 1HB ALA 88 1HB ALA 88 7.790 5.746 -30.664 660 2HB ALA 88 2HB ALA 88 6.434 6.025 -29.546 661 3HB ALA 88 3HB ALA 88 6.116 5.488 -31.212 662 HHA HEM 95 HA HEM 95 26.956 13.101 -13.051 663 HHB HEM 95 HB HEM 95 22.879 11.156 -8.609 664 HHC HEM 95 HC HEM 95 18.032 12.727 -12.446 665 HHD HEM 95 HD HEM 95 22.162 14.712 -16.818 666 1HMA HEM 95 1HMA HEM 95 25.776 11.582 -7.642 667 2HMA HEM 95 2HMA HEM 95 26.380 10.103 -8.488 668 3HMA HEM 95 3HMA HEM 95 24.653 10.210 -8.028 669 1HAA HEM 95 1HAA HEM 95 27.618 10.572 -11.466 670 2HAA HEM 95 2HAA HEM 95 27.878 11.093 -9.703 671 1HBA HEM 95 1HBA HEM 95 29.601 11.938 -10.109 672 2HBA HEM 95 2HBA HEM 95 28.608 13.328 -10.674 673 1HMB HEM 95 1HMB HEM 95 20.123 11.740 -7.173 674 2HMB HEM 95 2HMB HEM 95 21.172 10.374 -7.741 675 3HMB HEM 95 3HMB HEM 95 19.401 10.217 -7.850 676 HAB HEM 95 HAB HEM 95 17.406 12.589 -9.664 677 1HBB HEM 95 HBB HEM 95 17.525 9.508 -9.751 678 2HBB HEM 95 HBB HEM 95 16.049 10.637 -9.482 679 1HMC HEM 95 1HMC HEM 95 16.903 14.367 -14.571 680 2HMC HEM 95 2HMC HEM 95 17.113 12.580 -14.347 681 3HMC HEM 95 3HMC HEM 95 17.186 13.284 -15.990 682 HAC HEM 95 HAC HEM 95 20.380 14.697 -17.707 683 1HBC HEM 95 HBC HEM 95 17.622 15.484 -16.562 684 2HBC HEM 95 HBC HEM 95 18.303 15.808 -18.283 685 1HMD HEM 95 1HMD HEM 95 24.562 16.398 -16.939 686 2HMD HEM 95 2HMD HEM 95 24.294 14.892 -17.914 687 3HMD HEM 95 3HMD HEM 95 25.968 15.397 -17.464 688 1HAD HEM 95 1HAD HEM 95 27.803 14.284 -14.260 689 2HAD HEM 95 2HAD HEM 95 27.436 15.429 -15.578 690 1HBD HEM 95 1HBD HEM 95 27.393 13.325 -17.171 691 2HBD HEM 95 2HBD HEM 95 28.116 12.422 -15.828 Start of MODEL 19 1 H VAL 4 HN VAL 4 2.166 -0.814 -8.481 2 HA VAL 4 HA VAL 4 3.765 1.300 -7.298 3 HB VAL 4 HB VAL 4 4.249 -0.363 -9.334 4 1HG1 VAL 4 1HG1 VAL 4 3.545 2.070 -10.927 5 2HG1 VAL 4 2HG1 VAL 4 3.665 0.366 -11.428 6 3HG1 VAL 4 3HG1 VAL 4 2.244 0.927 -10.515 7 1HG2 VAL 4 1HG2 VAL 4 5.373 2.277 -9.936 8 2HG2 VAL 4 2HG2 VAL 4 5.466 1.854 -8.209 9 3HG2 VAL 4 3HG2 VAL 4 6.181 0.773 -9.430 10 H LYS 5 HN LYS 5 3.614 3.516 -8.510 11 HA LYS 5 HA LYS 5 0.754 4.143 -8.726 12 1HB LYS 5 2HB LYS 5 2.969 5.380 -7.264 13 2HB LYS 5 3HB LYS 5 2.099 6.529 -8.261 14 1HG LYS 5 2HG LYS 5 0.441 4.591 -6.668 15 2HG LYS 5 3HG LYS 5 1.279 5.839 -5.767 16 1HD LYS 5 2HD LYS 5 -0.806 6.842 -6.286 17 2HD LYS 5 3HD LYS 5 0.281 7.523 -7.480 18 1HE LYS 5 2HE LYS 5 -0.450 5.650 -9.075 19 2HE LYS 5 3HE LYS 5 -1.670 5.212 -7.897 20 1HZ LYS 5 1HZ LYS 5 -1.483 7.978 -8.788 21 2HZ LYS 5 2HZ LYS 5 -2.225 6.879 -9.741 22 3HZ LYS 5 3HZ LYS 5 -2.784 7.162 -8.233 23 H TYR 6 HN TYR 6 0.031 4.640 -10.720 24 HA TYR 6 HA TYR 6 2.047 5.331 -12.728 25 1HB TYR 6 2HB TYR 6 -0.911 4.465 -12.804 26 2HB TYR 6 3HB TYR 6 0.063 4.714 -14.238 27 HD1 TYR 6 HD1 TYR 6 2.589 3.396 -13.648 28 HD2 TYR 6 HD2 TYR 6 -1.389 2.198 -12.625 29 HE1 TYR 6 HE1 TYR 6 3.337 0.969 -13.554 30 HE2 TYR 6 HE2 TYR 6 -0.627 -0.226 -12.533 31 HH TYR 6 HH TYR 6 0.993 -1.616 -12.895 32 H TYR 7 HN TYR 7 2.381 7.536 -12.673 33 HA TYR 7 HA TYR 7 0.083 9.277 -12.350 34 1HB TYR 7 2HB TYR 7 3.027 9.915 -12.956 35 2HB TYR 7 3HB TYR 7 1.878 10.961 -12.145 36 HD1 TYR 7 HD1 TYR 7 4.627 8.894 -11.629 37 HD2 TYR 7 HD2 TYR 7 0.818 9.818 -9.914 38 HE1 TYR 7 HE1 TYR 7 5.427 8.035 -9.375 39 HE2 TYR 7 HE2 TYR 7 1.630 8.956 -7.664 40 HH TYR 7 HH TYR 7 4.618 7.239 -7.365 41 H THR 8 HN THR 8 -0.616 10.816 -13.902 42 HA THR 8 HA THR 8 -0.359 9.943 -16.598 43 HB THR 8 HB THR 8 -1.710 12.194 -16.869 44 HG1 THR 8 HG1 THR 8 -2.464 12.849 -14.685 45 1HG2 THR 8 1HG2 THR 8 -2.768 9.863 -16.617 46 2HG2 THR 8 2HG2 THR 8 -2.815 10.165 -14.864 47 3HG2 THR 8 3HG2 THR 8 -3.747 11.202 -15.971 48 H LEU 9 HN LEU 9 0.505 11.080 -18.413 49 HA LEU 9 HA LEU 9 3.085 12.006 -17.980 50 1HB LEU 9 2HB LEU 9 3.248 11.988 -20.211 51 2HB LEU 9 3HB LEU 9 1.751 11.086 -20.085 52 HG LEU 9 HG LEU 9 1.813 14.081 -20.505 53 1HD1 LEU 9 1HD1 LEU 9 2.439 11.940 -22.397 54 2HD1 LEU 9 2HD1 LEU 9 1.103 12.986 -22.934 55 3HD1 LEU 9 3HD1 LEU 9 2.681 13.699 -22.524 56 1HD2 LEU 9 1HD2 LEU 9 -0.261 12.478 -19.761 57 2HD2 LEU 9 2HD2 LEU 9 -0.424 14.007 -20.657 58 3HD2 LEU 9 3HD2 LEU 9 -0.421 12.458 -21.534 59 H GLU 10 HN GLU 10 0.062 13.548 -17.442 60 HA GLU 10 HA GLU 10 0.884 16.167 -18.076 61 1HB GLU 10 2HB GLU 10 -1.522 14.911 -17.429 62 2HB GLU 10 3HB GLU 10 -1.224 15.911 -16.020 63 1HG GLU 10 2HG GLU 10 -0.777 17.861 -17.642 64 2HG GLU 10 3HG GLU 10 -1.376 16.828 -18.925 65 H GLU 11 HN GLU 11 0.816 14.149 -15.090 66 HA GLU 11 HA GLU 11 1.350 16.028 -13.233 67 1HB GLU 11 2HB GLU 11 1.383 13.216 -13.384 68 2HB GLU 11 3HB GLU 11 2.985 13.627 -12.808 69 1HG GLU 11 2HG GLU 11 2.110 13.937 -10.741 70 2HG GLU 11 3HG GLU 11 1.245 15.331 -11.357 71 H ILE 12 HN ILE 12 3.956 13.962 -14.721 72 HA ILE 12 HA ILE 12 6.144 15.152 -13.851 73 HB ILE 12 HB ILE 12 6.771 14.867 -16.513 74 1HG1 ILE 12 2HG1 ILE 12 4.197 14.170 -16.604 75 2HG1 ILE 12 3HG1 ILE 12 5.420 13.413 -17.606 76 1HG2 ILE 12 1HG2 ILE 12 6.799 13.098 -14.105 77 2HG2 ILE 12 2HG2 ILE 12 7.212 12.396 -15.688 78 3HG2 ILE 12 3HG2 ILE 12 8.147 13.771 -15.052 79 1HD1 ILE 12 1HD1 ILE 12 5.048 12.228 -14.880 80 2HD1 ILE 12 2HD1 ILE 12 3.719 11.994 -16.040 81 3HD1 ILE 12 3HD1 ILE 12 5.357 11.424 -16.438 82 H GLN 13 HN GLN 13 4.222 16.405 -16.664 83 HA GLN 13 HA GLN 13 5.771 18.575 -17.185 84 1HB GLN 13 2HB GLN 13 2.750 18.233 -17.397 85 2HB GLN 13 3HB GLN 13 3.609 19.598 -18.084 86 1HG GLN 13 2HG GLN 13 4.490 16.767 -18.732 87 2HG GLN 13 3HG GLN 13 3.136 17.480 -19.585 88 1HE2 GLN 13 1HE2 GLN 13 3.782 18.069 -21.508 89 2HE2 GLN 13 2HE2 GLN 13 5.207 18.971 -21.906 90 H LYS 14 HN LYS 14 2.900 18.382 -14.961 91 HA LYS 14 HA LYS 14 2.919 20.993 -14.113 92 1HB LYS 14 2HB LYS 14 2.194 18.516 -12.519 93 2HB LYS 14 3HB LYS 14 1.708 20.156 -12.142 94 1HG LYS 14 2HG LYS 14 0.928 18.510 -14.586 95 2HG LYS 14 3HG LYS 14 -0.132 19.119 -13.331 96 1HD LYS 14 2HD LYS 14 0.508 21.483 -14.035 97 2HD LYS 14 3HD LYS 14 1.400 20.792 -15.376 98 1HE LYS 14 2HE LYS 14 -0.652 19.772 -16.285 99 2HE LYS 14 3HE LYS 14 -1.572 20.280 -14.883 100 1HZ LYS 14 1HZ LYS 14 -0.152 22.308 -16.399 101 2HZ LYS 14 2HZ LYS 14 -1.533 21.700 -17.024 102 3HZ LYS 14 3HZ LYS 14 -1.549 22.430 -15.563 103 H HIS 15 HN HIS 15 4.989 18.238 -13.152 104 HA HIS 15 HA HIS 15 6.207 19.834 -11.078 105 1HB HIS 15 2HB HIS 15 7.264 17.167 -11.933 106 2HB HIS 15 3HB HIS 15 7.198 17.885 -10.336 107 HD1 HIS 15 HD1 HIS 15 4.302 18.409 -9.813 108 HD2 HIS 15 HD2 HIS 15 5.599 15.017 -11.912 109 HE1 HIS 15 HE1 HIS 15 2.432 16.686 -9.613 110 H LYS 16 HN LYS 16 6.601 21.393 -13.125 111 HA LYS 16 HA LYS 16 9.216 20.659 -14.242 112 1HB LYS 16 2HB LYS 16 7.382 20.966 -15.887 113 2HB LYS 16 3HB LYS 16 7.162 22.611 -15.324 114 1HG LYS 16 2HG LYS 16 8.724 23.216 -16.860 115 2HG LYS 16 3HG LYS 16 9.915 22.498 -15.794 116 1HD LYS 16 2HD LYS 16 10.076 20.533 -17.052 117 2HD LYS 16 3HD LYS 16 8.431 20.644 -17.645 118 1HE LYS 16 2HE LYS 16 10.017 22.937 -18.558 119 2HE LYS 16 3HE LYS 16 10.790 21.430 -19.010 120 1HZ LYS 16 1HZ LYS 16 8.087 21.143 -19.488 121 2HZ LYS 16 2HZ LYS 16 8.517 22.591 -20.111 122 3HZ LYS 16 3HZ LYS 16 9.292 21.235 -20.588 123 H ASP 17 HN ASP 17 8.769 21.644 -11.510 124 HA ASP 17 HA ASP 17 10.387 24.025 -11.790 125 1HB ASP 17 2HB ASP 17 7.737 23.790 -10.369 126 2HB ASP 17 3HB ASP 17 8.972 24.781 -9.618 127 H SER 18 HN SER 18 11.505 24.520 -9.602 128 HA SER 18 HA SER 18 12.755 22.332 -8.630 129 1HB SER 18 2HB SER 18 12.270 25.099 -7.509 130 2HB SER 18 3HB SER 18 13.112 23.917 -6.527 131 HG SER 18 HG SER 18 14.826 24.648 -7.611 132 H LYS 19 HN LYS 19 9.881 24.060 -7.245 133 HA LYS 19 HA LYS 19 9.544 22.728 -4.924 134 1HB LYS 19 2HB LYS 19 7.810 24.133 -6.836 135 2HB LYS 19 3HB LYS 19 6.956 22.947 -5.867 136 1HG LYS 19 2HG LYS 19 6.912 24.510 -4.215 137 2HG LYS 19 3HG LYS 19 8.618 24.182 -3.987 138 1HD LYS 19 2HD LYS 19 9.150 25.945 -5.720 139 2HD LYS 19 3HD LYS 19 7.440 26.308 -5.838 140 1HE LYS 19 2HE LYS 19 8.084 26.346 -3.045 141 2HE LYS 19 3HE LYS 19 9.358 27.230 -3.861 142 1HZ LYS 19 1HZ LYS 19 7.889 28.763 -4.636 143 2HZ LYS 19 2HZ LYS 19 6.601 27.759 -4.612 144 3HZ LYS 19 3HZ LYS 19 7.169 28.394 -3.218 145 H SER 20 HN SER 20 8.561 21.603 -8.218 146 HA SER 20 HA SER 20 8.595 18.922 -7.112 147 1HB SER 20 2HB SER 20 6.543 18.382 -8.508 148 2HB SER 