NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5398 | 1hdj | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 0 H MET 0 12.999 -3.260 10.040 2 HA MET 0 HA MET 0 14.069 -1.394 8.615 3 1HB MET 0 1HB MET 0 15.362 -2.765 10.181 4 2HB MET 0 2HB MET 0 15.506 -4.056 8.985 5 1HG MET 0 1HG MET 0 16.535 -1.255 8.421 6 2HG MET 0 2HG MET 0 17.457 -2.381 9.402 7 1HE MET 0 1HE MET 0 19.568 -2.470 8.097 8 2HE MET 0 2HE MET 0 19.676 -2.655 6.335 9 3HE MET 0 3HE MET 0 18.946 -1.190 7.027 10 QB MET 0 QB MET 0 15.434 -3.410 9.583 11 QG MET 0 QG MET 0 16.996 -1.818 8.911 12 QE MET 0 QE MET 0 19.397 -2.105 7.153 13 H GLY 1 H GLY 1 14.865 -0.805 6.530 14 1HA GLY 1 1HA GLY 1 14.699 -0.859 4.233 15 2HA GLY 1 2HA GLY 1 14.731 -2.626 4.322 16 QA GLY 1 QA GLY 1 14.715 -1.742 4.277 17 H LYS 2 H LYS 2 12.414 -0.520 5.927 18 HA LYS 2 HA LYS 2 10.223 -2.124 5.626 19 1HB LYS 2 1HB LYS 2 8.920 -0.195 6.405 20 2HB LYS 2 2HB LYS 2 10.437 -0.355 7.277 21 1HG LYS 2 1HG LYS 2 11.115 1.347 5.163 22 2HG LYS 2 2HG LYS 2 9.465 1.799 5.468 23 1HD LYS 2 1HD LYS 2 11.409 1.634 7.773 24 2HD LYS 2 2HD LYS 2 11.550 2.963 6.631 25 1HE LYS 2 1HE LYS 2 8.937 2.304 8.008 26 2HE LYS 2 2HE LYS 2 10.135 3.428 8.676 27 1HZ LYS 2 2HZ LYS 2 9.926 4.621 6.455 28 2HZ LYS 2 3HZ LYS 2 8.540 3.756 6.235 29 3HZ LYS 2 1HZ LYS 2 8.685 4.743 7.508 30 QB LYS 2 QB LYS 2 9.679 -0.275 6.841 31 QG LYS 2 QG LYS 2 10.290 1.573 5.316 32 QD LYS 2 QD LYS 2 11.480 2.298 7.202 33 QE LYS 2 QE LYS 2 9.536 2.866 8.342 34 QZ LYS 2 QZ LYS 2 9.050 4.373 6.733 35 H ASP 3 H ASP 3 9.272 -2.889 3.766 36 HA ASP 3 HA ASP 3 9.245 -1.193 1.358 37 1HB ASP 3 1HB ASP 3 7.909 -3.883 1.774 38 2HB ASP 3 2HB ASP 3 8.065 -3.012 0.258 39 QB ASP 3 QB ASP 3 7.987 -3.448 1.016 40 H TYR 4 H TYR 4 7.372 -0.374 0.405 41 HA TYR 4 HA TYR 4 4.819 -0.410 1.981 42 1HB TYR 4 1HB TYR 4 5.838 1.769 0.103 43 2HB TYR 4 2HB TYR 4 4.213 1.647 0.723 44 HD1 TYR 4 2HD TYR 4 7.758 1.690 2.134 45 HD2 TYR 4 1HD TYR 4 3.666 3.065 2.506 46 HE1 TYR 4 2HE TYR 4 8.359 2.978 4.098 47 HE2 TYR 4 1HE TYR 4 4.254 4.284 4.521 48 HH TYR 4 HH TYR 4 5.945 4.188 6.354 49 QB TYR 4 QB TYR 4 5.025 1.708 0.413 50 QG TYR 4 QD TYR 4 5.712 2.377 2.320 51 QZ TYR 4 QE TYR 4 6.306 3.631 4.309 52 QR TYR 4 QR TYR 4 6.009 3.004 3.315 53 H TYR 5 H TYR 5 6.037 0.207 -1.329 54 HA TYR 5 HA TYR 5 3.891 -0.746 -2.868 55 1HB TYR 5 1HB TYR 5 6.806 -0.276 -3.288 56 2HB TYR 5 2HB TYR 5 5.968 -1.296 -4.427 57 HD1 TYR 5 1HD TYR 5 5.635 2.093 -2.802 58 HD2 TYR 5 2HD TYR 5 4.699 -0.440 -6.164 59 HE1 TYR 5 1HE TYR 5 4.865 4.067 -4.088 60 HE2 TYR 5 2HE TYR 5 3.990 1.509 -7.460 61 HH TYR 5 HH TYR 5 3.991 3.819 -7.560 62 QB TYR 5 QB TYR 5 6.387 -0.786 -3.858 63 QG TYR 5 QD TYR 5 5.167 0.827 -4.483 64 QZ TYR 5 QE TYR 5 4.428 2.788 -5.774 65 QR TYR 5 QR TYR 5 4.797 1.807 -5.128 66 H GLN 6 H GLN 6 6.877 -2.614 -1.880 67 HA GLN 6 HA GLN 6 5.756 -5.025 -2.953 68 1HB GLN 6 1HB GLN 6 8.230 -4.392 -2.531 69 2HB GLN 6 2HB GLN 6 7.959 -5.005 -0.899 70 1HG GLN 6 1HG GLN 6 7.043 -7.148 -2.140 71 2HG GLN 6 2HG GLN 6 7.905 -6.495 -3.538 72 1HE2 GLN 6 2HE2 GLN 6 9.922 -8.220 -0.418 73 2HE2 GLN 6 1HE2 GLN 6 8.195 -8.338 -0.685 74 QB GLN 6 QB GLN 6 8.095 -4.699 -1.715 75 QG GLN 6 QG GLN 6 7.474 -6.821 -2.839 76 QE2 GLN 6 QE2 GLN 6 9.058 -8.279 -0.551 77 H THR 7 H THR 7 5.623 -3.642 0.370 78 HA THR 7 HA THR 7 4.702 -6.051 1.602 79 HB THR 7 HB THR 7 4.185 -3.120 2.297 80 HG1 THR 7 1HG THR 7 6.046 -3.242 3.259 81 1HG2 THR 7 3HG2 THR 7 3.766 -5.609 4.009 82 2HG2 THR 7 1HG2 THR 7 3.824 -3.949 4.643 83 3HG2 THR 7 2HG2 THR 7 2.532 -4.423 3.533 84 QG2 THR 7 QG2 THR 7 3.374 -4.660 4.062 85 H LEU 8 H LEU 8 3.114 -3.727 -0.432 86 HA LEU 8 HA LEU 8 0.563 -5.205 -0.112 87 1HB LEU 8 1HB LEU 8 0.835 -2.637 -0.028 88 2HB LEU 8 2HB LEU 8 0.920 -2.713 -1.783 89 HG LEU 8 HG LEU 8 -1.316 -4.259 -0.517 90 1HD1 LEU 8 2HD1 LEU 8 -1.264 -2.294 0.975 91 2HD1 LEU 8 3HD1 LEU 8 -1.436 -1.233 -0.434 92 3HD1 LEU 8 1HD1 LEU 8 -2.730 -2.374 -0.018 93 1HD2 LEU 8 1HD2 LEU 8 -1.016 -3.816 -3.006 94 2HD2 LEU 8 2HD2 LEU 8 -2.593 -3.457 -2.330 95 3HD2 LEU 8 3HD2 LEU 8 -1.466 -2.134 -2.691 96 QB LEU 8 QB LEU 8 0.877 -2.675 -0.905 97 QD1 LEU 8 QD1 LEU 8 -1.810 -1.967 0.174 98 QD2 LEU 8 QD2 LEU 8 -1.692 -3.136 -2.676 99 QQD LEU 8 QQD LEU 8 -1.751 -2.551 -1.251 100 H GLY 9 H GLY 9 3.323 -5.360 -1.948 101 1HA GLY 9 1HA GLY 9 3.864 -7.120 -3.297 102 2HA GLY 9 2HA GLY 9 2.170 -7.402 -3.667 103 QA GLY 9 QA GLY 9 3.017 -7.261 -3.482 104 H LEU 10 H LEU 10 4.105 -4.369 -4.179 105 HA LEU 10 HA LEU 10 3.766 -4.651 -7.129 106 1HB LEU 10 1HB LEU 10 3.113 -2.226 -5.408 107 2HB LEU 10 2HB LEU 10 3.056 -2.264 -7.158 108 HG LEU 10 HG LEU 10 1.365 -4.403 -6.085 109 1HD1 LEU 10 2HD1 LEU 10 0.778 -1.604 -5.092 110 2HD1 LEU 10 3HD1 LEU 10 -0.340 -2.977 -5.046 111 3HD1 LEU 10 1HD1 LEU 10 1.165 -3.033 -4.110 112 1HD2 LEU 10 3HD2 LEU 10 1.202 -3.496 -8.350 113 2HD2 LEU 10 1HD2 LEU 10 -0.334 -3.435 -7.471 114 3HD2 LEU 10 2HD2 LEU 10 0.627 -1.956 -7.681 115 QB LEU 10 QB LEU 10 3.084 -2.245 -6.283 116 QD1 LEU 10 QD1 LEU 10 0.534 -2.538 -4.749 117 QD2 LEU 10 QD2 LEU 10 0.498 -2.962 -7.834 118 QQD LEU 10 QQD LEU 10 0.516 -2.750 -6.292 119 H ALA 11 H ALA 11 5.008 -2.757 -8.204 120 HA ALA 11 HA ALA 11 7.406 -1.788 -6.717 121 1HB ALA 11 1HB ALA 11 8.073 -3.631 -8.275 122 2HB ALA 11 2HB ALA 11 7.278 -2.753 -9.611 123 3HB ALA 11 3HB ALA 11 8.689 -2.046 -8.802 124 QB ALA 11 QB ALA 11 8.013 -2.810 -8.896 125 H ARG 12 H ARG 12 8.334 0.174 -7.773 126 HA ARG 12 HA ARG 12 6.177 2.065 -8.393 127 1HB ARG 12 1HB ARG 12 9.181 2.486 -8.552 128 2HB ARG 12 2HB ARG 12 7.918 3.685 -8.748 129 1HG ARG 12 1HG ARG 12 8.501 4.146 -6.619 130 2HG ARG 12 2HG ARG 12 7.185 3.028 -6.323 131 1HD ARG 12 1HD ARG 12 9.124 2.594 -4.842 132 2HD ARG 12 2HD ARG 12 8.793 1.222 -5.881 133 HE ARG 12 HE ARG 12 10.817 1.410 -6.819 134 1HH1 ARG 12 2HH2 ARG 12 10.245 4.752 -5.526 135 2HH1 ARG 12 1HH2 ARG 12 11.847 5.216 -5.978 136 1HH2 ARG 12 2HH1 ARG 12 12.994 2.082 -6.990 137 2HH2 ARG 12 1HH1 ARG 12 13.407 3.719 -6.636 138 QB ARG 12 QB ARG 12 8.549 3.085 -8.650 139 QG ARG 12 QG ARG 12 7.843 3.587 -6.471 140 QD ARG 12 QD ARG 12 8.959 1.908 -5.362 141 QH1 ARG 12 QH2 ARG 12 11.046 4.984 -5.752 142 QH2 ARG 12 QH1 ARG 12 13.201 2.901 -6.813 143 H GLY 13 H GLY 13 5.290 1.972 -10.278 144 1HA GLY 13 1HA GLY 13 5.903 2.260 -12.837 145 2HA GLY 13 2HA GLY 13 6.638 0.680 -12.569 146 QA GLY 13 QA GLY 13 6.270 1.470 -12.703 147 H ALA 14 H ALA 14 4.548 0.038 -10.454 148 HA ALA 14 HA ALA 14 2.311 -0.958 -11.932 149 1HB ALA 14 2HB ALA 14 3.028 -1.726 -9.663 150 2HB ALA 14 3HB ALA 14 2.621 -0.134 -8.998 151 3HB ALA 14 1HB ALA 14 1.352 -1.172 -9.667 152 QB ALA 14 QB ALA 14 2.334 -1.011 -9.443 153 H SER 15 H SER 15 0.396 0.106 -12.506 154 HA SER 15 HA SER 15 0.318 3.055 -12.047 155 1HB SER 15 1HB SER 15 -1.372 3.109 -13.733 156 2HB SER 15 2HB SER 15 -0.148 1.984 -14.336 157 HG SER 15 HG SER 15 -2.125 1.103 -14.640 158 QB SER 15 QB SER 15 -0.760 2.546 -14.034 159 H ASP 16 H ASP 16 -1.868 3.970 -11.572 160 HA ASP 16 HA ASP 16 -2.578 3.245 -9.026 161 1HB ASP 16 1HB ASP 16 -4.124 4.698 -11.192 162 2HB ASP 16 2HB ASP 16 -4.850 4.431 -9.604 163 QB ASP 16 QB ASP 16 -4.487 4.565 -10.398 164 H GLU 17 H GLU 17 -3.576 1.870 -12.068 165 HA GLU 17 HA GLU 17 -6.065 0.663 -11.099 166 1HB GLU 17 1HB GLU 17 -5.760 1.854 -13.258 167 2HB GLU 17 2HB GLU 17 -4.610 0.603 -13.777 168 1HG GLU 17 1HG GLU 17 -6.349 -1.055 -13.836 169 2HG GLU 17 2HG GLU 17 -7.479 0.012 -12.988 170 QB GLU 17 QB GLU 17 -5.185 1.228 -13.518 171 QG GLU 17 QG GLU 17 -6.914 -0.522 -13.412 172 H GLU 18 H GLU 18 -2.777 -0.098 -11.061 173 HA GLU 18 HA GLU 18 -3.153 -3.022 -10.889 174 1HB GLU 18 1HB GLU 18 -1.189 -1.678 -12.067 175 2HB GLU 18 2HB GLU 18 -0.607 -1.418 -10.440 176 1HG GLU 18 1HG GLU 18 -0.674 -3.850 -10.006 177 2HG GLU 18 2HG GLU 18 -1.234 -4.108 -11.677 178 QB GLU 18 QB GLU 18 -0.898 -1.548 -11.253 179 QG GLU 18 QG GLU 18 -0.954 -3.979 -10.842 180 H ILE 19 H ILE 19 -2.004 -0.147 -9.184 181 HA ILE 19 HA ILE 19 -1.479 -1.193 -6.651 182 HB ILE 19 HB ILE 19 -1.985 1.535 -7.839 183 1HG1 ILE 19 1HG1 ILE 19 0.379 0.080 -6.576 184 2HG1 ILE 19 2HG1 ILE 19 0.099 0.332 -8.291 185 1HG2 ILE 19 2HG2 ILE 19 -1.539 1.050 -4.900 186 2HG2 ILE 19 3HG2 ILE 19 -1.366 2.631 -5.709 187 3HG2 ILE 19 1HG2 ILE 19 -2.929 1.848 -5.646 188 1HD1 ILE 19 1HD1 ILE 19 0.352 2.809 -7.895 189 2HD1 ILE 19 2HD1 ILE 19 0.879 2.403 -6.240 190 3HD1 ILE 19 3HD1 ILE 19 1.796 1.812 -7.615 191 QG1 ILE 19 QG1 ILE 19 0.239 0.206 -7.434 192 QG2 ILE 19 QG2 ILE 19 -1.945 1.843 -5.418 193 QD1 ILE 19 QD1 ILE 19 1.009 2.341 -7.250 194 H LYS 20 H LYS 20 -4.433 0.620 -7.662 195 HA LYS 20 HA LYS 20 -5.826 0.093 -5.212 196 1HB LYS 20 1HB LYS 20 -6.855 0.807 -7.975 197 2HB LYS 20 2HB LYS 20 -7.861 0.763 -6.527 198 1HG LYS 20 1HG LYS 20 -6.718 2.586 -5.494 199 2HG LYS 20 2HG LYS 20 -5.365 2.511 -6.639 200 1HD LYS 20 1HD LYS 20 -6.848 3.114 -8.497 201 2HD LYS 20 2HD LYS 20 -8.227 3.217 -7.396 202 1HE LYS 20 1HE LYS 20 -5.721 4.877 -6.920 203 2HE LYS 20 2HE LYS 20 -6.900 5.364 -8.137 204 1HZ LYS 20 3HZ LYS 20 -8.604 5.374 -6.439 205 2HZ LYS 20 1HZ LYS 20 -7.516 5.043 -5.251 206 3HZ LYS 20 2HZ LYS 20 -7.420 6.437 -6.110 207 QB LYS 20 QB LYS 20 -7.358 0.785 -7.251 208 QG LYS 20 QG LYS 20 -6.041 2.549 -6.067 209 QD LYS 20 QD LYS 20 -7.537 3.165 -7.946 210 QE LYS 20 QE LYS 20 -6.310 5.120 -7.528 211 QZ LYS 20 QZ LYS 20 -7.847 5.618 -5.934 212 H ARG 21 H ARG 21 -5.442 -1.803 -8.167 213 HA ARG 21 HA ARG 21 -7.603 -3.633 -7.808 214 1HB ARG 21 1HB ARG 21 -5.511 -3.329 -9.645 215 2HB ARG 21 2HB ARG 21 -5.043 -4.779 -8.814 216 1HG ARG 21 1HG ARG 21 -6.233 -5.511 -10.645 217 2HG ARG 21 2HG ARG 21 -7.377 -5.711 -9.316 218 1HD ARG 21 1HD ARG 21 -8.746 -3.958 -10.072 219 2HD ARG 21 2HD ARG 21 -7.434 -3.117 -10.887 220 HE ARG 21 HE ARG 21 -9.059 -5.322 -11.926 221 1HH1 ARG 21 2HH2 ARG 21 -6.186 -3.219 -12.478 222 2HH1 ARG 21 1HH2 ARG 21 -5.945 -3.815 -14.084 223 1HH2 ARG 21 2HH1 ARG 21 -8.587 -6.150 -14.042 224 2HH2 ARG 21 1HH1 ARG 21 -7.305 -5.487 -14.969 225 QB ARG 21 QB ARG 21 -5.277 -4.054 -9.230 226 QG ARG 21 QG ARG 21 -6.805 -5.611 -9.980 227 QD ARG 21 QD ARG 21 -8.090 -3.538 -10.480 228 QH1 ARG 21 QH2 ARG 21 -6.065 -3.517 -13.281 229 QH2 ARG 21 QH1 ARG 21 -7.946 -5.818 -14.506 230 H ALA 22 H ALA 22 -4.151 -3.791 -6.838 231 HA ALA 22 HA ALA 22 -4.378 -6.068 -5.141 232 1HB ALA 22 2HB ALA 22 -2.256 -5.239 -6.077 233 2HB ALA 22 3HB ALA 22 -2.399 -3.774 -5.086 234 3HB ALA 22 1HB ALA 22 -2.203 -5.362 -4.307 235 QB ALA 22 QB ALA 22 -2.286 -4.792 -5.157 236 H TYR 23 H TYR 23 -4.645 -2.458 -4.270 237 HA TYR 23 HA TYR 23 -4.567 -2.910 -1.552 238 1HB TYR 23 1HB TYR 23 -4.105 -0.815 -1.957 239 2HB TYR 23 2HB TYR 23 -4.805 -0.815 -3.530 240 HD1 TYR 23 1HD TYR 23 -7.504 -0.724 -3.595 241 HD2 TYR 23 2HD TYR 23 -4.837 0.926 -0.618 242 HE1 TYR 23 1HE TYR 23 -9.112 1.066 -3.189 243 HE2 TYR 23 2HE TYR 23 -6.467 2.731 -0.207 244 HH TYR 23 HH TYR 23 -9.592 2.982 -1.886 245 QB TYR 23 QB TYR 23 -4.455 -0.815 -2.743 246 QG TYR 23 QD TYR 23 -6.170 0.101 -2.106 247 QZ TYR 23 QE TYR 23 -7.790 1.899 -1.698 248 QR TYR 23 QR TYR 23 -6.980 1.000 -1.902 249 H ARG 24 H ARG 24 -7.408 -2.825 -3.747 250 HA ARG 24 HA ARG 24 -9.303 -2.986 -1.632 251 1HB ARG 24 1HB ARG 24 -9.681 -2.347 -4.051 252 2HB ARG 24 2HB ARG 24 -9.569 -4.059 -4.476 253 1HG ARG 24 1HG ARG 24 -11.536 -4.536 -3.023 254 2HG ARG 24 2HG ARG 24 -11.585 -2.824 -2.547 255 1HD ARG 24 1HD ARG 24 -11.906 -2.203 -4.962 256 2HD ARG 24 2HD ARG 24 -11.984 -3.926 -5.368 257 HE ARG 24 HE ARG 24 -13.871 -2.363 -3.668 258 1HH1 ARG 24 2HH2 ARG 24 -13.435 -5.190 -5.860 259 2HH1 ARG 24 1HH2 ARG 24 -15.014 -5.801 -5.468 260 1HH2 ARG 24 2HH1 ARG 24 -15.856 -3.321 -3.151 261 2HH2 ARG 24 1HH1 ARG 24 -16.394 -4.750 -4.047 262 QB ARG 24 QB ARG 24 -9.625 -3.203 -4.264 263 QG ARG 24 QG ARG 24 -11.560 -3.680 -2.785 264 QD ARG 24 QD ARG 24 -11.945 -3.065 -5.165 265 QH1 ARG 24 QH2 ARG 24 -14.224 -5.496 -5.664 266 QH2 ARG 24 QH1 ARG 24 -16.125 -4.036 -3.599 267 H ARG 25 H ARG 25 -7.636 -5.559 -3.462 268 HA ARG 25 HA ARG 25 -8.986 -7.787 -2.219 269 1HB ARG 25 1HB ARG 25 -6.183 -7.582 -3.419 270 2HB ARG 25 2HB ARG 25 -6.972 -9.082 -2.993 271 1HG ARG 25 1HG ARG 25 -8.135 -7.145 -5.043 272 2HG ARG 25 2HG ARG 25 -6.926 -8.340 -5.459 273 1HD ARG 25 1HD ARG 25 -9.685 -8.923 -4.309 274 2HD ARG 25 2HD ARG 25 -9.211 -9.108 -5.997 275 HE ARG 25 HE ARG 25 -8.803 -10.955 -3.847 276 1HH1 ARG 25 2HH2 ARG 25 -7.354 -9.938 -6.926 277 2HH1 ARG 25 1HH2 ARG 25 -6.490 -11.419 -7.150 278 1HH2 ARG 25 2HH1 ARG 25 -7.569 -12.888 -4.109 279 2HH2 ARG 25 1HH1 ARG 25 -6.438 -13.014 -5.406 280 QB ARG 25 QB ARG 25 -6.577 -8.332 -3.206 281 QG ARG 25 QG ARG 25 -7.531 -7.742 -5.251 282 QD ARG 25 QD ARG 25 -9.448 -9.015 -5.153 283 QH1 ARG 25 QH2 ARG 25 -6.922 -10.679 -7.038 284 QH2 ARG 25 QH1 ARG 25 -7.004 -12.951 -4.758 285 H GLN 26 H GLN 26 -5.930 -6.066 -1.540 286 HA GLN 26 HA GLN 26 -4.992 -7.743 0.515 287 1HB GLN 26 1HB GLN 26 -4.398 -4.950 -0.499 288 2HB GLN 26 2HB GLN 26 -3.543 -5.567 0.904 289 1HG GLN 26 1HG GLN 26 -3.672 -7.234 -1.637 290 2HG GLN 26 2HG GLN 26 -2.555 -5.884 -1.523 291 1HE2 GLN 26 2HE2 GLN 26 -0.195 -8.068 -0.079 292 2HE2 GLN 26 1HE2 GLN 26 -0.582 -7.019 -1.440 293 QB GLN 26 QB GLN 26 -3.970 -5.258 0.202 294 QG GLN 26 QG GLN 26 -3.114 -6.559 -1.580 295 QE2 GLN 26 QE2 GLN 26 -0.388 -7.543 -0.759 296 H ALA 27 H ALA 27 -6.972 -4.719 0.708 297 HA ALA 27 HA ALA 27 -7.067 -4.612 3.556 298 1HB ALA 27 1HB ALA 27 -9.093 -3.808 1.412 299 2HB ALA 27 2HB ALA 27 -9.333 -3.512 3.151 300 3HB ALA 27 3HB ALA 27 -7.971 -2.781 2.335 301 QB ALA 27 QB ALA 27 -8.799 -3.367 2.299 302 H LEU 28 H LEU 28 -9.240 -6.346 1.187 303 HA LEU 28 HA LEU 28 -10.900 -7.426 3.210 304 1HB LEU 28 1HB LEU 28 -10.637 -7.447 0.285 305 2HB LEU 28 2HB LEU 28 -10.874 -9.058 0.867 306 HG LEU 28 HG LEU 28 -12.840 -8.054 2.308 307 1HD1 LEU 28 1HD1 LEU 28 -12.362 -5.846 0.243 308 2HD1 LEU 28 2HD1 LEU 28 -13.825 -6.004 1.216 309 3HD1 LEU 28 3HD1 LEU 28 -12.265 -5.679 2.005 310 1HD2 LEU 28 1HD2 LEU 28 -13.195 -9.528 0.355 311 2HD2 LEU 28 2HD2 LEU 28 -14.428 -8.266 0.478 312 3HD2 LEU 28 3HD2 LEU 28 -13.126 -8.105 -0.711 313 QB LEU 28 QB LEU 28 -10.756 -8.253 0.576 314 QD1 LEU 28 QD1 LEU 28 -12.817 -5.843 1.155 315 QD2 LEU 28 QD2 LEU 28 -13.583 -8.633 0.041 316 QQD LEU 28 QQD LEU 28 -13.200 -7.238 0.598 317 H ARG 29 H ARG 29 -7.660 -8.348 2.316 318 HA ARG 29 HA ARG 29 -7.854 -11.124 2.890 319 1HB ARG 29 1HB ARG 29 -6.133 -9.635 1.530 320 2HB ARG 29 2HB ARG 29 -5.407 -9.345 3.095 321 1HG ARG 29 1HG ARG 29 -4.213 -11.218 2.687 322 2HG ARG 29 2HG ARG 29 -5.687 -12.058 3.149 323 1HD ARG 29 1HD ARG 29 -4.923 -13.008 1.090 324 2HD ARG 29 2HD ARG 29 -6.380 -12.082 0.736 325 HE ARG 29 HE ARG 29 -5.173 -10.800 -0.710 326 1HH1 ARG 29 2HH2 ARG 29 -2.761 -12.240 1.521 327 2HH1 ARG 29 1HH2 ARG 29 -1.436 -11.534 0.629 328 1HH2 ARG 29 2HH1 ARG 29 -3.316 -10.141 -1.948 329 2HH2 ARG 29 1HH1 ARG 29 -1.736 -10.417 -1.246 330 QB ARG 29 QB ARG 29 -5.770 -9.490 2.313 331 QG ARG 29 QG ARG 29 -4.950 -11.638 2.918 332 QD ARG 29 QD ARG 29 -5.652 -12.545 0.913 333 QH1 ARG 29 QH2 ARG 29 -2.098 -11.887 1.075 334 QH2 ARG 29 QH1 ARG 29 -2.526 -10.279 -1.597 335 H TYR 30 H TYR 30 -7.669 -8.250 4.933 336 HA TYR 30 HA TYR 30 -7.264 -9.944 7.338 337 1HB TYR 30 1HB TYR 30 -5.589 -7.488 6.529 338 2HB TYR 30 2HB TYR 30 -5.414 -8.377 8.028 339 HD1 TYR 30 2HD TYR 30 -4.924 -10.957 7.806 340 HD2 TYR 30 1HD TYR 30 -4.152 -8.054 4.733 341 HE1 TYR 30 2HE TYR 30 -3.359 -12.491 6.767 342 HE2 TYR 30 1HE TYR 30 -2.474 -9.563 3.707 343 HH TYR 30 HH TYR 30 -1.973 -12.877 5.077 344 QB TYR 30 QB TYR 30 -5.502 -7.933 7.278 345 QG TYR 30 QD TYR 30 -4.538 -9.506 6.270 346 QZ TYR 30 QE TYR 30 -2.916 -11.027 5.237 347 QR TYR 30 QR TYR 30 -3.727 -10.266 5.753 348 H HIS 31 H HIS 31 -9.220 -7.708 6.062 349 HA HIS 31 HA HIS 31 -9.231 -5.406 7.563 350 1HB HIS 31 1HB HIS 31 -10.846 -6.643 5.611 351 2HB HIS 31 2HB HIS 31 -11.930 -6.469 6.963 352 HD1 HIS 31 1HD HIS 31 -11.644 -3.512 7.979 353 HD2 HIS 31 2HD HIS 31 -11.221 -4.823 3.972 354 HE1 HIS 31 1HE HIS 31 -12.092 -1.534 6.509 355 QB HIS 31 QB HIS 31 -11.388 -6.556 6.287 356 HA PRO 32 HA PRO 32 -10.699 -7.114 11.575 357 1HB PRO 32 1HB PRO 32 -10.777 -4.817 13.040 358 2HB PRO 32 2HB PRO 32 -9.241 -5.602 12.570 359 1HG PRO 32 1HG PRO 32 -10.628 -3.288 11.220 360 2HG PRO 32 2HG PRO 32 -8.902 -3.431 11.672 361 1HD PRO 32 1HD PRO 32 -9.856 -3.973 9.150 362 2HD PRO 32 2HD PRO 32 -8.449 -4.841 9.854 363 QB PRO 32 QB PRO 32 -10.009 -5.209 12.805 364 QG PRO 32 QG PRO 32 -9.765 -3.360 11.446 365 QD PRO 32 QD PRO 32 -9.152 -4.407 9.502 366 H ASP 33 H ASP 33 -12.359 -6.161 9.197 367 HA ASP 33 HA ASP 33 -14.923 -5.966 10.600 368 1HB ASP 33 1HB ASP 33 -14.185 -3.730 9.654 369 2HB ASP 33 2HB ASP 33 -14.314 -4.448 8.043 370 QB ASP 33 QB ASP 33 -14.249 -4.089 8.849 371 H LYS 34 H LYS 34 -13.005 -7.937 8.884 372 HA LYS 34 HA LYS 34 -15.290 -9.291 7.547 373 1HB LYS 34 1HB LYS 34 -14.264 -8.004 5.745 374 2HB LYS 34 2HB LYS 34 -12.656 -8.449 6.289 375 1HG LYS 34 1HG LYS 34 -13.007 -9.730 4.353 376 2HG LYS 34 2HG LYS 34 -13.097 -10.841 5.712 377 1HD LYS 34 1HD LYS 34 -14.907 -11.437 4.278 378 2HD LYS 34 2HD LYS 34 -15.651 -10.564 5.621 379 1HE LYS 34 1HE LYS 34 -15.072 -8.496 3.868 380 2HE LYS 34 2HE LYS 34 -15.345 -9.822 2.733 381 1HZ LYS 34 2HZ LYS 34 -17.516 -10.144 3.882 382 2HZ LYS 34 3HZ LYS 34 -17.217 -8.773 4.763 383 3HZ LYS 34 1HZ LYS 34 -17.334 -8.663 3.131 384 QB LYS 34 QB LYS 34 -13.460 -8.227 6.017 385 QG LYS 34 QG LYS 34 -13.052 -10.285 5.032 386 QD LYS 34 QD LYS 34 -15.279 -11.001 4.949 387 QE LYS 34 QE LYS 34 -15.208 -9.159 3.301 388 QZ LYS 34 QZ LYS 34 -17.356 -9.193 3.925 389 H ASN 35 H ASN 35 -11.726 -9.487 8.333 390 HA ASN 35 HA ASN 35 -12.024 -12.252 9.226 391 1HB ASN 35 1HB ASN 35 -9.319 -11.706 8.499 392 2HB ASN 35 2HB ASN 35 -10.438 -12.789 7.781 393 1HD2 ASN 35 2HD2 ASN 35 -9.664 -11.088 4.834 394 2HD2 ASN 35 1HD2 ASN 35 -9.593 -12.666 5.599 395 QB ASN 35 QB ASN 35 -9.878 -12.248 8.140 396 QD2 ASN 35 QD2 ASN 35 -9.629 -11.877 5.216 397 H LYS 36 H LYS 36 -12.449 -11.518 11.375 398 HA LYS 36 HA LYS 36 -10.494 -9.650 12.530 399 1HB LYS 36 1HB LYS 36 -12.876 -10.930 13.799 400 2HB LYS 36 2HB LYS 36 -11.785 -9.789 14.587 401 1HG LYS 36 1HG LYS 36 -12.322 -8.106 12.836 402 2HG LYS 36 2HG LYS 36 -13.564 -9.181 12.182 403 1HD LYS 36 1HD LYS 36 -13.490 -8.075 15.026 404 2HD LYS 36 2HD LYS 36 -14.447 -7.404 13.699 405 1HE LYS 36 1HE LYS 36 -15.691 -9.540 13.497 406 2HE LYS 36 2HE LYS 36 -14.722 -10.230 14.812 407 1HZ LYS 36 2HZ LYS 36 -15.606 -8.542 16.277 408 2HZ LYS 36 3HZ LYS 36 -16.527 -7.905 15.068 409 3HZ LYS 36 1HZ LYS 36 -16.824 -9.423 15.634 410 QB LYS 36 QB LYS 36 -12.331 -10.359 14.193 411 QG LYS 36 QG LYS 36 -12.943 -8.643 12.509 412 QD LYS 36 QD LYS 36 -13.969 -7.739 14.362 413 QE LYS 36 QE LYS 36 -15.207 -9.885 14.155 414 QZ LYS 36 QZ LYS 36 -16.319 -8.623 15.659 415 H GLU 37 H GLU 37 -9.429 -11.951 11.438 416 HA GLU 37 HA GLU 37 -9.216 -14.254 13.040 417 1HB GLU 37 1HB GLU 37 -8.945 -14.293 10.673 418 2HB GLU 37 2HB GLU 37 -7.782 -12.981 10.692 419 1HG GLU 37 1HG GLU 37 -6.102 -14.457 11.762 420 2HG GLU 37 2HG GLU 37 -7.298 -15.759 11.760 421 QB GLU 37 QB GLU 37 -8.364 -13.637 10.683 422 QG GLU 37 QG GLU 37 -6.700 -15.108 11.761 423 HA PRO 38 HA PRO 38 -6.340 -12.597 16.024 424 1HB PRO 38 1HB PRO 38 -5.001 -14.862 16.822 425 2HB PRO 38 2HB PRO 38 -6.623 -14.342 17.349 426 1HG PRO 38 1HG PRO 38 -5.912 -16.343 15.176 427 2HG PRO 38 2HG PRO 38 -7.139 -16.501 16.468 428 1HD PRO 38 1HD PRO 38 -7.792 -15.762 13.943 429 2HD PRO 38 2HD PRO 38 -8.621 -15.039 15.351 430 QB PRO 38 QB PRO 38 -5.812 -14.602 17.085 431 QG PRO 38 QG PRO 38 -6.525 -16.422 15.822 432 QD PRO 38 QD PRO 38 -8.206 -15.400 14.647 433 H GLY 39 H GLY 39 -4.898 -11.335 15.203 434 1HA GLY 39 1HA GLY 39 -2.679 -10.742 14.613 435 2HA GLY 39 2HA GLY 39 -2.388 -12.360 13.989 436 QA GLY 39 QA GLY 39 -2.533 -11.551 14.301 437 H ALA 40 H ALA 40 -5.342 -11.474 12.591 438 HA ALA 40 HA ALA 40 -4.096 -10.596 10.086 439 1HB ALA 40 3HB ALA 40 -7.028 -10.697 10.966 440 2HB ALA 40 1HB ALA 40 -6.486 -10.091 9.410 441 3HB ALA 40 2HB ALA 40 -6.171 -11.774 9.815 442 QB ALA 40 QB ALA 40 -6.562 -10.854 10.064 443 H GLU 41 H GLU 41 -5.632 -9.013 12.908 444 HA GLU 41 HA GLU 41 -6.005 -6.495 11.736 445 1HB GLU 41 1HB GLU 41 -7.063 -7.042 13.728 446 2HB GLU 41 2HB GLU 41 -5.578 -7.406 14.594 447 1HG GLU 41 1HG GLU 41 -6.192 -4.599 13.575 448 2HG GLU 41 2HG GLU 41 -6.905 -5.207 15.062 449 QB GLU 41 QB GLU 41 -6.321 -7.224 14.161 450 QG GLU 41 QG GLU 41 -6.548 -4.903 14.318 451 H GLU 42 H GLU 42 -3.085 -7.700 13.395 452 HA GLU 42 HA GLU 42 -1.749 -5.161 13.186 453 1HB GLU 42 1HB GLU 42 -1.271 -7.088 14.765 454 2HB GLU 42 2HB GLU 42 -0.423 -7.885 13.446 455 1HG GLU 42 1HG GLU 42 0.208 -5.066 14.485 456 2HG GLU 42 2HG GLU 42 0.922 -6.527 15.161 457 QB GLU 42 QB GLU 42 -0.847 -7.487 14.105 458 QG GLU 42 QG GLU 42 0.565 -5.796 14.823 459 H LYS 43 H LYS 43 -1.991 -7.987 11.070 460 HA LYS 43 HA LYS 43 -0.137 -7.267 9.117 461 1HB LYS 43 1HB LYS 43 -1.910 -9.375 9.620 462 2HB LYS 43 2HB LYS 43 -2.574 -8.678 8.166 463 1HG LYS 43 1HG LYS 43 -0.756 -9.243 6.868 464 2HG LYS 43 2HG LYS 43 0.393 -9.195 8.202 465 1HD LYS 43 1HD LYS 43 -1.730 -11.327 8.270 466 2HD LYS 43 2HD LYS 43 -0.393 -11.495 7.136 467 1HE LYS 43 1HE LYS 43 -0.012 -12.687 9.269 468 2HE LYS 43 2HE LYS 43 1.241 -11.500 8.892 469 1HZ LYS 43 1HZ LYS 43 -0.975 -10.944 10.795 470 2HZ LYS 43 2HZ LYS 43 0.496 -11.453 11.244 471 3HZ LYS 43 3HZ LYS 43 0.362 -10.023 10.495 472 QB LYS 43 QB LYS 43 -2.242 -9.027 8.893 473 QG LYS 43 QG LYS 43 -0.182 -9.219 7.535 474 QD LYS 43 QD LYS 43 -1.062 -11.411 7.703 475 QE LYS 43 QE LYS 43 0.615 -12.094 9.080 476 QZ LYS 43 QZ LYS 43 -0.039 -10.807 10.845 477 H PHE 44 H PHE 44 -3.634 -6.644 9.425 478 HA PHE 44 HA PHE 44 -4.001 -5.009 7.149 479 1HB PHE 44 1HB PHE 44 -5.791 -6.024 8.541 480 2HB PHE 44 2HB PHE 44 -5.428 -4.910 9.835 481 HD1 PHE 44 1HD PHE 44 -6.625 -5.093 6.292 482 HD2 PHE 44 2HD PHE 44 -6.410 -2.740 9.906 483 HE1 PHE 44 1HE PHE 44 -8.285 -3.495 5.364 484 HE2 PHE 44 2HE PHE 44 -8.076 -1.155 8.962 485 1HZ PHE 44 HZ PHE 44 -9.001 -1.529 6.684 486 QB PHE 44 QB PHE 44 -5.610 -5.467 9.188 487 QG PHE 44 QD PHE 44 -6.517 -3.916 8.099 488 QZ PHE 44 QE PHE 44 -8.180 -2.325 7.163 489 QZ PHE 44 QR PHE 44 -7.679 -2.802 7.441 490 H LYS 45 H LYS 45 -3.017 -4.181 10.493 491 HA LYS 45 HA LYS 45 -2.941 -1.358 10.156 492 1HB LYS 45 1HB LYS 45 -2.963 -2.646 12.305 493 2HB LYS 45 2HB LYS 45 -1.283 -3.110 12.016 494 1HG LYS 45 1HG LYS 45 -0.630 -0.694 12.070 495 2HG LYS 45 2HG LYS 45 -2.329 -0.276 12.401 496 1HD LYS 45 1HD LYS 45 -2.234 -1.803 14.402 497 2HD LYS 45 2HD LYS 45 -0.500 -2.031 14.114 498 1HE LYS 45 1HE LYS 45 -0.079 0.355 14.467 499 2HE LYS 45 2HE LYS 45 -1.815 0.681 14.562 500 1HZ LYS 45 1HZ LYS 45 -1.917 -0.723 16.522 501 2HZ LYS 45 2HZ LYS 45 -0.288 -0.944 16.509 502 3HZ LYS 45 3HZ LYS 45 -0.938 0.564 16.748 503 QB LYS 45 QB LYS 45 -2.123 -2.878 12.160 504 QG LYS 45 QG LYS 45 -1.479 -0.485 12.236 505 QD LYS 45 QD LYS 45 -1.367 -1.917 14.258 506 QE LYS 45 QE LYS 45 -0.947 0.518 14.514 507 QZ LYS 45 QZ LYS 45 -1.047 -0.368 16.593 508 H GLU 46 H GLU 46 -0.296 -3.856 9.661 509 HA GLU 46 HA GLU 46 1.614 -1.941 8.968 510 1HB GLU 46 1HB GLU 46 1.436 -4.690 9.405 511 2HB GLU 46 2HB GLU 46 1.973 -4.573 7.730 512 1HG GLU 46 1HG GLU 46 3.492 -2.699 9.134 513 2HG GLU 46 2HG GLU 46 3.335 -3.981 10.306 514 QB GLU 46 QB GLU 46 1.705 -4.632 8.568 515 QG GLU 46 QG GLU 46 3.413 -3.340 9.720 516 H ILE 47 H ILE 47 -0.675 -3.938 7.059 517 HA ILE 47 HA ILE 47 0.033 -2.984 4.484 518 HB ILE 47 HB ILE 47 -2.510 -4.095 5.682 519 1HG1 ILE 47 1HG1 ILE 47 -0.581 -4.957 3.465 520 2HG1 ILE 47 2HG1 ILE 47 -0.651 -5.599 5.108 521 1HG2 ILE 47 3HG2 ILE 47 -3.352 -2.390 4.103 522 2HG2 ILE 47 1HG2 ILE 47 -2.322 -3.076 2.823 523 3HG2 ILE 47 2HG2 ILE 47 -3.672 -4.001 3.517 524 1HD1 ILE 47 3HD1 ILE 47 -3.082 -6.234 4.594 525 2HD1 ILE 47 1HD1 ILE 47 -2.685 -5.934 2.890 526 3HD1 ILE 47 2HD1 ILE 47 -1.802 -7.183 3.775 527 QG1 ILE 47 QG1 ILE 47 -0.616 -5.278 4.287 528 QG2 ILE 47 QG2 ILE 47 -3.115 -3.156 3.481 529 QD1 ILE 47 QD1 ILE 47 -2.523 -6.450 3.753 530 H ALA 48 H ALA 48 -2.044 -1.459 7.025 531 HA ALA 48 HA ALA 48 -3.165 0.487 5.352 532 1HB ALA 48 3HB ALA 48 -3.955 -0.106 7.593 533 2HB ALA 48 1HB ALA 48 -2.578 0.764 8.313 534 3HB ALA 48 2HB ALA 48 -3.793 1.646 7.360 535 QB ALA 48 QB ALA 48 -3.442 0.768 7.755 536 H GLU 49 H GLU 49 -0.019 0.420 6.918 537 HA GLU 49 HA GLU 49 0.659 3.211 6.447 538 1HB GLU 49 1HB GLU 49 1.907 2.099 8.110 539 2HB GLU 49 2HB GLU 49 2.276 0.710 7.078 540 1HG GLU 49 1HG GLU 49 3.852 1.885 5.789 541 2HG GLU 49 2HG GLU 49 3.181 3.457 6.261 542 QB GLU 49 QB GLU 49 2.092 1.405 7.594 543 QG GLU 49 QG GLU 49 3.516 2.671 6.025 544 H ALA 50 H ALA 50 1.045 0.167 4.629 545 HA ALA 50 HA ALA 50 2.393 1.444 2.397 546 1HB ALA 50 1HB ALA 50 2.649 -0.968 2.985 547 2HB ALA 50 2HB ALA 50 0.951 -1.239 2.536 548 3HB ALA 50 3HB ALA 50 2.115 -0.712 1.320 549 QB ALA 50 QB ALA 50 1.905 -0.973 2.281 550 H TYR 51 H TYR 51 -0.905 0.676 3.273 551 HA TYR 51 HA TYR 51 -2.296 0.864 0.866 552 1HB TYR 51 1HB TYR 51 -2.902 0.115 3.292 553 2HB TYR 51 2HB TYR 51 -3.374 1.787 3.548 554 HD1 TYR 51 1HD TYR 51 -3.981 -1.390 1.793 555 HD2 TYR 51 2HD TYR 51 -5.511 2.542 2.678 556 HE1 TYR 51 1HE TYR 51 -6.231 -2.123 1.112 557 HE2 TYR 51 2HE TYR 51 -7.797 1.784 2.055 558 HH TYR 51 HH TYR 51 -9.040 0.124 1.124 559 QB TYR 51 QB TYR 51 -3.138 0.951 3.420 560 QG TYR 51 QD TYR 51 -4.746 0.576 2.235 561 QZ TYR 51 QE TYR 51 -7.014 -0.169 1.584 562 QR TYR 51 QR TYR 51 -5.880 0.203 1.909 563 H ASP 52 H ASP 52 -1.362 3.398 3.169 564 HA ASP 52 HA ASP 52 -2.807 5.601 2.090 565 1HB ASP 52 1HB ASP 52 -1.619 5.507 4.284 566 2HB ASP 52 2HB ASP 52 -0.081 5.517 3.443 567 QB ASP 52 QB ASP 52 -0.850 5.512 3.864 568 H VAL 53 H VAL 53 0.487 4.377 1.428 569 HA VAL 53 HA VAL 53 1.114 6.257 -0.685 570 HB VAL 53 HB VAL 53 2.219 3.562 0.220 571 1HG1 VAL 53 2HG1 VAL 53 3.315 5.194 -2.083 572 2HG1 VAL 53 3HG1 VAL 53 4.064 3.756 -1.336 573 3HG1 VAL 53 1HG1 VAL 53 2.551 3.600 -2.207 574 1HG2 VAL 53 1HG2 VAL 53 2.692 5.536 1.618 575 2HG2 VAL 53 2HG2 VAL 53 4.151 4.871 0.864 576 3HG2 VAL 53 3HG2 VAL 53 3.418 6.345 0.206 577 QG1 VAL 53 QG1 VAL 53 3.310 4.183 -1.876 578 QG2 VAL 53 QG2 VAL 53 3.420 5.584 0.896 579 QQG VAL 53 QQG VAL 53 3.365 4.883 -0.490 580 H LEU 54 H LEU 54 0.118 2.819 -0.687 581 HA LEU 54 HA LEU 54 -0.412 2.649 -3.480 582 1HB LEU 54 1HB LEU 54 -1.001 0.897 -1.114 583 2HB LEU 54 2HB LEU 54 -1.483 0.531 -2.735 584 HG LEU 54 HG LEU 54 0.293 -0.611 -2.884 585 1HD1 LEU 54 1HD1 LEU 54 0.817 1.044 -4.535 586 2HD1 LEU 54 2HD1 LEU 54 1.813 1.940 -3.372 587 3HD1 LEU 54 3HD1 LEU 54 2.271 0.312 -3.881 588 1HD2 LEU 54 2HD2 LEU 54 0.885 -0.249 -0.486 589 2HD2 LEU 54 3HD2 LEU 54 2.234 -0.621 -1.540 590 3HD2 LEU 54 1HD2 LEU 54 1.976 1.057 -1.011 591 QB LEU 54 QB LEU 54 -1.242 0.714 -1.924 592 QD1 LEU 54 QD1 LEU 54 1.634 1.099 -3.929 593 QD2 LEU 54 QD2 LEU 54 1.698 0.062 -1.012 594 QQD LEU 54 QQD LEU 54 1.666 0.581 -2.471 595 H SER 55 H SER 55 -1.934 4.868 -2.011 596 HA SER 55 HA SER 55 -4.121 4.436 -3.822 597 1HB SER 55 1HB SER 55 -5.840 5.261 -2.256 598 2HB SER 55 2HB SER 55 -5.247 3.628 -1.968 599 HG SER 55 HG SER 55 -3.999 4.379 -0.260 600 QB SER 55 QB SER 55 -5.543 4.445 -2.112 601 H ASP 56 H ASP 56 -2.437 6.788 -1.557 602 HA ASP 56 HA ASP 56 -3.664 8.998 -2.975 603 1HB ASP 56 1HB ASP 56 -3.237 9.295 -0.650 604 2HB ASP 56 2HB ASP 56 -1.540 8.857 -0.830 605 QB ASP 56 QB ASP 56 -2.388 9.076 -0.740 606 HA PRO 57 HA PRO 57 -0.421 8.770 -6.132 607 1HB PRO 57 1HB PRO 57 -1.207 10.822 -7.747 608 2HB PRO 57 2HB PRO 57 -2.014 9.223 -7.722 609 1HG PRO 57 1HG PRO 57 -2.839 11.743 -6.242 610 2HG PRO 57 2HG PRO 57 -3.854 10.664 -7.251 611 1HD PRO 57 1HD PRO 57 -3.788 10.434 -4.554 612 2HD PRO 57 2HD PRO 57 -3.886 8.984 -5.594 613 QB PRO 57 QB PRO 57 -1.611 10.022 -7.735 614 QG PRO 57 QG PRO 57 -3.347 11.204 -6.747 615 QD PRO 57 QD PRO 57 -3.837 9.709 -5.074 616 H ARG 58 H ARG 58 -1.251 11.642 -4.124 617 HA ARG 58 HA ARG 58 1.236 13.038 -4.900 618 1HB ARG 58 1HB ARG 58 -0.678 13.539 -2.563 619 2HB ARG 58 2HB ARG 58 0.631 14.588 -3.095 620 1HG ARG 58 1HG ARG 58 -1.960 14.008 -4.571 621 2HG ARG 58 2HG ARG 58 -1.384 15.526 -3.872 622 1HD ARG 58 1HD ARG 58 0.649 15.168 -5.538 623 2HD ARG 58 2HD ARG 58 -0.492 14.129 -6.395 624 HE ARG 58 HE ARG 58 -1.886 16.472 -5.909 625 1HH1 ARG 58 2HH2 ARG 58 1.363 15.874 -7.393 626 2HH1 ARG 58 1HH2 ARG 58 1.245 17.275 -8.378 627 1HH2 ARG 58 2HH1 ARG 58 -2.026 18.207 -7.413 628 2HH2 ARG 58 1HH1 ARG 58 -0.601 18.651 -8.321 629 QB ARG 58 QB ARG 58 -0.023 14.064 -2.829 630 QG ARG 58 QG ARG 58 -1.672 14.767 -4.222 631 QD ARG 58 QD ARG 58 0.079 14.648 -5.967 632 QH1 ARG 58 QH2 ARG 58 1.304 16.575 -7.886 633 QH2 ARG 58 QH1 ARG 58 -1.313 18.429 -7.867 634 H LYS 59 H LYS 59 0.235 10.671 -2.500 635 HA LYS 59 HA LYS 59 2.670 10.948 -0.900 636 1HB LYS 59 1HB LYS 59 0.386 9.926 -0.180 637 2HB LYS 59 2HB LYS 59 0.837 8.520 -1.126 638 1HG LYS 59 1HG LYS 59 1.604 7.805 0.852 639 2HG LYS 59 2HG LYS 59 3.041 8.739 0.446 640 1HD LYS 59 1HD LYS 59 0.667 9.654 2.152 641 2HD LYS 59 2HD LYS 59 2.191 9.020 2.769 642 1HE LYS 59 1HE LYS 59 3.355 10.978 1.613 643 2HE LYS 59 2HE LYS 59 1.737 11.657 1.316 644 1HZ LYS 59 2HZ LYS 59 2.845 10.964 3.963 645 2HZ LYS 59 3HZ LYS 59 2.792 12.489 3.372 646 3HZ LYS 59 1HZ LYS 59 1.397 11.670 3.732 647 QB LYS 59 QB LYS 59 0.611 9.223 -0.653 648 QG LYS 59 QG LYS 59 2.323 8.272 0.649 649 QD LYS 59 QD LYS 59 1.429 9.337 2.460 650 QE LYS 59 QE LYS 59 2.546 11.317 1.464 651 QZ LYS 59 QZ LYS 59 2.345 11.708 3.689 652 H ARG 60 H ARG 60 1.430 8.745 -3.483 653 HA ARG 60 HA ARG 60 3.892 7.351 -3.840 654 1HB ARG 60 1HB ARG 60 1.458 7.769 -5.584 655 2HB ARG 60 2HB ARG 60 2.903 6.984 -6.256 656 1HG ARG 60 1HG ARG 60 2.945 5.321 -4.536 657 2HG ARG 60 2HG ARG 60 1.703 6.142 -3.626 658 1HD ARG 60 1HD ARG 60 1.371 4.826 -6.347 659 2HD ARG 60 2HD ARG 60 0.900 4.124 -4.795 660 HE ARG 60 HE ARG 60 -0.664 5.934 -4.457 661 1HH1 ARG 60 2HH2 ARG 60 0.459 5.582 -7.852 662 2HH1 ARG 60 1HH2 ARG 60 -1.055 6.022 -8.538 663 1HH2 ARG 60 2HH1 ARG 60 -2.761 6.645 -5.529 664 2HH2 ARG 60 1HH1 ARG 60 -2.823 6.618 -7.259 665 QB ARG 60 QB ARG 60 2.180 7.376 -5.920 666 QG ARG 60 QG ARG 60 2.324 5.731 -4.081 667 QD ARG 60 QD ARG 60 1.136 4.475 -5.571 668 QH1 ARG 60 QH2 ARG 60 -0.298 5.802 -8.195 669 QH2 ARG 60 QH1 ARG 60 -2.792 6.631 -6.394 670 H GLU 61 H GLU 61 2.887 10.495 -5.264 671 HA GLU 61 HA GLU 61 4.818 10.675 -7.191 672 1HB GLU 61 1HB GLU 61 3.000 12.365 -6.472 673 2HB GLU 61 2HB GLU 61 4.124 12.919 -5.226 674 1HG GLU 61 1HG GLU 61 5.768 13.355 -7.143 675 2HG GLU 61 2HG GLU 61 4.415 13.080 -8.252 676 QB GLU 61 QB GLU 61 3.562 12.642 -5.849 677 QG GLU 61 QG GLU 61 5.092 13.217 -7.698 678 H ILE 62 H ILE 62 5.269 11.179 -3.679 679 HA ILE 62 HA ILE 62 8.065 11.850 -3.927 680 HB ILE 62 HB ILE 62 6.334 11.106 -1.529 681 1HG1 ILE 62 1HG1 ILE 62 7.214 13.755 -2.761 682 2HG1 ILE 62 2HG1 ILE 62 5.574 13.138 -2.626 683 1HG2 ILE 62 3HG2 ILE 62 8.706 10.654 -1.009 684 2HG2 ILE 62 1HG2 ILE 62 9.143 12.293 -1.531 685 3HG2 ILE 62 2HG2 ILE 62 8.115 12.026 -0.107 686 1HD1 ILE 62 3HD1 ILE 62 5.737 13.332 -0.135 687 2HD1 ILE 62 1HD1 ILE 62 7.311 14.142 -0.354 688 3HD1 ILE 62 2HD1 ILE 62 5.847 14.865 -1.024 689 QG1 ILE 62 QG1 ILE 62 6.394 13.447 -2.694 690 QG2 ILE 62 QG2 ILE 62 8.655 11.658 -0.882 691 QD1 ILE 62 QD1 ILE 62 6.298 14.113 -0.504 692 H PHE 63 H PHE 63 6.216 8.873 -3.498 693 HA PHE 63 HA PHE 63 8.549 7.308 -2.740 694 1HB PHE 63 1HB PHE 63 5.926 7.007 -2.263 695 2HB PHE 63 2HB PHE 63 5.982 6.091 -3.762 696 HD1 PHE 63 2HD PHE 63 7.553 4.058 -3.880 697 HD2 PHE 63 1HD PHE 63 6.816 6.236 -0.234 698 HE1 PHE 63 2HE PHE 63 8.412 2.130 -2.543 699 HE2 PHE 63 1HE PHE 63 7.654 4.319 1.088 700 1HZ PHE 63 HZ PHE 63 8.396 2.246 -0.086 701 QB PHE 63 QB PHE 63 5.954 6.549 -3.012 702 QG PHE 63 QD PHE 63 7.184 5.147 -2.057 703 QZ PHE 63 QE PHE 63 8.033 3.224 -0.728 704 QZ PHE 63 QR PHE 63 7.766 3.798 -1.131 705 H ASP 64 H ASP 64 6.922 8.147 -5.757 706 HA ASP 64 HA ASP 64 8.231 6.177 -7.409 707 1HB ASP 64 1HB ASP 64 5.993 7.467 -7.804 708 2HB ASP 64 2HB ASP 64 7.012 8.780 -8.351 709 QB ASP 64 QB ASP 64 6.503 8.123 -8.078 710 H ARG 65 H ARG 65 8.638 9.736 -6.843 711 HA ARG 65 HA ARG 65 10.913 10.007 -8.419 712 1HB ARG 65 1HB ARG 65 11.031 12.142 -7.612 713 2HB ARG 65 2HB ARG 65 9.314 11.791 -7.486 714 1HG ARG 65 1HG ARG 65 9.796 11.314 -5.035 715 2HG ARG 65 2HG ARG 65 11.394 12.008 -5.298 716 1HD ARG 65 1HD ARG 65 10.379 14.149 -5.944 717 2HD ARG 65 2HD ARG 65 8.755 13.467 -5.694 718 HE ARG 65 HE ARG 65 10.094 12.958 -3.340 719 1HH1 ARG 65 2HH2 ARG 65 9.315 15.990 -5.037 720 2HH1 ARG 65 1HH2 ARG 65 9.903 16.974 -3.713 721 1HH2 ARG 65 1HH1 ARG 65 10.303 16.029 -1.671 722 2HH2 ARG 65 2HH1 ARG 65 10.280 14.334 -1.423 723 QB ARG 65 QB ARG 65 10.173 11.967 -7.549 724 QG ARG 65 QG ARG 65 10.595 11.661 -5.167 725 QD ARG 65 QD ARG 65 9.567 13.808 -5.819 726 QH1 ARG 65 QH2 ARG 65 9.609 16.482 -4.375 727 QH2 ARG 65 QH1 ARG 65 10.291 15.181 -1.547 728 H TYR 66 H TYR 66 10.652 9.310 -4.980 729 HA TYR 66 HA TYR 66 13.579 8.677 -4.871 730 1HB TYR 66 1HB TYR 66 11.734 9.503 -2.619 731 2HB TYR 66 2HB TYR 66 13.455 9.173 -2.476 732 HD1 TYR 66 1HD TYR 66 14.362 10.724 -5.044 733 HD2 TYR 66 2HD TYR 66 11.758 11.727 -1.756 734 HE1 TYR 66 1HE TYR 66 14.907 13.117 -5.330 735 HE2 TYR 66 2HE TYR 66 12.419 14.075 -1.965 736 HH TYR 66 HH TYR 66 14.035 15.482 -2.841 737 QB TYR 66 QB TYR 66 12.594 9.338 -2.548 738 QG TYR 66 QD TYR 66 13.060 11.225 -3.400 739 QZ TYR 66 QE TYR 66 13.663 13.596 -3.648 740 QR TYR 66 QR TYR 66 13.362 12.411 -3.524 741 H GLY 67 H GLY 67 10.680 7.720 -2.944 742 1HA GLY 67 1HA GLY 67 10.059 5.270 -2.901 743 2HA GLY 67 2HA GLY 67 11.784 4.939 -2.822 744 QA GLY 67 QA GLY 67 10.921 5.104 -2.861 745 H GLU 68 H GLU 68 11.737 4.022 -0.763 746 HA GLU 68 HA GLU 68 10.356 4.975 1.510 747 1HB GLU 68 1HB GLU 68 12.998 3.445 1.354 748 2HB GLU 68 2HB GLU 68 12.003 3.655 2.784 749 1HG GLU 68 1HG GLU 68 11.598 1.491 2.030 750 2HG GLU 68 2HG GLU 68 10.141 2.422 1.666 751 QB GLU 68 QB GLU 68 12.501 3.550 2.069 752 QG GLU 68 QG GLU 68 10.870 1.957 1.848 753 H GLU 69 H GLU 69 13.558 5.846 0.141 754 HA GLU 69 HA GLU 69 14.439 7.311 2.471 755 1HB GLU 69 1HB GLU 69 15.319 7.153 -0.434 756 2HB GLU 69 2HB GLU 69 16.009 8.358 0.644 757 1HG GLU 69 1HG GLU 69 16.760 6.693 2.229 758 2HG GLU 69 2HG GLU 69 15.975 5.400 1.309 759 QB GLU 69 QB GLU 69 15.664 7.755 0.105 760 QG GLU 69 QG GLU 69 16.367 6.047 1.769 761 H GLY 70 H GLY 70 12.024 8.034 0.167 762 1HA GLY 70 1HA GLY 70 12.309 10.978 0.450 763 2HA GLY 70 2HA GLY 70 11.181 10.078 -0.581 764 QA GLY 70 QA GLY 70 11.745 10.528 -0.066 765 H LEU 71 H LEU 71 10.580 8.257 1.897 766 HA LEU 71 HA LEU 71 8.223 9.983 2.418 767 1HB LEU 71 1HB LEU 71 7.988 7.894 1.000 768 2HB LEU 71 2HB LEU 71 8.339 6.960 2.458 769 HG LEU 71 HG LEU 71 6.419 8.609 3.487 770 1HD1 LEU 71 2HD1 LEU 71 6.186 9.813 1.285 771 2HD1 LEU 71 3HD1 LEU 71 5.543 8.313 0.589 772 3HD1 LEU 71 1HD1 LEU 71 4.699 9.123 1.935 773 1HD2 LEU 71 2HD2 LEU 71 5.855 6.101 1.884 774 2HD2 LEU 71 3HD2 LEU 71 6.312 6.216 3.590 775 3HD2 LEU 71 1HD2 LEU 71 4.752 6.859 3.058 776 QB LEU 71 QB LEU 71 8.164 7.427 1.729 777 QD1 LEU 71 QD1 LEU 71 5.476 9.083 1.270 778 QD2 LEU 71 QD2 LEU 71 5.640 6.392 2.844 779 QQD LEU 71 QQD LEU 71 5.558 7.737 2.057 780 H LYS 72 H LYS 72 8.292 10.866 4.366 781 HA LYS 72 HA LYS 72 9.470 9.559 6.673 782 1HB LYS 72 1HB LYS 72 9.265 12.114 5.948 783 2HB LYS 72 2HB LYS 72 7.753 12.050 6.833 784 1HG LYS 72 1HG LYS 72 10.536 11.337 7.903 785 2HG LYS 72 2HG LYS 72 9.689 12.866 8.157 786 1HD LYS 72 1HD LYS 72 7.876 11.641 9.361 787 2HD LYS 72 2HD LYS 72 8.825 10.141 9.205 788 1HE LYS 72 1HE LYS 72 10.617 11.045 10.504 789 2HE LYS 72 2HE LYS 72 9.873 12.655 10.549 790 1HZ LYS 72 1HZ LYS 72 8.586 10.243 11.660 791 2HZ LYS 72 2HZ LYS 72 9.519 11.289 12.559 792 3HZ LYS 72 3HZ LYS 72 8.101 11.783 11.859 793 QB LYS 72 QB LYS 72 8.509 12.082 6.391 794 QG LYS 72 QG LYS 72 10.113 12.101 8.030 795 QD LYS 72 QD LYS 72 8.351 10.891 9.283 796 QE LYS 72 QE LYS 72 10.245 11.850 10.526 797 QZ LYS 72 QZ LYS 72 8.735 11.105 12.026 798 H GLY 73 H GLY 73 7.622 7.768 5.787 799 1HA GLY 73 1HA GLY 73 5.250 7.931 7.602 800 2HA GLY 73 2HA GLY 73 5.650 6.598 6.497 801 QA GLY 73 QA GLY 73 5.450 7.265 7.050 802 H SER 74 H SER 74 5.358 6.879 9.565 803 HA SER 74 HA SER 74 6.104 6.126 11.467 804 1HB SER 74 1HB SER 74 7.099 3.811 11.411 805 2HB SER 74 2HB SER 74 5.525 4.070 10.656 806 HG SER 74 HG SER 74 6.286 3.739 8.747 807 QB SER 74 QB SER 74 6.312 3.940 11.034 808 H GLY 75 H GLY 75 8.886 6.822 9.468 809 1HA GLY 75 1HA GLY 75 11.090 7.155 9.945 810 2HA GLY 75 2HA GLY 75 10.625 7.564 11.609 811 QA GLY 75 QA GLY 75 10.858 7.359 10.777 812 H CYS 76 H CYS 76 11.135 6.144 13.177 813 HA CYS 76 HA CYS 76 10.882 3.320 12.813 814 1HB CYS 76 1HB CYS 76 13.377 4.558 14.076 815 2HB CYS 76 2HB CYS 76 12.875 2.871 14.260 816 HG CYS 76 HG CYS 76 13.672 4.559 11.541 817 QB CYS 76 QB CYS 76 13.126 3.714 14.168 No H/Q in entry = 817 Start of MODEL 2 1 H MET 0 H MET 0 10.630 6.211 5.963 2 HA MET 0 HA MET 0 9.367 3.932 7.358 3 1HB MET 0 1HB MET 0 7.213 4.981 7.111 4 2HB MET 0 2HB MET 0 8.250 6.272 7.696 5 1HG MET 0 1HG MET 0 8.598 7.024 5.327 6 2HG MET 0 2HG MET 0 7.416 5.825 4.809 7 1HE MET 0 3HE MET 0 5.085 5.937 6.882 8 2HE MET 0 1HE MET 0 4.059 7.262 6.313 9 3HE MET 0 2HE MET 0 4.714 6.108 5.147 10 QB MET 0 QB MET 0 7.732 5.626 7.403 11 QG MET 0 QG MET 0 8.007 6.424 5.068 12 QE MET 0 QE MET 0 4.619 6.436 6.114 13 H GLY 1 H GLY 1 10.311 4.936 4.143 14 1HA GLY 1 1HA GLY 1 8.622 2.930 2.897 15 2HA GLY 1 2HA GLY 1 9.956 3.858 2.189 16 QA GLY 1 QA GLY 1 9.289 3.394 2.543 17 H LYS 2 H LYS 2 9.726 1.624 5.022 18 HA LYS 2 HA LYS 2 11.895 -0.078 4.147 19 1HB LYS 2 1HB LYS 2 11.092 -1.569 5.865 20 2HB LYS 2 2HB LYS 2 11.148 0.081 6.452 21 1HG LYS 2 1HG LYS 2 8.655 0.251 6.129 22 2HG LYS 2 2HG LYS 2 8.632 -1.438 5.605 23 1HD LYS 2 1HD LYS 2 9.629 -2.118 7.784 24 2HD LYS 2 2HD LYS 2 9.641 -0.417 8.269 25 1HE LYS 2 1HE LYS 2 7.759 -1.393 9.310 26 2HE LYS 2 2HE LYS 2 7.138 -0.360 8.020 27 1HZ LYS 2 1HZ LYS 2 7.468 -3.288 7.725 28 2HZ LYS 2 2HZ LYS 2 6.101 -2.561 8.277 29 3HZ LYS 2 3HZ LYS 2 6.619 -2.274 6.752 30 QB LYS 2 QB LYS 2 11.120 -0.744 6.159 31 QG LYS 2 QG LYS 2 8.643 -0.594 5.867 32 QD LYS 2 QD LYS 2 9.635 -1.268 8.027 33 QE LYS 2 QE LYS 2 7.448 -0.876 8.665 34 QZ LYS 2 QZ LYS 2 6.729 -2.707 7.584 35 H ASP 3 H ASP 3 10.565 0.347 1.840 36 HA ASP 3 HA ASP 3 9.574 -0.401 