20 3HB SER 20 6.243 19.420 -7.128 149 HG SER 20 HG SER 20 5.283 20.049 -9.301 150 H THR 21 HN THR 21 10.455 18.248 -8.196 151 HA THR 21 HA THR 21 10.476 18.664 -11.112 152 HB THR 21 HB THR 21 12.631 18.550 -8.968 153 HG1 THR 21 HG1 THR 21 12.765 20.637 -9.738 154 1HG2 THR 21 1HG2 THR 21 13.337 18.656 -11.901 155 2HG2 THR 21 2HG2 THR 21 14.326 18.112 -10.524 156 3HG2 THR 21 3HG2 THR 21 13.053 17.054 -11.178 157 H TRP 22 HN TRP 22 9.789 16.945 -12.214 158 HA TRP 22 HA TRP 22 10.535 14.315 -11.129 159 1HB TRP 22 2HB TRP 22 7.994 15.334 -12.303 160 2HB TRP 22 3HB TRP 22 8.464 13.687 -12.677 161 HD1 TRP 22 HD1 TRP 22 9.465 14.807 -9.193 162 HE1 TRP 22 HE1 TRP 22 7.966 13.701 -7.323 163 HE3 TRP 22 HE3 TRP 22 5.992 12.890 -12.374 164 HZ2 TRP 22 HZ2 TRP 22 5.550 12.183 -7.384 165 HZ3 TRP 22 HZ3 TRP 22 4.096 11.608 -11.387 166 HH2 TRP 22 HH2 TRP 22 3.843 11.243 -8.983 167 H VAL 23 HN VAL 23 10.866 12.645 -12.900 168 HA VAL 23 HA VAL 23 11.337 13.641 -15.541 169 HB VAL 23 HB VAL 23 13.336 14.446 -14.405 170 1HG1 VAL 23 1HG1 VAL 23 13.338 12.748 -12.574 171 2HG1 VAL 23 2HG1 VAL 23 13.940 11.546 -13.741 172 3HG1 VAL 23 3HG1 VAL 23 14.927 12.972 -13.342 173 1HG2 VAL 23 1HG2 VAL 23 14.810 12.453 -15.791 174 2HG2 VAL 23 2HG2 VAL 23 13.275 12.671 -16.664 175 3HG2 VAL 23 3HG2 VAL 23 14.334 14.070 -16.362 176 H ILE 24 HN ILE 24 10.748 12.022 -16.891 177 HA ILE 24 HA ILE 24 10.180 9.459 -15.809 178 HB ILE 24 HB ILE 24 10.166 10.503 -18.642 179 1HG1 ILE 24 2HG1 ILE 24 7.748 10.015 -16.914 180 2HG1 ILE 24 3HG1 ILE 24 8.633 11.523 -16.794 181 1HG2 ILE 24 1HG2 ILE 24 10.246 7.878 -17.982 182 2HG2 ILE 24 2HG2 ILE 24 8.493 8.178 -17.909 183 3HG2 ILE 24 3HG2 ILE 24 9.396 8.530 -19.403 184 1HD1 ILE 24 1HD1 ILE 24 8.302 10.961 -19.593 185 2HD1 ILE 24 2HD1 ILE 24 6.726 10.729 -18.800 186 3HD1 ILE 24 3HD1 ILE 24 7.579 12.282 -18.644 187 H LEU 25 HN LEU 25 11.724 8.011 -15.281 188 HA LEU 25 HA LEU 25 13.987 7.787 -17.142 189 1HB LEU 25 2HB LEU 25 13.918 8.198 -14.243 190 2HB LEU 25 3HB LEU 25 14.906 6.834 -14.727 191 HG LEU 25 HG LEU 25 16.345 8.193 -16.037 192 1HD1 LEU 25 1HD1 LEU 25 15.797 10.775 -16.058 193 2HD1 LEU 25 2HD1 LEU 25 15.119 9.672 -17.278 194 3HD1 LEU 25 3HD1 LEU 25 14.125 10.188 -15.895 195 1HD2 LEU 25 1HD2 LEU 25 15.695 9.706 -13.493 196 2HD2 LEU 25 2HD2 LEU 25 16.746 8.275 -13.624 197 3HD2 LEU 25 3HD2 LEU 25 17.214 9.798 -14.416 198 H HIS 26 HN HIS 26 14.388 5.770 -17.957 199 HA HIS 26 HA HIS 26 13.703 3.748 -18.609 200 1HB HIS 26 2HB HIS 26 14.106 3.072 -15.689 201 2HB HIS 26 3HB HIS 26 14.377 2.038 -17.078 202 HD1 HIS 26 HD1 HIS 26 15.961 4.755 -15.050 203 HD2 HIS 26 HD2 HIS 26 16.777 2.578 -18.541 204 HE1 HIS 26 HE1 HIS 26 18.414 5.189 -15.605 205 H HIS 27 HN HIS 27 11.434 5.389 -18.171 206 HA HIS 27 HA HIS 27 9.249 5.202 -18.052 207 1HB HIS 27 2HB HIS 27 9.863 2.256 -17.763 208 2HB HIS 27 3HB HIS 27 8.226 2.880 -17.801 209 HD1 HIS 27 HD1 HIS 27 9.193 0.962 -20.012 210 HD2 HIS 27 HD2 HIS 27 9.375 5.143 -20.301 211 HE1 HIS 27 HE1 HIS 27 9.266 1.503 -22.505 212 H LYS 28 HN LYS 28 10.402 6.288 -15.891 213 HA LYS 28 HA LYS 28 8.550 5.736 -13.850 214 1HB LYS 28 2HB LYS 28 9.691 4.532 -12.286 215 2HB LYS 28 3HB LYS 28 10.362 3.813 -13.736 216 1HG LYS 28 2HG LYS 28 12.107 5.878 -13.466 217 2HG LYS 28 3HG LYS 28 11.642 5.709 -11.784 218 1HD LYS 28 2HD LYS 28 12.581 3.365 -13.501 219 2HD LYS 28 3HD LYS 28 13.663 4.316 -12.505 220 1HE LYS 28 2HE LYS 28 12.594 3.620 -10.470 221 2HE LYS 28 3HE LYS 28 11.175 3.034 -11.315 222 1HZ LYS 28 1HZ LYS 28 13.602 1.699 -10.799 223 2HZ LYS 28 2HZ LYS 28 12.176 1.085 -11.307 224 3HZ LYS 28 3HZ LYS 28 13.253 1.655 -12.394 225 H VAL 29 HN VAL 29 8.227 7.642 -12.815 226 HA VAL 29 HA VAL 29 9.939 9.826 -13.474 227 HB VAL 29 HB VAL 29 8.347 11.140 -12.228 228 1HG1 VAL 29 1HG1 VAL 29 6.478 9.221 -13.519 229 2HG1 VAL 29 2HG1 VAL 29 6.680 10.972 -13.763 230 3HG1 VAL 29 3HG1 VAL 29 7.812 9.832 -14.527 231 1HG2 VAL 29 1HG2 VAL 29 6.779 8.692 -11.450 232 2HG2 VAL 29 2HG2 VAL 29 8.118 9.259 -10.423 233 3HG2 VAL 29 3HG2 VAL 29 6.739 10.333 -10.761 234 H TYR 30 HN TYR 30 11.361 10.978 -12.131 235 HA TYR 30 HA TYR 30 12.008 9.591 -9.616 236 1HB TYR 30 2HB TYR 30 13.536 10.833 -11.930 237 2HB TYR 30 3HB TYR 30 14.257 11.006 -10.343 238 HD1 TYR 30 HD1 TYR 30 12.348 7.994 -10.574 239 HD2 TYR 30 HD2 TYR 30 16.143 9.706 -11.563 240 HE1 TYR 30 HE1 TYR 30 13.353 5.668 -10.775 241 HE2 TYR 30 HE2 TYR 30 17.135 7.373 -11.759 242 HH TYR 30 HH TYR 30 15.794 4.733 -10.492 243 H ASP 31 HN ASP 31 11.143 10.777 -7.967 244 HA ASP 31 HA ASP 31 10.744 13.547 -8.234 245 1HB ASP 31 2HB ASP 31 9.317 12.140 -6.795 246 2HB ASP 31 3HB ASP 31 10.695 11.688 -5.812 247 H LEU 32 HN LEU 32 13.071 14.120 -8.795 248 HA LEU 32 HA LEU 32 14.908 13.925 -6.538 249 1HB LEU 32 2HB LEU 32 16.618 14.556 -8.131 250 2HB LEU 32 3HB LEU 32 15.725 13.145 -8.663 251 HG LEU 32 HG LEU 32 14.449 15.418 -9.807 252 1HD1 LEU 32 1HD1 LEU 32 17.242 15.488 -10.805 253 2HD1 LEU 32 2HD1 LEU 32 16.028 16.784 -10.671 254 3HD1 LEU 32 3HD1 LEU 32 16.936 16.264 -9.231 255 1HD2 LEU 32 1HD2 LEU 32 16.169 13.218 -10.978 256 2HD2 LEU 32 2HD2 LEU 32 14.399 13.231 -10.798 257 3HD2 LEU 32 3HD2 LEU 32 15.185 14.352 -11.934 258 H THR 33 HN THR 33 12.635 15.590 -6.153 259 HA THR 33 HA THR 33 13.116 18.266 -6.853 260 HB THR 33 HB THR 33 11.596 17.092 -4.465 261 HG1 THR 33 HG1 THR 33 11.395 16.677 -7.118 262 1HG2 THR 33 1HG2 THR 33 10.589 19.407 -6.073 263 2HG2 THR 33 2HG2 THR 33 10.487 19.120 -4.320 264 3HG2 THR 33 3HG2 THR 33 11.989 19.757 -5.032 265 H LYS 34 HN LYS 34 13.937 16.399 -3.863 266 HA LYS 34 HA LYS 34 15.216 18.637 -2.681 267 1HB LYS 34 2HB LYS 34 15.754 15.787 -1.893 268 2HB LYS 34 3HB LYS 34 15.660 17.218 -0.887 269 1HG LYS 34 2HG LYS 34 13.486 16.736 -0.470 270 2HG LYS 34 3HG LYS 34 13.124 17.040 -2.156 271 1HD LYS 34 2HD LYS 34 14.269 14.461 -2.161 272 2HD LYS 34 3HD LYS 34 13.275 14.479 -0.719 273 1HE LYS 34 2HE LYS 34 11.979 15.683 -3.119 274 2HE LYS 34 3HE LYS 34 12.330 13.972 -3.268 275 1HZ LYS 34 1HZ LYS 34 11.311 14.069 -0.833 276 2HZ LYS 34 2HZ LYS 34 10.483 15.297 -1.520 277 3HZ LYS 34 3HZ LYS 34 10.413 13.801 -2.171 278 H TYR 35 HN TYR 35 16.238 15.879 -4.727 279 HA TYR 35 HA TYR 35 19.015 16.688 -4.491 280 1HB TYR 35 2HB TYR 35 18.161 14.276 -4.538 281 2HB TYR 35 3HB TYR 35 17.489 14.569 -6.131 282 HD1 TYR 35 HD1 TYR 35 18.862 14.492 -8.100 283 HD2 TYR 35 HD2 TYR 35 20.647 14.234 -4.220 284 HE1 TYR 35 HE1 TYR 35 21.062 13.773 -9.153 285 HE2 TYR 35 HE2 TYR 35 22.842 13.515 -5.287 286 HH TYR 35 HH TYR 35 23.513 13.926 -8.477 287 H LEU 36 HN LEU 36 16.773 18.365 -5.839 288 HA LEU 36 HA LEU 36 17.477 18.293 -8.611 289 1HB LEU 36 2HB LEU 36 15.255 18.858 -8.085 290 2HB LEU 36 3HB LEU 36 15.741 20.051 -6.898 291 HG LEU 36 HG LEU 36 14.834 21.015 -9.000 292 1HD1 LEU 36 1HD1 LEU 36 17.036 21.844 -7.492 293 2HD1 LEU 36 2HD1 LEU 36 17.514 22.106 -9.186 294 3HD1 LEU 36 3HD1 LEU 36 16.019 22.842 -8.558 295 1HD2 LEU 36 1HD2 LEU 36 17.058 19.428 -10.180 296 2HD2 LEU 36 2HD2 LEU 36 15.441 19.801 -10.820 297 3HD2 LEU 36 3HD2 LEU 36 16.727 21.029 -10.883 298 H GLU 37 HN GLU 37 18.151 20.437 -5.777 299 HA GLU 37 HA GLU 37 19.961 21.951 -7.424 300 1HB GLU 37 2HB GLU 37 20.166 23.424 -5.457 301 2HB GLU 37 3HB GLU 37 18.480 23.139 -5.841 302 1HG GLU 37 2HG GLU 37 18.111 21.841 -3.944 303 2HG GLU 37 3HG GLU 37 19.752 21.223 -3.910 304 H GLU 38 HN GLU 38 20.050 19.068 -5.678 305 HA GLU 38 HA GLU 38 22.688 19.478 -4.617 306 1HB GLU 38 2HB GLU 38 20.529 17.862 -3.900 307 2HB GLU 38 3HB GLU 38 21.637 16.716 -4.630 308 1HG GLU 38 2HG GLU 38 22.686 16.689 -2.607 309 2HG GLU 38 3HG GLU 38 23.362 18.237 -3.076 310 H HIS 39 HN HIS 39 21.134 18.317 -7.524 311 HA HIS 39 HA HIS 39 22.853 16.404 -8.419 312 1HB HIS 39 2HB HIS 39 20.694 17.312 -9.447 313 2HB HIS 39 3HB HIS 39 21.680 18.561 -10.181 314 HD1 HIS 39 HD1 HIS 39 21.654 17.880 -12.610 315 HD2 HIS 39 HD2 HIS 39 22.634 14.700 -10.056 316 HE1 HIS 39 HE1 HIS 39 22.327 15.934 -14.117 317 HA PRO 40 HA PRO 40 26.582 18.632 -8.779 318 1HB PRO 40 2HB PRO 40 28.155 16.579 -9.662 319 2HB PRO 40 3HB PRO 40 27.809 16.861 -7.968 320 1HG PRO 40 2HG PRO 40 26.710 14.786 -9.764 321 2HG PRO 40 3HG PRO 40 26.716 14.830 -8.013 322 1HD PRO 40 2HD PRO 40 24.491 15.387 -9.735 323 2HD PRO 40 3HD PRO 40 