0.059 37 1HB ASP 3 1HB ASP 3 9.989 -2.441 -0.588 38 2HB ASP 3 2HB ASP 3 10.558 -2.829 1.017 39 QB ASP 3 QB ASP 3 10.274 -2.635 0.215 40 H TYR 4 H TYR 4 7.585 -0.236 -0.756 41 HA TYR 4 HA TYR 4 5.254 -0.831 1.013 42 1HB TYR 4 1HB TYR 4 5.600 1.703 -0.570 43 2HB TYR 4 2HB TYR 4 4.092 1.134 0.135 44 HD1 TYR 4 1HD TYR 4 4.960 0.099 2.842 45 HD2 TYR 4 2HD TYR 4 5.938 3.708 0.663 46 HE1 TYR 4 1HE TYR 4 5.227 1.269 4.944 47 HE2 TYR 4 2HE TYR 4 6.211 4.900 2.828 48 HH TYR 4 HH TYR 4 5.623 3.269 5.977 49 QB TYR 4 QB TYR 4 4.846 1.418 -0.218 50 QG TYR 4 QD TYR 4 5.449 1.903 1.753 51 QZ TYR 4 QE TYR 4 5.719 3.084 3.886 52 QR TYR 4 QR TYR 4 5.584 2.494 2.819 53 H TYR 5 H TYR 5 6.603 -0.941 -2.297 54 HA TYR 5 HA TYR 5 4.140 -1.566 -3.616 55 1HB TYR 5 1HB TYR 5 7.090 -2.059 -4.152 56 2HB TYR 5 2HB TYR 5 5.856 -2.784 -5.151 57 HD1 TYR 5 2HD TYR 5 4.303 -1.403 -6.537 58 HD2 TYR 5 1HD TYR 5 7.660 0.304 -4.427 59 HE1 TYR 5 2HE TYR 5 4.310 0.508 -8.106 60 HE2 TYR 5 1HE TYR 5 7.667 2.214 -6.000 61 HH TYR 5 HH TYR 5 5.867 2.294 -8.974 62 QB TYR 5 QB TYR 5 6.473 -2.421 -4.652 63 QG TYR 5 QD TYR 5 5.981 -0.549 -5.482 64 QZ TYR 5 QE TYR 5 5.989 1.361 -7.053 65 QR TYR 5 QR TYR 5 5.985 0.406 -6.268 66 H GLN 6 H GLN 6 6.785 -3.674 -2.300 67 HA GLN 6 HA GLN 6 5.325 -6.075 -2.676 68 1HB GLN 6 1HB GLN 6 7.397 -6.232 -0.706 69 2HB GLN 6 2HB GLN 6 7.133 -7.123 -2.139 70 1HG GLN 6 1HG GLN 6 8.335 -5.342 -3.439 71 2HG GLN 6 2HG GLN 6 8.556 -4.396 -1.974 72 1HE2 GLN 6 2HE2 GLN 6 10.775 -6.954 -0.497 73 2HE2 GLN 6 1HE2 GLN 6 9.530 -5.783 -0.069 74 QB GLN 6 QB GLN 6 7.265 -6.677 -1.423 75 QG GLN 6 QG GLN 6 8.445 -4.869 -2.706 76 QE2 GLN 6 QE2 GLN 6 10.153 -6.369 -0.283 77 H THR 7 H THR 7 5.830 -4.057 0.072 78 HA THR 7 HA THR 7 4.373 -5.497 1.947 79 HB THR 7 HB THR 7 4.166 -2.480 1.592 80 HG1 THR 7 1HG THR 7 6.196 -2.551 2.175 81 1HG2 THR 7 1HG2 THR 7 3.659 -4.217 4.038 82 2HG2 THR 7 2HG2 THR 7 3.798 -2.441 4.078 83 3HG2 THR 7 3HG2 THR 7 2.471 -3.189 3.207 84 QG2 THR 7 QG2 THR 7 3.310 -3.283 3.774 85 H LEU 8 H LEU 8 2.941 -3.820 -0.744 86 HA LEU 8 HA LEU 8 0.275 -4.853 0.100 87 1HB LEU 8 1HB LEU 8 0.581 -2.373 -0.514 88 2HB LEU 8 2HB LEU 8 0.778 -2.923 -2.168 89 HG LEU 8 HG LEU 8 -1.517 -4.102 -1.897 90 1HD1 LEU 8 3HD1 LEU 8 -1.597 -2.335 0.580 91 2HD1 LEU 8 1HD1 LEU 8 -2.992 -3.181 -0.129 92 3HD1 LEU 8 2HD1 LEU 8 -1.657 -4.106 0.568 93 1HD2 LEU 8 1HD2 LEU 8 -1.223 -1.953 -3.108 94 2HD2 LEU 8 2HD2 LEU 8 -2.797 -2.266 -2.414 95 3HD2 LEU 8 3HD2 LEU 8 -1.710 -1.116 -1.603 96 QB LEU 8 QB LEU 8 0.679 -2.648 -1.341 97 QD1 LEU 8 QD1 LEU 8 -2.082 -3.207 0.340 98 QD2 LEU 8 QD2 LEU 8 -1.910 -1.778 -2.375 99 QQD LEU 8 QQD LEU 8 -1.996 -2.493 -1.018 100 H GLY 9 H GLY 9 2.886 -5.889 -1.611 101 1HA GLY 9 1HA GLY 9 3.143 -7.838 -2.794 102 2HA GLY 9 2HA GLY 9 1.393 -8.095 -2.716 103 QA GLY 9 QA GLY 9 2.268 -7.966 -2.755 104 H LEU 10 H LEU 10 3.606 -5.678 -4.208 105 HA LEU 10 HA LEU 10 2.560 -6.317 -6.918 106 1HB LEU 10 1HB LEU 10 3.165 -3.566 -5.749 107 2HB LEU 10 2HB LEU 10 2.852 -3.884 -7.441 108 HG LEU 10 HG LEU 10 0.665 -4.976 -5.824 109 1HD1 LEU 10 2HD1 LEU 10 1.263 -2.022 -5.466 110 2HD1 LEU 10 3HD1 LEU 10 -0.225 -2.867 -4.970 111 3HD1 LEU 10 1HD1 LEU 10 1.332 -3.279 -4.222 112 1HD2 LEU 10 3HD2 LEU 10 0.588 -4.435 -8.255 113 2HD2 LEU 10 1HD2 LEU 10 -0.715 -3.733 -7.282 114 3HD2 LEU 10 2HD2 LEU 10 0.627 -2.702 -7.822 115 QB LEU 10 QB LEU 10 3.008 -3.725 -6.595 116 QD1 LEU 10 QD1 LEU 10 0.790 -2.722 -4.886 117 QD2 LEU 10 QD2 LEU 10 0.166 -3.623 -7.786 118 QQD LEU 10 QQD LEU 10 0.478 -3.173 -6.336 119 H ALA 11 H ALA 11 4.191 -5.748 -8.556 120 HA ALA 11 HA ALA 11 7.001 -5.970 -7.647 121 1HB ALA 11 3HB ALA 11 5.764 -5.417 -10.385 122 2HB ALA 11 1HB ALA 11 7.489 -5.711 -10.075 123 3HB ALA 11 2HB ALA 11 6.309 -7.004 -9.792 124 QB ALA 11 QB ALA 11 6.521 -6.044 -10.084 125 H ARG 12 H ARG 12 8.528 -4.165 -8.128 126 HA ARG 12 HA ARG 12 7.301 -1.617 -7.349 127 1HB ARG 12 1HB ARG 12 9.504 -0.807 -6.944 128 2HB ARG 12 2HB ARG 12 9.275 -2.347 -6.142 129 1HG ARG 12 1HG ARG 12 10.606 -2.363 -8.860 130 2HG ARG 12 2HG ARG 12 11.484 -1.682 -7.506 131 1HD ARG 12 1HD ARG 12 11.334 -3.777 -6.270 132 2HD ARG 12 2HD ARG 12 10.368 -4.499 -7.565 133 HE ARG 12 HE ARG 12 12.269 -4.023 -9.102 134 1HH1 ARG 12 2HH2 ARG 12 13.142 -4.319 -5.596 135 2HH1 ARG 12 1HH2 ARG 12 14.772 -4.662 -5.973 136 1HH2 ARG 12 2HH1 ARG 12 14.430 -4.210 -9.476 137 2HH2 ARG 12 1HH1 ARG 12 15.547 -4.243 -8.160 138 QB ARG 12 QB ARG 12 9.390 -1.577 -6.543 139 QG ARG 12 QG ARG 12 11.045 -2.022 -8.183 140 QD ARG 12 QD ARG 12 10.851 -4.138 -6.918 141 QH1 ARG 12 QH2 ARG 12 13.957 -4.490 -5.784 142 QH2 ARG 12 QH1 ARG 12 14.988 -4.227 -8.818 143 H GLY 13 H GLY 13 6.227 -2.024 -9.600 144 1HA GLY 13 1HA GLY 13 6.839 0.118 -11.360 145 2HA GLY 13 2HA GLY 13 7.522 -1.397 -12.009 146 QA GLY 13 QA GLY 13 7.180 -0.639 -11.685 147 H ALA 14 H ALA 14 4.586 -0.348 -10.237 148 HA ALA 14 HA ALA 14 2.898 -2.096 -11.956 149 1HB ALA 14 1HB ALA 14 3.320 -3.154 -9.770 150 2HB ALA 14 2HB ALA 14 2.738 -1.691 -8.935 151 3HB ALA 14 3HB ALA 14 1.636 -2.660 -9.931 152 QB ALA 14 QB ALA 14 2.565 -2.502 -9.546 153 H SER 15 H SER 15 1.038 -1.222 -12.569 154 HA SER 15 HA SER 15 0.956 1.705 -12.589 155 1HB SER 15 1HB SER 15 -0.846 1.229 -14.349 156 2HB SER 15 2HB SER 15 0.792 0.697 -14.703 157 HG SER 15 HG SER 15 0.164 -1.438 -14.021 158 QB SER 15 QB SER 15 -0.027 0.963 -14.526 159 H ASP 16 H ASP 16 -1.356 2.765 -12.677 160 HA ASP 16 HA ASP 16 -2.138 2.784 -10.005 161 1HB ASP 16 1HB ASP 16 -3.429 3.878 -12.529 162 2HB ASP 16 2HB ASP 16 -4.259 3.973 -10.978 163 QB ASP 16 QB ASP 16 -3.844 3.926 -11.753 164 H GLU 17 H GLU 17 -3.714 1.250 -12.782 165 HA GLU 17 HA GLU 17 -5.930 0.080 -11.302 166 1HB GLU 17 1HB GLU 17 -6.287 0.851 -13.522 167 2HB GLU 17 2HB GLU 17 -4.865 0.032 -14.140 168 1HG GLU 17 1HG GLU 17 -6.987 -0.944 -14.910 169 2HG GLU 17 2HG GLU 17 -5.916 -2.083 -14.126 170 QB GLU 17 QB GLU 17 -5.576 0.442 -13.831 171 QG GLU 17 QG GLU 17 -6.452 -1.514 -14.518 172 H GLU 18 H GLU 18 -2.693 -0.662 -11.247 173 HA GLU 18 HA GLU 18 -3.074 -3.571 -10.936 174 1HB GLU 18 1HB GLU 18 -1.151 -2.113 -12.195 175 2HB GLU 18 2HB GLU 18 -0.440 -2.171 -10.580 176 1HG GLU 18 1HG GLU 18 -0.546 -4.608 -10.596 177 2HG GLU 18 2HG GLU 18 -1.387 -4.579 -12.163 178 QB GLU 18 QB GLU 18 -0.796 -2.142 -11.387 179 QG GLU 18 QG GLU 18 -0.966 -4.594 -11.380 180 H ILE 19 H ILE 19 -1.896 -0.603 -9.370 181 HA ILE 19 HA ILE 19 -1.453 -1.523 -6.744 182 HB ILE 19 HB ILE 19 -1.942 1.159 -8.055 183 1HG1 ILE 19 1HG1 ILE 19 0.391 -0.239 -6.682 184 2HG1 ILE 19 2HG1 ILE 19 0.202 0.037 -8.402 185 1HG2 ILE 19 1HG2 ILE 19 -1.662 0.662 -5.073 186 2HG2 ILE 19 2HG2 ILE 19 -1.461 2.259 -5.857 187 3HG2 ILE 19 3HG2 ILE 19 -3.005 1.447 -5.904 188 1HD1 ILE 19 2HD1 ILE 19 0.350 2.504 -7.992 189 2HD1 ILE 19 3HD1 ILE 19 0.716 2.153 -6.281 190 3HD1 ILE 19 1HD1 ILE 19 1.813 1.588 -7.546 191 QG1 ILE 19 QG1 ILE 19 0.296 -0.101 -7.542 192 QG2 ILE 19 QG2 ILE 19 -2.043 1.456 -5.611 193 QD1 ILE 19 QD1 ILE 19 0.960 2.082 -7.273 194 H LYS 20 H LYS 20 -4.342 0.180 -8.098 195 HA LYS 20 HA LYS 20 -5.904 -0.081 -5.746 196 1HB LYS 20 1HB LYS 20 -6.384 1.476 -7.561 197 2HB LYS 20 2HB LYS 20 -6.746 0.138 -8.663 198 1HG LYS 20 1HG LYS 20 -8.726 -0.473 -7.387 199 2HG LYS 20 2HG LYS 20 -8.250 0.580 -6.050 200 1HD LYS 20 1HD LYS 20 -10.042 1.614 -7.333 201 2HD LYS 20 2HD LYS 20 -8.554 2.564 -7.417 202 1HE LYS 20 1HE LYS 20 -8.062 1.562 -9.658 203 2HE LYS 20 2HE LYS 20 -9.603 0.683 -9.594 204 1HZ LYS 20 3HZ LYS 20 -9.367 3.614 -9.347 205 2HZ LYS 20 1HZ LYS 20 -9.610 2.907 -10.787 206 3HZ LYS 20 2HZ LYS 20 -10.756 2.763 -9.611 207 QB LYS 20 QB LYS 20 -6.565 0.807 -8.112 208 QG LYS 20 QG LYS 20 -8.488 0.053 -6.719 209 QD LYS 20 QD LYS 20 -9.298 2.089 -7.375 210 QE LYS 20 QE LYS 20 -8.832 1.123 -9.626 211 QZ LYS 20 QZ LYS 20 -9.911 3.095 -9.915 212 H ARG 21 H ARG 21 -5.594 -2.231 -8.564 213 HA ARG 21 HA ARG 21 -7.401 -4.233 -7.975 214 1HB ARG 21 1HB ARG 21 -5.274 -3.900 -9.746 215 2HB ARG 21 2HB ARG 21 -4.688 -5.188 -8.750 216 1HG ARG 21 1HG ARG 21 -5.661 -6.340 -10.418 217 2HG ARG 21 2HG ARG 21 -6.948 -6.368 -9.206 218 1HD ARG 21 1HD ARG 21 -8.336 -5.031 -10.478 219 2HD ARG 21 2HD ARG 21 -7.029 -4.044 -11.106 220 HE ARG 21 HE ARG 21 -8.021 -6.595 -12.150 221 1HH1 ARG 21 2HH2 ARG 21 -5.692 -3.934 -12.588 222 2HH1 ARG 21 1HH2 ARG 21 -5.225 -4.440 -14.175 223 1HH2 ARG 21 2HH1 ARG 21 -7.380 -7.236 -14.233 224 2HH2 ARG 21 1HH1 ARG 21 -6.020 -6.520 -15.004 225 QB ARG 21 QB ARG 21 -4.981 -4.544 -9.248 226 QG ARG 21 QG ARG 21 -6.304 -6.354 -9.812 227 QD ARG 21 QD ARG 21 -7.682 -4.538 -10.792 228 QH1 ARG 21 QH2 ARG 21 -5.459 -4.187 -13.382 229 QH2 ARG 21 QH1 ARG 21 -6.700 -6.878 -14.619 230 H ALA 22 H ALA 22 -4.028 -3.953 -6.761 231 HA ALA 22 HA ALA 22 -4.147 -6.231 -5.054 232 1HB ALA 22 1HB ALA 22 -2.019 -5.221 -5.760 233 2HB ALA 22 2HB ALA 22 -2.380 -3.767 -4.805 234 3HB ALA 22 3HB ALA 22 -2.136 -5.326 -3.998 235 QB ALA 22 QB ALA 22 -2.178 -4.771 -4.854 236 H TYR 23 H TYR 23 -4.658 -2.659 -4.280 237 HA TYR 23 HA TYR 23 -4.948 -3.108 -1.548 238 1HB TYR 23 1HB TYR 23 -4.501 -0.968 -1.901 239 2HB TYR 23 2HB TYR 23 -4.912 -1.017 -3.580 240 HD1 TYR 23 1HD TYR 23 -7.728 -1.019 -3.884 241 HD2 TYR 23 2HD TYR 23 -5.211 1.018 -1.006 242 HE1 TYR 23 1HE TYR 23 -9.274 0.857 -3.889 243 HE2 TYR 23 2HE TYR 23 -6.786 2.919 -1.021 244 HH TYR 23 HH TYR 23 -9.359 3.209 -3.392 245 QB TYR 23 QB TYR 23 -4.706 -0.993 -2.741 246 QG TYR 23 QD TYR 23 -6.470 -0.001 -2.445 247 QZ TYR 23 QE TYR 23 -8.030 1.888 -2.455 248 QR TYR 23 QR TYR 23 -7.250 0.943 -2.450 249 H ARG 24 H ARG 24 -7.517 -3.187 -4.105 250 HA ARG 24 HA ARG 24 -9.581 -3.486 -2.062 251 1HB ARG 24 1HB ARG 24 -11.131 -3.734 -3.807 252 2HB ARG 24 2HB ARG 24 -10.004 -2.487 -4.296 253 1HG ARG 24 1HG ARG 24 -9.515 -3.569 -6.188 254 2HG ARG 24 2HG ARG 24 -9.011 -5.006 -5.316 255 1HD ARG 24 1HD ARG 24 -11.861 -4.364 -6.179 256 2HD ARG 24 2HD ARG 24 -10.775 -5.526 -6.939 257 HE ARG 24 HE ARG 24 -11.088 -6.138 -4.156 258 1HH1 ARG 24 2HH2 ARG 24 -13.109 -6.152 -7.095 259 2HH1 ARG 24 1HH2 ARG 24 -14.159 -7.393 -6.473 260 1HH2 ARG 24 2HH1 ARG 24 -12.239 -8.048 -3.577 261 2HH2 ARG 24 1HH1 ARG 24 -13.611 -8.540 -4.488 262 QB ARG 24 QB ARG 24 -10.568 -3.110 -4.052 263 QG ARG 24 QG ARG 24 -9.263 -4.287 -5.752 264 QD ARG 24 QD ARG 24 -11.318 -4.945 -6.559 265 QH1 ARG 24 QH2 ARG 24 -13.634 -6.773 -6.784 266 QH2 ARG 24 QH1 ARG 24 -12.925 -8.294 -4.033 267 H ARG 25 H ARG 25 -7.230 -5.715 -3.035 268 HA ARG 25 HA ARG 25 -8.931 -7.874 -1.890 269 1HB ARG 25 1HB ARG 25 -7.865 -9.545 -3.248 270 2HB ARG 25 2HB ARG 25 -8.579 -8.299 -4.262 271 1HG ARG 25 1HG ARG 25 -6.625 -8.717 -5.358 272 2HG ARG 25 2HG ARG 25 -6.219 -7.296 -4.418 273 1HD ARG 25 1HD ARG 25 -5.018 -8.690 -2.772 274 2HD ARG 25 2HD ARG 25 -5.483 -10.143 -3.674 275 HE ARG 25 HE ARG 25 -4.288 -8.533 -5.572 276 1HH1 ARG 25 2HH2 ARG 25 -3.113 -9.851 -2.447 277 2HH1 ARG 25 1HH2 ARG 25 -1.554 -10.201 -3.088 278 1HH2 ARG 25 2HH1 ARG 25 -2.214 -8.698 -6.257 279 2HH2 ARG 25 1HH1 ARG 25 -0.956 -9.398 -5.287 280 QB ARG 25 QB ARG 25 -8.222 -8.922 -3.755 281 QG ARG 25 QG ARG 25 -6.422 -8.006 -4.888 282 QD ARG 25 QD ARG 25 -5.251 -9.417 -3.223 283 QH1 ARG 25 QH2 ARG 25 -2.333 -10.026 -2.767 284 QH2 ARG 25 QH1 ARG 25 -1.585 -9.048 -5.772 285 H GLN 26 H GLN 26 -6.272 -5.887 -1.307 286 HA GLN 26 HA GLN 26 -5.066 -7.826 0.568 287 1HB GLN 26 1HB GLN 26 -4.408 -5.074 -0.536 288 2HB GLN 26 2HB GLN 26 -3.504 -5.753 0.761 289 1HG GLN 26 1HG GLN 26 -3.811 -6.997 -2.011 290 2HG GLN 26 2HG GLN 26 -2.445 -6.063 -1.456 291 1HE2 GLN 26 2HE2 GLN 26 -0.804 -8.980 -0.324 292 2HE2 GLN 26 1HE2 GLN 26 -0.726 -7.332 -0.929 293 QB GLN 26 QB GLN 26 -3.956 -5.414 0.112 294 QG GLN 26 QG GLN 26 -3.128 -6.530 -1.733 295 QE2 GLN 26 QE2 GLN 26 -0.765 -8.156 -0.627 296 H ALA 27 H ALA 27 -6.867 -4.651 0.691 297 HA ALA 27 HA ALA 27 -6.722 -4.622 3.609 298 1HB ALA 27 3HB ALA 27 -8.511 -3.203 1.610 299 2HB ALA 27 1HB ALA 27 -8.749 -3.083 3.361 300 3HB ALA 27 2HB ALA 27 -7.228 -2.531 2.673 301 QB ALA 27 QB ALA 27 -8.163 -2.939 2.548 302 H LEU 28 H LEU 28 -9.388 -5.330 1.330 303 HA LEU 28 HA LEU 28 -11.230 -6.385 2.929 304 1HB LEU 28 1HB LEU 28 -11.267 -5.970 0.427 305 2HB LEU 28 2HB LEU 28 -10.538 -7.562 0.219 306 HG LEU 28 HG LEU 28 -12.539 -8.615 1.263 307 1HD1 LEU 28 3HD1 LEU 28 -13.574 -5.742 1.387 308 2HD1 LEU 28 1HD1 LEU 28 -14.595 -7.190 1.567 309 3HD1 LEU 28 2HD1 LEU 28 -13.336 -6.849 2.764 310 1HD2 LEU 28 3HD2 LEU 28 -12.435 -8.239 -1.186 311 2HD2 LEU 28 1HD2 LEU 28 -14.093 -8.136 -0.583 312 3HD2 LEU 28 2HD2 LEU 28 -13.199 -6.654 -0.987 313 QB LEU 28 QB LEU 28 -10.903 -6.766 0.323 314 QD1 LEU 28 QD1 LEU 28 -13.835 -6.594 1.906 315 QD2 LEU 28 QD2 LEU 28 -13.242 -7.676 -0.919 316 QQD LEU 28 QQD LEU 28 -13.539 -7.135 0.494 317 H ARG 29 H ARG 29 -8.300 -7.956 2.081 318 HA ARG 29 HA ARG 29 -8.740 -10.671 2.638 319 1HB ARG 29 1HB ARG 29 -6.773 -9.217 1.589 320 2HB ARG 29 2HB ARG 29 -6.110 -9.257 3.200 321 1HG ARG 29 1HG ARG 29 -6.038 -11.698 3.137 322 2HG ARG 29 2HG ARG 29 -6.951 -11.717 1.619 323 1HD ARG 29 1HD ARG 29 -5.125 -10.460 0.487 324 2HD ARG 29 2HD ARG 29 -4.190 -10.456 1.982 325 HE ARG 29 HE ARG 29 -3.598 -12.633 1.651 326 1HH1 ARG 29 2HH2 ARG 29 -6.248 -11.870 -0.567 327 2HH1 ARG 29 1HH2 ARG 29 -6.344 -13.472 -1.245 328 1HH2 ARG 29 2HH1 ARG 29 -3.588 -14.675 0.661 329 2HH2 ARG 29 1HH1 ARG 29 -4.743 -15.087 -0.573 330 QB ARG 29 QB ARG 29 -6.441 -9.237 2.394 331 QG ARG 29 QG ARG 29 -6.494 -11.708 2.378 332 QD ARG 29 QD ARG 29 -4.658 -10.458 1.235 333 QH1 ARG 29 QH2 ARG 29 -6.296 -12.671 -0.906 334 QH2 ARG 29 QH1 ARG 29 -4.166 -14.881 0.044 335 H TYR 30 H TYR 30 -7.740 -7.982 4.798 336 HA TYR 30 HA TYR 30 -8.119 -9.738 7.184 337 1HB TYR 30 1HB TYR 30 -5.903 -7.680 6.828 338 2HB TYR 30 2HB TYR 30 -6.092 -8.843 8.134 339 HD1 TYR 30 2HD TYR 30 -6.324 -11.415 7.169 340 HD2 TYR 30 1HD TYR 30 -4.221 -8.187 5.269 341 HE1 TYR 30 2HE TYR 30 -5.023 -13.045 5.892 342 HE2 TYR 30 1HE TYR 30 -2.877 -9.816 3.961 343 HH TYR 30 HH TYR 30 -3.599 -13.356 4.194 344 QB TYR 30 QB TYR 30 -5.997 -8.262 7.481 345 QG TYR 30 QD TYR 30 -5.272 -9.801 6.219 346 QZ TYR 30 QE TYR 30 -3.950 -11.430 4.926 347 QR TYR 30 QR TYR 30 -4.611 -10.616 5.573 348 H HIS 31 H HIS 31 -9.662 -7.509 5.733 349 HA HIS 31 HA HIS 31 -9.703 -5.145 7.196 350 1HB HIS 31 1HB HIS 31 -11.113 -6.313 5.049 351 2HB HIS 31 2HB HIS 31 -12.356 -6.134 6.251 352 HD1 HIS 31 1HD HIS 31 -9.837 -3.246 6.132 353 HD2 HIS 31 2HD HIS 31 -13.535 -4.449 4.496 354 HE1 HIS 31 1HE HIS 31 -10.816 -1.213 5.018 355 QB HIS 31 QB HIS 31 -11.734 -6.223 5.650 356 HA PRO 32 HA PRO 32 -11.457 -6.777 11.032 357 1HB PRO 32 1HB PRO 32 -12.314 -4.461 12.241 358 2HB PRO 32 2HB PRO 32 -10.590 -4.938 12.118 359 1HG PRO 32 1HG PRO 32 -12.130 -3.093 10.276 360 2HG PRO 32 2HG PRO 32 -10.548 -2.775 11.071 361 1HD PRO 32 1HD PRO 32 -10.719 -3.646 8.520 362 2HD PRO 32 2HD PRO 32 -9.438 -4.268 9.598 363 QB PRO 32 QB PRO 32 -11.452 -4.699 12.179 364 QG PRO 32 QG PRO 32 -11.339 -2.934 10.673 365 QD PRO 32 QD PRO 32 -10.079 -3.957 9.059 366 H ASP 33 H ASP 33 -13.113 -5.085 8.592 367 HA ASP 33 HA ASP 33 -15.867 -5.394 9.422 368 1HB ASP 33 1HB ASP 33 -15.205 -3.529 8.070 369 2HB ASP 33 2HB ASP 33 -14.273 -4.540 6.975 370 QB ASP 33 QB ASP 33 -14.739 -4.035 7.523 371 H LYS 34 H LYS 34 -13.519 -7.542 7.900 372 HA LYS 34 HA LYS 34 -15.743 -9.214 6.758 373 1HB LYS 34 1HB LYS 34 -15.034 -7.732 4.957 374 2HB LYS 34 2HB LYS 34 -13.352 -8.013 5.336 375 1HG LYS 34 1HG LYS 34 -13.733 -9.193 3.331 376 2HG LYS 34 2HG LYS 34 -13.530 -10.397 4.589 377 1HD LYS 34 1HD LYS 34 -15.440 -11.103 3.320 378 2HD LYS 34 2HD LYS 34 -16.092 -10.399 4.805 379 1HE LYS 34 1HE LYS 34 -16.124 -8.167 3.293 380 2HE LYS 34 2HE LYS 34 -16.166 -9.351 1.972 381 1HZ LYS 34 2HZ LYS 34 -18.147 -10.297 3.104 382 2HZ LYS 34 3HZ LYS 34 -18.055 -9.106 4.230 383 3HZ LYS 34 1HZ LYS 34 -18.365 -8.712 2.672 384 QB LYS 34 QB LYS 34 -14.193 -7.872 5.146 385 QG LYS 34 QG LYS 34 -13.632 -9.795 3.960 386 QD LYS 34 QD LYS 34 -15.766 -10.751 4.063 387 QE LYS 34 QE LYS 34 -16.145 -8.759 2.633 388 QZ LYS 34 QZ LYS 34 -18.189 -9.372 3.335 389 H ASN 35 H ASN 35 -12.476 -9.046 8.160 390 HA ASN 35 HA ASN 35 -12.558 -11.829 8.867 391 1HB ASN 35 1HB ASN 35 -11.640 -12.067 6.577 392 2HB ASN 35 2HB ASN 35 -10.405 -10.845 6.939 393 1HD2 ASN 35 2HD2 ASN 35 -8.474 -13.811 7.447 394 2HD2 ASN 35 1HD2 ASN 35 -8.746 -12.453 6.383 395 QB ASN 35 QB ASN 35 -11.023 -11.456 6.758 396 QD2 ASN 35 QD2 ASN 35 -8.610 -13.132 6.915 397 H LYS 36 H LYS 36 -12.162 -11.307 10.990 398 HA LYS 36 HA LYS 36 -9.972 -9.411 11.704 399 1HB LYS 36 1HB LYS 36 -12.128 -10.819 13.206 400 2HB LYS 36 2HB LYS 36 -10.692 -10.341 14.078 401 1HG LYS 36 1HG LYS 36 -12.473 -8.424 12.521 402 2HG LYS 36 2HG LYS 36 -12.616 -8.737 14.255 403 1HD LYS 36 1HD LYS 36 -10.122 -7.625 12.926 404 2HD LYS 36 2HD LYS 36 -11.358 -6.655 13.729 405 1HE LYS 36 1HE LYS 36 -10.783 -7.343 15.850 406 2HE LYS 36 2HE LYS 36 -10.142 -8.899 15.322 407 1HZ LYS 36 2HZ LYS 36 -8.762 -6.404 14.638 408 2HZ LYS 36 3HZ LYS 36 -8.509 -7.149 16.057 409 3HZ LYS 36 1HZ LYS 36 -8.188 -7.964 14.642 410 QB LYS 36 QB LYS 36 -11.410 -10.580 13.642 411 QG LYS 36 QG LYS 36 -12.545 -8.580 13.388 412 QD LYS 36 QD LYS 36 -10.740 -7.140 13.328 413 QE LYS 36 QE LYS 36 -10.463 -8.121 15.586 414 QZ LYS 36 QZ LYS 36 -8.486 -7.172 15.112 415 H GLU 37 H GLU 37 -8.559 -10.750 10.445 416 HA GLU 37 HA GLU 37 -8.303 -13.514 10.892 417 1HB GLU 37 1HB GLU 37 -7.604 -11.981 8.934 418 2HB GLU 37 2HB GLU 37 -6.107 -11.781 9.743 419 1HG GLU 37 1HG GLU 37 -7.090 -14.591 9.296 420 2HG GLU 37 2HG GLU 37 -6.546 -13.670 7.908 421 QB GLU 37 QB GLU 37 -6.855 -11.881 9.338 422 QG GLU 37 QG GLU 37 -6.818 -14.130 8.602 423 HA PRO 38 HA PRO 38 -6.425 -13.163 14.836 424 1HB PRO 38 1HB PRO 38 -5.150 -15.605 15.164 425 2HB PRO 38 2HB PRO 38 -6.907 -15.305 15.293 426 1HG PRO 38 1HG PRO 38 -5.364 -16.341 12.900 427 2HG PRO 38 2HG PRO 38 -6.915 -16.936 13.539 428 1HD PRO 38 1HD PRO 38 -6.804 -15.297 11.418 429 2HD PRO 38 2HD PRO 38 -8.103 -15.121 12.631 430 QB PRO 38 QB PRO 38 -6.029 -15.455 15.229 431 QG PRO 38 QG PRO 38 -6.139 -16.639 13.220 432 QD PRO 38 QD PRO 38 -7.454 -15.209 12.024 433 H GLY 39 H GLY 39 -4.823 -11.814 15.307 434 1HA GLY 39 1HA GLY 39 -2.682 -11.106 15.711 435 2HA GLY 39 2HA GLY 39 -2.014 -12.423 14.738 436 QA GLY 39 QA GLY 39 -2.348 -11.765 15.225 437 H ALA 40 H ALA 40 -4.413 -11.063 12.817 438 HA ALA 40 HA ALA 40 -2.415 -9.701 11.200 439 1HB ALA 40 3HB ALA 40 -4.173 -11.120 10.230 440 2HB ALA 40 1HB ALA 40 -5.410 -9.925 10.749 441 3HB ALA 40 2HB ALA 40 -4.173 -9.483 9.557 442 QB ALA 40 QB ALA 40 -4.585 -10.176 10.179 443 H GLU 41 H GLU 41 -3.982 -8.586 13.930 444 HA GLU 41 HA GLU 41 -5.014 -6.075 13.220 445 1HB GLU 41 1HB GLU 41 -4.860 -7.410 15.462 446 2HB GLU 41 2HB GLU 41 -3.330 -6.589 15.711 447 1HG GLU 41 1HG GLU 41 -6.107 -5.390 15.364 448 2HG GLU 41 2HG GLU 41 -5.234 -5.556 16.885 449 QB GLU 41 QB GLU 41 -4.095 -6.999 15.586 450 QG GLU 41 QG GLU 41 -5.671 -5.473 16.124 451 H GLU 42 H GLU 42 -1.672 -7.080 13.922 452 HA GLU 42 HA GLU 42 -0.475 -4.522 13.381 453 1HB GLU 42 1HB GLU 42 0.499 -6.320 14.815 454 2HB GLU 42 2HB GLU 42 0.772 -7.303 13.369 455 1HG GLU 42 1HG GLU 42 2.239 -5.512 12.451 456 2HG GLU 42 2HG GLU 42 1.963 -4.540 13.902 457 QB GLU 42 QB GLU 42 0.636 -6.812 