24.531 15.543 -7.990 324 H GLY 41 HN GLY 41 25.186 16.790 -11.364 325 1HA GLY 41 1HA GLY 41 26.842 17.759 -13.427 326 2HA GLY 41 2HA GLY 41 25.236 17.079 -13.594 327 H GLY 42 HN GLY 42 23.382 18.642 -12.724 328 1HA GLY 42 1HA GLY 42 23.850 21.437 -12.799 329 2HA GLY 42 2HA GLY 42 23.305 20.877 -14.368 330 H GLU 43 HN GLU 43 21.910 22.615 -12.363 331 HA GLU 43 HA GLU 43 19.813 20.907 -11.395 332 1HB GLU 43 2HB GLU 43 18.909 23.069 -10.445 333 2HB GLU 43 3HB GLU 43 20.521 22.660 -9.896 334 1HG GLU 43 2HG GLU 43 21.400 24.550 -10.803 335 2HG GLU 43 3HG GLU 43 20.678 24.214 -12.364 336 H GLU 44 HN GLU 44 20.581 22.789 -14.207 337 HA GLU 44 HA GLU 44 17.838 23.282 -14.867 338 1HB GLU 44 2HB GLU 44 20.417 23.717 -16.437 339 2HB GLU 44 3HB GLU 44 18.831 24.212 -16.994 340 1HG GLU 44 2HG GLU 44 18.989 25.240 -14.366 341 2HG GLU 44 3HG GLU 44 20.594 25.495 -15.021 342 H VAL 45 HN VAL 45 20.590 21.312 -16.194 343 HA VAL 45 HA VAL 45 19.431 20.100 -18.277 344 HB VAL 45 HB VAL 45 21.598 19.495 -17.943 345 1HG1 VAL 45 1HG1 VAL 45 22.058 18.331 -15.490 346 2HG1 VAL 45 2HG1 VAL 45 22.400 20.026 -15.911 347 3HG1 VAL 45 3HG1 VAL 45 20.877 19.601 -15.093 348 1HG2 VAL 45 1HG2 VAL 45 20.551 17.043 -16.566 349 2HG2 VAL 45 2HG2 VAL 45 19.943 17.452 -18.188 350 3HG2 VAL 45 3HG2 VAL 45 21.685 17.190 -17.930 351 H LEU 46 HN LEU 46 18.588 19.709 -14.861 352 HA LEU 46 HA LEU 46 16.974 17.378 -15.406 353 1HB LEU 46 2HB LEU 46 16.931 18.923 -12.843 354 2HB LEU 46 3HB LEU 46 16.693 17.209 -13.116 355 HG LEU 46 HG LEU 46 19.381 18.413 -13.690 356 1HD1 LEU 46 1HD1 LEU 46 18.551 17.537 -10.916 357 2HD1 LEU 46 2HD1 LEU 46 20.102 18.243 -11.428 358 3HD1 LEU 46 3HD1 LEU 46 18.627 19.237 -11.438 359 1HD2 LEU 46 1HD2 LEU 46 18.232 15.720 -13.188 360 2HD2 LEU 46 2HD2 LEU 46 19.527 16.236 -14.294 361 3HD2 LEU 46 3HD2 LEU 46 19.868 16.033 -12.559 362 H ARG 47 HN ARG 47 16.363 20.721 -14.104 363 HA ARG 47 HA ARG 47 13.643 20.548 -14.315 364 1HB ARG 47 2HB ARG 47 15.507 22.964 -14.499 365 2HB ARG 47 3HB ARG 47 13.766 23.119 -14.377 366 1HG ARG 47 2HG ARG 47 14.231 21.392 -12.296 367 2HG ARG 47 3HG ARG 47 15.748 22.268 -12.304 368 1HD ARG 47 2HD ARG 47 13.298 23.968 -12.557 369 2HD ARG 47 3HD ARG 47 13.480 23.145 -11.020 370 HE ARG 47 HE ARG 47 15.977 24.174 -11.326 371 1HH1 ARG 47 1HH1 ARG 47 15.585 27.601 -10.798 372 2HH1 ARG 47 2HH1 ARG 47 16.698 26.273 -10.783 373 1HH2 ARG 47 1HH2 ARG 47 13.365 27.247 -11.370 374 2HH2 ARG 47 2HH2 ARG 47 12.819 25.656 -11.781 375 H GLU 48 HN GLU 48 16.002 22.151 -16.588 376 HA GLU 48 HA GLU 48 14.468 23.099 -18.473 377 1HB GLU 48 2HB GLU 48 16.985 22.922 -18.512 378 2HB GLU 48 3HB GLU 48 16.835 21.271 -19.082 379 1HG GLU 48 2HG GLU 48 16.830 22.155 -21.181 380 2HG GLU 48 3HG GLU 48 15.177 22.633 -20.851 381 H GLN 49 HN GLN 49 15.159 19.576 -18.053 382 HA GLN 49 HA GLN 49 12.806 19.093 -19.691 383 1HB GLN 49 2HB GLN 49 13.939 17.153 -20.754 384 2HB GLN 49 3HB GLN 49 14.744 18.662 -21.133 385 1HG GLN 49 2HG GLN 49 16.134 18.008 -18.890 386 2HG GLN 49 3HG GLN 49 15.673 16.394 -19.394 387 1HE2 GLN 49 1HE2 GLN 49 16.283 15.623 -21.449 388 2HE2 GLN 49 2HE2 GLN 49 17.648 16.262 -22.302 389 H ALA 50 HN ALA 50 12.435 19.221 -17.050 390 HA ALA 50 HA ALA 50 13.081 16.810 -15.684 391 1HB ALA 50 1HB ALA 50 12.776 18.482 -14.157 392 2HB ALA 50 2HB ALA 50 11.599 19.344 -15.177 393 3HB ALA 50 3HB ALA 50 11.085 17.932 -14.222 394 H GLY 51 HN GLY 51 9.722 18.012 -15.798 395 1HA GLY 51 1HA GLY 51 8.441 15.638 -15.771 396 2HA GLY 51 2HA GLY 51 7.815 17.069 -16.565 397 H GLY 52 HN GLY 52 10.134 17.128 -18.534 398 1HA GLY 52 1HA GLY 52 8.932 15.732 -20.631 399 2HA GLY 52 2HA GLY 52 10.556 16.392 -20.614 400 H ASP 53 HN ASP 53 11.810 14.752 -21.466 401 HA ASP 53 HA ASP 53 11.716 12.258 -19.972 402 1HB ASP 53 2HB ASP 53 12.094 10.998 -22.046 403 2HB ASP 53 3HB ASP 53 10.626 11.943 -22.188 404 H ALA 54 HN ALA 54 13.720 12.191 -18.936 405 HA ALA 54 HA ALA 54 16.033 13.173 -20.464 406 1HB ALA 54 1HB ALA 54 15.993 12.963 -17.459 407 2HB ALA 54 2HB ALA 54 16.916 14.067 -18.506 408 3HB ALA 54 3HB ALA 54 15.175 14.333 -18.249 409 H THR 55 HN THR 55 14.533 10.432 -20.178 410 HA THR 55 HA THR 55 16.024 8.648 -18.714 411 HB THR 55 HB THR 55 14.453 8.503 -21.320 412 HG1 THR 55 HG1 THR 55 12.938 8.058 -19.760 413 1HG2 THR 55 1HG2 THR 55 16.375 6.638 -20.930 414 2HG2 THR 55 2HG2 THR 55 15.178 6.018 -19.769 415 3HG2 THR 55 3HG2 THR 55 14.747 6.186 -21.488 416 H GLU 56 HN GLU 56 16.555 9.492 -22.207 417 HA GLU 56 HA GLU 56 18.954 8.051 -22.269 418 1HB GLU 56 2HB GLU 56 17.862 10.220 -24.113 419 2HB GLU 56 3HB GLU 56 19.279 9.255 -24.473 420 1HG GLU 56 2HG GLU 56 17.924 7.656 -25.335 421 2HG GLU 56 3HG GLU 56 17.280 7.377 -23.729 422 H ASN 57 HN ASN 57 18.111 11.508 -21.736 423 HA ASN 57 HA ASN 57 20.715 12.454 -21.857 424 1HB ASN 57 2HB ASN 57 18.069 13.421 -20.850 425 2HB ASN 57 3HB ASN 57 19.455 14.182 -20.093 426 1HD2 ASN 57 1HD2 ASN 57 20.923 15.365 -21.319 427 2HD2 ASN 57 2HD2 ASN 57 20.551 15.984 -22.893 428 H PHE 58 HN PHE 58 19.096 10.413 -19.602 429 HA PHE 58 HA PHE 58 20.762 11.269 -17.367 430 1HB PHE 58 2HB PHE 58 18.305 10.888 -17.039 431 2HB PHE 58 3HB PHE 58 18.436 9.291 -17.748 432 HD1 PHE 58 HD1 PHE 58 18.648 7.465 -16.345 433 HD2 PHE 58 HD2 PHE 58 19.805 11.285 -14.906 434 HE1 PHE 58 HE1 PHE 58 19.046 6.487 -14.067 435 HE2 PHE 58 HE2 PHE 58 20.205 10.307 -12.629 436 HZ PHE 58 HZ PHE 58 19.820 7.920 -12.236 437 H GLU 59 HN GLU 59 20.066 8.471 -19.525 438 HA GLU 59 HA GLU 59 21.963 6.851 -18.146 439 1HB GLU 59 2HB GLU 59 21.224 5.101 -19.519 440 2HB GLU 59 3HB GLU 59 19.799 6.117 -19.424 441 1HG GLU 59 2HG GLU 59 20.662 7.265 -21.588 442 2HG GLU 59 3HG GLU 59 21.801 5.939 -21.713 443 H ASP 60 HN ASP 60 21.819 8.896 -21.072 444 HA ASP 60 HA ASP 60 24.031 7.971 -22.370 445 1HB ASP 60 2HB ASP 60 22.419 9.698 -23.218 446 2HB ASP 60 3HB ASP 60 23.083 10.862 -22.089 447 H VAL 61 HN VAL 61 23.665 10.372 -19.689 448 HA VAL 61 HA VAL 61 26.378 11.146 -19.641 449 HB VAL 61 HB VAL 61 25.807 12.267 -17.619 450 1HG1 VAL 61 1HG1 VAL 61 23.382 13.150 -18.375 451 2HG1 VAL 61 2HG1 VAL 61 24.884 13.598 -19.219 452 3HG1 VAL 61 3HG1 VAL 61 23.852 12.299 -19.866 453 1HG2 VAL 61 1HG2 VAL 61 23.071 11.445 -17.208 454 2HG2 VAL 61 2HG2 VAL 61 24.148 10.031 -17.136 455 3HG2 VAL 61 3HG2 VAL 61 24.439 11.426 -16.071 456 H GLY 62 HN GLY 62 24.684 8.282 -18.654 457 1HA GLY 62 1HA GLY 62 25.383 6.400 -17.644 458 2HA GLY 62 2HA GLY 62 27.030 6.947 -17.889 459 H HIS 63 HN HIS 63 24.197 7.096 -15.693 460 HA HIS 63 HA HIS 63 25.564 8.559 -13.692 461 1HB HIS 63 2HB HIS 63 22.975 7.040 -13.855 462 2HB HIS 63 3HB HIS 63 23.574 7.572 -12.296 463 HD1 HIS 63 HD1 HIS 63 22.880 9.135 -15.736 464 HD2 HIS 63 HD2 HIS 63 22.775 10.102 -11.655 465 HE1 HIS 63 HE1 HIS 63 21.923 11.496 -15.585 466 H SER 64 HN SER 64 26.631 7.841 -11.826 467 HA SER 64 HA SER 64 27.699 5.216 -12.068 468 1HB SER 64 2HB SER 64 28.421 7.693 -10.784 469 2HB SER 64 3HB SER 64 28.404 6.441 -9.558 470 HG SER 64 HG SER 64 30.073 6.724 -11.840 471 H THR 65 HN THR 65 27.880 3.868 -9.884 472 HA THR 65 HA THR 65 25.374 2.940 -9.227 473 HB THR 65 HB THR 65 28.176 2.734 -8.139 474 HG1 THR 65 HG1 THR 65 27.275 0.415 -8.465 475 1HG2 THR 65 1HG2 THR 65 26.554 2.837 -6.108 476 2HG2 THR 65 2HG2 THR 65 25.806 1.368 -6.780 477 3HG2 THR 65 3HG2 THR 65 27.514 1.348 -6.278 478 H ASP 66 HN ASP 66 27.397 5.359 -7.461 479 HA ASP 66 HA ASP 66 26.030 5.689 -5.238 480 1HB ASP 66 2HB ASP 66 27.559 7.440 -7.031 481 2HB ASP 66 3HB ASP 66 26.330 8.351 -6.176 482 H ALA 67 HN ALA 67 25.104 6.895 -8.522 483 HA ALA 67 HA ALA 67 22.836 8.336 -7.682 484 1HB ALA 67 1HB ALA 67 24.139 8.549 -9.858 485 2HB ALA 67 2HB ALA 67 23.334 7.056 -10.394 486 3HB ALA 67 3HB ALA 67 22.369 8.507 -10.030 487 H ARG 68 HN ARG 68 23.321 4.988 -8.981 488 HA ARG 68 HA ARG 68 20.844 4.159 -9.288 489 1HB ARG 68 2HB ARG 68 23.025 2.799 -9.409 490 2HB ARG 68 3HB ARG 68 22.880 2.539 -7.683 491 1HG ARG 68 2HG ARG 68 20.886 1.252 -7.912 492 2HG ARG 68 3HG ARG 68 20.554 1.877 -9.516 493 1HD ARG 68 2HD ARG 68 22.824 0.722 -10.193 494 2HD ARG 68 3HD ARG 68 22.649 -0.165 -8.693 495 HE ARG 68 HE ARG 68 20.181 -0.524 -9.807 496 1HH1 ARG 68 1HH1 ARG 68 20.753 -2.831 -12.363 497 2HH1 ARG 68 2HH1 ARG 68 19.571 -2.146 -11.298 498 1HH2 ARG 68 1HH2 