14.092 458 QG GLU 42 QG GLU 42 2.101 -5.026 13.177 459 H LYS 43 H LYS 43 -0.840 -7.496 11.437 460 HA LYS 43 HA LYS 43 0.598 -6.548 9.253 461 1HB LYS 43 1HB LYS 43 -0.797 -8.910 9.786 462 2HB LYS 43 2HB LYS 43 -1.657 -8.287 8.404 463 1HG LYS 43 1HG LYS 43 1.320 -8.857 8.571 464 2HG LYS 43 2HG LYS 43 0.126 -9.767 7.644 465 1HD LYS 43 1HD LYS 43 -0.232 -7.726 6.202 466 2HD LYS 43 2HD LYS 43 1.036 -6.904 7.133 467 1HE LYS 43 1HE LYS 43 2.609 -8.791 6.470 468 2HE LYS 43 2HE LYS 43 1.373 -9.297 5.312 469 1HZ LYS 43 3HZ LYS 43 1.536 -7.032 4.346 470 2HZ LYS 43 1HZ LYS 43 2.793 -6.697 5.369 471 3HZ LYS 43 2HZ LYS 43 2.935 -7.872 4.237 472 QB LYS 43 QB LYS 43 -1.227 -8.599 9.095 473 QG LYS 43 QG LYS 43 0.723 -9.312 8.107 474 QD LYS 43 QD LYS 43 0.402 -7.315 6.668 475 QE LYS 43 QE LYS 43 1.991 -9.044 5.891 476 QZ LYS 43 QZ LYS 43 2.421 -7.200 4.651 477 H PHE 44 H PHE 44 -2.798 -6.193 10.041 478 HA PHE 44 HA PHE 44 -3.647 -4.979 7.597 479 1HB PHE 44 1HB PHE 44 -5.184 -5.878 9.352 480 2HB PHE 44 2HB PHE 44 -4.772 -4.521 10.388 481 HD1 PHE 44 1HD PHE 44 -6.159 -5.359 7.002 482 HD2 PHE 44 2HD PHE 44 -5.993 -2.436 10.175 483 HE1 PHE 44 1HE PHE 44 -7.839 -3.994 5.824 484 HE2 PHE 44 2HE PHE 44 -7.739 -1.113 9.026 485 1HZ PHE 44 HZ PHE 44 -8.632 -1.827 6.849 486 QB PHE 44 QB PHE 44 -4.978 -5.200 9.870 487 QG PHE 44 QD PHE 44 -6.076 -3.897 8.589 488 QZ PHE 44 QE PHE 44 -7.789 -2.554 7.425 489 QZ PHE 44 QR PHE 44 -7.272 -2.946 7.775 490 H LYS 45 H LYS 45 -2.383 -3.538 10.652 491 HA LYS 45 HA LYS 45 -2.364 -0.827 9.728 492 1HB LYS 45 1HB LYS 45 -0.669 -2.292 11.777 493 2HB LYS 45 2HB LYS 45 -0.460 -0.581 11.421 494 1HG LYS 45 1HG LYS 45 -2.652 -0.020 12.145 495 2HG LYS 45 2HG LYS 45 -3.137 -1.727 12.279 496 1HD LYS 45 1HD LYS 45 -1.708 -2.125 14.132 497 2HD LYS 45 2HD LYS 45 -0.763 -0.661 13.844 498 1HE LYS 45 1HE LYS 45 -2.222 -0.418 15.791 499 2HE LYS 45 2HE LYS 45 -2.568 0.773 14.532 500 1HZ LYS 45 2HZ LYS 45 -4.132 -1.707 14.971 501 2HZ LYS 45 3HZ LYS 45 -4.558 -0.220 15.514 502 3HZ LYS 45 1HZ LYS 45 -4.488 -0.517 13.903 503 QB LYS 45 QB LYS 45 -0.565 -1.437 11.599 504 QG LYS 45 QG LYS 45 -2.895 -0.873 12.212 505 QD LYS 45 QD LYS 45 -1.236 -1.393 13.988 506 QE LYS 45 QE LYS 45 -2.395 0.177 15.162 507 QZ LYS 45 QZ LYS 45 -4.392 -0.815 14.796 508 H GLU 46 H GLU 46 0.119 -3.449 9.350 509 HA GLU 46 HA GLU 46 2.072 -1.837 8.223 510 1HB GLU 46 1HB GLU 46 1.834 -4.354 9.167 511 2HB GLU 46 2HB GLU 46 1.654 -4.770 7.482 512 1HG GLU 46 1HG GLU 46 3.897 -2.946 8.190 513 2HG GLU 46 2HG GLU 46 4.002 -4.555 8.874 514 QB GLU 46 QB GLU 46 1.744 -4.562 8.324 515 QG GLU 46 QG GLU 46 3.949 -3.751 8.532 516 H ILE 47 H ILE 47 -0.465 -3.838 6.759 517 HA ILE 47 HA ILE 47 -0.101 -3.092 4.019 518 HB ILE 47 HB ILE 47 -2.492 -4.041 5.618 519 1HG1 ILE 47 1HG1 ILE 47 -0.860 -5.163 3.286 520 2HG1 ILE 47 2HG1 ILE 47 -0.752 -5.652 4.976 521 1HG2 ILE 47 3HG2 ILE 47 -2.580 -3.237 2.683 522 2HG2 ILE 47 1HG2 ILE 47 -3.871 -4.097 3.559 523 3HG2 ILE 47 2HG2 ILE 47 -3.475 -2.459 4.004 524 1HD1 ILE 47 3HD1 ILE 47 -3.226 -6.300 4.813 525 2HD1 ILE 47 1HD1 ILE 47 -3.043 -6.134 3.054 526 3HD1 ILE 47 2HD1 ILE 47 -2.065 -7.321 3.917 527 QG1 ILE 47 QG1 ILE 47 -0.806 -5.407 4.131 528 QG2 ILE 47 QG2 ILE 47 -3.309 -3.265 3.415 529 QD1 ILE 47 QD1 ILE 47 -2.778 -6.585 3.928 530 H ALA 48 H ALA 48 -2.114 -1.534 6.615 531 HA ALA 48 HA ALA 48 -3.254 0.401 4.973 532 1HB ALA 48 2HB ALA 48 -4.074 -0.188 7.213 533 2HB ALA 48 3HB ALA 48 -2.660 0.609 7.945 534 3HB ALA 48 1HB ALA 48 -3.842 1.556 7.029 535 QB ALA 48 QB ALA 48 -3.525 0.659 7.395 536 H GLU 49 H GLU 49 -0.100 0.364 6.541 537 HA GLU 49 HA GLU 49 0.550 3.150 6.180 538 1HB GLU 49 1HB GLU 49 1.652 1.301 7.670 539 2HB GLU 49 2HB GLU 49 2.616 0.936 6.231 540 1HG GLU 49 1HG GLU 49 3.288 3.368 6.163 541 2HG GLU 49 2HG GLU 49 2.363 3.631 7.650 542 QB GLU 49 QB GLU 49 2.134 1.118 6.950 543 QG GLU 49 QG GLU 49 2.826 3.499 6.906 544 H ALA 50 H ALA 50 1.186 0.202 4.224 545 HA ALA 50 HA ALA 50 2.452 1.642 2.025 546 1HB ALA 50 2HB ALA 50 2.875 -0.734 2.472 547 2HB ALA 50 3HB ALA 50 1.174 -1.125 2.151 548 3HB ALA 50 1HB ALA 50 2.201 -0.499 0.848 549 QB ALA 50 QB ALA 50 2.083 -0.786 1.824 550 H TYR 51 H TYR 51 -0.803 0.673 2.916 551 HA TYR 51 HA TYR 51 -2.211 0.902 0.481 552 1HB TYR 51 1HB TYR 51 -2.838 -0.052 2.859 553 2HB TYR 51 2HB TYR 51 -3.375 1.582 3.209 554 HD1 TYR 51 1HD TYR 51 -3.821 -1.455 1.221 555 HD2 TYR 51 2HD TYR 51 -5.559 2.310 2.400 556 HE1 TYR 51 1HE TYR 51 -6.011 -2.248 0.473 557 HE2 TYR 51 2HE TYR 51 -7.773 1.541 1.614 558 HH TYR 51 HH TYR 51 -8.235 -1.620 0.002 559 QB TYR 51 QB TYR 51 -3.107 0.765 3.034 560 QG TYR 51 QD TYR 51 -4.690 0.428 1.811 561 QZ TYR 51 QE TYR 51 -6.892 -0.353 1.044 562 QR TYR 51 QR TYR 51 -5.791 0.037 1.427 563 H ASP 52 H ASP 52 -1.705 3.211 3.184 564 HA ASP 52 HA ASP 52 -3.207 5.342 2.170 565 1HB ASP 52 1HB ASP 52 -2.359 5.285 4.443 566 2HB ASP 52 2HB ASP 52 -0.679 5.408 3.881 567 QB ASP 52 QB ASP 52 -1.519 5.347 4.162 568 H VAL 53 H VAL 53 0.218 4.568 1.841 569 HA VAL 53 HA VAL 53 0.969 6.763 0.222 570 HB VAL 53 HB VAL 53 2.119 3.938 0.510 571 1HG1 VAL 53 2HG1 VAL 53 3.354 6.465 -0.641 572 2HG1 VAL 53 3HG1 VAL 53 4.227 4.933 -0.326 573 3HG1 VAL 53 1HG1 VAL 53 2.946 4.987 -1.538 574 1HG2 VAL 53 2HG2 VAL 53 2.019 5.535 2.601 575 2HG2 VAL 53 3HG2 VAL 53 3.494 4.663 2.201 576 3HG2 VAL 53 1HG2 VAL 53 3.336 6.372 1.762 577 QG1 VAL 53 QG1 VAL 53 3.509 5.462 -0.835 578 QG2 VAL 53 QG2 VAL 53 2.949 5.523 2.188 579 QQG VAL 53 QQG VAL 53 3.229 5.493 0.676 580 H LEU 54 H LEU 54 0.324 3.321 -0.737 581 HA LEU 54 HA LEU 54 0.174 4.023 -3.559 582 1HB LEU 54 1HB LEU 54 -0.105 1.422 -2.026 583 2HB LEU 54 2HB LEU 54 -0.289 1.681 -3.737 584 HG LEU 54 HG LEU 54 2.032 2.600 -3.889 585 1HD1 LEU 54 1HD1 LEU 54 2.528 2.771 -1.446 586 2HD1 LEU 54 2HD1 LEU 54 2.347 1.021 -1.309 587 3HD1 LEU 54 3HD1 LEU 54 3.661 1.715 -2.291 588 1HD2 LEU 54 2HD2 LEU 54 1.304 0.388 -4.762 589 2HD2 LEU 54 3HD2 LEU 54 2.974 0.372 -4.196 590 3HD2 LEU 54 1HD2 LEU 54 1.686 -0.352 -3.198 591 QB LEU 54 QB LEU 54 -0.197 1.551 -2.882 592 QD1 LEU 54 QD1 LEU 54 2.845 1.836 -1.682 593 QD2 LEU 54 QD2 LEU 54 1.988 0.136 -4.052 594 QQD LEU 54 QQD LEU 54 2.417 0.986 -2.867 595 H SER 55 H SER 55 -1.633 5.510 -2.092 596 HA SER 55 HA SER 55 -3.706 5.067 -3.967 597 1HB SER 55 1HB SER 55 -5.638 5.200 -2.464 598 2HB SER 55 2HB SER 55 -4.708 3.716 -2.269 599 HG SER 55 HG SER 55 -3.786 4.469 -0.424 600 QB SER 55 QB SER 55 -5.173 4.458 -2.367 601 H ASP 56 H ASP 56 -2.247 7.184 -1.374 602 HA ASP 56 HA ASP 56 -3.960 9.382 -2.413 603 1HB ASP 56 1HB ASP 56 -4.206 8.840 -0.079 604 2HB ASP 56 2HB ASP 56 -2.482 8.997 0.192 605 QB ASP 56 QB ASP 56 -3.344 8.918 0.056 606 HA PRO 57 HA PRO 57 -0.065 11.068 -4.023 607 1HB PRO 57 1HB PRO 57 -0.990 13.197 -5.415 608 2HB PRO 57 2HB PRO 57 -1.362 11.535 -5.910 609 1HG PRO 57 1HG PRO 57 -3.102 13.353 -4.218 610 2HG PRO 57 2HG PRO 57 -3.555 12.478 -5.716 611 1HD PRO 57 1HD PRO 57 -4.062 11.427 -3.266 612 2HD PRO 57 2HD PRO 57 -3.544 10.381 -4.605 613 QB PRO 57 QB PRO 57 -1.176 12.366 -5.663 614 QG PRO 57 QG PRO 57 -3.328 12.916 -4.967 615 QD PRO 57 QD PRO 57 -3.803 10.904 -3.935 616 H ARG 58 H ARG 58 -0.517 11.459 -1.291 617 HA ARG 58 HA ARG 58 0.845 14.095 -1.050 618 1HB ARG 58 1HB ARG 58 -0.997 12.944 1.097 619 2HB ARG 58 2HB ARG 58 0.168 14.230 1.310 620 1HG ARG 58 1HG ARG 58 -1.748 15.411 1.052 621 2HG ARG 58 2HG ARG 58 -1.029 15.508 -0.560 622 1HD ARG 58 1HD ARG 58 -2.553 13.548 -1.197 623 2HD ARG 58 2HD ARG 58 -3.321 13.738 0.374 624 HE ARG 58 HE ARG 58 -3.513 16.242 -0.612 625 1HH1 ARG 58 2HH2 ARG 58 -4.637 13.032 -1.618 626 2HH1 ARG 58 1HH2 ARG 58 -5.651 13.601 -2.910 627 1HH2 ARG 58 2HH1 ARG 58 -4.950 17.049 -2.256 628 2HH2 ARG 58 1HH1 ARG 58 -5.853 15.941 -3.247 629 QB ARG 58 QB ARG 58 -0.414 13.587 1.204 630 QG ARG 58 QG ARG 58 -1.389 15.459 0.246 631 QD ARG 58 QD ARG 58 -2.937 13.643 -0.411 632 QH1 ARG 58 QH2 ARG 58 -5.144 13.317 -2.264 633 QH2 ARG 58 QH1 ARG 58 -5.402 16.495 -2.752 634 H LYS 59 H LYS 59 0.414 10.833 0.664 635 HA LYS 59 HA LYS 59 3.197 11.083 1.471 636 1HB LYS 59 1HB LYS 59 1.280 9.445 2.346 637 2HB LYS 59 2HB LYS 59 1.974 8.345 1.181 638 1HG LYS 59 1HG LYS 59 3.194 9.611 3.612 639 2HG LYS 59 2HG LYS 59 2.859 7.934 3.371 640 1HD LYS 59 1HD LYS 59 5.111 7.854 3.126 641 2HD LYS 59 2HD LYS 59 4.731 8.208 1.455 642 1HE LYS 59 1HE LYS 59 6.546 9.639 2.151 643 2HE LYS 59 2HE LYS 59 5.138 10.663 1.936 644 1HZ LYS 59 2HZ LYS 59 6.005 9.661 4.608 645 2HZ LYS 59 3HZ LYS 59 6.472 11.067 3.983 646 3HZ LYS 59 1HZ LYS 59 4.895 10.825 4.299 647 QB LYS 59 QB LYS 59 1.627 8.895 1.763 648 QG LYS 59 QG LYS 59 3.027 8.772 3.492 649 QD LYS 59 QD LYS 59 4.921 8.031 2.290 650 QE LYS 59 QE LYS 59 5.842 10.151 2.044 651 QZ LYS 59 QZ LYS 59 5.791 10.518 4.297 652 H ARG 60 H ARG 60 1.544 9.277 -1.282 653 HA ARG 60 HA ARG 60 3.937 8.239 -2.142 654 1HB ARG 60 1HB ARG 60 1.316 7.971 -2.912 655 2HB ARG 60 2HB ARG 60 1.917 8.902 -4.275 656 1HG ARG 60 1HG ARG 60 3.701 7.330 -4.689 657 2HG ARG 60 2HG ARG 60 3.396 6.537 -3.131 658 1HD ARG 60 1HD ARG 60 1.516 5.440 -3.865 659 2HD ARG 60 2HD ARG 60 1.317 6.469 -5.293 660 HE ARG 60 HE ARG 60 3.638 4.590 -4.876 661 1HH1 ARG 60 2HH2 ARG 60 1.059 5.535 -7.126 662 2HH1 ARG 60 1HH2 ARG 60 2.026 5.347 -8.528 663 1HH2 ARG 60 2HH1 ARG 60 4.887 4.233 -6.691 664 2HH2 ARG 60 1HH1 ARG 60 4.329 4.763 -8.251 665 QB ARG 60 QB ARG 60 1.616 8.437 -3.593 666 QG ARG 60 QG ARG 60 3.548 6.934 -3.910 667 QD ARG 60 QD ARG 60 1.416 5.954 -4.579 668 QH1 ARG 60 QH2 ARG 60 1.543 5.441 -7.827 669 QH2 ARG 60 QH1 ARG 60 4.608 4.498 -7.471 670 H GLU 61 H GLU 61 3.010 11.582 -2.473 671 HA GLU 61 HA GLU 61 3.921 12.201 -4.962 672 1HB GLU 61 1HB GLU 61 2.835 13.621 -3.123 673 2HB GLU 61 2HB GLU 61 4.427 13.869 -2.429 674 1HG GLU 61 1HG GLU 61 3.593 14.651 -5.259 675 2HG GLU 61 2HG GLU 61 3.482 15.719 -3.871 676 QB GLU 61 QB GLU 61 3.631 13.745 -2.776 677 QG GLU 61 QG GLU 61 3.538 15.185 -4.565 678 H ILE 62 H ILE 62 5.999 11.946 -2.041 679 HA ILE 62 HA ILE 62 8.377 12.652 -3.476 680 HB ILE 62 HB ILE 62 8.053 11.176 -0.824 681 1HG1 ILE 62 1HG1 ILE 62 8.244 14.171 -1.405 682 2HG1 ILE 62 2HG1 ILE 62 6.811 13.326 -0.850 683 1HG2 ILE 62 1HG2 ILE 62 10.379 11.062 -1.751 684 2HG2 ILE 62 2HG2 ILE 62 10.413 12.841 -1.796 685 3HG2 ILE 62 3HG2 ILE 62 10.296 11.969 -0.252 686 1HD1 ILE 62 2HD1 ILE 62 7.977 12.709 1.242 687 2HD1 ILE 62 3HD1 ILE 62 9.342 13.751 0.756 688 3HD1 ILE 62 1HD1 ILE 62 7.738 14.455 1.018 689 QG1 ILE 62 QG1 ILE 62 7.527 13.748 -1.127 690 QG2 ILE 62 QG2 ILE 62 10.363 11.957 -1.266 691 QD1 ILE 62 QD1 ILE 62 8.352 13.639 1.005 692 H PHE 63 H PHE 63 6.746 9.599 -2.943 693 HA PHE 63 HA PHE 63 9.001 7.864 -3.654 694 1HB PHE 63 1HB PHE 63 6.706 7.574 -2.135 695 2HB PHE 63 2HB PHE 63 6.162 6.872 -3.636 696 HD1 PHE 63 2HD PHE 63 8.363 5.255 -4.646 697 HD2 PHE 63 1HD PHE 63 7.171 5.955 -0.557 698 HE1 PHE 63 2HE PHE 63 9.358 3.111 -3.991 699 HE2 PHE 63 1HE PHE 63 8.201 3.786 0.093 700 1HZ PHE 63 HZ PHE 63 9.278 2.357 -1.619 701 QB PHE 63 QB PHE 63 6.434 7.223 -2.886 702 QG PHE 63 QD PHE 63 7.767 5.605 -2.602 703 QZ PHE 63 QE PHE 63 8.779 3.448 -1.949 704 QZ PHE 63 QR PHE 63 8.474 4.093 -2.144 705 H ASP 64 H ASP 64 6.156 9.310 -5.146 706 HA ASP 64 HA ASP 64 6.089 7.867 -7.631 707 1HB ASP 64 1HB ASP 64 4.152 9.093 -6.505 708 2HB ASP 64 2HB ASP 64 4.973 10.596 -6.819 709 QB ASP 64 QB ASP 64 4.562 9.844 -6.662 710 H ARG 65 H ARG 65 7.220 11.077 -6.544 711 HA ARG 65 HA ARG 65 8.270 12.039 -8.975 712 1HB ARG 65 1HB ARG 65 7.791 13.582 -7.285 713 2HB ARG 65 2HB ARG 65 8.615 12.628 -6.076 714 1HG ARG 65 1HG ARG 65 9.784 14.661 -6.446 715 2HG ARG 65 2HG ARG 65 10.811 13.291 -6.854 716 1HD ARG 65 1HD ARG 65 10.781 13.741 -9.115 717 2HD ARG 65 2HD ARG 65 9.181 14.508 -9.069 718 HE ARG 65 HE ARG 65 10.696 16.224 -7.600 719 1HH1 ARG 65 2HH2 ARG 65 11.334 14.818 -10.807 720 2HH1 ARG 65 1HH2 ARG 65 11.610 16.342 -11.577 721 1HH2 ARG 65 2HH1 ARG 65 11.294 18.231 -8.555 722 2HH2 ARG 65 1HH1 ARG 65 11.868 18.282 -10.184 723 QB ARG 65 QB ARG 65 8.203 13.105 -6.680 724 QG ARG 65 QG ARG 65 10.297 13.976 -6.650 725 QD ARG 65 QD ARG 65 9.981 14.125 -9.092 726 QH1 ARG 65 QH2 ARG 65 11.472 15.580 -11.192 727 QH2 ARG 65 QH1 ARG 65 11.581 18.257 -9.369 728 H TYR 66 H TYR 66 9.997 10.599 -6.179 729 HA TYR 66 HA TYR 66 12.460 10.512 -7.821 730 1HB TYR 66 1HB TYR 66 11.967 10.018 -4.878 731 2HB TYR 66 2HB TYR 66 13.542 9.954 -5.656 732 HD1 TYR 66 1HD TYR 66 14.123 12.145 -7.169 733 HD2 TYR 66 2HD TYR 66 11.423 12.047 -3.803 734 HE1 TYR 66 1HE TYR 66 14.535 14.547 -6.764 735 HE2 TYR 66 2HE TYR 66 11.843 14.422 -3.386 736 HH TYR 66 HH TYR 66 13.415 16.133 -3.808 737 QB TYR 66 QB TYR 66 12.755 9.986 -5.267 738 QG TYR 66 QD TYR 66 12.773 12.096 -5.486 739 QZ TYR 66 QE TYR 66 13.189 14.484 -5.075 740 QR TYR 66 QR TYR 66 12.981 13.290 -5.281 741 H GLY 67 H GLY 67 10.783 8.217 -5.600 742 1HA GLY 67 1HA GLY 67 10.788 5.759 -6.280 743 2HA GLY 67 2HA GLY 67 12.492 6.045 -6.671 744 QA GLY 67 QA GLY 67 11.640 5.902 -6.476 745 H GLU 68 H GLU 68 12.787 4.337 -4.865 746 HA GLU 68 HA GLU 68 12.184 5.107 -2.173 747 1HB GLU 68 1HB GLU 68 13.515 3.345 -1.421 748 2HB GLU 68 2HB GLU 68 12.547 2.750 -2.738 749 1HG GLU 68 1HG GLU 68 15.398 3.639 -3.316 750 2HG GLU 68 2HG GLU 68 15.169 2.217 -2.322 751 QB GLU 68 QB GLU 68 13.031 3.048 -2.079 752 QG GLU 68 QG GLU 68 15.284 2.928 -2.819 753 H GLU 69 H GLU 69 14.815 6.015 -4.358 754 HA GLU 69 HA GLU 69 16.599 6.924 -2.341 755 1HB GLU 69 1HB GLU 69 17.689 8.212 -3.982 756 2HB GLU 69 2HB GLU 69 17.187 6.715 -4.763 757 1HG GLU 69 1HG GLU 69 15.361 7.855 -5.921 758 2HG GLU 69 2HG GLU 69 15.618 9.331 -4.983 759 QB GLU 69 QB GLU 69 17.438 7.464 -4.373 760 QG GLU 69 QG GLU 69 15.489 8.593 -5.452 761 H GLY 70 H GLY 70 13.535 8.211 -3.329 762 1HA GLY 70 1HA GLY 70 13.954 10.908 -2.200 763 2HA GLY 70 2HA GLY 70 12.460 10.235 -2.854 764 QA GLY 70 QA GLY 70 13.207 10.572 -2.527 765 H LEU 71 H LEU 71 11.764 8.131 -1.643 766 HA LEU 71 HA LEU 71 11.259 9.174 1.052 767 1HB LEU 71 1HB LEU 71 9.450 8.580 -0.575 768 2HB LEU 71 2HB LEU 71 9.833 6.887 -0.336 769 HG LEU 71 HG LEU 71 7.863 7.988 0.922 770 1HD1 LEU 71 3HD1 LEU 71 8.792 5.730 1.464 771 2HD1 LEU 71 1HD1 LEU 71 9.755 6.504 2.742 772 3HD1 LEU 71 2HD1 LEU 71 7.981 6.569 2.792 773 1HD2 LEU 71 2HD2 LEU 71 9.026 9.993 1.797 774 2HD2 LEU 71 3HD2 LEU 71 8.299 9.034 3.095 775 3HD2 LEU 71 1HD2 LEU 71 10.033 8.963 2.831 776 QB LEU 71 QB LEU 71 9.641 7.734 -0.456 777 QD1 LEU 71 QD1 LEU 71 8.843 6.268 2.333 778 QD2 LEU 71 QD2 LEU 71 9.119 9.330 2.574 779 QQD LEU 71 QQD LEU 71 8.981 7.799 2.453 780 H LYS 72 H LYS 72 13.535 8.694 1.459 781 HA LYS 72 HA LYS 72 14.036 5.884 2.307 782 1HB LYS 72 1HB LYS 72 15.552 7.431 0.653 783 2HB LYS 72 2HB LYS 72 16.326 7.775 2.201 784 1HG LYS 72 1HG LYS 72 16.677 5.360 2.589 785 2HG LYS 72 2HG LYS 72 15.686 4.962 1.175 786 1HD LYS 72 1HD LYS 72 17.913 4.677 0.456 787 2HD LYS 72 2HD LYS 72 17.343 6.188 -0.266 788 1HE LYS 72 1HE LYS 72 18.421 7.307 1.861 789 2HE LYS 72 2HE LYS 72 19.274 5.761 2.044 790 1HZ LYS 72 2HZ LYS 72 20.122 6.132 -0.262 791 2HZ LYS 72 3HZ LYS 72 19.347 7.585 -0.284 792 3HZ LYS 72 1HZ LYS 72 20.574 7.333 0.741 793 QB LYS 72 QB LYS 72 15.939 7.603 1.427 794 QG LYS 72 QG LYS 72 16.182 5.161 1.882 795 QD LYS 72 QD LYS 72 17.628 5.432 0.095 796 QE LYS 72 QE LYS 72 18.848 6.534 1.953 797 QZ LYS 72 QZ LYS 72 20.014 7.017 0.065 798 H GLY 73 H GLY 73 13.014 8.753 3.628 799 1HA GLY 73 1HA GLY 73 12.440 8.809 5.976 800 2HA GLY 73 2HA GLY 73 14.000 8.047 6.348 801 QA GLY 73 QA GLY 73 13.220 8.428 6.162 802 H SER 74 H SER 74 13.111 10.533 7.395 803 HA SER 74 HA SER 74 13.528 12.676 7.662 804 1HB SER 74 1HB SER 74 15.747 13.438 7.669 805 2HB SER 74 2HB SER 74 15.744 11.747 8.156 806 HG SER 74 HG SER 74 16.145 11.463 5.717 807 QB SER 74 QB SER 74 15.745 12.592 7.913 808 H GLY 75 H GLY 75 14.638 14.763 6.415 809 1HA GLY 75 1HA GLY 75 14.698 16.122 4.585 810 2HA GLY 75 2HA GLY 75 13.995 14.860 3.567 811 QA GLY 75 QA GLY 75 14.347 15.491 4.076 812 H CYS 76 H CYS 76 12.968 17.159 3.029 813 HA CYS 76 HA CYS 76 10.360 17.403 4.377 814 1HB CYS 76 1HB CYS 76 12.221 19.753 3.763 815 2HB CYS 76 2HB CYS 76 10.644 19.824 4.546 816 HG CYS 76 HG CYS 76 12.594 20.309 6.226 817 QB CYS 76 QB CYS 76 11.432 19.788 4.155 No H/Q in entry = 817 Start of MODEL 3 1 H MET 0 H MET 0 16.163 4.140 4.003 2 HA MET 0 HA MET 0 14.389 3.569 2.488 3 1HB MET 0 1HB MET 0 15.979 3.489 0.524 4 2HB MET 0 2HB MET 0 16.420 1.850 1.011 5 1HG MET 0 1HG MET 0 13.953 1.253 0.860 6 2HG MET 0 2HG MET 0 13.656 2.868 0.213 7 1HE MET 0 3HE MET 0 14.442 3.709 -2.151 8 2HE MET 0 1HE MET 0 16.152 3.369 -1.817 9 3HE MET 0 2HE MET 0 15.397 2.750 -3.298 10 QB MET 0 QB MET 0 16.199 2.670 0.767 11 QG MET 0 QG MET 0 13.805 2.060 0.537 12 QE MET 0 QE MET 0 15.330 3.276 -2.422 13 H GLY 1 H GLY 1 15.877 0.355 2.307 14 1HA GLY 1 1HA GLY 1 15.705 -1.414 3.687 15 2HA GLY 1 2HA GLY 1 15.452 -0.308 5.036 16 QA GLY 1 QA GLY 1 15.579 -0.861 4.361 17 H LYS 2 H LYS 2 12.946 0.879 3.697 18 HA LYS 2 HA LYS 2 11.077 -1.331 4.423 19 1HB LYS 2 1HB LYS 2 10.834 1.716 4.345 20 2HB LYS 2 2HB LYS 2 9.471 0.641 4.509 21 1HG LYS 2 1HG LYS 2 9.841 1.172 6.697 22 2HG LYS 2 2HG LYS 2 10.626 -0.392 6.544 23 1HD LYS 2 1HD LYS 2 12.037 1.019 7.883 24 2HD LYS 2 2HD LYS 2 12.840 0.820 6.323 25 1HE LYS 2 1HE LYS 2 11.609 3.013 5.643 26 2HE LYS 2 2HE LYS 2 11.274 3.214 7.363 27 1HZ LYS 2 1HZ LYS 2 13.937 3.012 6.099 28 2HZ LYS 2 2HZ LYS 2 13.213 4.382 6.579 29 3HZ LYS 2 3HZ LYS 2 13.667 3.250 7.719 30 QB LYS 2 QB LYS 2 10.152 1.179 4.427 31 QG LYS 2 QG LYS 2 10.234 0.390 6.620 32 QD LYS 2 QD LYS 2 12.439 0.919 7.103 33 QE LYS 2 QE LYS 2 11.442 3.113 6.503 34 QZ LYS 2 QZ LYS 2 13.606 3.548 6.799 35 H ASP 3 H ASP 3 9.029 -1.358 3.176 36 HA ASP 3 HA ASP 3 8.992 0.056 0.646 37 1HB ASP 3 1HB ASP 3 9.981 -1.958 -0.186 38 2HB ASP 3 2HB ASP 3 8.980 -2.977 0.872 39 QB ASP 3 QB ASP 3 9.481 -2.468 0.343 40 H TYR 4 H TYR 4 6.797 -0.030 -0.234 41 HA TYR 4 HA TYR 4 4.635 -0.523 1.753 42 1HB TYR 4 1HB TYR 4 5.105 1.971 0.101 43 2HB TYR 4 2HB TYR 4 3.519 1.492 0.656 44 HD1 TYR 4 2HD TYR 4 6.865 1.528 2.564 45 HD2 TYR 4 1HD TYR 4 2.850 3.081 2.249 46 HE1 TYR 4 2HE TYR 4 7.125 2.645 4.703 47 HE2 TYR 4 1HE TYR 4 3.115 4.208 4.392 48 HH TYR 4 HH TYR 4 5.930 3.606 6.466 49 QB TYR 4 QB TYR 4 4.312 1.732 0.379 50 QG TYR 4 QD TYR 4 4.858 2.304 2.407 51 QZ TYR 4 QE TYR 4 5.120 3.426 4.548 52 QR TYR 4 QR TYR 4 4.989 2.865 3.477 53 H TYR 5 H TYR 5 5.834 -0.711 -1.649 54 HA TYR 5 HA TYR 5 3.239 -1.141 -2.867 55 1HB TYR 5 1HB TYR 5 6.141 -1.410 -3.721 56 2HB TYR 5 2HB TYR 5 4.861 -2.082 -4.687 57 HD1 TYR 5 1HD TYR 5 6.076 1.146 -3.250 58 HD2 TYR 5 2HD TYR 5 3.627 -0.786 -6.227 59 HE1 TYR 5 1HE TYR 5 5.801 3.310 -4.426 60 HE2 TYR 5 2HE TYR 5 3.337 1.386 -7.399 61 HH TYR 5 HH TYR 5 5.123 4.321 -6.404 62 QB TYR 5 QB TYR 5 5.501 -1.746 -4.204 63 QG TYR 5 QD TYR 5 4.851 0.180 -4.739 64 QZ TYR 5 QE TYR 5 4.569 2.348 -5.912 65 QR TYR 5 QR TYR 5 4.710 1.264 -5.325 66 H GLN 6 H GLN 6 6.024 -3.252 -2.135 67 HA GLN 6 HA GLN 6 4.601 -5.656 -2.895 68 1HB GLN 6 1HB GLN 6 7.139 -4.912 -3.190 69 2HB GLN 6 2HB GLN 6 7.298 -5.482 -1.529 70 1HG GLN 6 1HG GLN 6 6.570 -7.741 -2.246 71 2HG GLN 6 2HG GLN 6 6.261 -7.128 -3.872 72 1HE2 GLN 6 2HE2 GLN 6 10.278 -7.116 -2.833 73 2HE2 GLN 6 1HE2 GLN 6 9.114 -6.528 -1.648 