ARG 68 22.955 -2.102 -12.276 499 2HH2 ARG 68 2HH2 ARG 68 23.416 -0.872 -11.146 500 H GLU 69 HN GLU 69 22.561 4.442 -6.110 501 HA GLU 69 HA GLU 69 20.465 3.401 -4.604 502 1HB GLU 69 2HB GLU 69 22.991 3.858 -4.011 503 2HB GLU 69 3HB GLU 69 22.424 5.445 -3.526 504 1HG GLU 69 2HG GLU 69 21.104 4.597 -1.769 505 2HG GLU 69 3HG GLU 69 20.932 3.020 -2.516 506 H LEU 70 HN LEU 70 21.507 6.832 -5.217 507 HA LEU 70 HA LEU 70 19.489 8.052 -3.788 508 1HB LEU 70 2HB LEU 70 21.300 8.813 -6.021 509 2HB LEU 70 3HB LEU 70 19.929 9.857 -5.706 510 HG LEU 70 HG LEU 70 20.715 10.524 -3.635 511 1HD1 LEU 70 1HD1 LEU 70 21.028 8.626 -2.374 512 2HD1 LEU 70 2HD1 LEU 70 22.114 7.874 -3.566 513 3HD1 LEU 70 3HD1 LEU 70 22.701 9.208 -2.544 514 1HD2 LEU 70 1HD2 LEU 70 22.720 10.334 -5.739 515 2HD2 LEU 70 2HD2 LEU 70 22.314 11.687 -4.657 516 3HD2 LEU 70 3HD2 LEU 70 23.447 10.425 -4.116 517 H SER 71 HN SER 71 19.566 7.690 -7.408 518 HA SER 71 HA SER 71 17.185 8.473 -8.076 519 1HB SER 71 2HB SER 71 17.111 6.432 -9.705 520 2HB SER 71 3HB SER 71 18.461 7.544 -9.816 521 HG SER 71 HG SER 71 19.415 5.889 -8.108 522 H LYS 72 HN LYS 72 17.775 5.084 -6.873 523 HA LYS 72 HA LYS 72 15.116 4.318 -6.814 524 1HB LYS 72 2HB LYS 72 16.746 2.632 -6.679 525 2HB LYS 72 3HB LYS 72 17.589 3.407 -5.353 526 1HG LYS 72 2HG LYS 72 16.133 2.589 -3.757 527 2HG LYS 72 3HG LYS 72 14.733 2.741 -4.798 528 1HD LYS 72 2HD LYS 72 15.045 0.644 -5.779 529 2HD LYS 72 3HD LYS 72 16.785 0.680 -5.568 530 1HE LYS 72 2HE LYS 72 16.331 0.497 -3.019 531 2HE LYS 72 3HE LYS 72 14.673 0.121 -3.443 532 1HZ LYS 72 1HZ LYS 72 16.099 -1.496 -5.044 533 2HZ LYS 72 2HZ LYS 72 16.993 -1.500 -3.678 534 3HZ LYS 72 3HZ LYS 72 15.421 -1.939 -3.626 535 H THR 73 HN THR 73 17.176 5.726 -4.178 536 HA THR 73 HA THR 73 15.169 5.780 -2.246 537 HB THR 73 HB THR 73 17.879 6.884 -2.725 538 HG1 THR 73 HG1 THR 73 17.660 6.379 -0.274 539 1HG2 THR 73 1HG2 THR 73 16.674 9.037 -2.215 540 2HG2 THR 73 2HG2 THR 73 15.970 8.273 -0.769 541 3HG2 THR 73 3HG2 THR 73 17.728 8.533 -0.871 542 H TYR 74 HN TYR 74 15.817 7.918 -5.005 543 HA TYR 74 HA TYR 74 13.771 9.760 -4.014 544 1HB TYR 74 2HB TYR 74 15.946 9.684 -6.176 545 2HB TYR 74 3HB TYR 74 14.697 10.911 -6.250 546 HD1 TYR 74 HD1 TYR 74 17.607 9.685 -4.338 547 HD2 TYR 74 HD2 TYR 74 14.669 12.775 -4.696 548 HE1 TYR 74 HE1 TYR 74 18.942 11.148 -2.745 549 HE2 TYR 74 HE2 TYR 74 16.014 14.227 -3.101 550 HH TYR 74 HH TYR 74 18.796 14.173 -2.529 551 H ILE 75 HN ILE 75 12.886 7.135 -4.797 552 HA ILE 75 HA ILE 75 11.543 7.786 -7.328 553 HB ILE 75 HB ILE 75 13.203 5.706 -6.916 554 1HG1 ILE 75 2HG1 ILE 75 11.961 6.603 -9.005 555 2HG1 ILE 75 3HG1 ILE 75 12.500 4.935 -8.980 556 1HG2 ILE 75 1HG2 ILE 75 11.877 4.665 -5.187 557 2HG2 ILE 75 2HG2 ILE 75 10.435 4.680 -6.232 558 3HG2 ILE 75 3HG2 ILE 75 11.832 3.660 -6.656 559 1HD1 ILE 75 1HD1 ILE 75 10.210 4.977 -9.800 560 2HD1 ILE 75 2HD1 ILE 75 10.192 4.258 -8.172 561 3HD1 ILE 75 3HD1 ILE 75 9.678 5.946 -8.405 562 H ILE 76 HN ILE 76 9.295 7.606 -7.427 563 HA ILE 76 HA ILE 76 8.014 6.952 -4.866 564 HB ILE 76 HB ILE 76 6.554 8.749 -5.053 565 1HG1 ILE 76 2HG1 ILE 76 6.224 8.353 -7.579 566 2HG1 ILE 76 3HG1 ILE 76 6.016 9.975 -6.951 567 1HG2 ILE 76 1HG2 ILE 76 9.351 9.569 -5.839 568 2HG2 ILE 76 2HG2 ILE 76 8.079 10.753 -5.454 569 3HG2 ILE 76 3HG2 ILE 76 8.596 9.571 -4.227 570 1HD1 ILE 76 1HD1 ILE 76 7.372 10.267 -8.882 571 2HD1 ILE 76 2HD1 ILE 76 8.528 10.339 -7.531 572 3HD1 ILE 76 3HD1 ILE 76 8.378 8.851 -8.495 573 H GLY 77 HN GLY 77 7.901 6.980 -8.450 574 1HA GLY 77 1HA GLY 77 6.685 4.486 -8.654 575 2HA GLY 77 2HA GLY 77 5.401 5.679 -8.698 576 H GLU 78 HN GLU 78 5.069 4.874 -10.958 577 HA GLU 78 HA GLU 78 6.974 6.187 -12.737 578 1HB GLU 78 2HB GLU 78 5.345 3.894 -13.774 579 2HB GLU 78 3HB GLU 78 6.967 4.392 -14.206 580 1HG GLU 78 2HG GLU 78 7.868 3.489 -12.104 581 2HG GLU 78 3HG GLU 78 6.255 3.139 -11.514 582 H LEU 79 HN LEU 79 5.857 6.608 -15.009 583 HA LEU 79 HA LEU 79 3.243 7.779 -14.392 584 1HB LEU 79 2HB LEU 79 3.714 9.496 -15.824 585 2HB LEU 79 3HB LEU 79 5.280 9.175 -15.107 586 HG LEU 79 HG LEU 79 5.609 9.566 -17.432 587 1HD1 LEU 79 1HD1 LEU 79 5.775 6.581 -16.928 588 2HD1 LEU 79 2HD1 LEU 79 6.657 7.488 -18.181 589 3HD1 LEU 79 3HD1 LEU 79 6.989 7.796 -16.460 590 1HD2 LEU 79 1HD2 LEU 79 4.033 9.176 -18.938 591 2HD2 LEU 79 2HD2 LEU 79 4.257 7.422 -18.732 592 3HD2 LEU 79 3HD2 LEU 79 3.075 8.293 -17.726 593 H HIS 80 HN HIS 80 1.502 7.567 -15.931 594 HA HIS 80 HA HIS 80 0.945 5.110 -16.770 595 1HB HIS 80 2HB HIS 80 -0.258 7.542 -16.966 596 2HB HIS 80 3HB HIS 80 0.071 7.222 -18.657 597 HD1 HIS 80 HD1 HIS 80 -2.610 7.077 -18.875 598 HD2 HIS 80 HD2 HIS 80 -0.774 4.011 -16.679 599 HE1 HIS 80 HE1 HIS 80 -4.332 5.204 -18.687 600 HA PRO 81 HA PRO 81 3.986 4.492 -19.886 601 1HB PRO 81 2HB PRO 81 3.751 1.773 -20.022 602 2HB PRO 81 3HB PRO 81 4.807 2.588 -18.885 603 1HG PRO 81 2HG PRO 81 2.207 1.273 -18.384 604 2HG PRO 81 3HG PRO 81 3.457 1.708 -17.235 605 1HD PRO 81 2HD PRO 81 0.984 3.089 -17.685 606 2HD PRO 81 3HD PRO 81 2.285 3.587 -16.621 607 H ASP 82 HN ASP 82 0.745 4.452 -20.019 608 HA ASP 82 HA ASP 82 0.477 3.135 -22.507 609 1HB ASP 82 2HB ASP 82 -1.323 3.523 -20.684 610 2HB ASP 82 3HB ASP 82 -1.428 5.171 -21.273 611 H ASP 83 HN ASP 83 0.847 6.499 -21.278 612 HA ASP 83 HA ASP 83 0.493 7.580 -23.909 613 1HB ASP 83 2HB ASP 83 1.312 8.884 -21.270 614 2HB ASP 83 3HB ASP 83 0.972 9.765 -22.747 615 H ARG 84 HN ARG 84 3.024 6.527 -21.679 616 HA ARG 84 HA ARG 84 5.106 8.086 -22.576 617 1HB ARG 84 2HB ARG 84 5.302 6.750 -20.538 618 2HB ARG 84 3HB ARG 84 5.042 5.259 -21.420 619 1HG ARG 84 2HG ARG 84 7.398 5.334 -21.106 620 2HG ARG 84 3HG ARG 84 7.177 5.852 -22.766 621 1HD ARG 84 2HD ARG 84 7.008 8.144 -20.944 622 2HD ARG 84 3HD ARG 84 8.509 7.273 -20.699 623 HE ARG 84 HE ARG 84 7.690 8.714 -23.138 624 1HH1 ARG 84 1HH1 ARG 84 10.749 8.080 -24.692 625 2HH1 ARG 84 2HH1 ARG 84 9.273 8.984 -24.762 626 1HH2 ARG 84 1HH2 ARG 84 11.119 6.595 -22.948 627 2HH2 ARG 84 2HH2 ARG 84 9.918 6.390 -21.715 628 H SER 85 HN SER 85 3.513 5.220 -23.931 629 HA SER 85 HA SER 85 5.592 5.092 -25.967 630 1HB SER 85 2HB SER 85 3.880 3.069 -24.635 631 2HB SER 85 3HB SER 85 3.966 2.876 -26.375 632 HG SER 85 HG SER 85 6.412 3.129 -26.012 633 H LYS 86 HN LYS 86 4.119 7.264 -26.407 634 HA LYS 86 HA LYS 86 1.865 6.481 -28.098 635 1HB LYS 86 2HB LYS 86 1.075 8.711 -27.872 636 2HB LYS 86 3HB LYS 86 1.535 8.168 -26.272 637 1HG LYS 86 2HG LYS 86 3.333 9.622 -26.133 638 2HG LYS 86 3HG LYS 86 3.698 9.511 -27.845 639 1HD LYS 86 2HD LYS 86 2.517 11.398 -28.288 640 2HD LYS 86 3HD LYS 86 1.089 10.750 -27.506 641 1HE LYS 86 2HE LYS 86 2.500 11.336 -25.275 642 2HE LYS 86 3HE LYS 86 3.266 12.487 -26.353 643 1HZ LYS 86 1HZ LYS 86 0.760 12.654 -25.171 644 2HZ LYS 86 2HZ LYS 86 1.504 13.755 -26.121 645 3HZ LYS 86 3HZ LYS 86 0.540 12.619 -26.789 646 H ILE 87 HN ILE 87 4.742 6.023 -28.783 647 HA ILE 87 HA ILE 87 5.072 7.959 -30.946 648 HB ILE 87 HB ILE 87 6.893 6.129 -29.444 649 1HG1 ILE 87 2HG1 ILE 87 8.234 8.449 -29.940 650 2HG1 ILE 87 3HG1 ILE 87 6.581 9.032 -29.940 651 1HG2 ILE 87 1HG2 ILE 87 7.199 5.579 -31.848 652 2HG2 ILE 87 2HG2 ILE 87 7.580 7.290 -32.156 653 3HG2 ILE 87 3HG2 ILE 87 8.631 6.321 -31.095 654 1HD1 ILE 87 1HD1 ILE 87 6.181 8.288 -27.712 655 2HD1 ILE 87 2HD1 ILE 87 7.586 7.196 -27.736 656 3HD1 ILE 87 3HD1 ILE 87 7.829 8.957 -27.662 657 H ALA 88 HN ALA 88 5.327 4.371 -30.390 658 HA ALA 88 HA ALA 88 5.402 3.560 -32.973 659 1HB ALA 88 1HB ALA 88 5.226 1.539 -31.991 660 2HB ALA 88 2HB ALA 88 5.047 2.410 -30.450 661 3HB ALA 88 3HB ALA 88 3.603 1.906 -31.360 662 HHA HEM 95 HA HEM 95 26.984 13.115 -13.039 663 HHB HEM 95 HB HEM 95 22.954 11.121 -8.575 664 HHC HEM 95 HC HEM 95 18.067 12.724 -12.346 665 HHD HEM 95 HD HEM 95 22.149 14.759 -16.740 666 1HMA HEM 95 1HMA HEM 95 25.862 11.542 -7.633 667 2HMA HEM 95 2HMA HEM 95 26.458 10.071 -8.501 668 3HMA HEM 95 3HMA HEM 95 24.736 10.171 -8.022 669 1HAA HEM 95 1HAA HEM 95 27.902 11.148 -11.786 670 2HAA HEM 95 2HAA HEM 95 27.690 10.520 -10.051 671 1HBA HEM 95 1HBA HEM 95 28.964 11.615 -9.023 672 2HBA HEM 95 2HBA HEM 95 28.678 13.137 -9.940 673 1HMB HEM 95 1HMB HEM 95 20.213 11.687 -7.105 674 2HMB HEM 95 2HMB HEM 95 21.258 10.328 -7.697 675 3HMB HEM 95 3HMB HEM 95 19.486 10.169 -7.790 676 HAB HEM 95 HAB HEM 95 17.481 12.550 -9.514 677 1HBB HEM 95 HBB HEM 95 17.574 9.475 -9.758 678 2HBB HEM 95 HBB HEM 95 16.111 10.601 -9.410 679 1HMC HEM 95 1HMC HEM 95 16.914 14.384 -14.442 680 2HMC HEM 95 2HMC HEM 95 17.128 12.595 -14.238 681 3HMC HEM 95 3HMC HEM 95 17.184 13.317 -15.875 682 HAC HEM 95 HAC HEM 95 20.367 14.776 -17.603 683 1HBC HEM 95 HBC HEM 95 17.593 15.484 -16.443 684 2HBC HEM 95 HBC HEM 95 18.265 15.851 -18.158 685 1HMD HEM 95 1HMD HEM 95 24.545 16.449 -16.870 686 2HMD HEM 95 2HMD HEM 95 24.270 14.952 -17.856 687 3HMD HEM 95 3HMD HEM 95 25.948 15.455 -17.419 688 1HAD HEM 95 1HAD HEM 95 27.816 14.319 -14.244 689 2HAD HEM 95 2HAD HEM 95 27.435 15.467 -15.556 690 1HBD HEM 95 1HBD HEM 95 27.697 13.739 -17.275 691 2HBD HEM 95 2HBD HEM 95 27.694 12.428 -16.083 Start of MODEL 20 1 H VAL 4 HN VAL 4 2.037 -0.936 -8.420 2 HA VAL 4 HA VAL 4 3.922 1.025 -7.311 3 HB VAL 4 HB VAL 4 4.475 -0.612 -9.291 4 1HG1 VAL 4 1HG1 VAL 4 3.128 1.656 -10.793 5 2HG1 VAL 4 2HG1 VAL 4 3.957 0.241 -11.486 6 3HG1 VAL 4 3HG1 VAL 4 2.434 0.030 -10.588 7 1HG2 VAL 4 1HG2 VAL 4 5.315 2.063 -10.129 8 2HG2 VAL 4 2HG2 VAL 4 5.495 1.801 -8.377 9 3HG2 VAL 4 3HG2 VAL 4 6.281 0.694 -9.528 10 H LYS 5 HN LYS 5 3.723 3.236 -8.524 11 HA LYS 5 HA LYS 5 0.854 3.836 -8.679 12 1HB LYS 5 2HB LYS 5 3.097 5.109 -7.286 13 2HB LYS 5 3HB LYS 5 2.173 6.237 -8.256 14 1HG LYS 5 2HG LYS 5 0.664 4.260 -6.543 15 2HG LYS 5 3HG LYS 5 1.434 5.621 -5.753 16 1HD LYS 5 2HD LYS 5 -0.785 6.362 -6.272 17 2HD LYS 5 3HD LYS 5 0.252 7.144 -7.449 18 1HE LYS 5 2HE LYS 5 -0.364 5.571 -9.186 19 2HE LYS 5 3HE LYS 5 -1.123 4.488 -8.036 20 1HZ LYS 5 1HZ LYS 5 -2.073 7.086 -8.965 21 2HZ LYS 5 2HZ LYS 5 -2.862 5.656 -8.940 22 3HZ LYS 5 3HZ LYS 5 -2.612 6.475 -7.550 23 H TYR 6 HN TYR 6 0.071 4.351 -10.647 24 HA TYR 6 HA TYR 6 2.032 5.021 -12.716 25 1HB TYR 6 2HB TYR 6 -0.931 4.168 -12.692 26 2HB TYR 6 3HB TYR 6 -0.012 4.425 -14.161 27 HD1 TYR 6 HD1 TYR 6 2.512 3.096 -13.752 28 HD2 TYR 6 HD2 TYR 6 -1.380 1.907 -12.434 29 HE1 TYR 6 HE1 TYR 6 3.263 0.667 -13.703 30 HE2 TYR 6 HE2 TYR 6 -0.617 -0.517 -12.390 31 HH TYR 6 HH TYR 6 1.177 -1.861 -13.621 32 H TYR 7 HN TYR 7 2.380 7.213 -12.766 33 HA TYR 7 HA TYR 7 0.107 8.980 -12.348 34 1HB TYR 7 2HB TYR 7 3.037 9.587 -13.050 35 2HB TYR 7 3HB TYR 7 1.923 10.651 -12.214 36 HD1 TYR 7 HD1 TYR 7 4.740 8.793 -11.704 37 HD2 TYR 7 HD2 TYR 7 0.849 9.309 -10.000 38 HE1 TYR 7 HE1 TYR 7 5.600 7.948 -9.466 39 HE2 TYR 7 HE2 TYR 7 1.722 8.461 -7.768 40 HH TYR 7 HH TYR 7 3.533 7.031 -6.972 41 H THR 8 HN THR 8 -0.630 10.508 -13.889 42 HA THR 8 HA THR 8 -0.429 9.616 -16.591 43 HB THR 8 HB THR 8 -1.818 11.876 -16.808 44 HG1 THR 8 HG1 THR 8 -2.038 12.843 -14.822 45 1HG2 THR 8 1HG2 THR 8 -2.761 9.446 -16.594 46 2HG2 THR 8 2HG2 THR 8 -2.949 9.817 -14.863 47 3HG2 THR 8 3HG2 THR 8 -3.825 10.778 -16.079 48 H LEU 9 HN LEU 9 0.474 10.645 -18.401 49 HA LEU 9 HA LEU 9 3.001 11.665 -18.035 50 1HB LEU 9 2HB LEU 9 3.114 11.587 -20.256 51 2HB LEU 9 3HB LEU 9 1.577 10.757 -20.119 52 HG LEU 9 HG LEU 9 1.768 13.747 -20.525 53 1HD1 LEU 9 1HD1 LEU 9 2.509 11.707 -22.384 54 2HD1 LEU 9 2HD1 LEU 9 0.994 12.463 -22.938 55 3HD1 LEU 9 3HD1 LEU 9 2.428 13.470 -22.622 56 1HD2 LEU 9 1HD2 LEU 9 -0.366 12.891 -19.663 57 2HD2 LEU 9 2HD2 LEU 9 -0.527 13.541 -21.312 58 3HD2 LEU 9 3HD2 LEU 9 -0.479 11.780 -21.050 59 H GLU 10 HN GLU 10 -0.072 13.186 -17.541 60 HA GLU 10 HA GLU 10 0.746 15.807 -18.141 61 1HB GLU 10 2HB GLU 10 -1.625 14.449 -17.072 62 2HB GLU 10 3HB GLU 10 -1.334 15.965 -16.242 63 1HG GLU 10 2HG GLU 10 -0.967 16.181 -19.171 64 2HG GLU 10 3HG GLU 10 -2.585 15.671 -18.730 65 H GLU 11 HN GLU 11 0.720 13.760 -15.185 66 HA GLU 11 HA GLU 11 1.191 15.630 -13.298 67 1HB GLU 11 2HB GLU 11 1.322 12.815 -13.498 68 2HB GLU 11 3HB GLU 11 2.894 13.283 -12.880 69 1HG GLU 11 2HG GLU 11 1.985 13.593 -10.829 70 2HG GLU 11 3HG GLU 11 0.990 14.884 -11.473 71 H ILE 12 HN ILE 12 3.874 13.640 -14.747 72 HA ILE 12 HA ILE 12 6.018 14.883 -13.874 73 HB ILE 12 HB ILE 12 6.628 14.657 -16.562 74 1HG1 ILE 12 2HG1 ILE 12 4.107 13.831 -16.627 75 2HG1 ILE 12 3HG1 ILE 12 5.354 13.091 -17.610 76 1HG2 ILE 12 1HG2 ILE 12 6.719 12.734 -14.240 77 2HG2 ILE 12 2HG2 ILE 12 7.381 12.321 -15.840 78 3HG2 ILE 12 3HG2 ILE 12 8.031 13.712 -14.939 79 1HD1 ILE 12 1HD1 ILE 12 4.928 12.007 -14.829 80 2HD1 ILE 12 2HD1 ILE 12 3.739 11.603 -16.090 81 3HD1 ILE 12 3HD1 ILE 12 5.450 11.160 -16.305 82 H GLN 13 HN GLN 13 4.133 16.111 -16.728 83 HA GLN 13 HA GLN 13 5.601 18.322 -17.211 84 1HB GLN 13 2HB GLN 13 2.581 17.955 -17.379 85 2HB GLN 13 3HB GLN 13 3.427 19.316 -18.086 86 1HG GLN 13 2HG GLN 13 4.512 16.603 -18.761 87 2HG GLN 13 3HG GLN 13 2.938 16.989 -19.430 88 1HE2 GLN 13 1HE2 GLN 13 4.146 16.798 -21.449 89 2HE2 GLN 13 2HE2 GLN 13 4.961 18.182 -22.095 90 H LYS 14 HN LYS 14 2.724 18.097 -14.994 91 HA LYS 14 HA LYS 14 2.712 20.679 -14.107 92 1HB LYS 14 2HB LYS 14 2.088 18.182 -12.503 93 2HB LYS 14 3HB LYS 14 1.553 19.807 -12.128 94 1HG LYS 14 2HG LYS 14 0.808 18.143 -14.572 95 2HG LYS 14 3HG LYS 14 -0.260 18.672 -13.288 96 1HD LYS 14 2HD LYS 14 0.302 21.089 -13.962 97 2HD LYS 14 3HD LYS 14 1.117 20.430 -15.367 98 1HE LYS 14 2HE LYS 14 -0.958 19.397 -16.171 99 2HE LYS 14 3HE LYS 14 -1.797 19.815 -14.689 100 1HZ LYS 14 1HZ LYS 14 -0.625 21.814 -16.494 101 2HZ LYS 14 2HZ LYS 14 -2.189 21.346 -16.554 102 3HZ LYS 14 3HZ LYS 14 -1.611 22.097 -15.223 103 H HIS 15 HN HIS 15 4.891 17.988 -13.227 104 HA HIS 15 HA HIS 15 6.116 19.638 -11.187 105 1HB HIS 15 2HB HIS 15 7.178 16.953 -11.958 106 2HB HIS 15 3HB HIS 15 7.103 17.719 -10.384 107 HD1 HIS 15 HD1 HIS 15 4.244 18.195 -9.797 108 HD2 HIS 15 HD2 HIS 15 5.493 14.820 -11.952 109 HE1 HIS 15 HE1 HIS 15 2.379 16.469 -9.566 110 H LYS 16 HN LYS 16 6.420 21.070 -13.387 111 HA LYS 16 HA LYS 16 9.048 20.330 -14.463 112 1HB LYS 16 2HB LYS 16 7.232 20.475 -16.128 113 2HB LYS 16 3HB LYS 16 6.914 22.130 -15.648 114 1HG LYS 16 2HG LYS 16 9.724 21.985 -16.139 115 2HG LYS 16 3HG LYS 16 8.962 21.112 -17.453 116 1HD LYS 16 2HD LYS 16 8.051 23.011 -18.353 117 2HD LYS 16 3HD LYS 16 7.559 23.632 -16.790 118 1HE LYS 16 2HE LYS 16 9.206 25.189 -17.297 119 2HE LYS 16 3HE LYS 16 10.198 24.003 -16.472 120 1HZ LYS 16 1HZ LYS 16 9.925 23.324 -19.179 121 2HZ LYS 16 2HZ LYS 16 10.467 24.860 -19.052 122 3HZ LYS 16 3HZ LYS 16 11.286 23.643 -18.335 123 H ASP 17 HN ASP 17 8.396 21.587 -11.800 124 HA ASP 17 HA ASP 17 10.001 23.967 -12.258 125 1HB ASP 17 2HB ASP 17 8.634 24.851 -10.150 126 2HB ASP 17 3HB ASP 17 8.007 25.059 -11.773 127 H SER 18 HN SER 18 11.078 24.668 -10.074 128 HA SER 18 HA SER 18 12.492 22.607 -9.030 129 1HB SER 18 2HB SER 18 12.013 25.444 -8.354 130 2HB SER 18 3HB SER 18 12.465 24.481 -6.962 131 HG SER 18 HG SER 18 14.037 23.883 -9.176 132 H LYS 19 HN LYS 19 9.569 24.252 -7.637 133 HA LYS 19 HA LYS 19 9.326 23.039 -5.264 134 1HB LYS 19 2HB LYS 19 7.149 23.621 -7.292 135 2HB LYS 19 3HB LYS 19 6.840 23.203 -5.618 136 1HG LYS 19 2HG LYS 19 8.741 25.472 -6.296 137 2HG LYS 19 3HG LYS 19 7.011 25.744 -6.299 138 1HD LYS 19 2HD LYS 19 7.208 24.484 -3.905 139 2HD LYS 19 3HD LYS 19 8.835 25.129 -3.988 140 1HE LYS 19 2HE LYS 19 8.134 27.298 -3.705 141 2HE LYS 19 3HE LYS 19 6.746 27.096 -4.755 142 1HZ LYS 19 1HZ LYS 19 6.653 27.226 -2.083 143 2HZ LYS 19 2HZ LYS 19 5.464 26.625 -3.028 144 3HZ LYS 19 3HZ LYS 19 6.543 25.616 -2.332 145 H SER 20 HN SER 20 8.283 21.620 -8.434 146 HA SER 20 HA SER 20 8.682 19.028 -7.204 147 1HB SER 20 2HB SER 20 6.136 20.024 -8.511 148 2HB SER 20 3HB SER 20 6.537 18.319 -8.569 149 HG SER 20 HG SER 20 5.681 18.204 -6.615 150 H THR 21 HN THR 21 10.433 18.387 -8.450 151 HA THR 21 HA THR 21 10.135 18.682 -11.367 152 HB THR 21 HB THR 21 12.774 18.269 -9.924 153 HG1 THR 21 HG1 THR 21 11.195 20.708 -10.360 154 1HG2 THR 21 1HG2 THR 21 13.408 18.579 -12.117 155 2HG2 THR 21 2HG2 THR 21 11.807 19.206 -12.575 156 3HG2 THR 21 3HG2 THR 21 13.006 20.289 -11.830 157 H TRP 22 HN TRP 22 9.594 16.877 -12.403 158 HA TRP 22 HA TRP 22 10.520 14.353 -11.208 159 1HB TRP 22 2HB TRP 22 7.931 15.166 -12.434 160 2HB TRP 22 3HB TRP 22 8.499 13.538 -12.747 161 HD1 TRP 22 HD1 TRP 22 9.476 14.754 -9.308 162 HE1 TRP 22 HE1 TRP 22 8.015 13.660 -7.402 163 HE3 TRP 22 HE3 TRP 22 5.998 12.724 -12.413 164 HZ2 TRP 22 HZ2 TRP 22 5.624 12.103 -7.406 165 HZ3 TRP 22 HZ3 TRP 22 4.133 11.433 -11.381 166 HH2 