74 QB GLN 6 QB GLN 6 7.218 -5.197 -2.360 75 QG GLN 6 QG GLN 6 6.415 -7.435 -3.059 76 QE2 GLN 6 QE2 GLN 6 9.696 -6.822 -2.240 77 H THR 7 H THR 7 5.372 -3.843 0.046 78 HA THR 7 HA THR 7 4.406 -5.708 1.958 79 HB THR 7 HB THR 7 4.147 -2.688 1.833 80 HG1 THR 7 1HG THR 7 6.137 -2.712 2.740 81 1HG2 THR 7 3HG2 THR 7 4.074 -4.517 4.270 82 2HG2 THR 7 1HG2 THR 7 4.082 -2.738 4.285 83 3HG2 THR 7 2HG2 THR 7 2.690 -3.605 3.627 84 QG2 THR 7 QG2 THR 7 3.615 -3.620 4.061 85 H LEU 8 H LEU 8 2.690 -3.951 -0.502 86 HA LEU 8 HA LEU 8 0.117 -5.156 0.389 87 1HB LEU 8 1HB LEU 8 0.388 -2.637 0.143 88 2HB LEU 8 2HB LEU 8 0.506 -2.899 -1.589 89 HG LEU 8 HG LEU 8 -1.796 -4.340 -0.501 90 1HD1 LEU 8 1HD1 LEU 8 -1.746 -2.642 1.293 91 2HD1 LEU 8 2HD1 LEU 8 -1.850 -1.361 0.076 92 3HD1 LEU 8 3HD1 LEU 8 -3.185 -2.520 0.266 93 1HD2 LEU 8 3HD2 LEU 8 -1.476 -3.596 -2.869 94 2HD2 LEU 8 1HD2 LEU 8 -3.014 -3.134 -2.171 95 3HD2 LEU 8 2HD2 LEU 8 -1.739 -1.920 -2.347 96 QB LEU 8 QB LEU 8 0.447 -2.768 -0.723 97 QD1 LEU 8 QD1 LEU 8 -2.260 -2.175 0.545 98 QD2 LEU 8 QD2 LEU 8 -2.076 -2.883 -2.463 99 QQD LEU 8 QQD LEU 8 -2.168 -2.529 -0.959 100 H GLY 9 H GLY 9 2.564 -6.280 -1.210 101 1HA GLY 9 1HA GLY 9 2.793 -7.994 -2.641 102 2HA GLY 9 2HA GLY 9 1.030 -8.102 -2.732 103 QA GLY 9 QA GLY 9 1.912 -8.048 -2.687 104 H LEU 10 H LEU 10 2.846 -5.164 -3.711 105 HA LEU 10 HA LEU 10 2.235 -5.714 -6.598 106 1HB LEU 10 1HB LEU 10 2.484 -3.137 -5.017 107 2HB LEU 10 2HB LEU 10 2.395 -3.192 -6.762 108 HG LEU 10 HG LEU 10 0.197 -4.617 -5.251 109 1HD1 LEU 10 2HD1 LEU 10 0.478 -1.603 -5.444 110 2HD1 LEU 10 3HD1 LEU 10 -1.017 -2.469 -5.001 111 3HD1 LEU 10 1HD1 LEU 10 0.426 -2.608 -3.981 112 1HD2 LEU 10 3HD2 LEU 10 0.294 -4.641 -7.724 113 2HD2 LEU 10 1HD2 LEU 10 -1.141 -3.786 -7.136 114 3HD2 LEU 10 2HD2 LEU 10 0.238 -2.866 -7.743 115 QB LEU 10 QB LEU 10 2.439 -3.164 -5.890 116 QD1 LEU 10 QD1 LEU 10 -0.038 -2.227 -4.808 117 QD2 LEU 10 QD2 LEU 10 -0.203 -3.764 -7.534 118 QQD LEU 10 QQD LEU 10 -0.120 -2.996 -6.171 119 H ALA 11 H ALA 11 3.926 -5.214 -8.089 120 HA ALA 11 HA ALA 11 6.660 -5.098 -7.016 121 1HB ALA 11 3HB ALA 11 5.506 -4.763 -9.813 122 2HB ALA 11 1HB ALA 11 7.233 -4.696 -9.445 123 3HB ALA 11 2HB ALA 11 6.329 -6.203 -9.165 124 QB ALA 11 QB ALA 11 6.356 -5.221 -9.474 125 H ARG 12 H ARG 12 8.048 -3.324 -7.328 126 HA ARG 12 HA ARG 12 6.998 -0.619 -7.342 127 1HB ARG 12 1HB ARG 12 9.763 -1.800 -7.831 128 2HB ARG 12 2HB ARG 12 9.399 -0.139 -8.292 129 1HG ARG 12 1HG ARG 12 10.276 0.136 -6.203 130 2HG ARG 12 2HG ARG 12 8.544 0.238 -5.909 131 1HD ARG 12 1HD ARG 12 8.607 -2.217 -5.235 132 2HD ARG 12 2HD ARG 12 10.366 -2.153 -5.345 133 HE ARG 12 HE ARG 12 8.705 -1.288 -3.199 134 1HH1 ARG 12 2HH2 ARG 12 11.747 -0.192 -4.751 135 2HH1 ARG 12 1HH2 ARG 12 12.065 0.960 -3.500 136 1HH2 ARG 12 2HH1 ARG 12 9.226 -0.018 -1.620 137 2HH2 ARG 12 1HH1 ARG 12 10.607 1.083 -1.589 138 QB ARG 12 QB ARG 12 9.581 -0.970 -8.061 139 QG ARG 12 QG ARG 12 9.410 0.187 -6.056 140 QD ARG 12 QD ARG 12 9.487 -2.185 -5.290 141 QH1 ARG 12 QH2 ARG 12 11.906 0.384 -4.126 142 QH2 ARG 12 QH1 ARG 12 9.917 0.533 -1.605 143 H GLY 13 H GLY 13 6.292 0.441 -8.930 144 1HA GLY 13 1HA GLY 13 6.363 1.343 -11.168 145 2HA GLY 13 2HA GLY 13 6.870 -0.229 -11.788 146 QA GLY 13 QA GLY 13 6.616 0.557 -11.478 147 H ALA 14 H ALA 14 4.295 -0.528 -9.504 148 HA ALA 14 HA ALA 14 2.471 -1.663 -11.294 149 1HB ALA 14 1HB ALA 14 2.030 -0.309 -8.595 150 2HB ALA 14 2HB ALA 14 0.883 -1.378 -9.407 151 3HB ALA 14 3HB ALA 14 2.445 -2.022 -8.875 152 QB ALA 14 QB ALA 14 1.786 -1.237 -8.959 153 H SER 15 H SER 15 0.362 -0.965 -11.971 154 HA SER 15 HA SER 15 0.141 1.973 -12.487 155 1HB SER 15 1HB SER 15 -1.485 1.451 -14.176 156 2HB SER 15 2HB SER 15 -0.002 0.554 -14.506 157 HG SER 15 HG SER 15 -2.248 -0.455 -14.586 158 QB SER 15 QB SER 15 -0.744 1.002 -14.341 159 H ASP 16 H ASP 16 -1.846 2.982 -12.118 160 HA ASP 16 HA ASP 16 -2.830 2.513 -9.591 161 1HB ASP 16 1HB ASP 16 -4.018 4.174 -11.807 162 2HB ASP 16 2HB ASP 16 -4.612 4.185 -10.141 163 QB ASP 16 QB ASP 16 -4.315 4.180 -10.974 164 H GLU 17 H GLU 17 -3.858 1.070 -12.550 165 HA GLU 17 HA GLU 17 -6.471 0.102 -11.785 166 1HB GLU 17 1HB GLU 17 -5.362 0.221 -14.130 167 2HB GLU 17 2HB GLU 17 -4.426 -1.187 -13.639 168 1HG GLU 17 1HG GLU 17 -6.216 -2.083 -14.865 169 2HG GLU 17 2HG GLU 17 -6.698 -2.359 -13.194 170 QB GLU 17 QB GLU 17 -4.894 -0.483 -13.885 171 QG GLU 17 QG GLU 17 -6.457 -2.221 -14.030 172 H GLU 18 H GLU 18 -3.133 -0.812 -11.142 173 HA GLU 18 HA GLU 18 -3.689 -3.545 -10.312 174 1HB GLU 18 1HB GLU 18 -1.523 -2.362 -11.543 175 2HB GLU 18 2HB GLU 18 -1.055 -2.242 -9.843 176 1HG GLU 18 1HG GLU 18 -1.718 -4.652 -9.544 177 2HG GLU 18 2HG GLU 18 -1.914 -4.766 -11.301 178 QB GLU 18 QB GLU 18 -1.289 -2.302 -10.693 179 QG GLU 18 QG GLU 18 -1.816 -4.709 -10.423 180 H ILE 19 H ILE 19 -2.732 -0.351 -9.117 181 HA ILE 19 HA ILE 19 -2.559 -0.969 -6.396 182 HB ILE 19 HB ILE 19 -3.754 1.598 -7.520 183 1HG1 ILE 19 1HG1 ILE 19 -1.562 1.372 -8.492 184 2HG1 ILE 19 2HG1 ILE 19 -1.619 2.678 -7.341 185 1HG2 ILE 19 1HG2 ILE 19 -2.623 0.948 -4.789 186 2HG2 ILE 19 2HG2 ILE 19 -2.987 2.594 -5.374 187 3HG2 ILE 19 3HG2 ILE 19 -4.280 1.423 -5.192 188 1HD1 ILE 19 2HD1 ILE 19 -0.350 1.247 -5.759 189 2HD1 ILE 19 3HD1 ILE 19 -0.313 -0.036 -7.004 190 3HD1 ILE 19 1HD1 ILE 19 0.488 1.521 -7.291 191 QG1 ILE 19 QG1 ILE 19 -1.590 2.025 -7.916 192 QG2 ILE 19 QG2 ILE 19 -3.297 1.655 -5.119 193 QD1 ILE 19 QD1 ILE 19 -0.058 0.911 -6.684 194 H LYS 20 H LYS 20 -5.422 0.339 -8.108 195 HA LYS 20 HA LYS 20 -7.270 0.077 -6.021 196 1HB LYS 20 1HB LYS 20 -7.518 0.088 -9.037 197 2HB LYS 20 2HB LYS 20 -8.956 0.096 -7.997 198 1HG LYS 20 1HG LYS 20 -8.423 2.220 -7.094 199 2HG LYS 20 2HG LYS 20 -6.749 2.151 -7.621 200 1HD LYS 20 1HD LYS 20 -7.998 3.733 -8.931 201 2HD LYS 20 2HD LYS 20 -7.386 2.456 -9.963 202 1HE LYS 20 1HE LYS 20 -10.181 2.172 -8.855 203 2HE LYS 20 2HE LYS 20 -9.904 3.399 -10.083 204 1HZ LYS 20 3HZ LYS 20 -9.236 0.536 -10.497 205 2HZ LYS 20 1HZ LYS 20 -10.593 1.295 -11.007 206 3HZ LYS 20 2HZ LYS 20 -9.142 1.775 -11.597 207 QB LYS 20 QB LYS 20 -8.237 0.092 -8.517 208 QG LYS 20 QG LYS 20 -7.586 2.185 -7.358 209 QD LYS 20 QD LYS 20 -7.692 3.095 -9.447 210 QE LYS 20 QE LYS 20 -10.043 2.785 -9.469 211 QZ LYS 20 QZ LYS 20 -9.657 1.202 -11.033 212 H ARG 21 H ARG 21 -6.385 -2.349 -8.449 213 HA ARG 21 HA ARG 21 -8.231 -4.427 -7.733 214 1HB ARG 21 1HB ARG 21 -6.913 -4.462 -9.787 215 2HB ARG 21 2HB ARG 21 -5.425 -4.353 -8.902 216 1HG ARG 21 1HG ARG 21 -6.088 -6.684 -7.892 217 2HG ARG 21 2HG ARG 21 -7.185 -6.781 -9.272 218 1HD ARG 21 1HD ARG 21 -4.245 -6.027 -9.649 219 2HD ARG 21 2HD ARG 21 -4.691 -7.689 -9.349 220 HE ARG 21 HE ARG 21 -5.391 -7.957 -11.438 221 1HH1 ARG 21 2HH2 ARG 21 -5.352 -4.321 -11.186 222 2HH1 ARG 21 1HH2 ARG 21 -4.819 -4.246 -12.840 223 1HH2 ARG 21 2HH1 ARG 21 -4.931 -7.638 -13.529 224 2HH2 ARG 21 1HH1 ARG 21 -4.724 -6.013 -14.170 225 QB ARG 21 QB ARG 21 -6.169 -4.407 -9.344 226 QG ARG 21 QG ARG 21 -6.636 -6.732 -8.582 227 QD ARG 21 QD ARG 21 -4.468 -6.858 -9.499 228 QH1 ARG 21 QH2 ARG 21 -5.086 -4.283 -12.013 229 QH2 ARG 21 QH1 ARG 21 -4.827 -6.826 -13.849 230 H ALA 22 H ALA 22 -4.810 -4.071 -6.912 231 HA ALA 22 HA ALA 22 -4.597 -6.220 -5.132 232 1HB ALA 22 1HB ALA 22 -2.960 -3.670 -5.282 233 2HB ALA 22 2HB ALA 22 -2.505 -5.126 -4.375 234 3HB ALA 22 3HB ALA 22 -2.660 -5.208 -6.139 235 QB ALA 22 QB ALA 22 -2.708 -4.668 -5.266 236 H TYR 23 H TYR 23 -4.998 -2.705 -4.253 237 HA TYR 23 HA TYR 23 -5.053 -3.066 -1.485 238 1HB TYR 23 1HB TYR 23 -4.630 -0.974 -1.844 239 2HB TYR 23 2HB TYR 23 -5.132 -0.999 -3.485 240 HD1 TYR 23 1HD TYR 23 -7.859 -1.101 -3.723 241 HD2 TYR 23 2HD TYR 23 -5.428 0.994 -0.841 242 HE1 TYR 23 1HE TYR 23 -9.613 0.611 -3.506 243 HE2 TYR 23 2HE TYR 23 -7.141 2.762 -0.706 244 HH TYR 23 HH TYR 23 -9.043 3.605 -1.759 245 QB TYR 23 QB TYR 23 -4.881 -0.986 -2.664 246 QG TYR 23 QD TYR 23 -6.644 -0.053 -2.282 247 QZ TYR 23 QE TYR 23 -8.377 1.686 -2.106 248 QR TYR 23 QR TYR 23 -7.510 0.816 -2.194 249 H ARG 24 H ARG 24 -7.767 -3.217 -3.842 250 HA ARG 24 HA ARG 24 -9.719 -3.404 -1.753 251 1HB ARG 24 1HB ARG 24 -9.722 -4.128 -4.700 252 2HB ARG 24 2HB ARG 24 -11.039 -4.695 -3.659 253 1HG ARG 24 1HG ARG 24 -11.391 -2.412 -2.809 254 2HG ARG 24 2HG ARG 24 -10.147 -1.793 -3.901 255 1HD ARG 24 1HD ARG 24 -11.513 -2.200 -5.824 256 2HD ARG 24 2HD ARG 24 -12.589 -3.278 -4.913 257 HE ARG 24 HE ARG 24 -13.665 -1.551 -3.923 258 1HH1 ARG 24 2HH2 ARG 24 -11.026 -0.173 -5.853 259 2HH1 ARG 24 1HH2 ARG 24 -11.241 1.452 -5.298 260 1HH2 ARG 24 2HH1 ARG 24 -13.905 0.595 -3.090 261 2HH2 ARG 24 1HH1 ARG 24 -13.108 1.916 -3.897 262 QB ARG 24 QB ARG 24 -10.381 -4.412 -4.179 263 QG ARG 24 QG ARG 24 -10.769 -2.103 -3.355 264 QD ARG 24 QD ARG 24 -12.051 -2.739 -5.368 265 QH1 ARG 24 QH2 ARG 24 -11.133 0.640 -5.576 266 QH2 ARG 24 QH1 ARG 24 -13.507 1.255 -3.494 267 H ARG 25 H ARG 25 -7.907 -6.017 -3.424 268 HA ARG 25 HA ARG 25 -9.308 -7.996 -1.819 269 1HB ARG 25 1HB ARG 25 -8.043 -8.343 -4.118 270 2HB ARG 25 2HB ARG 25 -6.609 -8.522 -3.102 271 1HG ARG 25 1HG ARG 25 -7.397 -10.736 -3.335 272 2HG ARG 25 2HG ARG 25 -8.006 -10.266 -1.756 273 1HD ARG 25 1HD ARG 25 -9.886 -11.279 -2.749 274 2HD ARG 25 2HD ARG 25 -10.199 -9.575 -3.015 275 HE ARG 25 HE ARG 25 -9.916 -9.848 -5.276 276 1HH1 ARG 25 2HH2 ARG 25 -8.850 -12.876 -3.636 277 2HH1 ARG 25 1HH2 ARG 25 -8.491 -13.658 -5.147 278 1HH2 ARG 25 2HH1 ARG 25 -9.423 -11.060 -7.273 279 2HH2 ARG 25 1HH1 ARG 25 -8.774 -12.670 -7.091 280 QB ARG 25 QB ARG 25 -7.326 -8.432 -3.610 281 QG ARG 25 QG ARG 25 -7.702 -10.501 -2.545 282 QD ARG 25 QD ARG 25 -10.042 -10.427 -2.882 283 QH1 ARG 25 QH2 ARG 25 -8.671 -13.267 -4.391 284 QH2 ARG 25 QH1 ARG 25 -9.099 -11.865 -7.182 285 H GLN 26 H GLN 26 -6.165 -6.326 -1.501 286 HA GLN 26 HA GLN 26 -5.212 -7.891 0.667 287 1HB GLN 26 1HB GLN 26 -4.538 -5.170 -0.507 288 2HB GLN 26 2HB GLN 26 -3.776 -5.638 0.954 289 1HG GLN 26 1HG GLN 26 -3.749 -7.604 -1.356 290 2HG GLN 26 2HG GLN 26 -2.651 -6.241 -1.339 291 1HE2 GLN 26 2HE2 GLN 26 -1.913 -8.595 1.937 292 2HE2 GLN 26 1HE2 GLN 26 -3.529 -7.933 1.769 293 QB GLN 26 QB GLN 26 -4.157 -5.404 0.224 294 QG GLN 26 QG GLN 26 -3.200 -6.922 -1.347 295 QE2 GLN 26 QE2 GLN 26 -2.721 -8.264 1.853 296 H ALA 27 H ALA 27 -7.218 -4.905 0.629 297 HA ALA 27 HA ALA 27 -7.431 -4.675 3.485 298 1HB ALA 27 3HB ALA 27 -9.330 -3.980 1.199 299 2HB ALA 27 1HB ALA 27 -9.731 -3.725 2.911 300 3HB ALA 27 2HB ALA 27 -8.342 -2.903 2.215 301 QB ALA 27 QB ALA 27 -9.135 -3.536 2.108 302 H LEU 28 H LEU 28 -9.691 -6.217 1.128 303 HA LEU 28 HA LEU 28 -11.322 -7.349 3.045 304 1HB LEU 28 1HB LEU 28 -11.522 -7.094 0.433 305 2HB LEU 28 2HB LEU 28 -10.821 -8.701 0.385 306 HG LEU 28 HG LEU 28 -12.782 -9.452 1.885 307 1HD1 LEU 28 3HD1 LEU 28 -13.775 -6.655 1.136 308 2HD1 LEU 28 1HD1 LEU 28 -14.798 -7.937 1.800 309 3HD1 LEU 28 2HD1 LEU 28 -13.492 -7.261 2.780 310 1HD2 LEU 28 2HD2 LEU 28 -13.413 -8.296 -0.857 311 2HD2 LEU 28 3HD2 LEU 28 -12.723 -9.901 -0.520 312 3HD2 LEU 28 1HD2 LEU 28 -14.370 -9.522 0.005 313 QB LEU 28 QB LEU 28 -11.172 -7.897 0.409 314 QD1 LEU 28 QD1 LEU 28 -14.021 -7.285 1.905 315 QD2 LEU 28 QD2 LEU 28 -13.502 -9.240 -0.458 316 QQD LEU 28 QQD LEU 28 -13.762 -8.262 0.724 317 H ARG 29 H ARG 29 -8.178 -8.487 2.266 318 HA ARG 29 HA ARG 29 -8.448 -11.223 3.140 319 1HB ARG 29 1HB ARG 29 -6.578 -10.075 1.707 320 2HB ARG 29 2HB ARG 29 -5.899 -9.566 3.260 321 1HG ARG 29 1HG ARG 29 -6.081 -12.030 3.955 322 2HG ARG 29 2HG ARG 29 -6.492 -12.392 2.271 323 1HD ARG 29 1HD ARG 29 -3.960 -11.084 3.270 324 2HD ARG 29 2HD ARG 29 -4.104 -12.792 2.837 325 HE ARG 29 HE ARG 29 -4.843 -11.261 0.574 326 1HH1 ARG 29 2HH2 ARG 29 -1.970 -11.761 2.616 327 2HH1 ARG 29 1HH2 ARG 29 -0.849 -11.729 1.299 328 1HH2 ARG 29 2HH1 ARG 29 -3.384 -10.883 -1.083 329 2HH2 ARG 29 1HH1 ARG 29 -1.665 -11.088 -0.902 330 QB ARG 29 QB ARG 29 -6.239 -9.820 2.483 331 QG ARG 29 QG ARG 29 -6.286 -12.211 3.113 332 QD ARG 29 QD ARG 29 -4.032 -11.938 3.054 333 QH1 ARG 29 QH2 ARG 29 -1.409 -11.745 1.957 334 QH2 ARG 29 QH1 ARG 29 -2.524 -10.985 -0.992 335 H TYR 30 H TYR 30 -7.583 -8.170 4.904 336 HA TYR 30 HA TYR 30 -7.811 -9.722 7.452 337 1HB TYR 30 1HB TYR 30 -5.852 -7.467 7.174 338 2HB TYR 30 2HB TYR 30 -5.848 -8.797 8.301 339 HD1 TYR 30 2HD TYR 30 -5.309 -11.217 7.176 340 HD2 TYR 30 1HD TYR 30 -4.299 -7.378 5.500 341 HE1 TYR 30 2HE TYR 30 -3.342 -12.223 6.079 342 HE2 TYR 30 1HE TYR 30 -2.331 -8.357 4.405 343 HH TYR 30 HH TYR 30 -1.074 -10.261 4.067 344 QB TYR 30 QB TYR 30 -5.850 -8.132 7.737 345 QG TYR 30 QD TYR 30 -4.804 -9.297 6.338 346 QZ TYR 30 QE TYR 30 -2.836 -10.290 5.242 347 QR TYR 30 QR TYR 30 -3.820 -9.794 5.790 348 H HIS 31 H HIS 31 -9.124 -7.193 5.758 349 HA HIS 31 HA HIS 31 -9.148 -4.982 7.423 350 1HB HIS 31 1HB HIS 31 -9.831 -4.915 5.151 351 2HB HIS 31 2HB HIS 31 -11.096 -6.123 5.389 352 HD1 HIS 31 1HD HIS 31 -10.402 -2.379 5.640 353 HD2 HIS 31 2HD HIS 31 -13.466 -5.252 5.959 354 HE1 HIS 31 1HE HIS 31 -12.599 -1.100 5.647 355 QB HIS 31 QB HIS 31 -10.464 -5.519 5.270 356 HA PRO 32 HA PRO 32 -11.023 -6.586 10.967 357 1HB PRO 32 1HB PRO 32 -11.902 -4.329 12.313 358 2HB PRO 32 2HB PRO 32 -10.190 -4.802 12.140 359 1HG PRO 32 1HG PRO 32 -11.763 -2.840 10.439 360 2HG PRO 32 2HG PRO 32 -10.135 -2.616 11.165 361 1HD PRO 32 1HD PRO 32 -10.428 -3.348 8.584 362 2HD PRO 32 2HD PRO 32 -9.149 -4.093 9.600 363 QB PRO 32 QB PRO 32 -11.046 -4.565 12.226 364 QG PRO 32 QG PRO 32 -10.949 -2.728 10.802 365 QD PRO 32 QD PRO 32 -9.788 -3.721 9.092 366 H ASP 33 H ASP 33 -13.040 -4.605 8.864 367 HA ASP 33 HA ASP 33 -15.526 -5.404 10.158 368 1HB ASP 33 1HB ASP 33 -15.169 -3.206 8.940 369 2HB ASP 33 2HB ASP 33 -15.085 -4.134 7.451 370 QB ASP 33 QB ASP 33 -15.127 -3.670 8.196 371 H LYS 34 H LYS 34 -13.369 -7.286 8.506 372 HA LYS 34 HA LYS 34 -15.572 -8.949 7.407 373 1HB LYS 34 1HB LYS 34 -14.768 -7.681 5.444 374 2HB LYS 34 2HB LYS 34 -13.117 -7.958 5.925 375 1HG LYS 34 1HG LYS 34 -13.290 -9.369 4.158 376 2HG LYS 34 2HG LYS 34 -13.517 -10.493 5.464 377 1HD LYS 34 1HD LYS 34 -15.507 -9.348 3.506 378 2HD LYS 34 2HD LYS 34 -15.170 -11.040 3.826 379 1HE LYS 34 1HE LYS 34 -16.659 -9.111 5.676 380 2HE LYS 34 2HE LYS 34 -17.443 -10.201 4.547 381 1HZ LYS 34 3HZ LYS 34 -15.732 -11.112 6.783 382 2HZ LYS 34 1HZ LYS 34 -17.338 -10.954 6.870 383 3HZ LYS 34 2HZ LYS 34 -16.690 -12.063 5.825 384 QB LYS 34 QB LYS 34 -13.943 -7.820 5.684 385 QG LYS 34 QG LYS 34 -13.403 -9.931 4.811 386 QD LYS 34 QD LYS 34 -15.339 -10.194 3.666 387 QE LYS 34 QE LYS 34 -17.051 -9.656 5.111 388 QZ LYS 34 QZ LYS 34 -16.587 -11.376 6.493 389 H ASN 35 H ASN 35 -12.116 -8.834 8.581 390 HA ASN 35 HA ASN 35 -12.328 -11.660 9.274 391 1HB ASN 35 1HB ASN 35 -11.564 -11.664 6.828 392 2HB ASN 35 2HB ASN 35 -10.162 -10.724 7.331 393 1HD2 ASN 35 2HD2 ASN 35 -8.594 -13.883 7.635 394 2HD2 ASN 35 1HD2 ASN 35 -8.753 -12.430 6.664 395 QB ASN 35 QB ASN 35 -10.863 -11.194 7.080 396 QD2 ASN 35 QD2 ASN 35 -8.674 -13.157 7.149 397 H LYS 36 H LYS 36 -11.722 -11.370 11.347 398 HA LYS 36 HA LYS 36 -9.576 -9.470 12.055 399 1HB LYS 36 1HB LYS 36 -11.124 -11.345 13.793 400 2HB LYS 36 2HB LYS 36 -9.946 -10.178 14.355 401 1HG LYS 36 1HG LYS 36 -12.078 -9.320 14.832 402 2HG LYS 36 2HG LYS 36 -11.421 -8.325 13.532 403 1HD LYS 36 1HD LYS 36 -12.970 -9.198 11.953 404 2HD LYS 36 2HD LYS 36 -13.249 -10.661 12.901 405 1HE LYS 36 1HE LYS 36 -15.195 -9.218 12.926 406 2HE LYS 36 2HE LYS 36 -14.542 -9.467 14.549 407 1HZ LYS 36 2HZ LYS 36 -14.003 -7.068 12.915 408 2HZ LYS 36 3HZ LYS 36 -15.205 -7.184 14.033 409 3HZ LYS 36 1HZ LYS 36 -13.647 -7.287 14.529 410 QB LYS 36 QB LYS 36 -10.535 -10.761 14.074 411 QG LYS 36 QG LYS 36 -11.749 -8.823 14.182 412 QD LYS 36 QD LYS 36 -13.109 -9.930 12.427 413 QE LYS 36 QE LYS 36 -14.868 -9.343 13.738 414 QZ LYS 36 QZ LYS 36 -14.285 -7.180 13.826 415 H GLU 37 H GLU 37 -8.162 -10.749 10.500 416 HA GLU 37 HA GLU 37 -7.855 -13.512 10.860 417 1HB GLU 37 1HB GLU 37 -7.439 -11.969 8.825 418 2HB GLU 37 2HB GLU 37 -5.808 -11.854 9.387 419 1HG GLU 37 1HG GLU 37 -6.948 -14.632 9.186 420 2HG GLU 37 2HG GLU 37 -6.723 -13.746 7.686 421 QB GLU 37 QB GLU 37 -6.624 -11.912 9.106 422 QG GLU 37 QG GLU 37 -6.836 -14.189 8.436 423 HA PRO 38 HA PRO 38 -5.455 -13.060 14.539 424 1HB PRO 38 1HB PRO 38 -4.663 -15.650 15.068 425 2HB PRO 38 2HB PRO 38 -6.322 -15.016 15.273 426 1HG PRO 38 1HG PRO 38 -5.176 -16.566 12.923 427 2HG PRO 38 2HG PRO 38 -6.744 -16.823 13.759 428 1HD PRO 38 1HD PRO 38 -6.540 -15.430 11.424 429 2HD PRO 38 2HD PRO 38 -7.718 -14.964 12.692 430 QB PRO 38 QB PRO 38 -5.493 -15.333 15.170 431 QG PRO 38 QG PRO 38 -5.960 -16.695 13.341 432 QD PRO 38 QD PRO 38 -7.129 -15.197 12.058 433 H GLY 39 H GLY 39 -3.567 -12.086 14.669 434 1HA GLY 39 1HA GLY 39 -1.188 -11.975 14.756 435 2HA GLY 39 2HA GLY 39 -1.073 -13.304 13.611 436 QA GLY 39 QA GLY 39 -1.131 -12.639 14.184 437 H ALA 40 H ALA 40 -3.419 -11.642 12.105 438 HA ALA 40 HA ALA 40 -1.486 -10.292 10.369 439 1HB ALA 40 2HB ALA 40 -3.411 -11.775 9.546 440 2HB ALA 40 3HB ALA 40 -4.470 -10.407 10.026 441 3HB ALA 40 1HB ALA 40 -3.232 -10.178 8.791 442 QB ALA 40 QB ALA 40 -3.704 -10.787 9.454 443 H GLU 41 H GLU 41 -3.091 -9.293 13.181 444 HA GLU 41 HA GLU 41 -4.198 -6.800 12.446 445 1HB GLU 41 1HB GLU 41 -4.342 -7.927 14.694 446 2HB GLU 41 2HB GLU 41 -2.649 -7.503 14.969 447 1HG GLU 41 1HG GLU 41 -3.960 -5.909 16.141 448 2HG GLU 41 2HG GLU 41 -3.289 -5.067 14.747 449 QB GLU 41 QB GLU 41 -3.495 -7.715 14.831 450 QG GLU 41 QG GLU 41 -3.625 -5.488 15.444 451 H GLU 42 H GLU 42 -0.858 -7.688 13.298 452 HA GLU 42 HA GLU 42 0.294 -5.111 12.997 453 1HB GLU 42 1HB GLU 42 1.299 -7.197 14.122 454 2HB GLU 42 2HB GLU 42 1.619 -7.831 12.520 455 1HG GLU 42 1HG GLU 42 3.616 -6.772 13.459 456 2HG GLU 42 2HG GLU 42 3.077 -5.914 12.019 457 QB GLU 42 QB GLU 42 1.459 -7.514 13.321 458 QG GLU 42 QG GLU 42 3.346 -6.343 12.739 459 H LYS 43 H LYS 43 -0.060 -7.817 10.763 460 HA LYS 43 HA LYS 43 1.214 -6.833 8.510 461 1HB LYS 43 1HB LYS 43 0.000 -9.142 9.063 462 2HB LYS 43 2HB LYS 43 -1.396 -8.396 8.323 463 1HG LYS 43 1HG LYS 43 -0.427 -9.571 6.574 464 2HG LYS 43 2HG LYS 43 0.021 -7.893 6.291 465 1HD LYS 43 1HD LYS 43 1.950 -9.227 5.850 466 2HD LYS 43 2HD LYS 43 2.280 -8.449 7.409 467 1HE LYS 43 1HE LYS 43 1.477 -10.526 8.575 468 2HE LYS 43 2HE LYS 43 1.199 -11.281 6.999 469 1HZ LYS 43 3HZ LYS 43 3.629 -10.982 6.604 470 2HZ LYS 43 1HZ LYS 43 3.773 -10.472 8.176 471 3HZ LYS 43 2HZ LYS 43 3.248 -11.974 7.878 472 QB LYS 43 QB LYS 43 -0.698 -8.769 8.693 473 QG LYS 43 QG LYS 43 -0.203 -8.732 6.432 474 QD LYS 43 QD LYS 43 2.115 -8.838 6.629 475 QE LYS 43 QE LYS 43 1.338 -10.903 7.787 476 QZ LYS 43 QZ LYS 43 3.550 -11.142 7.553 477 H PHE 44 H PHE 44 -2.156 -6.573 9.443 478 HA PHE 44 HA PHE 44 -3.138 -4.999 7.348 479 1HB PHE 44 1HB PHE 44 -4.535 -6.321 8.912 480 2HB PHE 44 2HB PHE 44 -4.206 -5.170 10.188 481 HD1 PHE 44 1HD PHE 44 -5.440 -5.183 6.611 482 HD2 PHE 44 2HD PHE 44 -5.732 -3.393 10.526 483 HE1 PHE 44 1HE PHE 44 -7.204 -3.650 5.781 484 HE2 PHE 44 2HE PHE 44 -7.509 -1.881 9.691 485 1HZ PHE 44 HZ PHE 44 -8.229 -1.985 7.314 486 QB PHE 44 QB PHE 44 -4.370 -5.745 9.550 487 QG PHE 44 QD PHE 44 -5.586 -4.288 8.569 488 QZ PHE 44 QE PHE 44 -7.356 -2.765 7.736 489 QZ PHE 44 QR PHE 44 -6.823 -3.218 7.985 490 H LYS 45 H LYS 45 -1.790 -4.078 10.494 491 HA LYS 45 HA LYS 45 -2.337 -1.280 10.391 492 1HB