TRP 22 HH2 TRP 22 3.913 11.107 -8.969 167 H VAL 23 HN VAL 23 10.898 12.610 -12.930 168 HA VAL 23 HA VAL 23 11.377 13.539 -15.596 169 HB VAL 23 HB VAL 23 13.341 14.444 -14.539 170 1HG1 VAL 23 1HG1 VAL 23 14.098 11.665 -13.605 171 2HG1 VAL 23 2HG1 VAL 23 14.871 13.218 -13.204 172 3HG1 VAL 23 3HG1 VAL 23 13.254 12.838 -12.564 173 1HG2 VAL 23 1HG2 VAL 23 14.810 12.241 -15.681 174 2HG2 VAL 23 2HG2 VAL 23 13.357 12.572 -16.656 175 3HG2 VAL 23 3HG2 VAL 23 14.529 13.872 -16.336 176 H ILE 24 HN ILE 24 10.878 11.863 -16.915 177 HA ILE 24 HA ILE 24 10.336 9.325 -15.767 178 HB ILE 24 HB ILE 24 10.427 10.208 -18.654 179 1HG1 ILE 24 2HG1 ILE 24 7.929 9.929 -17.002 180 2HG1 ILE 24 3HG1 ILE 24 8.866 11.408 -16.932 181 1HG2 ILE 24 1HG2 ILE 24 10.562 7.761 -18.352 182 2HG2 ILE 24 2HG2 ILE 24 9.054 7.813 -17.406 183 3HG2 ILE 24 3HG2 ILE 24 9.045 8.280 -19.124 184 1HD1 ILE 24 1HD1 ILE 24 8.608 10.637 -19.706 185 2HD1 ILE 24 2HD1 ILE 24 6.998 10.609 -18.947 186 3HD1 ILE 24 3HD1 ILE 24 7.980 12.093 -18.896 187 H LEU 25 HN LEU 25 11.719 7.682 -15.385 188 HA LEU 25 HA LEU 25 14.102 7.530 -17.080 189 1HB LEU 25 2HB LEU 25 13.972 8.055 -14.210 190 2HB LEU 25 3HB LEU 25 14.952 6.656 -14.600 191 HG LEU 25 HG LEU 25 16.432 7.940 -15.960 192 1HD1 LEU 25 1HD1 LEU 25 15.926 10.538 -16.033 193 2HD1 LEU 25 2HD1 LEU 25 15.267 9.419 -17.249 194 3HD1 LEU 25 3HD1 LEU 25 14.244 9.970 -15.901 195 1HD2 LEU 25 1HD2 LEU 25 15.798 9.546 -13.469 196 2HD2 LEU 25 2HD2 LEU 25 16.795 8.073 -13.535 197 3HD2 LEU 25 3HD2 LEU 25 17.332 9.549 -14.373 198 H HIS 26 HN HIS 26 14.553 5.488 -17.811 199 HA HIS 26 HA HIS 26 13.895 3.442 -18.419 200 1HB HIS 26 2HB HIS 26 14.235 2.873 -15.467 201 2HB HIS 26 3HB HIS 26 14.531 1.785 -16.808 202 HD1 HIS 26 HD1 HIS 26 16.382 3.635 -14.471 203 HD2 HIS 26 HD2 HIS 26 16.655 3.214 -18.636 204 HE1 HIS 26 HE1 HIS 26 18.762 4.303 -15.104 205 H HIS 27 HN HIS 27 11.605 5.081 -18.086 206 HA HIS 27 HA HIS 27 9.419 4.876 -18.027 207 1HB HIS 27 2HB HIS 27 10.279 2.055 -18.040 208 2HB HIS 27 3HB HIS 27 8.682 2.311 -17.369 209 HD1 HIS 27 HD1 HIS 27 8.983 0.805 -20.033 210 HD2 HIS 27 HD2 HIS 27 8.357 4.944 -19.758 211 HE1 HIS 27 HE1 HIS 27 7.972 1.524 -22.263 212 H LYS 28 HN LYS 28 10.526 6.039 -15.873 213 HA LYS 28 HA LYS 28 8.615 5.571 -13.867 214 1HB LYS 28 2HB LYS 28 9.813 4.557 -12.144 215 2HB LYS 28 3HB LYS 28 10.230 3.602 -13.552 216 1HG LYS 28 2HG LYS 28 12.105 5.775 -13.441 217 2HG LYS 28 3HG LYS 28 11.984 5.129 -11.817 218 1HD LYS 28 2HD LYS 28 12.088 2.969 -13.805 219 2HD LYS 28 3HD LYS 28 13.465 4.039 -13.967 220 1HE LYS 28 2HE LYS 28 14.366 3.412 -11.945 221 2HE LYS 28 3HE LYS 28 12.807 3.356 -11.149 222 1HZ LYS 28 1HZ LYS 28 12.415 1.238 -11.971 223 2HZ LYS 28 2HZ LYS 28 13.580 1.328 -13.112 224 3HZ LYS 28 3HZ LYS 28 13.989 1.189 -11.537 225 H VAL 29 HN VAL 29 8.324 7.473 -12.785 226 HA VAL 29 HA VAL 29 10.034 9.646 -13.520 227 HB VAL 29 HB VAL 29 8.439 10.998 -12.333 228 1HG1 VAL 29 1HG1 VAL 29 6.571 9.026 -13.546 229 2HG1 VAL 29 2HG1 VAL 29 6.761 10.769 -13.852 230 3HG1 VAL 29 3HG1 VAL 29 7.898 9.610 -14.579 231 1HG2 VAL 29 1HG2 VAL 29 6.910 8.555 -11.446 232 2HG2 VAL 29 2HG2 VAL 29 8.212 9.235 -10.439 233 3HG2 VAL 29 3HG2 VAL 29 6.799 10.232 -10.860 234 H TYR 30 HN TYR 30 11.434 10.844 -12.183 235 HA TYR 30 HA TYR 30 12.060 9.515 -9.630 236 1HB TYR 30 2HB TYR 30 13.616 10.647 -11.977 237 2HB TYR 30 3HB TYR 30 14.325 10.898 -10.395 238 HD1 TYR 30 HD1 TYR 30 12.410 7.884 -10.489 239 HD2 TYR 30 HD2 TYR 30 16.217 9.534 -11.534 240 HE1 TYR 30 HE1 TYR 30 13.409 5.548 -10.566 241 HE2 TYR 30 HE2 TYR 30 17.202 7.192 -11.608 242 HH TYR 30 HH TYR 30 16.310 4.876 -12.015 243 H ASP 31 HN ASP 31 11.127 10.771 -8.060 244 HA ASP 31 HA ASP 31 10.809 13.538 -8.415 245 1HB ASP 31 2HB ASP 31 9.348 12.096 -6.970 246 2HB ASP 31 3HB ASP 31 10.695 11.836 -5.879 247 H LEU 32 HN LEU 32 13.101 14.174 -8.879 248 HA LEU 32 HA LEU 32 14.896 13.947 -6.584 249 1HB LEU 32 2HB LEU 32 16.668 14.393 -8.081 250 2HB LEU 32 3HB LEU 32 15.651 13.161 -8.801 251 HG LEU 32 HG LEU 32 14.789 15.758 -9.711 252 1HD1 LEU 32 1HD1 LEU 32 17.524 15.320 -10.755 253 2HD1 LEU 32 2HD1 LEU 32 16.632 16.829 -10.447 254 3HD1 LEU 32 3HD1 LEU 32 17.411 15.964 -9.100 255 1HD2 LEU 32 1HD2 LEU 32 15.942 13.300 -11.041 256 2HD2 LEU 32 2HD2 LEU 32 14.238 13.800 -10.932 257 3HD2 LEU 32 3HD2 LEU 32 15.375 14.728 -11.941 258 H THR 33 HN THR 33 12.490 15.706 -6.632 259 HA THR 33 HA THR 33 13.047 18.329 -7.235 260 HB THR 33 HB THR 33 11.481 17.212 -4.850 261 HG1 THR 33 HG1 THR 33 9.791 17.229 -6.564 262 1HG2 THR 33 1HG2 THR 33 10.490 19.495 -6.501 263 2HG2 THR 33 2HG2 THR 33 10.401 19.253 -4.740 264 3HG2 THR 33 3HG2 THR 33 11.898 19.870 -5.480 265 H LYS 34 HN LYS 34 13.810 16.555 -4.175 266 HA LYS 34 HA LYS 34 15.043 18.817 -3.009 267 1HB LYS 34 2HB LYS 34 14.104 17.083 -1.626 268 2HB LYS 34 3HB LYS 34 15.124 15.861 -2.356 269 1HG LYS 34 2HG LYS 34 16.960 17.809 -1.498 270 2HG LYS 34 3HG LYS 34 15.758 17.797 -0.223 271 1HD LYS 34 2HD LYS 34 16.864 15.180 -1.288 272 2HD LYS 34 3HD LYS 34 17.781 16.103 -0.115 273 1HE LYS 34 2HE LYS 34 14.885 15.710 0.538 274 2HE LYS 34 3HE LYS 34 15.865 14.258 0.559 275 1HZ LYS 34 1HZ LYS 34 15.703 16.007 2.560 276 2HZ LYS 34 2HZ LYS 34 16.935 14.953 2.361 277 3HZ LYS 34 3HZ LYS 34 17.087 16.496 1.845 278 H TYR 35 HN TYR 35 16.197 16.000 -4.928 279 HA TYR 35 HA TYR 35 18.928 16.965 -4.726 280 1HB TYR 35 2HB TYR 35 18.242 14.518 -4.614 281 2HB TYR 35 3HB TYR 35 17.504 14.659 -6.198 282 HD1 TYR 35 HD1 TYR 35 18.810 14.494 -8.200 283 HD2 TYR 35 HD2 TYR 35 20.743 14.671 -4.387 284 HE1 TYR 35 HE1 TYR 35 21.015 13.832 -9.278 285 HE2 TYR 35 HE2 TYR 35 22.940 14.008 -5.478 286 HH TYR 35 HH TYR 35 23.712 12.877 -7.423 287 H LEU 36 HN LEU 36 16.743 18.556 -6.129 288 HA LEU 36 HA LEU 36 17.431 18.301 -8.914 289 1HB LEU 36 2HB LEU 36 15.166 18.792 -8.352 290 2HB LEU 36 3HB LEU 36 15.636 20.155 -7.355 291 HG LEU 36 HG LEU 36 14.647 20.807 -9.529 292 1HD1 LEU 36 1HD1 LEU 36 16.873 21.882 -8.243 293 2HD1 LEU 36 2HD1 LEU 36 17.307 21.888 -9.970 294 3HD1 LEU 36 3HD1 LEU 36 15.817 22.695 -9.423 295 1HD2 LEU 36 1HD2 LEU 36 16.966 19.229 -10.606 296 2HD2 LEU 36 2HD2 LEU 36 15.254 19.214 -11.094 297 3HD2 LEU 36 3HD2 LEU 36 16.292 20.592 -11.531 298 H GLU 37 HN GLU 37 17.958 20.652 -6.213 299 HA GLU 37 HA GLU 37 19.740 22.126 -7.929 300 1HB GLU 37 2HB GLU 37 19.818 23.757 -6.094 301 2HB GLU 37 3HB GLU 37 18.155 23.341 -6.456 302 1HG GLU 37 2HG GLU 37 17.857 22.168 -4.464 303 2HG GLU 37 3HG GLU 37 19.536 21.676 -4.370 304 H GLU 38 HN GLU 38 19.910 19.380 -5.984 305 HA GLU 38 HA GLU 38 22.515 19.989 -4.923 306 1HB GLU 38 2HB GLU 38 20.368 18.225 -4.220 307 2HB GLU 38 3HB GLU 38 21.757 17.217 -4.578 308 1HG GLU 38 2HG GLU 38 21.795 19.606 -2.675 309 2HG GLU 38 3HG GLU 38 21.659 17.934 -2.169 310 H HIS 39 HN HIS 39 21.032 18.525 -7.721 311 HA HIS 39 HA HIS 39 22.801 16.576 -8.418 312 1HB HIS 39 2HB HIS 39 20.648 17.310 -9.557 313 2HB HIS 39 3HB HIS 39 21.587 18.552 -10.360 314 HD1 HIS 39 HD1 HIS 39 21.662 17.723 -12.737 315 HD2 HIS 39 HD2 HIS 39 22.688 14.747 -9.964 316 HE1 HIS 39 HE1 HIS 39 22.442 15.712 -14.101 317 HA PRO 40 HA PRO 40 26.489 18.850 -8.912 318 1HB PRO 40 2HB PRO 40 28.129 16.753 -9.533 319 2HB PRO 40 3HB PRO 40 27.735 17.206 -7.887 320 1HG PRO 40 2HG PRO 40 26.726 14.925 -9.472 321 2HG PRO 40 3HG PRO 40 26.687 15.157 -7.735 322 1HD PRO 40 2HD PRO 40 24.495 15.471 -9.559 323 2HD PRO 40 3HD PRO 40 24.487 15.815 -7.840 324 H GLY 41 HN GLY 41 25.260 16.658 -11.315 325 1HA GLY 41 1HA GLY 41 26.927 17.458 -13.429 326 2HA GLY 41 2HA GLY 41 25.341 16.721 -13.561 327 H GLY 42 HN GLY 42 23.437 18.338 -12.875 328 1HA GLY 42 1HA GLY 42 23.847 21.113 -13.276 329 2HA GLY 42 2HA GLY 42 23.331 20.361 -14.773 330 H GLU 43 HN GLU 43 21.892 22.290 -12.966 331 HA GLU 43 HA GLU 43 19.804 20.648 -11.864 332 1HB GLU 43 2HB GLU 43 18.911 22.769 -10.978 333 2HB GLU 43 3HB GLU 43 20.612 22.606 -10.592 334 1HG GLU 43 2HG GLU 43 20.812 23.901 -12.996 335 2HG GLU 43 3HG GLU 43 19.262 24.519 -12.458 336 H GLU 44 HN GLU 44 20.427 22.873 -14.599 337 HA GLU 44 HA GLU 44 17.752 23.086 -15.378 338 1HB GLU 44 2HB GLU 44 20.323 23.423 -16.986 339 2HB GLU 44 3HB GLU 44 18.734 23.909 -17.546 340 1HG GLU 44 2HG GLU 44 19.177 24.977 -14.875 341 2HG GLU 44 3HG GLU 