LYS 45 1HB LYS 45 -1.454 -1.486 12.424 493 2HB LYS 45 2HB LYS 45 -0.831 -3.057 12.056 494 1HG LYS 45 1HG LYS 45 0.927 -1.807 12.945 495 2HG LYS 45 2HG LYS 45 1.300 -2.111 11.266 496 1HD LYS 45 1HD LYS 45 1.949 0.152 12.102 497 2HD LYS 45 2HD LYS 45 0.909 0.212 10.686 498 1HE LYS 45 1HE LYS 45 -1.051 0.599 12.222 499 2HE LYS 45 2HE LYS 45 0.082 0.698 13.583 500 1HZ LYS 45 2HZ LYS 45 0.253 2.426 11.175 501 2HZ LYS 45 3HZ LYS 45 -0.598 2.839 12.498 502 3HZ LYS 45 1HZ LYS 45 1.030 2.644 12.618 503 QB LYS 45 QB LYS 45 -1.142 -2.271 12.240 504 QG LYS 45 QG LYS 45 1.113 -1.959 12.106 505 QD LYS 45 QD LYS 45 1.429 0.182 11.394 506 QE LYS 45 QE LYS 45 -0.485 0.648 12.902 507 QZ LYS 45 QZ LYS 45 0.229 2.636 12.097 508 H GLU 46 H GLU 46 0.529 -3.149 9.063 509 HA GLU 46 HA GLU 46 1.631 -0.997 7.784 510 1HB GLU 46 1HB GLU 46 2.082 -3.705 8.291 511 2HB GLU 46 2HB GLU 46 2.071 -3.558 6.516 512 1HG GLU 46 1HG GLU 46 3.527 -1.520 6.975 513 2HG GLU 46 2HG GLU 46 3.802 -2.169 8.576 514 QB GLU 46 QB GLU 46 2.076 -3.632 7.403 515 QG GLU 46 QG GLU 46 3.665 -1.844 7.775 516 H ILE 47 H ILE 47 -0.844 -3.365 6.732 517 HA ILE 47 HA ILE 47 -0.952 -2.726 3.975 518 HB ILE 47 HB ILE 47 -3.177 -3.573 5.848 519 1HG1 ILE 47 1HG1 ILE 47 -1.109 -5.089 5.068 520 2HG1 ILE 47 2HG1 ILE 47 -2.731 -5.740 5.278 521 1HG2 ILE 47 3HG2 ILE 47 -3.462 -3.204 2.860 522 2HG2 ILE 47 1HG2 ILE 47 -4.574 -4.143 3.879 523 3HG2 ILE 47 2HG2 ILE 47 -4.378 -2.416 4.147 524 1HD1 ILE 47 3HD1 ILE 47 -1.707 -4.758 2.607 525 2HD1 ILE 47 1HD1 ILE 47 -1.535 -6.431 3.194 526 3HD1 ILE 47 2HD1 ILE 47 -3.153 -5.749 2.978 527 QG1 ILE 47 QG1 ILE 47 -1.920 -5.414 5.173 528 QG2 ILE 47 QG2 ILE 47 -4.138 -3.254 3.629 529 QD1 ILE 47 QD1 ILE 47 -2.132 -5.646 2.926 530 H ALA 48 H ALA 48 -2.683 -1.154 6.753 531 HA ALA 48 HA ALA 48 -4.063 0.756 5.163 532 1HB ALA 48 1HB ALA 48 -3.195 0.879 8.057 533 2HB ALA 48 2HB ALA 48 -4.357 1.975 7.284 534 3HB ALA 48 3HB ALA 48 -4.728 0.246 7.415 535 QB ALA 48 QB ALA 48 -4.094 1.033 7.586 536 H GLU 49 H GLU 49 -0.755 0.801 6.491 537 HA GLU 49 HA GLU 49 -0.252 3.582 5.894 538 1HB GLU 49 1HB GLU 49 1.118 1.375 7.137 539 2HB GLU 49 2HB GLU 49 2.179 2.087 5.929 540 1HG GLU 49 1HG GLU 49 2.540 3.172 8.073 541 2HG GLU 49 2HG GLU 49 1.817 4.330 6.951 542 QB GLU 49 QB GLU 49 1.648 1.731 6.533 543 QG GLU 49 QG GLU 49 2.179 3.751 7.512 544 H ALA 50 H ALA 50 0.255 0.497 4.196 545 HA ALA 50 HA ALA 50 1.464 1.682 1.845 546 1HB ALA 50 3HB ALA 50 0.075 -0.991 2.278 547 2HB ALA 50 1HB ALA 50 0.992 -0.514 0.842 548 3HB ALA 50 2HB ALA 50 1.815 -0.663 2.406 549 QB ALA 50 QB ALA 50 0.961 -0.723 1.842 550 H TYR 51 H TYR 51 -1.834 0.970 2.892 551 HA TYR 51 HA TYR 51 -3.283 1.109 0.535 552 1HB TYR 51 1HB TYR 51 -3.824 0.679 3.140 553 2HB TYR 51 2HB TYR 51 -4.353 2.327 3.099 554 HD1 TYR 51 1HD TYR 51 -4.624 -1.022 1.532 555 HD2 TYR 51 2HD TYR 51 -6.656 2.664 2.492 556 HE1 TYR 51 1HE TYR 51 -6.776 -2.040 0.880 557 HE2 TYR 51 2HE TYR 51 -8.807 1.661 1.858 558 HH TYR 51 HH TYR 51 -9.869 -0.216 1.184 559 QB TYR 51 QB TYR 51 -4.089 1.503 3.119 560 QG TYR 51 QD TYR 51 -5.640 0.821 2.012 561 QZ TYR 51 QE TYR 51 -7.791 -0.189 1.369 562 QR TYR 51 QR TYR 51 -6.716 0.316 1.690 563 H ASP 52 H ASP 52 -2.438 3.687 2.867 564 HA ASP 52 HA ASP 52 -3.795 5.724 1.392 565 1HB ASP 52 1HB ASP 52 -3.058 5.605 3.912 566 2HB ASP 52 2HB ASP 52 -1.607 6.416 3.324 567 QB ASP 52 QB ASP 52 -2.332 6.011 3.618 568 H VAL 53 H VAL 53 -0.299 4.852 1.625 569 HA VAL 53 HA VAL 53 0.667 6.956 -0.051 570 HB VAL 53 HB VAL 53 1.679 4.165 0.651 571 1HG1 VAL 53 2HG1 VAL 53 3.170 6.210 -1.037 572 2HG1 VAL 53 3HG1 VAL 53 3.917 4.794 -0.249 573 3HG1 VAL 53 1HG1 VAL 53 2.712 4.555 -1.502 574 1HG2 VAL 53 1HG2 VAL 53 2.590 6.953 1.428 575 2HG2 VAL 53 2HG2 VAL 53 1.708 5.806 2.459 576 3HG2 VAL 53 3HG2 VAL 53 3.368 5.465 1.936 577 QG1 VAL 53 QG1 VAL 53 3.266 5.186 -0.929 578 QG2 VAL 53 QG2 VAL 53 2.555 6.075 1.941 579 QQG VAL 53 QQG VAL 53 2.911 5.631 0.506 580 H LEU 54 H LEU 54 -0.325 3.564 -0.829 581 HA LEU 54 HA LEU 54 0.414 3.779 -3.552 582 1HB LEU 54 1HB LEU 54 -1.365 1.869 -2.058 583 2HB LEU 54 2HB LEU 54 -0.853 1.706 -3.721 584 HG LEU 54 HG LEU 54 1.136 1.850 -1.425 585 1HD1 LEU 54 3HD1 LEU 54 -0.279 -0.154 -1.290 586 2HD1 LEU 54 1HD1 LEU 54 0.126 -0.548 -2.981 587 3HD1 LEU 54 2HD1 LEU 54 1.381 -0.556 -1.722 588 1HD2 LEU 54 1HD2 LEU 54 1.550 1.144 -4.348 589 2HD2 LEU 54 2HD2 LEU 54 2.209 2.544 -3.459 590 3HD2 LEU 54 3HD2 LEU 54 2.734 0.946 -3.040 591 QB LEU 54 QB LEU 54 -1.109 1.787 -2.890 592 QD1 LEU 54 QD1 LEU 54 0.409 -0.419 -1.998 593 QD2 LEU 54 QD2 LEU 54 2.164 1.544 -3.616 594 QQD LEU 54 QQD LEU 54 1.287 0.563 -2.807 595 H SER 55 H SER 55 -2.675 4.410 -1.824 596 HA SER 55 HA SER 55 -4.126 4.851 -4.248 597 1HB SER 55 1HB SER 55 -5.839 5.754 -2.828 598 2HB SER 55 2HB SER 55 -5.152 4.321 -2.066 599 HG SER 55 HG SER 55 -3.753 6.201 -0.999 600 QB SER 55 QB SER 55 -5.495 5.038 -2.447 601 H ASP 56 H ASP 56 -2.031 7.009 -2.311 602 HA ASP 56 HA ASP 56 -3.409 9.367 -3.314 603 1HB ASP 56 1HB ASP 56 -3.096 9.080 -0.969 604 2HB ASP 56 2HB ASP 56 -1.354 8.874 -1.160 605 QB ASP 56 QB ASP 56 -2.225 8.977 -1.065 606 HA PRO 57 HA PRO 57 -0.169 9.648 -6.433 607 1HB PRO 57 1HB PRO 57 -0.829 12.121 -7.519 608 2HB PRO 57 2HB PRO 57 -1.654 10.585 -7.916 609 1HG PRO 57 1HG PRO 57 -2.481 12.697 -5.913 610 2HG PRO 57 2HG PRO 57 -3.500 11.885 -7.135 611 1HD PRO 57 1HD PRO 57 -3.479 11.075 -4.563 612 2HD PRO 57 2HD PRO 57 -3.529 9.856 -5.872 613 QB PRO 57 QB PRO 57 -1.242 11.353 -7.718 614 QG PRO 57 QG PRO 57 -2.991 12.291 -6.524 615 QD PRO 57 QD PRO 57 -3.504 10.466 -5.217 616 H ARG 58 H ARG 58 -0.956 12.572 -4.510 617 HA ARG 58 HA ARG 58 1.572 13.820 -4.952 618 1HB ARG 58 1HB ARG 58 0.787 15.519 -3.667 619 2HB ARG 58 2HB ARG 58 -0.671 14.834 -4.379 620 1HG ARG 58 1HG ARG 58 -0.469 13.396 -1.990 621 2HG ARG 58 2HG ARG 58 0.273 14.942 -1.579 622 1HD ARG 58 1HD ARG 58 -1.867 16.012 -2.579 623 2HD ARG 58 2HD ARG 58 -2.490 14.365 -2.726 624 HE ARG 58 HE ARG 58 -2.888 14.290 -0.493 625 1HH1 ARG 58 2HH2 ARG 58 -0.861 17.169 -1.132 626 2HH1 ARG 58 1HH2 ARG 58 -0.942 17.737 0.507 627 1HH2 ARG 58 2HH1 ARG 58 -3.112 15.111 1.552 628 2HH2 ARG 58 1HH1 ARG 58 -2.399 16.600 2.083 629 QB ARG 58 QB ARG 58 0.058 15.177 -4.023 630 QG ARG 58 QG ARG 58 -0.098 14.169 -1.785 631 QD ARG 58 QD ARG 58 -2.178 15.189 -2.652 632 QH1 ARG 58 QH2 ARG 58 -0.901 17.453 -0.312 633 QH2 ARG 58 QH1 ARG 58 -2.755 15.855 1.818 634 H LYS 59 H LYS 59 0.761 11.258 -2.817 635 HA LYS 59 HA LYS 59 3.147 11.742 -1.140 636 1HB LYS 59 1HB LYS 59 1.038 11.258 -0.060 637 2HB LYS 59 2HB LYS 59 0.852 9.749 -0.973 638 1HG LYS 59 1HG LYS 59 2.569 8.662 0.141 639 2HG LYS 59 2HG LYS 59 3.387 10.155 0.607 640 1HD LYS 59 1HD LYS 59 2.325 9.006 2.536 641 2HD LYS 59 2HD LYS 59 1.810 10.681 2.279 642 1HE LYS 59 1HE LYS 59 -0.296 9.909 1.266 643 2HE LYS 59 2HE LYS 59 0.204 8.217 1.469 644 1HZ LYS 59 2HZ LYS 59 -0.036 10.111 3.708 645 2HZ LYS 59 3HZ LYS 59 -1.244 9.074 3.231 646 3HZ LYS 59 1HZ LYS 59 0.179 8.484 3.802 647 QB LYS 59 QB LYS 59 0.945 10.503 -0.516 648 QG LYS 59 QG LYS 59 2.978 9.408 0.374 649 QD LYS 59 QD LYS 59 2.068 9.844 2.407 650 QE LYS 59 QE LYS 59 -0.046 9.063 1.367 651 QZ LYS 59 QZ LYS 59 -0.367 9.223 3.580 652 H ARG 60 H ARG 60 1.769 9.348 -3.517 653 HA ARG 60 HA ARG 60 4.127 7.728 -3.436 654 1HB ARG 60 1HB ARG 60 1.663 7.804 -4.964 655 2HB ARG 60 2HB ARG 60 3.021 7.622 -6.092 656 1HG ARG 60 1HG ARG 60 3.857 5.688 -4.906 657 2HG ARG 60 2HG ARG 60 2.792 5.987 -3.539 658 1HD ARG 60 1HD ARG 60 1.937 4.180 -4.722 659 2HD ARG 60 2HD ARG 60 0.820 5.548 -4.909 660 HE ARG 60 HE ARG 60 2.842 4.682 -6.950 661 1HH1 ARG 60 2HH2 ARG 60 -0.664 5.163 -6.246 662 2HH1 ARG 60 1HH2 ARG 60 -1.069 5.036 -7.938 663 1HH2 ARG 60 2HH1 ARG 60 2.124 4.312 -9.122 664 2HH2 ARG 60 1HH1 ARG 60 0.434 4.551 -9.485 665 QB ARG 60 QB ARG 60 2.342 7.713 -5.528 666 QG ARG 60 QG ARG 60 3.324 5.837 -4.222 667 QD ARG 60 QD ARG 60 1.379 4.864 -4.815 668 QH1 ARG 60 QH2 ARG 60 -0.867 5.100 -7.092 669 QH2 ARG 60 QH1 ARG 60 1.279 4.432 -9.304 670 H GLU 61 H GLU 61 3.468 10.733 -5.094 671 HA GLU 61 HA GLU 61 5.747 11.090 -6.683 672 1HB GLU 61 1HB GLU 61 3.828 12.577 -6.553 673 2HB GLU 61 2HB GLU 61 4.060 12.830 -4.849 674 1HG GLU 61 1HG GLU 61 4.629 14.819 -5.992 675 2HG GLU 61 2HG GLU 61 6.057 14.146 -5.214 676 QB GLU 61 QB GLU 61 3.944 12.703 -5.701 677 QG GLU 61 QG GLU 61 5.343 14.483 -5.603 678 H ILE 62 H ILE 62 5.375 11.525 -3.156 679 HA ILE 62 HA ILE 62 8.089 12.460 -2.737 680 HB ILE 62 HB ILE 62 6.111 11.257 -0.735 681 1HG1 ILE 62 1HG1 ILE 62 6.583 14.172 -1.479 682 2HG1 ILE 62 2HG1 ILE 62 5.178 13.221 -1.923 683 1HG2 ILE 62 2HG2 ILE 62 8.477 11.326 0.097 684 2HG2 ILE 62 3HG2 ILE 62 8.454 13.092 -0.143 685 3HG2 ILE 62 1HG2 ILE 62 7.368 12.325 1.019 686 1HD1 ILE 62 3HD1 ILE 62 4.647 12.913 0.519 687 2HD1 ILE 62 1HD1 ILE 62 5.938 14.089 0.882 688 3HD1 ILE 62 2HD1 ILE 62 4.546 14.578 -0.084 689 QG1 ILE 62 QG1 ILE 62 5.881 13.697 -1.701 690 QG2 ILE 62 QG2 ILE 62 8.100 12.248 0.324 691 QD1 ILE 62 QD1 ILE 62 5.043 13.860 0.439 692 H PHE 63 H PHE 63 6.412 9.320 -2.376 693 HA PHE 63 HA PHE 63 8.677 7.878 -1.396 694 1HB PHE 63 1HB PHE 63 6.198 7.271 -1.270 695 2HB PHE 63 2HB PHE 63 6.257 6.871 -2.976 696 HD1 PHE 63 2HD PHE 63 7.679 4.895 -3.756 697 HD2 PHE 63 1HD PHE 63 6.899 5.723 0.411 698 HE1 PHE 63 2HE PHE 63 8.152 2.537 -3.200 699 HE2 PHE 63 1HE PHE 63 7.372 3.366 0.964 700 1HZ PHE 63 HZ PHE 63 7.949 1.747 -0.839 701 QB PHE 63 QB PHE 63 6.228 7.071 -2.123 702 QG PHE 63 QD PHE 63 7.289 5.309 -1.673 703 QZ PHE 63 QE PHE 63 7.762 2.952 -1.118 704 QZ PHE 63 QR PHE 63 7.610 3.654 -1.284 705 H ASP 64 H ASP 64 7.562 8.648 -4.684 706 HA ASP 64 HA ASP 64 9.375 6.989 -6.169 707 1HB ASP 64 1HB ASP 64 7.306 8.023 -7.081 708 2HB ASP 64 2HB ASP 64 8.009 9.622 -6.880 709 QB ASP 64 QB ASP 64 7.657 8.822 -6.980 710 H ARG 65 H ARG 65 9.405 10.477 -5.365 711 HA ARG 65 HA ARG 65 11.903 11.001 -6.526 712 1HB ARG 65 1HB ARG 65 10.447 12.756 -6.245 713 2HB ARG 65 2HB ARG 65 10.116 12.379 -4.580 714 1HG ARG 65 1HG ARG 65 12.134 13.268 -3.752 715 2HG ARG 65 2HG ARG 65 12.839 13.421 -5.357 716 1HD ARG 65 1HD ARG 65 10.358 14.939 -4.477 717 2HD ARG 65 2HD ARG 65 11.993 15.594 -4.397 718 HE ARG 65 HE ARG 65 10.470 14.877 -6.860 719 1HH1 ARG 65 2HH2 ARG 65 13.210 16.617 -5.472 720 2HH1 ARG 65 1HH2 ARG 65 13.886 17.058 -7.001 721 1HH2 ARG 65 2HH1 ARG 65 11.381 15.265 -8.830 722 2HH2 ARG 65 1HH1 ARG 65 12.843 16.204 -8.996 723 QB ARG 65 QB ARG 65 10.282 12.568 -5.412 724 QG ARG 65 QG ARG 65 12.486 13.344 -4.555 725 QD ARG 65 QD ARG 65 11.176 15.267 -4.437 726 QH1 ARG 65 QH2 ARG 65 13.548 16.838 -6.236 727 QH2 ARG 65 QH1 ARG 65 12.112 15.735 -8.913 728 H TYR 66 H TYR 66 11.028 10.366 -3.233 729 HA TYR 66 HA TYR 66 13.903 10.160 -2.385 730 1HB TYR 66 1HB TYR 66 11.447 10.477 -0.619 731 2HB TYR 66 2HB TYR 66 13.129 10.457 -0.095 732 HD1 TYR 66 1HD TYR 66 14.713 12.274 -1.223 733 HD2 TYR 66 2HD TYR 66 10.422 12.555 -1.047 734 HE1 TYR 66 1HE TYR 66 14.865 14.673 -1.745 735 HE2 TYR 66 2HE TYR 66 10.574 14.995 -1.507 736 HH TYR 66 HH TYR 66 13.679 16.618 -2.198 737 QB TYR 66 QB TYR 66 12.288 10.467 -0.357 738 QG TYR 66 QD TYR 66 12.568 12.414 -1.135 739 QZ TYR 66 QE TYR 66 12.719 14.834 -1.626 740 QR TYR 66 QR TYR 66 12.643 13.624 -1.381 741 H GLY 67 H GLY 67 10.927 8.648 -1.101 742 1HA GLY 67 1HA GLY 67 10.958 6.009 -1.340 743 2HA GLY 67 2HA GLY 67 12.496 6.272 -0.477 744 QA GLY 67 QA GLY 67 11.727 6.141 -0.908 745 H GLU 68 H GLU 68 11.214 5.065 1.267 746 HA GLU 68 HA GLU 68 9.016 6.162 2.637 747 1HB GLU 68 1HB GLU 68 9.935 3.898 2.939 748 2HB GLU 68 2HB GLU 68 11.371 4.537 3.721 749 1HG GLU 68 1HG GLU 68 8.531 4.984 4.755 750 2HG GLU 68 2HG GLU 68 9.492 3.586 5.200 751 QB GLU 68 QB GLU 68 10.653 4.218 3.330 752 QG GLU 68 QG GLU 68 9.011 4.285 4.978 753 H GLU 69 H GLU 69 12.522 6.850 3.022 754 HA GLU 69 HA GLU 69 12.366 8.358 5.351 755 1HB GLU 69 1HB GLU 69 14.256 8.376 2.936 756 2HB GLU 69 2HB GLU 69 14.506 9.442 4.306 757 1HG GLU 69 1HG GLU 69 15.849 7.577 4.774 758 2HG GLU 69 2HG GLU 69 14.470 7.462 5.871 759 QB GLU 69 QB GLU 69 14.381 8.909 3.621 760 QG GLU 69 QG GLU 69 15.160 7.519 5.323 761 H GLY 70 H GLY 70 11.403 9.299 2.121 762 1HA GLY 70 1HA GLY 70 11.707 12.175 2.402 763 2HA GLY 70 2HA GLY 70 10.777 11.322 1.181 764 QA GLY 70 QA GLY 70 11.242 11.749 1.792 765 H LEU 71 H LEU 71 9.292 9.789 3.273 766 HA LEU 71 HA LEU 71 7.021 11.618 3.326 767 1HB LEU 71 1HB LEU 71 6.833 9.256 2.643 768 2HB LEU 71 2HB LEU 71 7.453 8.727 4.201 769 HG LEU 71 HG LEU 71 5.463 9.466 5.341 770 1HD1 LEU 71 1HD1 LEU 71 4.460 10.376 2.619 771 2HD1 LEU 71 2HD1 LEU 71 3.504 10.314 4.124 772 3HD1 LEU 71 3HD1 LEU 71 4.832 11.449 3.963 773 1HD2 LEU 71 3HD2 LEU 71 5.512 7.214 4.353 774 2HD2 LEU 71 1HD2 LEU 71 3.873 7.868 4.366 775 3HD2 LEU 71 2HD2 LEU 71 4.807 7.843 2.851 776 QB LEU 71 QB LEU 71 7.143 8.991 3.422 777 QD1 LEU 71 QD1 LEU 71 4.265 10.713 3.569 778 QD2 LEU 71 QD2 LEU 71 4.731 7.641 3.856 779 QQD LEU 71 QQD LEU 71 4.498 9.177 3.712 780 H LYS 72 H LYS 72 5.788 11.950 5.381 781 HA LYS 72 HA LYS 72 7.161 11.440 7.910 782 1HB LYS 72 1HB LYS 72 7.859 13.733 7.160 783 2HB LYS 72 2HB LYS 72 6.164 14.229 7.166 784 1HG LYS 72 1HG LYS 72 6.003 13.762 9.557 785 2HG LYS 72 2HG LYS 72 7.648 13.122 9.593 786 1HD LYS 72 1HD LYS 72 7.430 15.907 8.539 787 2HD LYS 72 2HD LYS 72 6.856 15.701 10.185 788 1HE LYS 72 1HE LYS 72 9.161 16.339 10.300 789 2HE LYS 72 2HE LYS 72 9.009 14.675 10.864 790 1HZ LYS 72 1HZ LYS 72 9.895 15.415 8.130 791 2HZ LYS 72 2HZ LYS 72 10.896 15.056 9.402 792 3HZ LYS 72 3HZ LYS 72 9.904 13.915 8.788 793 QB LYS 72 QB LYS 72 7.011 13.981 7.163 794 QG LYS 72 QG LYS 72 6.825 13.442 9.575 795 QD LYS 72 QD LYS 72 7.143 15.804 9.362 796 QE LYS 72 QE LYS 72 9.085 15.507 10.582 797 QZ LYS 72 QZ LYS 72 10.232 14.795 8.774 798 H GLY 73 H GLY 73 5.396 9.757 7.451 799 1HA GLY 73 1HA GLY 73 2.612 10.734 7.572 800 2HA GLY 73 2HA GLY 73 3.203 9.086 7.282 801 QA GLY 73 QA GLY 73 2.907 9.910 7.427 802 H SER 74 H SER 74 3.128 11.650 9.694 803 HA SER 74 HA SER 74 2.789 11.635 11.968 804 1HB SER 74 1HB SER 74 2.097 9.056 11.815 805 2HB SER 74 2HB SER 74 3.739 8.808 12.406 806 HG SER 74 HG SER 74 3.195 10.253 14.158 807 QB SER 74 QB SER 74 2.918 8.932 12.110 808 H GLY 75 H GLY 75 4.495 13.101 11.781 809 1HA GLY 75 1HA GLY 75 7.285 12.203 11.729 810 2HA GLY 75 2HA GLY 75 6.678 13.844 12.039 811 QA GLY 75 QA GLY 75 6.981 13.024 11.884 812 H CYS 76 H CYS 76 6.708 10.591 13.463 813 HA CYS 76 HA CYS 76 6.460 9.761 15.523 814 1HB CYS 76 1HB CYS 76 8.587 11.172 15.986 815 2HB CYS 76 2HB CYS 76 7.486 12.334 16.769 816 HG CYS 76 HG CYS 76 6.548 10.803 18.549 817 QB CYS 76 QB CYS 76 8.037 11.753 16.378 No H/Q in entry = 817 Start of MODEL 4 1 H MET 0 H MET 0 11.108 -10.151 2.109 2 HA MET 0 HA MET 0 12.071 -7.973 3.837 3 1HB MET 0 1HB MET 0 14.295 -8.294 2.977 4 2HB MET 0 2HB MET 0 13.706 -9.806 3.669 5 1HG MET 0 1HG MET 0 13.789 -9.150 0.695 6 2HG MET 0 2HG MET 0 15.013 -10.056 1.569 7 1HE MET 0 3HE MET 0 13.584 -10.984 -1.105 8 2HE MET 0 1HE MET 0 14.812 -12.004 -0.314 9 3HE MET 0 2HE MET 0 13.250 -12.698 -0.783 10 QB MET 0 QB MET 0 14.001 -9.050 3.323 11 QG MET 0 QG MET 0 14.401 -9.603 1.132 12 QE MET 0 QE MET 0 13.882 -11.895 -0.734 13 H GLY 1 H GLY 1 13.205 -6.176 2.571 14 1HA GLY 1 1HA GLY 1 13.398 -4.737 0.800 15 2HA GLY 1 2HA GLY 1 12.547 -5.897 -0.232 16 QA GLY 1 QA GLY 1 12.972 -5.317 0.284 17 H LYS 2 H LYS 2 10.564 -5.477 2.384 18 HA LYS 2 HA LYS 2 8.583 -4.136 0.853 19 1HB LYS 2 1HB LYS 2 8.113 -5.829 2.557 20 2HB LYS 2 2HB LYS 2 8.815 -4.798 3.812 21 1HG LYS 2 1HG LYS 2 6.772 -3.278 2.456 22 2HG LYS 2 2HG LYS 2 6.135 -4.877 2.753 23 1HD LYS 2 1HD LYS 2 5.508 -3.756 4.685 24 2HD LYS 2 2HD LYS 2 6.994 -4.535 5.224 25 1HE LYS 2 1HE LYS 2 8.238 -2.402 4.807 26 2HE LYS 2 2HE LYS 2 6.732 -1.667 4.227 27 1HZ LYS 2 1HZ LYS 2 5.812 -2.187 6.461 28 2HZ LYS 2 2HZ LYS 2 7.352 -2.513 6.985 29 3HZ LYS 2 3HZ LYS 2 6.953 -1.025 6.412 30 QB LYS 2 QB LYS 2 8.464 -5.314 3.185 31 QG LYS 2 QG LYS 2 6.453 -4.077 2.605 32 QD LYS 2 QD LYS 2 6.251 -4.146 4.954 33 QE LYS 2 QE LYS 2 7.485 -2.035 4.517 34 QZ LYS 2 QZ LYS 2 6.706 -1.908 6.620 35 H ASP 3 H ASP 3 8.504 -1.815 0.435 36 HA ASP 3 HA ASP 3 8.881 -0.252 2.915 37 1HB ASP 3 1HB ASP 3 9.075 0.782 0.123 38 2HB ASP 3 2HB ASP 3 9.143 1.722 1.611 39 QB ASP 3 QB ASP 3 9.109 1.252 0.867 40 H TYR 4 H TYR 4 6.889 -0.511 -0.041 41 HA TYR 4 HA TYR 4 4.441 -0.321 1.550 42 1HB TYR 4 1HB TYR 4 4.967 2.016 -0.284 43 2HB TYR 4 2HB TYR 4 3.436 1.591 0.384 44 HD1 TYR 4 1HD TYR 4 3.631 1.174 3.144 45 HD2 TYR 4 2HD TYR 4 5.869 3.952 0.727 46 HE1 TYR 4 1HE TYR 4 3.998 2.557 5.117 47 HE2 TYR 4 2HE TYR 4 6.125 5.431 2.708 48 HH TYR 4 HH TYR 4 4.833 4.529 5.935 49 QB TYR 4 QB TYR 4 4.201 1.804 0.050 50 QG TYR 4 QD TYR 4 4.750 2.563 1.935 51 QZ TYR 4 QE TYR 4 5.061 3.994 3.913 52 QR TYR 4 QR TYR 4 4.906 3.278 2.924 53 H TYR 5 H TYR 5 5.933 -0.274 -1.828 54 HA TYR 5 HA TYR 5 3.437 -0.682 -3.161 55 1HB TYR 5 1HB TYR 5 6.362 -1.097 -3.848 56 2HB TYR 5 2HB TYR 5 5.141 -1.813 -4.841 57 HD1 TYR 5 2HD TYR 5 3.266 -0.297 -5.832 58 HD2 TYR 5 1HD TYR 5 7.031 1.155 -4.331 59 HE1 TYR 5 2HE TYR 5 3.010 1.756 -7.173 60 HE2 TYR 5 1HE TYR 5 6.823 3.180 -5.718 61 HH TYR 5 HH TYR 5 5.660 4.147 -7.482 62 QB TYR 5 QB TYR 5 5.751 -1.455 -4.345 63 QG TYR 5 QD TYR 5 5.149 0.429 -5.081 64 QZ TYR 5 QE TYR 5 4.917 2.468 -6.445 65 QR TYR 5 QR TYR 5 5.033 1.448 -5.763 66 H GLN 6 H GLN 6 5.993 -2.843 -2.011 67 HA GLN 6 HA GLN 6 4.649 -5.233 -2.584 68 1HB GLN 6 1HB GLN 6 6.388 -5.440 -0.297 69 2HB GLN 6 2HB GLN 6 6.397 -6.261 -1.781 70 1HG GLN 6 1HG GLN 6 7.516 -4.047 -2.690 71 2HG GLN 6 2HG GLN 6 7.704 -3.615 -0.985 72 1HE2 GLN 6 2HE2 GLN 6 10.623 -5.534 -2.669 73 2HE2 GLN 6 1HE2 GLN 6 9.748 -3.992 -2.873 74 QB GLN 6 QB GLN 6 6.392 -5.850 -1.039 75 QG GLN 6 QG GLN 6 7.610 -3.831 -1.837 76 QE2 GLN 6 QE2 GLN 6 10.185 -4.763 -2.771 77 H THR 7 H THR 7 4.610 -3.381 0.342 78 HA THR 7 HA THR 7 3.085 -5.106 1.981 79 HB THR 7 HB THR 7 2.550 -2.116 1.814 80 HG1 THR 7 1HG THR 7 4.372 -1.921 3.239 81 1HG2 THR 7 1HG2 THR 7 1.320 -3.502 3.510 82 2HG2 THR 7 2HG2 THR 7 2.865 -3.954 4.228 83 3HG2 THR 7 3HG2 THR 7 2.314 -2.263 4.241 84 QG2 THR 7 QG2 THR 7 2.166 -3.240 3.993 85 H LEU 8 H LEU 8 2.143 -3.118 -0.708 86 HA LEU 8 HA LEU 8 -0.720 -3.770 -0.483 87 1HB LEU 8 1HB LEU 8 0.494 -1.463 -0.988 88 2HB LEU 8 2HB LEU 8 0.524 -2.065 -2.618 89 HG LEU 8 HG LEU 8 -1.319 -0.553 -2.253 90 1HD1 LEU 8 1HD1 LEU 8 -1.725 -2.569 -3.723 91 2HD1 LEU 8 2HD1 LEU 8 -2.668 -3.250 -2.391 92 3HD1 LEU 8 3HD1 LEU 8 -3.136 -1.714 -3.152 93 1HD2 LEU 8 2HD2 LEU 8 -1.580 -0.918 0.203 94 2HD2 LEU 8 3HD2 LEU 8 -3.093 -0.849 -0.718 95 3HD2 LEU 8 1HD2 LEU 8 -2.473 -2.415 -0.157 96 QB LEU 8 QB LEU 8 0.509 -1.764 -1.803 97 QD1 LEU 8 QD1 LEU 8 -2.510 -2.511 -3.089 98 QD2 LEU 8 QD2 LEU 8 -2.382 -1.394 -0.224 99 QQD LEU 8 QQD LEU 8 -2.446 -1.953 -1.656 100 H GLY 9 H GLY 9 1.934 -5.356 -1.627 101 1HA GLY 9 1HA GLY 9 1.895 -7.420 -2.615 102 2HA GLY 9 2HA GLY 9 0.270 -7.117 -3.218 103 QA GLY 9 QA GLY 9 1.083 -7.268 -2.916 104 H LEU 10 H LEU 10 2.608 -4.637 -4.061 105 HA LEU 10 HA LEU 10 2.676 -5.728 -6.850 106 1HB LEU 10 1HB LEU 10 2.650 -2.820 -6.020 107 2HB LEU 10 2HB LEU 10 2.566 -3.458 -7.648 108 HG LEU 10 HG LEU 10 0.350 -4.605 -6.168 109 1HD1 LEU 10 1HD1 LEU 10 0.716 -1.586 -5.933 110 2HD1 LEU 10 2HD1 LEU 10 -0.818 -2.437 -5.683 111 3HD1 LEU 10 3HD1 LEU 10 0.574 -2.789 -4.630 112 1HD2 LEU 10 3HD2 LEU 10 0.523 -4.174 -8.646 113 2HD2 LEU 10 1HD2 LEU 10 -0.985 -3.674 -7.879 114 3HD2 LEU 10 2HD2 LEU 10 0.238 -2.460 -8.297 115 QB LEU 10 QB LEU 10 2.608 -3.139 -6.834 116 QD1 LEU 10 QD1 LEU 10 0.157 -2.271 -5.416 117 QD2 LEU 10 QD2 LEU 10 -0.075 -3.436 -8.274 118 QQD LEU 10 QQD LEU 10 0.041 -2.854 -6.845 119 H ALA 11 H ALA 11 4.338 -4.392 -8.141 120 HA ALA 11 HA ALA 11 6.922 -4.075 -6.698 121 1HB ALA 11 1HB ALA 11 6.351 -5.194 -9.489 122 2HB ALA 11 2HB ALA 11 7.962 -4.877 -8.826 123 3HB ALA 11 3HB ALA 11 6.932 -6.129 -8.096 124 QB ALA 11 QB ALA 11 7.082 -5.400 -8.804 125 H ARG 12 H ARG 12 8.389 -2.725 -8.153 126 HA ARG 12 HA ARG 12 7.244 -0.240 -9.149 127 1HB ARG 12 1HB ARG 12 9.905 -1.666 -9.661 128 2HB ARG 12 2HB ARG 12 9.429 -0.195 -10.480 129 1HG ARG 12 1HG ARG 12 10.718 0.676 -8.864 130 2HG ARG 12 2HG ARG 12 9.138 0.858 -8.116 131 1HD ARG 12 1HD ARG 12 9.608 -0.699 -6.460 132 2HD ARG 12 2HD ARG 12 10.602 -1.693 -7.523 133 HE ARG 12 HE ARG 12 11.491 0.824 -6.171 134 1HH1 ARG 12 2HH2 ARG 12 12.445 -2.256 -7.671 135 2HH1 ARG 12 1HH2 ARG 12 14.123 -1.826 -7.726 136 1HH2 ARG 12 2HH1 ARG 12 13.614 1.330 -6.168 137 2HH2 ARG 12 1HH1 ARG 12 14.826 0.306 -6.847 138 QB ARG 12 QB ARG 12 9.667 -0.930 -10.070 139 QG ARG 12 QG ARG 12 9.928 0.767 -8.490 140 QD ARG 12 QD ARG 12 10.105 -1.196 -6.991 141 QH1 ARG 12 QH2 ARG 12 13.284 -2.041 -7.698 142 QH2 ARG 12 QH1 ARG 12 14.220 0.818 -6.507 143 H GLY 13 H GLY 13 5.701 -0.387 -10.706 144 1HA GLY 13 1HA GLY 13 5.748 -1.246 -13.288 145 2HA GLY 13 2HA GLY 13 5.546 -2.753 -12.389 146 QA GLY 13 QA GLY 13 5.647 -1.999 -12.839 147 H ALA 14 H ALA 14 4.064 -1.284 -10.183 148 HA ALA 14 HA ALA 14 1.411 -1.710 -10.844 149 1HB ALA 14 3HB ALA 14 2.296 -1.374 -8.557 150 2HB ALA 14 1HB ALA 14 2.614 0.327 -8.921 151 3HB ALA 14 2HB ALA 14 0.941 -0.266 -8.883 152 QB ALA 14 QB ALA 14 1.950 -0.438 -8.787 153 H SER 15 H SER 15 0.067 -0.712 -12.310 154 HA SER 15 HA SER 15 0.322 2.216 -12.827 155 1HB SER 15 1HB SER 15 -1.518 1.806 -14.411 156 2HB SER 15 2HB SER 15 -0.188 0.696 -14.779 157 HG SER 15 HG SER 15 -1.595 -0.812 -14.561 158 QB SER 15 QB SER 15 -0.853 1.251 -14.595 159 H ASP 16 H ASP 16 -1.577 3.485 -12.424 160 HA ASP 16 HA ASP 16 -2.526 3.183 -9.910 161 1HB ASP 16 1HB ASP 16 -3.770 5.072 -10.188 162 2HB ASP 16 2HB ASP 16 -2.653 5.235 -11.546 163 QB ASP 16 QB ASP 16 -3.212 5.153 -10.867 164 H GLU 17 H GLU 17 -3.784 1.557 -12.768 165 HA GLU 17 HA GLU 17 -6.355 0.849 -11.654 166 1HB GLU 17 1HB GLU 17 -5.540 0.571 -14.169 167 2HB GLU 17 2HB GLU 17 -4.831 -0.938 -13.588 168 1HG GLU 17 1HG GLU 17 -7.308 -1.173 -12.474 169 2HG GLU 17 2HG GLU 17 -7.714 -0.101 -13.805 170 QB GLU 17 QB GLU 17 -5.185 -0.184 -13.878 171 QG GLU 17 QG GLU 17 -7.511 -0.637 -13.140 172 H GLU 18 H GLU 18 -3.031 -0.367 -11.370 173 HA GLU 18 HA GLU 18 -3.883 -2.970 -10.438 174 1HB GLU 18 1HB GLU 18 -1.643 -1.986 -11.796 175 2HB GLU 18 2HB GLU 18 -1.040 -2.195 -10.160 176 1HG GLU 18 1HG GLU 18 -2.207 -4.502 -10.168 177 2HG GLU 18 2HG GLU 18 -2.432 -4.289 -11.904 178 QB GLU 18 QB GLU 18 -1.342 -2.091 -10.978 179 QG GLU 18 QG GLU 18 -2.319 -4.395 -11.036 180 H ILE 19 H ILE 19 -2.679 0.108 -9.353 181 HA ILE 19 HA ILE 19 -2.174 -0.439 -6.660 182 HB ILE 19 HB ILE 19 -3.576 2.056 -7.696 183 1HG1 ILE 19 1HG1 ILE 19 -1.294 1.694 -8.693 184 2HG1 ILE 19 2HG1 ILE 19 -1.618 3.231 -7.922 185 1HG2 ILE 19 2HG2 ILE 19 -2.289 1.485 -5.022 186 2HG2 ILE 19 3HG2 ILE 19 -2.674 3.137 -5.600 187 3HG2 ILE 19 1HG2 ILE 19 -3.960 1.964 -5.348 188 1HD1 ILE 19 3HD1 ILE 19 -0.040 1.002 -6.628 189 2HD1 ILE 19 1HD1 ILE 19 0.648 2.334 -7.586 190 3HD1 ILE 19 2HD1 ILE 19 -0.214 2.712 -6.102 191 QG1 ILE 19 QG1 ILE 19 -1.456 2.462 -8.307 192 QG2 ILE 19 QG2 ILE 19 -2.974 2.195 -5.323 193 QD1 ILE 19 QD1 ILE 19 0.131 2.016 -6.772 194 H LYS 20 H LYS 20 -5.277 0.724 -8.069 195 HA LYS 20 HA LYS 20 -6.763 0.219 -5.679 196 1HB LYS 20 1HB LYS 20 -7.287 1.884 -7.506 197 2HB LYS 20 2HB LYS 20 -7.939 0.556 -8.452 198 1HG LYS 20 1HG LYS 20 -9.548 0.076 -6.532 199 2HG LYS 20 2HG LYS 20 -8.872 1.480 -5.695 200 1HD LYS 20 1HD LYS 20 -9.527 2.799 -7.866 201 2HD LYS 20 2HD LYS 20 -10.487 1.366 -8.265 202 1HE LYS 20 1HE LYS 20 -12.037 2.734 -7.192 203 2HE LYS 20 2HE LYS 20 -11.523 1.671 -5.876 204 1HZ LYS 20 1HZ LYS 20 -9.983 3.480 -5.194 205 2HZ LYS 20 2HZ LYS 20 -10.531 4.415 -6.413 206 3HZ LYS 20 3HZ LYS 20 -11.542 4.014 -5.217 207 QB LYS 20 QB LYS 20 -7.613 1.220 -7.979 208 QG LYS 20 QG LYS 20 -9.210 0.778 -6.113 209 QD LYS 20 QD LYS 20 -10.007 2.082 -8.065 210 QE LYS 20 QE LYS 20 -11.780 2.202 -6.534 211 QZ LYS 20 QZ LYS 20 -10.685 3.969 -5.608 212 H ARG 21 H ARG 21 -6.020 -1.859 -8.437 213 HA ARG 21 HA ARG 21 -8.010 -3.864 -7.946 214 1HB ARG 21 1HB ARG 21 -6.760 -3.703 -10.054 215 2HB ARG 21 2HB ARG 21 -5.259 -4.050 -9.233 216 1HG ARG 21 1HG ARG 21 -6.130 -6.004 -10.444 217 2HG ARG 21 2HG ARG 21 -5.927 -6.308 -8.722 218 1HD ARG 21 1HD ARG 21 -8.374 -5.996 -8.380 219 2HD ARG 21 2HD ARG 21 -8.572 -5.693 -10.114 220 HE ARG 21 HE ARG 21 -7.726 -7.950 -10.533 221 1HH1 ARG 21 2HH2 ARG 21 -9.292 -7.393 -7.352 222 2HH1 ARG 21 1HH2 ARG 21 -9.570 -9.061 -7.072 223 1HH2 ARG 21 2HH1 ARG 21 -7.969 -10.127 -10.060 224 2HH2 ARG 21 1HH1 ARG 21 -8.890 -10.652 -8.690 225 QB ARG 21 QB ARG 21 -6.009 -3.876 -9.643 226 QG ARG 21 QG ARG 21 -6.029 -6.156 -9.583 227 QD ARG 21 QD ARG 21 -8.473 -5.844 -9.247 228 QH1 ARG 21 QH2 ARG 21 -9.431 -8.227 -7.212 229 QH2 ARG 21 QH1 ARG 21 -8.429 -10.390 -9.375 230 H ALA 22 H ALA 22 -4.538 -3.835 -7.249 231 HA ALA 22 HA ALA 22 -4.524 -6.108 -5.589 232 1HB ALA 22 2HB ALA 22 -2.525 -5.184 -6.688 233 2HB ALA 22 3HB ALA 22 -2.583 -3.782 -5.592 234 3HB ALA 22 1HB ALA 22 -2.279 -5.412 -4.951 235 QB ALA 22 QB ALA 22 -2.462 -4.793 -5.743 236 H TYR 23 H TYR 23 -5.036 -2.629 -4.669 237 HA TYR 23 HA TYR 23 -4.938 -2.526 -2.010 238 1HB TYR 23 1HB TYR 23 -6.195 -1.213 -4.231 239 2HB TYR 23 2HB TYR 23 -7.536 -1.558 -3.270 240 HD1 TYR 23 2HD TYR 23 -4.197 0.108 -3.192 241 HD2 TYR 23 1HD TYR 23 -8.285 0.047 -1.789 242 HE1 TYR 23 2HE TYR 23 -3.879 2.340 -2.213 243 HE2 TYR 23 1HE TYR 23 -7.989 2.313 -0.857 244 HH TYR 23 HH TYR 23 -4.846 3.947 -0.777 245 QB TYR 23 QB TYR 23 -6.866 -1.386 -3.751 246 QG TYR 23 QD TYR 23 -6.241 0.077 -2.491 247 QZ TYR 23 QE TYR 23 -5.934 2.327 -1.535 248 QR TYR 23 QR TYR 23 -6.088 1.202 -2.013 249 H ARG 24 H ARG 24 -7.994 -3.480 -3.611 250 HA ARG 24 HA ARG 24 -9.147 -4.174 -1.069 251 1HB ARG 24 1HB ARG 24 -10.038 -4.558 -3.948 252 2HB ARG 24 2HB ARG 24 -11.012 -5.108 -2.573 253 1HG ARG 24 1HG ARG 24 -11.216 -2.899 -1.686 254 2HG ARG 24 2HG ARG 24 -9.985 -2.241 -2.774 255 1HD ARG 24 1HD ARG 24 -12.219 -1.563 -3.465 256 2HD ARG 24 2HD ARG 24 -11.438 -2.546 -4.702 257 HE ARG 24 HE ARG 24 -13.610 -3.367 -2.833 258 1HH1 ARG 24 2HH2 ARG 24 -11.889 -4.053 -5.894 259 2HH1 ARG 24 1HH2 ARG 24 -12.825 -5.483 -6.204 260 1HH2 ARG 24 2HH1 ARG 24 -14.824 -5.096 -3.302 261 2HH2 ARG 24 1HH1 ARG 24 -14.777 -5.895 -4.864 262 QB ARG 24 QB ARG 24 -10.525 -4.833 -3.260 263 QG ARG 24 QG ARG 24 -10.600 -2.570 -2.230 264 QD ARG 24 QD ARG 24 -11.828 -2.055 -4.084 265 QH1 ARG 24 QH2 ARG 24 -12.357 -4.768 -6.049 266 QH2 ARG 24 QH1 ARG 24 -14.801 -5.496 -4.083 267 H ARG 25 H ARG 25 -7.543 -6.089 -3.580 268 HA ARG 25 HA ARG 25 -8.175 -8.674 -2.554 269 1HB ARG 25 1HB ARG 25 -7.203 -8.237 -4.786 270 2HB ARG 25 2HB ARG 25 -5.751 -7.589 -4.048 271 1HG ARG 25 1HG ARG 25 -5.094 -9.630 -4.739 272 2HG ARG 25 2HG ARG 25 -5.354 -9.927 -3.031 273 1HD ARG 25 1HD ARG 25 -7.363 -10.569 -5.251 274 2HD ARG 25 2HD ARG 25 -6.142 -11.699 -4.647 275 HE ARG 25 HE ARG 25 -7.572 -10.813 -2.404 276 1HH1 ARG 25 2HH2 ARG 25 -7.994 -12.983 -5.192 277 2HH1 ARG 25 1HH2 ARG 25 -9.391 -13.767 -4.522 278 1HH2 ARG 25 2HH1 ARG 25 -9.118 -12.047 -1.442 279 2HH2 ARG 25 1HH1 ARG 25 -9.993 -13.298 -2.251 280 QB ARG 25 QB ARG 25 -6.477 -7.913 -4.417 281 QG ARG 25 QG ARG 25 -5.224 -9.779 -3.885 282 QD ARG 25 QD ARG 25 -6.753 -11.134 -4.949 283 QH1 ARG 25 QH2 ARG 25 -8.692 -13.375 -4.857 284 QH2 ARG 25 QH1 ARG 25 -9.556 -12.672 -1.847 285 H GLN 26 H GLN 26 -5.489 -6.356 -1.785 286 HA GLN 26 HA GLN 26 -4.252 -8.040 0.151 287 1HB GLN 26 1HB GLN 26 -3.808 -5.468 -1.143 288 2HB GLN 26 2HB GLN 26 -3.804 -5.125 0.508 289 1HG GLN 26 1HG GLN 26 -1.550 -5.716 -0.132 290 2HG GLN 26 2HG GLN 26 -2.133 -7.114 0.761 291 1HE2 GLN 26 2HE2 GLN 26 -2.082 -7.714 -3.335 292 2HE2 GLN 26 1HE2 GLN 26 -3.057 -6.439 -2.640 293 QB GLN 26 QB GLN 26 -3.806 -5.296 -0.318 294 QG GLN 26 QG GLN 26 -1.842 -6.415 0.315 295 QE2 GLN 26 QE2 GLN 26 -2.570 -7.076 -2.988 296 H ALA 27 H ALA 27 -6.482 -5.220 0.522 297 HA ALA 27 HA ALA 27 -6.722 -5.265 3.284 298 1HB ALA 27 3HB ALA 27 -8.871 -4.637 1.228 299 2HB ALA 27 1HB ALA 27 -8.955 -4.236 2.957 300 3HB ALA 27 2HB ALA 27 -7.700 -3.507 1.951 301 QB ALA 27 QB ALA 27 -8.509 -4.127 2.046 302 H LEU 28 H LEU 28 -8.729 -7.039 0.957 303 HA LEU 28 HA LEU 28 -10.379 -8.416 2.742 304 1HB LEU 28 1HB LEU 28 -10.730 -8.107 0.338 305 2HB LEU 28 2HB LEU 28 -9.348 -9.142 -0.018 306 HG LEU 28 HG LEU 28 -10.569 -11.094 0.912 307 1HD1 LEU 28 1HD1 LEU 28 -12.823 -9.059 1.300 308 2HD1 LEU 28 2HD1 LEU 28 -13.029 -10.820 1.361 309 3HD1 LEU 28 3HD1 LEU 28 -12.016 -10.011 2.569 310 1HD2 LEU 28 2HD2 LEU 28 -10.720 -10.376 -1.503 311 2HD2 LEU 28 3HD2 LEU 28 -12.136 -11.285 -0.943 312 3HD2 LEU 28 1HD2 LEU 28 -12.211 -9.515 -1.116 313 QB LEU 28 QB LEU 28 -10.039 -8.624 0.160 314 QD1 LEU 28 QD1 LEU 28 -12.623 -9.963 1.744 315 QD2 LEU 28 QD2 LEU 28 -11.689 -10.392 -1.187 316 QQD LEU 28 QQD LEU 28 -12.156 -10.178 0.278 317 H ARG 29 H ARG 29 -6.954 -9.131 1.916 318 HA ARG 29 HA ARG 29 -7.091 -11.853 2.746 319 1HB ARG 29 1HB ARG 29 -5.381 -10.817 1.176 320 2HB ARG 29 2HB ARG 29 -4.620 -10.059 2.566 321 1HG ARG 29 1HG ARG 29 -4.108 -12.209 3.569 322 2HG ARG 29 2HG ARG 29 -5.239 -13.014 2.474 323 1HD ARG 29 1HD ARG 29 -3.028 -13.578 1.774 324 2HD ARG 29 2HD ARG 29 -3.762 -12.535 0.556 325 HE ARG 29 HE ARG 29 -1.719 -11.725 2.589 326 1HH1 ARG 29 2HH2 ARG 29 -2.879 -11.467 -0.812 327 2HH1 ARG 29 1HH2 ARG 29 -1.900 -10.046 -1.086 328 1HH2 ARG 29 2HH1 ARG 29 -0.239 -10.135 1.981 329 2HH2 ARG 29 1HH1 ARG 29 -0.397 -9.316 0.435 330 QB ARG 29 QB ARG 29 -5.001 -10.438 1.871 331 QG ARG 29 QG ARG 29 -4.674 -12.611 3.021 332 QD ARG 29 QD ARG 29 -3.395 -13.057 1.165 333 QH1 ARG 29 QH2 ARG 29 -2.390 -10.756 -0.949 334 QH2 ARG 29 QH1 ARG 29 -0.318 -9.726 1.208 335 H TYR 30 H TYR 30 -6.432 -8.793 4.501 336 HA TYR 30 HA TYR 30 -5.948 -10.428 6.971 337 1HB TYR 30 1HB TYR 30 -5.104 -7.586 6.382 338 2HB TYR 30 2HB TYR 30 -4.695 -8.532 7.805 339 HD1 TYR 30 2HD TYR 30 -3.206 -10.597 7.574 340 HD2 TYR 30 1HD TYR 30 -4.012 -7.925 4.290 341 HE1 TYR 30 2HE TYR 30 -1.275 -11.535 6.332 342 HE2 TYR 30 1HE TYR 30 -2.060 -8.807 3.075 343 HH TYR 30 HH TYR 30 0.382 -10.161 4.437 344 QB TYR 30 QB TYR 30 -4.899 -8.059 7.094 345 QG TYR 30 QD TYR 30 -3.609 -9.261 5.932 346 QZ TYR 30 QE TYR 30 -1.667 -10.171 4.704 347 QR TYR 30 QR TYR 30 -2.638 -9.716 5.318 348 H HIS 31 H HIS 31 -8.338 -8.649 5.534 349 HA HIS 31 HA HIS 31 -9.266 -6.752 7.016 350 1HB HIS 31 1HB HIS 31 -10.255 -8.121 4.966 351 2HB HIS 31 2HB HIS 31 -11.353 -8.735 6.164 352 HD1 HIS 31 1HD HIS 31 -11.606 -5.640 7.670 353 HD2 HIS 31 2HD HIS 31 -12.034 -6.814 3.630 354 HE1 HIS 31 1HE HIS 31 -13.211 -4.016 6.623 355 QB HIS 31 QB HIS 31 -10.804 -8.428 5.565 356 HA PRO 32 HA PRO 32 -9.687 -8.876 10.960 357 1HB PRO 32 1HB PRO 32 -9.944 -6.751 12.659 358 2HB PRO 32 2HB PRO 32 -8.400 -7.251 11.906 359 1HG PRO 32 1HG PRO 32 -10.297 -5.085 10.949 360 2HG PRO 32 2HG PRO 32 -8.525 -4.971 11.182 361 1HD PRO 32 1HD PRO 32 -9.610 -5.460 8.750 362 2HD PRO 32 2HD PRO 32 -8.101 -6.283 9.268 363 QB PRO 32 QB PRO 32 -9.172 -7.001 12.283 364 QG PRO 32 QG PRO 32 -9.411 -5.028 11.065 365 QD PRO 32 QD PRO 32 -8.855 -5.872 9.009 366 H ASP 33 H ASP 33 -12.056 -7.132 9.277 367 HA ASP 33 HA ASP 33 -14.287 -7.596 11.096 368 1HB ASP 33 1HB ASP 33 -14.402 -5.716 9.582 369 2HB ASP 33 2HB ASP 33 -13.975 -6.723 8.196 370 QB ASP 33 QB ASP 33 -14.189 -6.219 8.889 371 H LYS 34 H LYS 34 -12.956 -9.054 8.128 372 HA LYS 34 HA LYS 34 -15.158 -11.078 8.190 373 1HB LYS 34 1HB LYS 34 -15.137 -9.896 6.150 374 2HB LYS 34 2HB LYS 34 -13.382 -10.042 5.964 375 1HG LYS 34 1HG LYS 34 -13.541 -12.450 5.565 376 2HG LYS 34 2HG LYS 34 -15.278 -12.409 5.924 377 1HD LYS 34 1HD LYS 34 -15.505 -10.777 3.974 378 2HD LYS 34 2HD LYS 34 -13.855 -11.204 3.520 379 1HE LYS 34 1HE LYS 34 -15.998 -13.310 4.009 380 2HE LYS 34 2HE LYS 34 -15.896 -12.487 2.453 381 1HZ LYS 34 1HZ LYS 34 -13.551 -13.900 3.546 382 2HZ LYS 34 2HZ LYS 34 -14.720 -14.669 2.691 383 3HZ LYS 34 3HZ LYS 34 -13.894 -13.463 1.981 384 QB LYS 34 QB LYS 34 -14.259 -9.969 6.057 385 QG LYS 34 QG LYS 34 -14.410 -12.430 5.745 386 QD LYS 34 QD LYS 34 -14.680 -10.991 3.747 387 QE LYS 34 QE LYS 34 -15.947 -12.899 3.231 388 QZ LYS 34 QZ LYS 34 -14.055 -14.011 2.739 389 H ASN 35 H ASN 35 -11.582 -10.822 8.265 390 HA ASN 35 HA ASN 35 -11.224 -13.732 8.110 391 1HB ASN 35 1HB ASN 35 -9.524 -11.778 7.422 392 2HB ASN 35 2HB ASN 35 -9.099 -11.821 9.134 393 1HD2 ASN 35 2HD2 ASN 35 -6.894 -14.206 7.189 394 2HD2 ASN 35 1HD2 ASN 35 -7.317 -12.558 6.866 395 QB ASN 35 QB ASN 35 -9.312 -11.799 8.278 396 QD2 ASN 35 QD2 ASN 35 -7.106 -13.382 7.027 397 H LYS 36 H LYS 36 -11.217 -11.071 10.440 398 HA LYS 36 HA LYS 36 -10.916 -10.837 12.590 399 1HB LYS 36 1HB LYS 36 -12.674 -13.238 12.580 400 2HB LYS 36 2HB LYS 36 -12.208 -12.451 14.104 401 1HG LYS 36 1HG LYS 36 -13.104 -10.316 13.307 402 2HG LYS 36 2HG LYS 36 -13.494 -11.037 11.746 403 1HD LYS 36 1HD LYS 36 -15.501 -10.861 12.784 404 2HD LYS 36 2HD LYS 36 -15.124 -12.563 13.043 405 1HE LYS 36 1HE LYS 36 -14.472 -10.416 15.098 406 2HE LYS 36 2HE LYS 36 -16.113 -11.038 14.945 407 1HZ LYS 36 3HZ LYS 36 -15.318 -13.236 15.393 408 2HZ LYS 36 1HZ LYS 36 -13.760 -12.708 15.596 409 3HZ LYS 36 2HZ LYS 36 -14.940 -12.229 16.619 410 QB LYS 36 QB LYS 36 -12.441 -12.845 13.342 411 QG LYS 36 QG LYS 36 -13.299 -10.676 12.526 412 QD LYS 36 QD LYS 36 -15.312 -11.712 12.913 413 QE LYS 36 QE LYS 36 -15.293 -10.727 15.022 414 QZ LYS 36 QZ LYS 36 -14.673 -12.724 15.869 415 H GLU 37 H GLU 37 -8.863 -12.486 11.086 416 HA GLU 37 HA GLU 37 -7.741 -14.422 12.687 417 1HB GLU 37 1HB GLU 37 -7.210 -14.191 10.394 418 2HB GLU 37 2HB GLU 37 -6.613 -12.548 10.601 419 1HG GLU 37 1HG GLU 37 -4.722 -13.455 11.968 420 2HG GLU 37 2HG GLU 37 -5.413 -15.075 11.786 421 QB GLU 37 QB GLU 37 -6.911 -13.370 10.497 422 QG GLU 37 QG GLU 37 -5.067 -14.265 11.877 423 HA PRO 38 HA PRO 38 -6.242 -11.839 16.078 424 1HB PRO 38 1HB PRO 38 -4.263 -13.383 17.170 425 2HB PRO 38 2HB PRO 38 -6.007 -13.757 17.349 426 1HG PRO 38 1HG PRO 38 -4.075 -14.883 15.285 427 2HG PRO 38 2HG PRO 38 -5.172 -15.792 16.363 428 1HD PRO 38 1HD PRO 38 -5.919 -15.250 13.850 429 2HD PRO 38 2HD PRO 38 -7.105 -15.041 15.170 430 QB PRO 38 QB PRO 38 -5.135 -13.570 17.259 431 QG PRO 38 QG PRO 38 -4.624 -15.338 15.824 432 QD PRO 38 QD PRO 38 -6.512 -15.146 14.510 433 H GLY 39 H GLY 39 -4.780 -10.169 16.188 434 1HA GLY 39 1HA GLY 39 -2.991 -8.856 15.753 435 2HA GLY 39 2HA GLY 39 -2.089 -10.293 15.263 436 QA GLY 39 QA GLY 39 -2.540 -9.575 15.508 437 H ALA 40 H ALA 40 -4.586 -10.526 13.149 438 HA ALA 40 HA ALA 40 -3.135 -9.437 10.924 439 1HB ALA 40 1HB ALA 40 -4.744 -11.277 10.748 440 2HB ALA 40 2HB ALA 40 -6.086 -10.157 11.130 441 3HB ALA 40 3HB ALA 40 -5.136 -9.954 9.648 442 QB ALA 40 QB ALA 40 -5.322 -10.463 10.509 443 H GLU 41 H GLU 41 -5.327 -7.858 13.230 444 HA GLU 41 HA GLU 41 -5.968 -5.672 11.503 445 1HB GLU 41 1HB GLU 41 -7.229 -6.078 13.560 446 2HB GLU 41 2HB GLU 41 -5.799 -5.699 14.540 447 1HG GLU 41 1HG GLU 41 -5.808 -3.414 13.902 448 2HG GLU 41 2HG GLU 41 -6.771 -3.727 12.456 449 QB GLU 41 QB GLU 41 -6.514 -5.889 14.050 450 QG GLU 41 QG GLU 41 -6.290 -3.571 13.179 451 H GLU 42 H GLU 42 -3.079 -6.401 13.458 452 HA GLU 42 HA GLU 42 -1.896 -3.766 13.269 453 1HB GLU 42 1HB GLU 42 -1.076 -5.537 14.823 454 2HB GLU 42 2HB GLU 42 -0.645 -6.519 13.433 455 1HG GLU 42 1HG GLU 42 0.797 -4.256 12.833 456 2HG GLU 42 2HG GLU 42 0.789 -4.171 14.584 457 QB GLU 42 QB GLU 42 -0.861 -6.028 14.128 458 QG GLU 42 QG GLU 42 0.793 -4.213 13.709 459 H LYS 43 H LYS 43 -1.680 -6.764 11.393 460 HA LYS 43 HA LYS 43 0.028 -5.875 9.384 461 1HB LYS 43 1HB LYS 43 -1.615 -8.195 10.111 462 2HB LYS 43 2HB LYS 43 -1.605 -8.018 8.387 463 1HG LYS 43 1HG LYS 43 0.896 -7.993 8.397 464 2HG LYS 43 2HG LYS 43 0.886 -7.931 10.162 465 1HD LYS 43 1HD LYS 43 1.104 -10.162 10.135 466 2HD LYS 43 2HD LYS 43 -0.608 -10.188 9.756 467 1HE LYS 43 1HE LYS 43 0.292 -11.554 8.097 468 2HE LYS 43 2HE LYS 43 0.129 -9.993 7.263 469 1HZ LYS 43 2HZ LYS 43 2.476 -9.600 7.751 470 2HZ LYS 43 3HZ LYS 43 2.595 -11.074 8.472 471 3HZ LYS 43 1HZ LYS 43 2.298 -10.960 6.862 472 QB LYS 43 QB LYS 43 -1.610 -8.106 9.249 473 QG LYS 43 QG LYS 43 0.891 -7.962 9.280 474 QD LYS 43 QD LYS 43 0.248 -10.175 9.946 475 QE LYS 43 QE LYS 43 0.211 -10.773 7.680 476 QZ LYS 43 QZ LYS 43 2.456 -10.545 7.695 477 H PHE 44 H PHE 44 -3.489 -5.731 9.686 478 HA PHE 44 HA PHE 44 -4.032 -4.789 7.071 479 1HB PHE 44 1HB PHE 44 -5.645 -5.885 8.646 480 2HB PHE 44 2HB PHE 44 -5.618 -4.449 9.648 481 HD1 PHE 44 2HD PHE 44 -6.618 -2.296 8.825 482 HD2 PHE 44 1HD PHE 44 -7.005 -6.001 6.661 483 HE1 PHE 44 2HE PHE 44 -8.519 -1.356 7.548 484 HE2 PHE 44 1HE PHE 44 -8.898 -5.043 5.363 485 1HZ PHE 44 HZ PHE 44 -9.671 -2.728 5.821 486 QB PHE 44 QB PHE 44 -5.632 -5.167 9.147 487 QG PHE 44 QD PHE 44 -6.811 -4.149 7.743 488 QZ PHE 44 QE PHE 44 -8.709 -3.200 6.456 489 QZ PHE 44 QR PHE 44 -8.142 -3.485 6.844 490 H LYS 45 H LYS 45 -3.542 -3.035 10.210 491 HA LYS 45 HA LYS 45 -3.808 -0.484 8.920 492 1HB LYS 45 1HB LYS 45 -3.145 0.581 10.923 493 2HB LYS 45 2HB LYS 45 -4.264 -0.726 11.301 494 1HG LYS 45 1HG LYS 45 -2.409 -2.131 12.025 495 2HG LYS 45 2HG LYS 45 -1.231 -0.889 11.577 496 1HD LYS 45 1HD LYS 45 -2.248 0.621 13.299 497 2HD LYS 45 2HD LYS 45 -3.382 -0.670 13.720 498 1HE LYS 45 1HE LYS 45 -1.583 -0.694 15.327 499 2HE LYS 45 2HE LYS 45 -1.469 -2.150 14.342 500 1HZ LYS 45 3HZ LYS 45 0.300 -0.982 13.052 501 2HZ LYS 45 1HZ LYS 45 0.162 0.297 14.028 502 3HZ LYS 45 2HZ LYS 45 0.693 -1.131 14.640 503 QB LYS 45 QB LYS 45 -3.704 -0.073 11.112 504 QG LYS 45 QG LYS 45 -1.820 -1.510 11.801 505 QD LYS 45 QD LYS 45 -2.815 -0.024 13.509 506 QE LYS 45 QE LYS 45 -1.526 -1.422 14.835 507 QZ LYS 45 QZ LYS 45 0.385 -0.606 13.907 508 H GLU 46 H GLU 46 -0.970 -2.669 9.241 509 HA GLU 46 HA GLU 46 0.941 -0.844 8.418 510 1HB GLU 46 1HB GLU 46 0.878 -3.379 9.313 511 2HB GLU 46 2HB GLU 46 0.925 -3.786 7.616 512 1HG GLU 46 1HG GLU 46 2.849 -1.730 8.588 513 2HG GLU 46 2HG GLU 46 3.048 -3.338 9.234 514 QB GLU 46 QB GLU 46 0.902 -3.582 8.464 515 QG GLU 46 QG GLU 46 2.949 -2.534 8.911 516 H ILE 47 H ILE 47 -1.058 -3.193 6.562 517 HA ILE 47 HA ILE 47 -0.428 -2.205 3.951 518 HB ILE 47 HB ILE 47 -2.968 -3.477 4.999 519 1HG1 ILE 47 1HG1 ILE 47 -0.528 -4.480 3.516 520 2HG1 ILE 47 2HG1 ILE 47 -1.089 -4.991 5.087 521 1HG2 ILE 47 3HG2 ILE 47 -3.465 -2.085 2.960 522 2HG2 ILE 47 1HG2 ILE 47 -2.186 -2.970 2.093 523 3HG2 ILE 47 2HG2 ILE 47 -3.668 -3.788 2.660 524 1HD1 ILE 47 3HD1 ILE 47 -3.090 -5.992 3.943 