44 20.536 25.398 -15.897 342 H VAL 45 HN VAL 45 20.501 21.055 -16.619 343 HA VAL 45 HA VAL 45 19.330 19.728 -18.624 344 HB VAL 45 HB VAL 45 21.490 19.123 -18.296 345 1HG1 VAL 45 1HG1 VAL 45 22.158 18.216 -15.857 346 2HG1 VAL 45 2HG1 VAL 45 22.212 19.940 -16.294 347 3HG1 VAL 45 3HG1 VAL 45 20.817 19.293 -15.398 348 1HG2 VAL 45 1HG2 VAL 45 20.562 16.781 -16.691 349 2HG2 VAL 45 2HG2 VAL 45 19.786 17.064 -18.267 350 3HG2 VAL 45 3HG2 VAL 45 21.549 16.841 -18.172 351 H LEU 46 HN LEU 46 18.521 19.510 -15.183 352 HA LEU 46 HA LEU 46 16.900 17.157 -15.601 353 1HB LEU 46 2HB LEU 46 16.913 18.815 -13.108 354 2HB LEU 46 3HB LEU 46 16.642 17.094 -13.299 355 HG LEU 46 HG LEU 46 19.337 18.279 -13.928 356 1HD1 LEU 46 1HD1 LEU 46 18.490 17.372 -11.166 357 2HD1 LEU 46 2HD1 LEU 46 20.069 18.026 -11.662 358 3HD1 LEU 46 3HD1 LEU 46 18.631 19.074 -11.666 359 1HD2 LEU 46 1HD2 LEU 46 18.230 15.559 -13.327 360 2HD2 LEU 46 2HD2 LEU 46 19.339 16.085 -14.617 361 3HD2 LEU 46 3HD2 LEU 46 19.931 15.922 -12.945 362 H ARG 47 HN ARG 47 16.347 20.583 -14.510 363 HA ARG 47 HA ARG 47 13.609 20.398 -14.650 364 1HB ARG 47 2HB ARG 47 15.370 22.866 -15.078 365 2HB ARG 47 3HB ARG 47 13.667 22.906 -14.666 366 1HG ARG 47 2HG ARG 47 14.488 21.331 -12.638 367 2HG ARG 47 3HG ARG 47 16.019 22.123 -12.951 368 1HD ARG 47 2HD ARG 47 13.383 23.585 -12.430 369 2HD ARG 47 3HD ARG 47 14.636 23.330 -11.231 370 HE ARG 47 HE ARG 47 14.725 25.218 -13.489 371 1HH1 ARG 47 1HH1 ARG 47 17.829 26.465 -12.498 372 2HH1 ARG 47 2HH1 ARG 47 16.464 26.699 -13.539 373 1HH2 ARG 47 1HH2 ARG 47 17.891 24.650 -11.054 374 2HH2 ARG 47 2HH2 ARG 47 16.573 23.527 -11.017 375 H GLU 48 HN GLU 48 15.944 21.912 -17.008 376 HA GLU 48 HA GLU 48 14.402 22.783 -18.915 377 1HB GLU 48 2HB GLU 48 16.858 22.698 -19.078 378 2HB GLU 48 3HB GLU 48 16.813 20.965 -19.336 379 1HG GLU 48 2HG GLU 48 15.297 21.487 -21.393 380 2HG GLU 48 3HG GLU 48 15.805 23.152 -21.196 381 H GLN 49 HN GLN 49 15.072 19.275 -18.363 382 HA GLN 49 HA GLN 49 12.702 18.746 -19.966 383 1HB GLN 49 2HB GLN 49 13.838 16.699 -20.879 384 2HB GLN 49 3HB GLN 49 14.572 18.197 -21.415 385 1HG GLN 49 2HG GLN 49 16.019 17.741 -19.122 386 2HG GLN 49 3HG GLN 49 15.664 16.092 -19.596 387 1HE2 GLN 49 1HE2 GLN 49 18.223 17.060 -19.551 388 2HE2 GLN 49 2HE2 GLN 49 18.870 17.172 -21.154 389 H ALA 50 HN ALA 50 12.344 19.009 -17.329 390 HA ALA 50 HA ALA 50 12.958 16.669 -15.840 391 1HB ALA 50 1HB ALA 50 12.637 18.394 -14.387 392 2HB ALA 50 2HB ALA 50 11.511 19.239 -15.477 393 3HB ALA 50 3HB ALA 50 10.934 17.886 -14.475 394 H GLY 51 HN GLY 51 9.603 17.858 -16.008 395 1HA GLY 51 1HA GLY 51 8.292 15.528 -15.858 396 2HA GLY 51 2HA GLY 51 7.706 16.890 -16.791 397 H GLY 52 HN GLY 52 10.023 16.786 -18.725 398 1HA GLY 52 1HA GLY 52 8.864 15.161 -20.685 399 2HA GLY 52 2HA GLY 52 10.462 15.880 -20.732 400 H ASP 53 HN ASP 53 11.662 14.146 -21.535 401 HA ASP 53 HA ASP 53 11.744 11.852 -19.743 402 1HB ASP 53 2HB ASP 53 12.065 10.371 -21.681 403 2HB ASP 53 3HB ASP 53 10.556 11.245 -21.842 404 H ALA 54 HN ALA 54 13.812 11.859 -18.849 405 HA ALA 54 HA ALA 54 16.001 12.801 -20.574 406 1HB ALA 54 1HB ALA 54 16.124 12.789 -17.561 407 2HB ALA 54 2HB ALA 54 16.978 13.832 -18.724 408 3HB ALA 54 3HB ALA 54 15.247 14.091 -18.402 409 H THR 55 HN THR 55 14.662 10.051 -20.179 410 HA THR 55 HA THR 55 16.210 8.376 -18.641 411 HB THR 55 HB THR 55 14.666 8.070 -21.253 412 HG1 THR 55 HG1 THR 55 13.171 7.308 -19.707 413 1HG2 THR 55 1HG2 THR 55 16.625 6.284 -20.774 414 2HG2 THR 55 2HG2 THR 55 15.463 5.697 -19.560 415 3HG2 THR 55 3HG2 THR 55 15.004 5.747 -21.279 416 H GLU 56 HN GLU 56 16.709 9.075 -22.171 417 HA GLU 56 HA GLU 56 19.142 7.720 -22.204 418 1HB GLU 56 2HB GLU 56 18.022 9.861 -24.066 419 2HB GLU 56 3HB GLU 56 19.453 8.911 -24.416 420 1HG GLU 56 2HG GLU 56 16.947 7.421 -23.649 421 2HG GLU 56 3HG GLU 56 16.999 8.154 -25.240 422 H ASN 57 HN ASN 57 18.247 11.178 -21.732 423 HA ASN 57 HA ASN 57 20.839 12.152 -21.836 424 1HB ASN 57 2HB ASN 57 18.164 13.104 -20.939 425 2HB ASN 57 3HB ASN 57 19.490 13.861 -20.079 426 1HD2 ASN 57 1HD2 ASN 57 20.599 15.439 -20.999 427 2HD2 ASN 57 2HD2 ASN 57 20.477 15.958 -22.647 428 H PHE 58 HN PHE 58 19.234 10.115 -19.576 429 HA PHE 58 HA PHE 58 20.868 11.027 -17.335 430 1HB PHE 58 2HB PHE 58 18.407 10.642 -17.026 431 2HB PHE 58 3HB PHE 58 18.556 9.029 -17.692 432 HD1 PHE 58 HD1 PHE 58 18.781 7.238 -16.244 433 HD2 PHE 58 HD2 PHE 58 19.868 11.108 -14.887 434 HE1 PHE 58 HE1 PHE 58 19.164 6.322 -13.939 435 HE2 PHE 58 HE2 PHE 58 20.252 10.193 -12.582 436 HZ PHE 58 HZ PHE 58 19.895 7.810 -12.135 437 H GLU 59 HN GLU 59 20.177 8.172 -19.426 438 HA GLU 59 HA GLU 59 22.096 6.604 -18.014 439 1HB GLU 59 2HB GLU 59 21.512 4.844 -19.613 440 2HB GLU 59 3HB GLU 59 20.049 5.600 -19.015 441 1HG GLU 59 2HG GLU 59 19.442 6.059 -21.149 442 2HG GLU 59 3HG GLU 59 20.821 7.130 -21.294 443 H ASP 60 HN ASP 60 21.960 8.692 -20.874 444 HA ASP 60 HA ASP 60 24.145 7.692 -22.220 445 1HB ASP 60 2HB ASP 60 22.561 9.359 -23.153 446 2HB ASP 60 3HB ASP 60 23.106 10.556 -21.996 447 H VAL 61 HN VAL 61 23.781 10.121 -19.569 448 HA VAL 61 HA VAL 61 26.502 10.905 -19.567 449 HB VAL 61 HB VAL 61 25.936 12.108 -17.595 450 1HG1 VAL 61 1HG1 VAL 61 23.503 12.958 -18.378 451 2HG1 VAL 61 2HG1 VAL 61 25.005 13.383 -19.234 452 3HG1 VAL 61 3HG1 VAL 61 23.981 12.059 -19.838 453 1HG2 VAL 61 1HG2 VAL 61 23.190 11.244 -17.183 454 2HG2 VAL 61 2HG2 VAL 61 24.337 9.901 -16.963 455 3HG2 VAL 61 3HG2 VAL 61 24.524 11.397 -16.015 456 H GLY 62 HN GLY 62 24.799 8.081 -18.504 457 1HA GLY 62 1HA GLY 62 25.482 6.234 -17.422 458 2HA GLY 62 2HA GLY 62 27.133 6.766 -17.676 459 H HIS 63 HN HIS 63 24.300 6.952 -15.492 460 HA HIS 63 HA HIS 63 25.655 8.493 -13.535 461 1HB HIS 63 2HB HIS 63 23.071 6.955 -13.644 462 2HB HIS 63 3HB HIS 63 23.663 7.571 -12.114 463 HD1 HIS 63 HD1 HIS 63 22.954 8.947 -15.630 464 HD2 HIS 63 HD2 HIS 63 22.854 10.128 -11.605 465 HE1 HIS 63 HE1 HIS 63 21.983 11.306 -15.601 466 H SER 64 HN SER 64 26.715 7.834 -11.645 467 HA SER 64 HA SER 64 27.806 5.218 -11.804 468 1HB SER 64 2HB SER 64 28.130 7.382 -9.678 469 2HB SER 64 3HB SER 64 29.103 5.929 -9.788 470 HG SER 64 HG SER 64 29.332 8.301 -11.190 471 H THR 65 HN THR 65 27.967 3.921 -9.581 472 HA THR 65 HA THR 65 25.450 2.977 -8.958 473 HB THR 65 HB THR 65 28.241 2.787 -7.851 474 HG1 THR 65 HG1 THR 65 26.043 0.941 -8.469 475 1HG2 THR 65 1HG2 THR 65 26.735 2.932 -5.792 476 2HG2 THR 65 2HG2 THR 65 25.811 1.562 -6.451 477 3HG2 THR 65 3HG2 THR 65 27.521 1.349 -6.003 478 H ASP 66 HN ASP 66 27.434 5.442 -7.217 479 HA ASP 66 HA ASP 66 26.038 5.785 -5.007 480 1HB ASP 66 2HB ASP 66 27.737 7.399 -6.656 481 2HB ASP 66 3HB ASP 66 26.384 8.416 -6.203 482 H ALA 67 HN ALA 67 25.152 6.931 -8.320 483 HA ALA 67 HA ALA 67 22.873 8.387 -7.533 484 1HB ALA 67 1HB ALA 67 24.204 8.564 -9.695 485 2HB ALA 67 2HB ALA 67 23.404 7.062 -10.217 486 3HB ALA 67 3HB ALA 67 22.435 8.518 -9.890 487 H ARG 68 HN ARG 68 23.395 5.007 -8.723 488 HA ARG 68 HA ARG 68 20.916 4.171 -9.063 489 1HB ARG 68 2HB ARG 68 23.288 2.907 -8.897 490 2HB ARG 68 3HB ARG 68 22.678 2.430 -7.325 491 1HG ARG 68 2HG ARG 68 21.601 0.743 -8.409 492 2HG ARG 68 3HG ARG 68 20.476 1.965 -8.970 493 1HD ARG 68 2HD ARG 68 21.254 1.854 -11.117 494 2HD ARG 68 3HD ARG 68 22.929 1.914 -10.605 495 HE ARG 68 HE ARG 68 21.583 -0.655 -10.087 496 1HH1 ARG 68 1HH1 ARG 68 23.497 -2.295 -12.500 497 2HH1 ARG 68 2HH1 ARG 68 22.392 -2.491 -11.181 498 1HH2 ARG 68 1HH2 ARG 68 24.156 -0.169 -13.155 499 2HH2 ARG 68 2HH2 ARG 68 23.543 1.223 -12.326 500 H GLU 69 HN GLU 69 22.582 4.589 -5.880 501 HA GLU 69 HA GLU 69 20.476 3.547 -4.372 502 1HB GLU 69 2HB GLU 69 23.048 4.901 -3.897 503 2HB GLU 69 3HB GLU 69 21.841 5.350 -2.709 504 1HG GLU 69 2HG GLU 69 22.003 3.333 -1.685 505 2HG GLU 69 3HG GLU 69 21.674 2.488 -3.185 506 H LEU 70 HN LEU 70 21.504 6.964 -5.079 507 HA LEU 70 HA LEU 70 19.472 8.216 -3.697 508 1HB LEU 70 2HB LEU 70 21.259 8.928 -5.977 509 2HB LEU 70 3HB LEU 70 19.905 9.984 -5.625 510 HG LEU 70 HG LEU 70 20.765 10.669 -3.596 511 1HD1 LEU 70 1HD1 LEU 70 21.076 8.793 -2.306 512 2HD1 LEU 70 2HD1 LEU 70 22.103 7.990 -3.518 513 3HD1 LEU 70 3HD1 LEU 70 22.758 9.326 -2.540 514 1HD2 LEU 70 1HD2 LEU 70 22.661 10.474 -5.766 515 2HD2 LEU 70 2HD2 LEU 70 22.400 11.788 -4.595 516 3HD2 LEU 70 3HD2 LEU 70 23.497 10.445 -4.194 517 H SER 71 HN SER 71 19.567 7.764 -7.305 518 HA SER 71 HA SER 71 17.191 8.505 -8.012 519 1HB SER 71 2HB SER 71 17.142 6.320 -9.516 520 2HB SER 71 3HB SER 71 18.382 7.534 -9.753 521 HG SER 71 HG SER 71 18.582 4.936 -8.599 522 H LYS 72 HN LYS 72 17.775 5.158 -6.694 523 HA LYS 72 HA LYS 72 15.129 4.375 -6.629 524 1HB LYS 72 2HB LYS 72 17.589 3.283 -5.968 525 2HB LYS 72 3HB LYS 72 16.762 3.336 -4.425 526 1HG LYS 72 2HG LYS 72 15.045 1.898 -5.128 527 2HG LYS 72 3HG LYS 72 15.209 2.347 -6.814 528 1HD LYS 72 2HD LYS 72 16.885 0.810 -7.209 529 2HD LYS 72 3HD LYS 72 17.617 1.038 -5.633 530 1HE LYS 72 2HE LYS 72 15.983 -0.391 -4.558 531 2HE LYS 72 3HE LYS 72 14.949 -0.396 -5.972 532 1HZ LYS 72 1HZ LYS 72 16.324 -1.822 -7.054 533 2HZ LYS 72 2HZ LYS 72 17.672 -1.366 -6.252 534 3HZ LYS 72 3HZ LYS 72 16.574 -2.331 -5.523 535 H THR 73 HN THR 73 17.125 5.864 -3.981 536 HA THR 73 HA THR 73 15.054 6.018 -2.126 537 HB THR 73 HB THR 73 17.797 7.056 -2.544 538 HG1 THR 73 HG1 THR 73 17.511 6.637 -0.100 539 1HG2 THR 73 1HG2 THR 73 16.616 9.250 -2.170 540 2HG2 THR 73 2HG2 THR 73 15.848 8.562 -0.719 541 3HG2 THR 73 3HG2 THR 73 17.613 8.785 -0.771 542 H TYR 74 HN TYR 74 15.807 8.028 -4.946 543 HA TYR 74 HA TYR 74 13.780 9.952 -4.083 544 1HB TYR 74 2HB TYR 74 15.999 9.737 -6.187 545 2HB TYR 74 3HB TYR 74 14.775 10.980 -6.349 546 HD1 TYR 74 HD1 TYR 74 17.627 9.804 -4.329 547 HD2 TYR 74 HD2 TYR 74 14.734 12.909 -4.870 548 HE1 TYR 74 HE1 TYR 74 18.950 11.319 -2.773 549 HE2 TYR 74 HE2 TYR 74 16.067 14.413 -3.314 550 HH TYR 74 HH TYR 74 18.906 13.182 -1.614 551 H ILE 75 HN ILE 75 12.831 7.330 -4.750 552 HA ILE 75 HA ILE 75 11.532 7.910 -7.321 553 HB ILE 75 HB ILE 75 13.199 5.940 -7.121 554 1HG1 ILE 75 2HG1 ILE 75 10.416 5.613 -8.283 555 2HG1 ILE 75 3HG1 ILE 75 11.788 6.373 -9.065 556 1HG2 ILE 75 1HG2 ILE 75 11.794 5.208 -4.971 557 2HG2 ILE 75 2HG2 ILE 75 10.876 4.316 -6.208 558 3HG2 ILE 75 3HG2 ILE 75 12.624 4.036 -6.024 559 1HD1 ILE 75 1HD1 ILE 75 11.474 4.021 -9.828 560 2HD1 ILE 75 2HD1 ILE 75 13.044 4.242 -9.018 561 3HD1 ILE 75 3HD1 ILE 75 11.699 3.460 -8.153 562 H ILE 76 HN ILE 76 9.273 7.563 -7.456 563 HA ILE 76 HA ILE 76 7.993 6.989 -4.879 564 HB ILE 76 HB ILE 76 6.495 8.760 -5.114 565 1HG1 ILE 76 2HG1 ILE 76 6.227 8.361 -7.639 566 2HG1 ILE 76 3HG1 ILE 76 6.012 9.989 -7.029 567 1HG2 ILE 76 1HG2 ILE 76 9.308 9.599 -5.808 568 2HG2 ILE 76 2HG2 ILE 76 8.016 10.779 -5.487 569 3HG2 ILE 76 3HG2 ILE 76 8.490 9.616 -4.227 570 1HD1 ILE 76 1HD1 ILE 76 7.414 10.254 -8.933 571 2HD1 ILE 76 2HD1 ILE 76 8.535 10.343 -7.553 572 3HD1 ILE 76 3HD1 ILE 76 8.408 8.842 -8.502 573 H GLY 77 HN GLY 77 7.898 6.973 -8.464 574 1HA GLY 77 1HA GLY 77 6.724 4.463 -8.653 575 2HA GLY 77 2HA GLY 77 5.416 5.627 -8.697 576 H GLU 78 HN GLU 78 5.201 4.643 -10.961 577 HA GLU 78 HA GLU 78 7.041 6.030 -12.751 578 1HB GLU 78 2HB GLU 78 6.624 4.256 -14.402 579 2HB GLU 78 3HB GLU 78 7.221 3.564 -12.907 580 1HG GLU 78 2HG GLU 78 5.214 2.521 -12.419 581 2HG GLU 78 3HG GLU 78 4.247 3.817 -13.096 582 H LEU 79 HN LEU 79 5.916 6.412 -15.030 583 HA LEU 79 HA LEU 79 3.273 7.532 -14.430 584 1HB LEU 79 2HB LEU 79 3.731 9.302 -15.787 585 2HB LEU 79 3HB LEU 79 5.305 8.986 -15.084 586 HG LEU 79 HG LEU 79 5.582 9.469 -17.414 587 1HD1 LEU 79 1HD1 LEU 79 7.066 7.767 -16.480 588 2HD1 LEU 79 2HD1 LEU 79 5.918 6.492 -16.953 589 3HD1 LEU 79 3HD1 LEU 79 6.736 7.462 -18.201 590 1HD2 LEU 79 1HD2 LEU 79 4.091 8.964 -18.975 591 2HD2 LEU 79 2HD2 LEU 79 4.288 7.223 -18.667 592 3HD2 LEU 79 3HD2 LEU 79 3.106 8.164 -17.727 593 H HIS 80 HN HIS 80 1.575 7.309 -16.015 594 HA HIS 80 HA HIS 80 1.127 4.845 -16.926 595 1HB HIS 80 2HB HIS 80 -0.304 7.046 -16.945 596 2HB HIS 80 3HB HIS 80 0.234 7.170 -18.607 597 HD1 HIS 80 HD1 HIS 80 -2.747 6.764 -18.053 598 HD2 HIS 80 HD2 HIS 80 -0.064 3.601 -18.678 599 HE1 HIS 80 HE1 HIS 80 -4.150 4.778 -18.826 600 HA PRO 81 HA PRO 81 4.268 4.540 -20.011 601 1HB PRO 81 2HB PRO 81 4.357 1.809 -20.089 602 2HB PRO 81 3HB PRO 81 5.320 2.768 -18.983 603 1HG PRO 81 2HG PRO 81 2.900 1.165 -18.423 604 2HG PRO 81 3HG PRO 81 4.102 1.768 -17.299 605 1HD PRO 81 2HD PRO 81 1.477 2.838 -17.746 606 2HD PRO 81 3HD PRO 81 2.719 3.508 -16.708 607 H ASP 82 HN ASP 82 1.067 4.192 -20.126 608 HA ASP 82 HA ASP 82 0.918 2.767 -22.570 609 1HB ASP 82 2HB ASP 82 -0.886 3.101 -20.683 610 2HB ASP 82 3HB ASP 82 -1.217 4.630 -21.471 611 H ASP 83 HN ASP 83 1.053 6.165 -21.433 612 HA ASP 83 HA ASP 83 0.630 7.096 -24.138 613 1HB ASP 83 2HB ASP 83 0.400 8.230 -21.402 614 2HB ASP 83 3HB ASP 83 1.128 9.335 -22.552 615 H ARG 84 HN ARG 84 3.124 5.694 -22.760 616 HA ARG 84 HA ARG 84 5.120 7.560 -22.493 617 1HB ARG 84 2HB ARG 84 6.662 5.665 -22.653 618 2HB ARG 84 3HB ARG 84 5.231 5.136 -21.790 619 1HG ARG 84 2HG ARG 84 5.302 3.395 -23.292 620 2HG ARG 84 3HG ARG 84 4.440 4.521 -24.321 621 1HD ARG 84 2HD ARG 84 6.225 3.778 -25.699 622 2HD ARG 84 3HD ARG 84 6.788 5.331 -25.117 623 HE ARG 84 HE ARG 84 7.563 3.052 -23.423 624 1HH1 ARG 84 1HH1 ARG 84 10.920 3.339 -24.332 625 2HH1 ARG 84 2HH1 ARG 84 9.796 2.600 -23.241 626 1HH2 ARG 84 1HH2 ARG 84 10.159 4.786 -25.979 627 2HH2 ARG 84 2HH2 ARG 84 8.466 5.127 -26.116 628 H SER 85 HN SER 85 3.430 6.461 -25.310 629 HA SER 85 HA SER 85 5.615 6.952 -27.092 630 1HB SER 85 2HB SER 85 4.152 5.202 -27.783 631 2HB SER 85 3HB SER 85 2.713 6.141 -27.434 632 HG SER 85 HG SER 85 2.750 6.822 -29.453 633 H LYS 86 HN LYS 86 2.694 8.575 -25.837 634 HA LYS 86 HA LYS 86 3.059 10.775 -27.705 635 1HB LYS 86 2HB LYS 86 0.830 9.584 -26.395 636 2HB LYS 86 3HB LYS 86 0.967 11.222 -25.790 637 1HG LYS 86 2HG LYS 86 1.464 11.363 -28.606 638 2HG LYS 86 3HG LYS 86 0.072 10.317 -28.405 639 1HD LYS 86 2HD LYS 86 0.187 12.906 -26.843 640 2HD LYS 86 3HD LYS 86 -0.223 12.965 -28.545 641 1HE LYS 86 2HE LYS 86 -1.712 10.822 -27.224 642 2HE LYS 86 3HE LYS 86 -1.961 12.338 -26.384 643 1HZ LYS 86 1HZ LYS 86 -2.612 13.343 -28.432 644 2HZ LYS 86 2HZ LYS 86 -2.267 11.995 -29.286 645 3HZ LYS 86 3HZ LYS 86 -3.501 11.990 -28.216 646 H ILE 87 HN ILE 87 5.224 10.254 -25.888 647 HA ILE 87 HA ILE 87 4.899 12.303 -23.842 648 HB ILE 87 HB ILE 87 5.969 9.875 -23.662 649 1HG1 ILE 87 2HG1 ILE 87 7.297 10.770 -21.705 650 2HG1 ILE 87 3HG1 ILE 87 6.863 12.387 -22.225 651 1HG2 ILE 87 1HG2 ILE 87 7.720 10.163 -25.278 652 2HG2 ILE 87 2HG2 ILE 87 8.288 11.645 -24.474 653 3HG2 ILE 87 3HG2 ILE 87 8.452 10.072 -23.658 654 1HD1 ILE 87 1HD1 ILE 87 4.432 10.905 -22.242 655 2HD1 ILE 87 2HD1 ILE 87 5.272 10.466 -20.736 656 3HD1 ILE 87 3HD1 ILE 87 4.917 12.173 -21.091 657 H ALA 88 HN ALA 88 6.231 11.749 -27.033 658 HA ALA 88 HA ALA 88 8.332 13.534 -27.058 659 1HB ALA 88 1HB ALA 88 8.275 13.217 -29.341 660 2HB ALA 88 2HB ALA 88 7.250 11.852 -28.838 661 3HB ALA 88 3HB ALA 88 6.503 13.356 -29.426 662 HHA HEM 95 HA HEM 95 27.031 13.135 -13.029 663 HHB HEM 95 HB HEM 95 22.995 11.191 -8.548 664 HHC HEM 95 HC HEM 95 18.116 12.598 -12.407 665 HHD HEM 95 HD HEM 95 22.203 14.584 -16.820 666 1HMA HEM 95 1HMA HEM 95 25.885 11.692 -7.593 667 2HMA HEM 95 2HMA HEM 95 26.517 10.209 -8.413 668 3HMA HEM 95 3HMA HEM 95 24.789 10.291 -7.952 669 1HAA HEM 95 1HAA HEM 95 28.028 11.357 -11.723 670 2HAA HEM 95 2HAA HEM 95 27.718 10.551 -10.077 671 1HBA HEM 95 1HBA HEM 95 28.689 11.835 -8.765 672 2HBA HEM 95 2HBA HEM 95 28.857 13.185 -9.943 673 1HMB HEM 95 1HMB HEM 95 20.229 11.746 -7.120 674 2HMB HEM 95 2HMB HEM 95 21.306 10.392 -7.664 675 3HMB HEM 95 3HMB HEM 95 19.537 10.197 -7.769 676 HAB HEM 95 HAB HEM 95 17.503 12.493 -9.589 677 1HBB HEM 95 HBB HEM 95 17.662 9.413 -9.715 678 2HBB HEM 95 HBB HEM 95 16.173 10.521 -9.425 679 1HMC HEM 95 1HMC HEM 95 16.953 14.176 -14.560 680 2HMC HEM 95 2HMC HEM 95 17.199 12.398 -14.304 681 3HMC HEM 95 3HMC HEM 95 17.256 13.075 -15.960 682 HAC HEM 95 HAC HEM 95 20.418 14.510 -17.709 683 1HBC HEM 95 HBC HEM 95 17.654 15.283 -16.569 684 2HBC HEM 95 HBC HEM 95 18.323 15.582 -18.298 685 1HMD HEM 95 1HMD HEM 95 24.568 16.315 -16.974 686 2HMD HEM 95 2HMD HEM 95 24.330 14.787 -17.921 687 3HMD HEM 95 3HMD HEM 95 25.994 15.332 -17.482 688 1HAD HEM 95 1HAD HEM 95 27.816 14.485 -14.245 689 2HAD HEM 95 2HAD HEM 95 27.475 15.351 -15.769 690 1HBD HEM 95 1HBD HEM 95 27.592 13.070 -16.992 691 2HBD HEM 95 2HBD HEM 95 28.118 12.331 -15.470
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