525 2HD1 ILE 47 1HD1 ILE 47 -2.339 -5.571 2.393 526 3HD1 ILE 47 2HD1 ILE 47 -1.513 -6.695 3.469 527 QG1 ILE 47 QG1 ILE 47 -0.809 -4.736 4.301 528 QG2 ILE 47 QG2 ILE 47 -3.106 -2.948 2.571 529 QD1 ILE 47 QD1 ILE 47 -2.314 -6.086 3.268 530 H ALA 48 H ALA 48 -2.785 -0.961 6.387 531 HA ALA 48 HA ALA 48 -4.050 0.831 4.641 532 1HB ALA 48 2HB ALA 48 -4.929 0.234 6.871 533 2HB ALA 48 3HB ALA 48 -3.673 1.276 7.601 534 3HB ALA 48 1HB ALA 48 -4.901 1.976 6.543 535 QB ALA 48 QB ALA 48 -4.501 1.162 7.005 536 H GLU 49 H GLU 49 -0.913 1.075 6.167 537 HA GLU 49 HA GLU 49 -0.593 3.953 5.727 538 1HB GLU 49 1HB GLU 49 0.667 2.470 7.389 539 2HB GLU 49 2HB GLU 49 1.635 1.904 6.025 540 1HG GLU 49 1HG GLU 49 2.375 4.204 5.555 541 2HG GLU 49 2HG GLU 49 1.294 4.849 6.782 542 QB GLU 49 QB GLU 49 1.151 2.187 6.707 543 QG GLU 49 QG GLU 49 1.835 4.527 6.168 544 H ALA 50 H ALA 50 0.266 0.929 3.996 545 HA ALA 50 HA ALA 50 1.577 2.273 1.790 546 1HB ALA 50 1HB ALA 50 1.997 -0.080 2.396 547 2HB ALA 50 2HB ALA 50 0.326 -0.507 1.974 548 3HB ALA 50 3HB ALA 50 1.427 0.081 0.719 549 QB ALA 50 QB ALA 50 1.250 -0.169 1.696 550 H TYR 51 H TYR 51 -1.693 1.247 2.528 551 HA TYR 51 HA TYR 51 -3.089 1.450 0.088 552 1HB TYR 51 1HB TYR 51 -3.624 0.710 2.616 553 2HB TYR 51 2HB TYR 51 -4.292 2.305 2.752 554 HD1 TYR 51 1HD TYR 51 -4.395 -0.959 1.024 555 HD2 TYR 51 2HD TYR 51 -6.617 2.556 2.179 556 HE1 TYR 51 1HE TYR 51 -6.490 -2.164 0.599 557 HE2 TYR 51 2HE TYR 51 -8.733 1.333 1.824 558 HH TYR 51 HH TYR 51 -9.393 -1.192 1.911 559 QB TYR 51 QB TYR 51 -3.958 1.508 2.684 560 QG TYR 51 QD TYR 51 -5.506 0.799 1.601 561 QZ TYR 51 QE TYR 51 -7.611 -0.415 1.211 562 QR TYR 51 QR TYR 51 -6.559 0.192 1.406 563 H ASP 52 H ASP 52 -2.727 3.785 2.781 564 HA ASP 52 HA ASP 52 -3.830 6.069 1.595 565 1HB ASP 52 1HB ASP 52 -3.335 5.779 3.988 566 2HB ASP 52 2HB ASP 52 -1.600 5.880 3.663 567 QB ASP 52 QB ASP 52 -2.467 5.829 3.825 568 H VAL 53 H VAL 53 -0.383 5.079 1.802 569 HA VAL 53 HA VAL 53 0.680 7.277 0.438 570 HB VAL 53 HB VAL 53 1.593 4.379 0.752 571 1HG1 VAL 53 1HG1 VAL 53 3.119 6.692 -0.499 572 2HG1 VAL 53 2HG1 VAL 53 3.883 5.184 0.096 573 3HG1 VAL 53 3HG1 VAL 53 2.737 5.128 -1.230 574 1HG2 VAL 53 3HG2 VAL 53 1.463 6.064 2.738 575 2HG2 VAL 53 1HG2 VAL 53 2.963 5.149 2.478 576 3HG2 VAL 53 2HG2 VAL 53 2.833 6.836 1.937 577 QG1 VAL 53 QG1 VAL 53 3.246 5.668 -0.544 578 QG2 VAL 53 QG2 VAL 53 2.419 6.016 2.385 579 QQG VAL 53 QQG VAL 53 2.833 5.842 0.920 580 H LEU 54 H LEU 54 -0.173 4.030 -0.897 581 HA LEU 54 HA LEU 54 0.800 4.701 -3.507 582 1HB LEU 54 1HB LEU 54 -0.677 2.413 -2.325 583 2HB LEU 54 2HB LEU 54 -0.842 2.756 -4.004 584 HG LEU 54 HG LEU 54 1.469 2.583 -4.499 585 1HD1 LEU 54 3HD1 LEU 54 1.919 2.164 -1.522 586 2HD1 LEU 54 1HD1 LEU 54 3.112 1.774 -2.784 587 3HD1 LEU 54 2HD1 LEU 54 2.593 3.439 -2.562 588 1HD2 LEU 54 2HD2 LEU 54 -0.017 0.507 -4.261 589 2HD2 LEU 54 3HD2 LEU 54 1.724 0.229 -4.187 590 3HD2 LEU 54 1HD2 LEU 54 0.779 0.264 -2.690 591 QB LEU 54 QB LEU 54 -0.759 2.585 -3.164 592 QD1 LEU 54 QD1 LEU 54 2.542 2.459 -2.289 593 QD2 LEU 54 QD2 LEU 54 0.829 0.333 -3.713 594 QQD LEU 54 QQD LEU 54 1.685 1.396 -3.001 595 H SER 55 H SER 55 -2.235 5.431 -1.907 596 HA SER 55 HA SER 55 -3.495 6.212 -4.454 597 1HB SER 55 1HB SER 55 -5.394 6.806 -3.094 598 2HB SER 55 2HB SER 55 -4.847 5.172 -2.743 599 HG SER 55 HG SER 55 -3.615 6.592 -0.939 600 QB SER 55 QB SER 55 -5.120 5.989 -2.918 601 H ASP 56 H ASP 56 -1.692 7.827 -1.814 602 HA ASP 56 HA ASP 56 -2.660 10.455 -2.759 603 1HB ASP 56 1HB ASP 56 -2.937 10.280 -0.443 604 2HB ASP 56 2HB ASP 56 -1.300 9.631 -0.209 605 QB ASP 56 QB ASP 56 -2.118 9.956 -0.326 606 HA PRO 57 HA PRO 57 1.368 10.408 -4.828 607 1HB PRO 57 1HB PRO 57 1.096 12.710 -6.297 608 2HB PRO 57 2HB PRO 57 0.398 11.130 -6.771 609 1HG PRO 57 1HG PRO 57 -0.955 13.426 -5.318 610 2HG PRO 57 2HG PRO 57 -1.565 12.493 -6.726 611 1HD PRO 57 1HD PRO 57 -2.335 11.927 -4.199 612 2HD PRO 57 2HD PRO 57 -2.047 10.607 -5.374 613 QB PRO 57 QB PRO 57 0.747 11.920 -6.534 614 QG PRO 57 QG PRO 57 -1.260 12.959 -6.022 615 QD PRO 57 QD PRO 57 -2.191 11.267 -4.787 616 H ARG 58 H ARG 58 0.198 12.641 -2.390 617 HA ARG 58 HA ARG 58 2.666 14.264 -2.471 618 1HB ARG 58 1HB ARG 58 0.188 14.237 -0.742 619 2HB ARG 58 2HB ARG 58 1.665 14.981 -0.139 620 1HG ARG 58 1HG ARG 58 0.111 16.559 -1.261 621 2HG ARG 58 2HG ARG 58 1.750 16.552 -1.925 622 1HD ARG 58 1HD ARG 58 1.032 15.287 -3.878 623 2HD ARG 58 2HD ARG 58 -0.572 15.023 -3.159 624 HE ARG 58 HE ARG 58 -1.215 17.144 -3.667 625 1HH1 ARG 58 2HH2 ARG 58 2.306 16.927 -4.446 626 2HH1 ARG 58 1HH2 ARG 58 2.323 18.458 -5.221 627 1HH2 ARG 58 2HH1 ARG 58 -1.127 19.126 -4.520 628 2HH2 ARG 58 1HH1 ARG 58 0.380 19.871 -5.048 629 QB ARG 58 QB ARG 58 0.927 14.609 -0.440 630 QG ARG 58 QG ARG 58 0.930 16.556 -1.593 631 QD ARG 58 QD ARG 58 0.230 15.155 -3.518 632 QH1 ARG 58 QH2 ARG 58 2.314 17.693 -4.833 633 QH2 ARG 58 QH1 ARG 58 -0.373 19.499 -4.784 634 H LYS 59 H LYS 59 1.291 11.651 -0.357 635 HA LYS 59 HA LYS 59 3.818 11.430 1.076 636 1HB LYS 59 1HB LYS 59 1.346 10.518 1.573 637 2HB LYS 59 2HB LYS 59 1.919 9.088 0.746 638 1HG LYS 59 1HG LYS 59 2.781 10.312 3.355 639 2HG LYS 59 2HG LYS 59 2.102 8.742 3.067 640 1HD LYS 59 1HD LYS 59 4.204 8.129 3.535 641 2HD LYS 59 2HD LYS 59 4.457 8.347 1.800 642 1HE LYS 59 1HE LYS 59 5.531 10.463 2.130 643 2HE LYS 59 2HE LYS 59 4.849 10.635 3.756 644 1HZ LYS 59 3HZ LYS 59 6.230 8.865 4.522 645 2HZ LYS 59 1HZ LYS 59 6.915 8.678 3.034 646 3HZ LYS 59 2HZ LYS 59 7.149 10.070 3.862 647 QB LYS 59 QB LYS 59 1.633 9.803 1.160 648 QG LYS 59 QG LYS 59 2.442 9.527 3.211 649 QD LYS 59 QD LYS 59 4.330 8.238 2.667 650 QE LYS 59 QE LYS 59 5.190 10.549 2.943 651 QZ LYS 59 QZ LYS 59 6.765 9.204 3.806 652 H ARG 60 H ARG 60 2.292 9.752 -1.736 653 HA ARG 60 HA ARG 60 4.574 8.169 -2.189 654 1HB ARG 60 1HB ARG 60 2.053 8.368 -3.375 655 2HB ARG 60 2HB ARG 60 3.123 8.923 -4.662 656 1HG ARG 60 1HG ARG 60 4.465 6.858 -4.446 657 2HG ARG 60 2HG ARG 60 3.523 6.419 -3.007 658 1HD ARG 60 1HD ARG 60 2.577 5.086 -4.583 659 2HD ARG 60 2HD ARG 60 1.465 6.470 -4.542 660 HE ARG 60 HE ARG 60 3.636 6.573 -6.572 661 1HH1 ARG 60 2HH2 ARG 60 0.181 5.620 -6.078 662 2HH1 ARG 60 1HH2 ARG 60 -0.091 5.529 -7.766 663 1HH2 ARG 60 2HH1 ARG 60 3.268 6.309 -8.629 664 2HH2 ARG 60 1HH1 ARG 60 1.780 5.673 -9.292 665 QB ARG 60 QB ARG 60 2.588 8.646 -4.018 666 QG ARG 60 QG ARG 60 3.994 6.639 -3.727 667 QD ARG 60 QD ARG 60 2.021 5.778 -4.562 668 QH1 ARG 60 QH2 ARG 60 0.045 5.574 -6.922 669 QH2 ARG 60 QH1 ARG 60 2.524 5.991 -8.960 670 H GLU 61 H GLU 61 4.502 11.702 -2.502 671 HA GLU 61 HA GLU 61 5.554 11.778 -5.050 672 1HB GLU 61 1HB GLU 61 4.662 13.587 -3.208 673 2HB GLU 61 2HB GLU 61 6.358 13.849 -2.980 674 1HG GLU 61 1HG GLU 61 6.584 14.531 -5.315 675 2HG GLU 61 2HG GLU 61 4.981 13.909 -5.711 676 QB GLU 61 QB GLU 61 5.510 13.718 -3.094 677 QG GLU 61 QG GLU 61 5.783 14.220 -5.513 678 H ILE 62 H ILE 62 7.289 11.611 -1.914 679 HA ILE 62 HA ILE 62 9.899 11.558 -3.273 680 HB ILE 62 HB ILE 62 9.170 10.777 -0.410 681 1HG1 ILE 62 1HG1 ILE 62 10.123 13.401 -1.647 682 2HG1 ILE 62 2HG1 ILE 62 8.579 13.110 -0.855 683 1HG2 ILE 62 3HG2 ILE 62 11.359 9.830 -1.194 684 2HG2 ILE 62 1HG2 ILE 62 11.894 11.474 -1.609 685 3HG2 ILE 62 2HG2 ILE 62 11.566 11.010 0.072 686 1HD1 ILE 62 1HD1 ILE 62 9.768 12.724 1.303 687 2HD1 ILE 62 2HD1 ILE 62 11.289 13.180 0.502 688 3HD1 ILE 62 3HD1 ILE 62 9.987 14.358 0.626 689 QG1 ILE 62 QG1 ILE 62 9.351 13.256 -1.251 690 QG2 ILE 62 QG2 ILE 62 11.606 10.771 -0.910 691 QD1 ILE 62 QD1 ILE 62 10.348 13.421 0.810 692 H PHE 63 H PHE 63 7.448 9.215 -2.313 693 HA PHE 63 HA PHE 63 9.157 6.916 -2.448 694 1HB PHE 63 1HB PHE 63 6.808 7.239 -1.323 695 2HB PHE 63 2HB PHE 63 6.170 6.916 -2.930 696 HD1 PHE 63 1HD PHE 63 8.906 5.496 -0.806 697 HD2 PHE 63 2HD PHE 63 5.388 4.688 -3.156 698 HE1 PHE 63 1HE PHE 63 9.063 3.127 -0.183 699 HE2 PHE 63 2HE PHE 63 5.549 2.304 -2.552 700 1HZ PHE 63 HZ PHE 63 7.354 1.520 -1.013 701 QB PHE 63 QB PHE 63 6.489 7.078 -2.127 702 QG PHE 63 QD PHE 63 7.147 5.092 -1.981 703 QZ PHE 63 QE PHE 63 7.306 2.716 -1.368 704 QZ PHE 63 QR PHE 63 7.252 3.427 -1.542 705 H ASP 64 H ASP 64 7.146 8.597 -4.803 706 HA ASP 64 HA ASP 64 7.208 6.627 -6.869 707 1HB ASP 64 1HB ASP 64 5.479 8.569 -6.335 708 2HB ASP 64 2HB ASP 64 6.553 9.572 -7.292 709 QB ASP 64 QB ASP 64 6.016 9.071 -6.814 710 H ARG 65 H ARG 65 8.930 9.768 -6.260 711 HA ARG 65 HA ARG 65 10.343 9.774 -8.660 712 1HB ARG 65 1HB ARG 65 11.485 11.525 -7.845 713 2HB ARG 65 2HB ARG 65 9.932 11.653 -7.040 714 1HG ARG 65 1HG ARG 65 11.073 10.734 -4.983 715 2HG ARG 65 2HG ARG 65 12.606 10.816 -5.863 716 1HD ARG 65 1HD ARG 65 12.346 12.749 -4.392 717 2HD ARG 65 2HD ARG 65 12.372 13.248 -6.091 718 HE ARG 65 HE ARG 65 9.722 13.031 -5.702 719 1HH1 ARG 65 2HH2 ARG 65 12.117 14.825 -3.649 720 2HH1 ARG 65 1HH2 ARG 65 10.910 15.961 -3.176 721 1HH2 ARG 65 2HH1 ARG 65 8.389 14.641 -5.235 722 2HH2 ARG 65 1HH1 ARG 65 8.778 15.911 -4.104 723 QB ARG 65 QB ARG 65 10.708 11.589 -7.442 724 QG ARG 65 QG ARG 65 11.840 10.775 -5.423 725 QD ARG 65 QD ARG 65 12.359 12.999 -5.241 726 QH1 ARG 65 QH2 ARG 65 11.513 15.393 -3.412 727 QH2 ARG 65 QH1 ARG 65 8.583 15.276 -4.670 728 H TYR 66 H TYR 66 11.261 8.416 -5.527 729 HA TYR 66 HA TYR 66 13.750 7.298 -6.699 730 1HB TYR 66 1HB TYR 66 12.690 7.280 -3.856 731 2HB TYR 66 2HB TYR 66 14.198 6.553 -4.377 732 HD1 TYR 66 1HD TYR 66 15.938 8.021 -5.587 733 HD2 TYR 66 2HD TYR 66 12.706 9.603 -3.197 734 HE1 TYR 66 1HE TYR 66 17.179 10.130 -5.292 735 HE2 TYR 66 2HE TYR 66 14.003 11.650 -2.787 736 HH TYR 66 HH TYR 66 16.348 12.341 -2.791 737 QB TYR 66 QB TYR 66 13.444 6.917 -4.117 738 QG TYR 66 QD TYR 66 14.322 8.812 -4.392 739 QZ TYR 66 QE TYR 66 15.591 10.890 -4.039 740 QR TYR 66 QR TYR 66 14.956 9.851 -4.216 741 H GLY 67 H GLY 67 10.601 5.955 -5.604 742 1HA GLY 67 1HA GLY 67 9.663 3.933 -5.892 743 2HA GLY 67 2HA GLY 67 10.932 3.511 -7.022 744 QA GLY 67 QA GLY 67 10.298 3.722 -6.457 745 H GLU 68 H GLU 68 9.828 3.175 -3.735 746 HA GLU 68 HA GLU 68 10.748 2.499 -1.806 747 1HB GLU 68 1HB GLU 68 11.431 0.053 -3.465 748 2HB GLU 68 2HB GLU 68 10.907 0.228 -1.783 749 1HG GLU 68 1HG GLU 68 8.700 1.107 -2.789 750 2HG GLU 68 2HG GLU 68 9.241 0.309 -4.256 751 QB GLU 68 QB GLU 68 11.169 0.140 -2.624 752 QG GLU 68 QG GLU 68 8.970 0.708 -3.522 753 H GLU 69 H GLU 69 12.572 4.175 -2.751 754 HA GLU 69 HA GLU 69 15.031 3.058 -1.536 755 1HB GLU 69 1HB GLU 69 14.749 3.505 -4.326 756 2HB GLU 69 2HB GLU 69 15.639 4.906 -3.750 757 1HG GLU 69 1HG GLU 69 16.354 2.019 -3.119 758 2HG GLU 69 2HG GLU 69 17.023 2.932 -4.474 759 QB GLU 69 QB GLU 69 15.194 4.205 -4.038 760 QG GLU 69 QG GLU 69 16.689 2.475 -3.797 761 H GLY 70 H GLY 70 12.855 5.737 -2.107 762 1HA GLY 70 1HA GLY 70 14.746 7.737 -1.093 763 2HA GLY 70 2HA GLY 70 13.196 7.997 -1.849 764 QA GLY 70 QA GLY 70 13.971 7.867 -1.471 765 H LEU 71 H LEU 71 12.411 5.725 0.452 766 HA LEU 71 HA LEU 71 10.899 7.891 1.669 767 1HB LEU 71 1HB LEU 71 10.205 5.462 0.840 768 2HB LEU 71 2HB LEU 71 10.573 4.994 2.464 769 HG LEU 71 HG LEU 71 8.218 5.448 2.074 770 1HD1 LEU 71 1HD1 LEU 71 9.152 5.839 4.350 771 2HD1 LEU 71 2HD1 LEU 71 9.272 7.569 3.989 772 3HD1 LEU 71 3HD1 LEU 71 7.689 6.749 4.031 773 1HD2 LEU 71 1HD2 LEU 71 8.595 7.353 0.391 774 2HD2 LEU 71 2HD2 LEU 71 7.240 7.514 1.503 775 3HD2 LEU 71 3HD2 LEU 71 8.749 8.427 1.780 776 QB LEU 71 QB LEU 71 10.389 5.228 1.652 777 QD1 LEU 71 QD1 LEU 71 8.704 6.719 4.123 778 QD2 LEU 71 QD2 LEU 71 8.195 7.765 1.225 779 QQD LEU 71 QQD LEU 71 8.450 7.242 2.674 780 H LYS 72 H LYS 72 13.308 8.478 2.477 781 HA LYS 72 HA LYS 72 13.802 7.392 5.172 782 1HB LYS 72 1HB LYS 72 15.490 8.296 3.320 783 2HB LYS 72 2HB LYS 72 15.227 9.833 4.113 784 1HG LYS 72 1HG LYS 72 16.025 7.235 5.551 785 2HG LYS 72 2HG LYS 72 17.200 8.330 4.849 786 1HD LYS 72 1HD LYS 72 15.301 9.073 7.118 787 2HD LYS 72 2HD LYS 72 17.012 8.630 7.271 788 1HE LYS 72 1HE LYS 72 17.582 10.499 5.693 789 2HE LYS 72 2HE LYS 72 15.887 11.014 5.737 790 1HZ LYS 72 1HZ LYS 72 17.654 10.870 8.119 791 2HZ LYS 72 2HZ LYS 72 17.354 12.209 7.234 792 3HZ LYS 72 3HZ LYS 72 16.137 11.473 8.076 793 QB LYS 72 QB LYS 72 15.358 9.064 3.717 794 QG LYS 72 QG LYS 72 16.612 7.782 5.200 795 QD LYS 72 QD LYS 72 16.157 8.852 7.194 796 QE LYS 72 QE LYS 72 16.735 10.756 5.715 797 QZ LYS 72 QZ LYS 72 17.048 11.517 7.810 798 H GLY 73 H GLY 73 11.249 8.203 4.915 799 1HA GLY 73 1HA GLY 73 10.765 10.833 6.163 800 2HA GLY 73 2HA GLY 73 9.569 9.593 5.767 801 QA GLY 73 QA GLY 73 10.167 10.213 5.965 802 H SER 74 H SER 74 11.871 7.762 7.127 803 HA SER 74 HA SER 74 11.938 8.640 9.835 804 1HB SER 74 1HB SER 74 10.866 5.867 9.116 805 2HB SER 74 2HB SER 74 11.305 6.417 10.748 806 HG SER 74 HG SER 74 9.636 8.167 9.500 807 QB SER 74 QB SER 74 11.086 6.142 9.932 808 H GLY 75 H GLY 75 13.724 7.060 10.863 809 1HA GLY 75 1HA GLY 75 15.785 5.787 10.037 810 2HA GLY 75 2HA GLY 75 15.863 7.046 8.798 811 QA GLY 75 QA GLY 75 15.824 6.417 9.418 812 H CYS 76 H CYS 76 17.926 7.612 9.746 813 HA CYS 76 HA CYS 76 18.198 8.696 12.418 814 1HB CYS 76 1HB CYS 76 19.971 9.061 9.964 815 2HB CYS 76 2HB CYS 76 20.403 9.370 11.650 816 HG CYS 76 HG CYS 76 21.627 7.258 11.195 817 QB CYS 76 QB CYS 76 20.187 9.215 10.807 No H/Q in entry = 817 Start of MODEL 5 1 H MET 0 H MET 0 12.825 -7.246 6.620 2 HA MET 0 HA MET 0 11.579 -7.321 4.425 3 1HB MET 0 1HB MET 0 11.700 -9.555 6.457 4 2HB MET 0 2HB MET 0 10.589 -9.804 5.111 5 1HG MET 0 1HG MET 0 12.362 -9.415 3.481 6 2HG MET 0 2HG MET 0 13.500 -9.065 4.776 7 1HE MET 0 2HE MET 0 11.609 -11.705 2.683 8 2HE MET 0 3HE MET 0 11.849 -13.207 3.600 9 3HE MET 0 1HE MET 0 10.771 -11.952 4.238 10 QB MET 0 QB MET 0 11.145 -9.680 5.784 11 QG MET 0 QG MET 0 12.931 -9.240 4.129 12 QE MET 0 QE MET 0 11.410 -12.288 3.507 13 H GLY 1 H GLY 1 9.760 -7.876 3.324 14 1HA GLY 1 1HA GLY 1 7.529 -7.722 2.827 15 2HA GLY 1 2HA GLY 1 7.127 -7.614 4.547 16 QA GLY 1 QA GLY 1 7.328 -7.668 3.687 17 H LYS 2 H LYS 2 8.941 -5.486 5.140 18 HA LYS 2 HA LYS 2 7.070 -3.358 4.783 19 1HB LYS 2 1HB LYS 2 8.716 -3.899 6.715 20 2HB LYS 2 2HB LYS 2 9.939 -3.020 5.815 21 1HG LYS 2 1HG LYS 2 7.371 -1.559 6.159 22 2HG LYS 2 2HG LYS 2 8.148 -2.035 7.654 23 1HD LYS 2 1HD LYS 2 8.782 0.211 7.145 24 2HD LYS 2 2HD LYS 2 10.178 -0.843 7.074 25 1HE LYS 2 1HE LYS 2 10.358 0.682 5.246 26 2HE LYS 2 2HE LYS 2 9.991 -0.894 4.571 27 1HZ LYS 2 1HZ LYS 2 7.637 -0.122 4.385 28 2HZ LYS 2 2HZ LYS 2 8.100 1.348 4.950 29 3HZ LYS 2 3HZ LYS 2 8.731 0.811 3.546 30 QB LYS 2 QB LYS 2 9.328 -3.459 6.265 31 QG LYS 2 QG LYS 2 7.759 -1.797 6.907 32 QD LYS 2 QD LYS 2 9.480 -0.316 7.110 33 QE LYS 2 QE LYS 2 10.175 -0.106 4.908 34 QZ LYS 2 QZ LYS 2 8.156 0.679 4.293 35 H ASP 3 H ASP 3 6.820 -2.637 2.709 36 HA ASP 3 HA ASP 3 8.703 -0.903 1.351 37 1HB ASP 3 1HB ASP 3 9.878 -2.897 0.768 38 2HB ASP 3 2HB ASP 3 8.406 -3.735 0.312 39 QB ASP 3 QB ASP 3 9.142 -3.316 0.540 40 H TYR 4 H TYR 4 6.026 -0.811 2.362 41 HA TYR 4 HA TYR 4 3.911 -0.349 1.912 42 1HB TYR 4 1HB TYR 4 5.242 1.506 -0.074 43 2HB TYR 4 2HB TYR 4 3.660 1.717 0.648 44 HD1 TYR 4 1HD TYR 4 3.412 2.265 3.099 45 HD2 TYR 4 2HD TYR 4 7.292 1.978 1.209 46 HE1 TYR 4 1HE TYR 4 4.444 3.425 5.019 47 HE2 TYR 4 2HE TYR 4 8.297 3.209 3.075 48 HH TYR 4 HH TYR 4 6.602 3.718 6.085 49 QB TYR 4 QB TYR 4 4.451 1.611 0.287 50 QG TYR 4 QD TYR 4 5.352 2.121 2.154 51 QZ TYR 4 QE TYR 4 6.370 3.317 4.047 52 QR TYR 4 QR TYR 4 5.861 2.719 3.101 53 H TYR 5 H TYR 5 5.056 -0.182 -1.493 54 HA TYR 5 HA TYR 5 2.686 -1.028 -2.824 55 1HB TYR 5 1HB TYR 5 5.667 -1.122 -3.397 56 2HB TYR 5 2HB TYR 5 4.512 -1.872 -4.469 57 HD1 TYR 5 1HD TYR 5 5.009 1.499 -2.779 58 HD2 TYR 5 2HD TYR 5 3.895 -0.672 -6.335 59 HE1 TYR 5 1HE TYR 5 4.830 3.612 -4.017 60 HE2 TYR 5 2HE TYR 5 3.843 1.447 -7.618 61 HH TYR 5 HH TYR 5 4.471 3.701 -7.566 62 QB TYR 5 QB TYR 5 5.090 -1.497 -3.933 63 QG TYR 5 QD TYR 5 4.452 0.413 -4.557 64 QZ TYR 5 QE TYR 5 4.337 2.529 -5.818 65 QR TYR 5 QR TYR 5 4.394 1.471 -5.188 66 H GLN 6 H GLN 6 5.544 -2.814 -1.564 67 HA GLN 6 HA GLN 6 4.562 -5.360 -2.344 68 1HB GLN 6 1HB GLN 6 6.865 -4.283 -1.064 69 2HB GLN 6 2HB GLN 6 6.259 -5.465 0.079 70 1HG GLN 6 1HG GLN 6 6.992 -5.943 -2.835 71 2HG GLN 6 2HG GLN 6 7.968 -6.369 -1.426 72 1HE2 GLN 6 2HE2 GLN 6 6.156 -9.413 -2.700 73 2HE2 GLN 6 1HE2 GLN 6 7.149 -8.171 -3.462 74 QB GLN 6 QB GLN 6 6.562 -4.874 -0.493 75 QG GLN 6 QG GLN 6 7.480 -6.156 -2.130 76 QE2 GLN 6 QE2 GLN 6 6.652 -8.792 -3.081 77 H THR 7 H THR 7 4.272 -3.614 0.840 78 HA THR 7 HA THR 7 2.846 -5.621 2.167 79 HB THR 7 HB THR 7 2.711 -2.581 2.362 80 HG1 THR 7 1HG THR 7 4.255 -3.834 4.200 81 1HG2 THR 7 2HG2 THR 7 2.030 -4.663 4.451 82 2HG2 THR 7 3HG2 THR 7 2.144 -2.894 4.698 83 3HG2 THR 7 1HG2 THR 7 0.914 -3.563 3.640 84 QG2 THR 7 QG2 THR 7 1.696 -3.707 4.263 85 H LEU 8 H LEU 8 1.797 -3.292 -0.193 86 HA LEU 8 HA LEU 8 -1.057 -3.825 0.199 87 1HB LEU 8 1HB LEU 8 0.122 -1.641 -0.487 88 2HB LEU 8 2HB LEU 8 0.263 -2.329 -2.083 89 HG LEU 8 HG LEU 8 -1.567 -0.711 -1.790 90 1HD1 LEU 8 1HD1 LEU 8 -1.684 -2.736 -3.393 91 2HD1 LEU 8 2HD1 LEU 8 -2.977 -3.292 -2.327 92 3HD1 LEU 8 3HD1 LEU 8 -3.108 -1.725 -3.149 93 1HD2 LEU 8 1HD2 LEU 8 -2.174 -1.234 0.552 94 2HD2 LEU 8 2HD2 LEU 8 -3.551 -1.107 -0.560 95 3HD2 LEU 8 3HD2 LEU 8 -3.001 -2.704 -0.032 96 QB LEU 8 QB LEU 8 0.192 -1.985 -1.285 97 QD1 LEU 8 QD1 LEU 8 -2.590 -2.585 -2.957 98 QD2 LEU 8 QD2 LEU 8 -2.909 -1.682 -0.013 99 QQD LEU 8 QQD LEU 8 -2.749 -2.133 -1.485 100 H GLY 9 H GLY 9 1.536 -5.328 -1.454 101 1HA GLY 9 1HA GLY 9 1.160 -7.645 -1.926 102 2HA GLY 9 2HA GLY 9 -0.361 -7.244 -2.720 103 QA GLY 9 QA GLY 9 0.400 -7.445 -2.323 104 H LEU 10 H LEU 10 2.500 -5.255 -3.358 105 HA LEU 10 HA LEU 10 2.355 -6.164 -6.199 106 1HB LEU 10 1HB LEU 10 2.642 -3.397 -4.992 107 2HB LEU 10 2HB LEU 10 2.579 -3.744 -6.695 108 HG LEU 10 HG LEU 10 0.225 -4.597 -5.002 109 1HD1 LEU 10 1HD1 LEU 10 0.807 -1.797 -5.984 110 2HD1 LEU 10 2HD1 LEU 10 -0.745 -2.397 -5.351 111 3HD1 LEU 10 3HD1 LEU 10 0.677 -2.356 -4.302 112 1HD2 LEU 10 3HD2 LEU 10 0.666 -3.804 -7.915 113 2HD2 LEU 10 1HD2 LEU 10 0.121 -5.356 -7.253 114 3HD2 LEU 10 2HD2 LEU 10 -0.930 -3.945 -7.181 115 QB LEU 10 QB LEU 10 2.611 -3.570 -5.844 116 QD1 LEU 10 QD1 LEU 10 0.246 -2.184 -5.212 117 QD2 LEU 10 QD2 LEU 10 -0.048 -4.368 -7.450 118 QQD LEU 10 QQD LEU 10 0.099 -3.276 -6.331 119 H ALA 11 H ALA 11 4.180 -4.454 -7.262 120 HA ALA 11 HA ALA 11 6.784 -4.798 -5.908 121 1HB ALA 11 1HB ALA 11 6.657 -6.267 -7.920 122 2HB ALA 11 2HB ALA 11 6.219 -4.839 -8.905 123 3HB ALA 11 3HB ALA 11 7.813 -4.928 -8.144 124 QB ALA 11 QB ALA 11 6.897 -5.345 -8.323 125 H ARG 12 H ARG 12 8.243 -3.090 -6.671 126 HA ARG 12 HA ARG 12 7.243 -0.420 -7.113 127 1HB ARG 12 1HB ARG 12 9.923 -1.691 -7.905 128 2HB ARG 12 2HB ARG 12 9.514 0.015 -8.035 129 1HG ARG 12 1HG ARG 12 10.727 -0.038 -6.082 130 2HG ARG 12 2HG ARG 12 9.064 -0.050 -5.490 131 1HD ARG 12 1HD ARG 12 9.202 -2.475 -5.082 132 2HD ARG 12 2HD ARG 12 10.821 -2.531 -5.775 133 HE ARG 12 HE ARG 12 9.977 -1.635 -3.135 134 1HH1 ARG 12 2HH2 ARG 12 12.737 -1.643 -5.404 135 2HH1 ARG 12 1HH2 ARG 12 13.837 -1.038 -4.209 136 1HH2 ARG 12 2HH1 ARG 12 11.318 -0.852 -1.703 137 2HH2 ARG 12 1HH1 ARG 12 13.052 -0.688 -1.936 138 QB ARG 12 QB ARG 12 9.718 -0.838 -7.970 139 QG ARG 12 QG ARG 12 9.895 -0.044 -5.786 140 QD ARG 12 QD ARG 12 10.011 -2.503 -5.429 141 QH1 ARG 12 QH2 ARG 12 13.287 -1.341 -4.806 142 QH2 ARG 12 QH1 ARG 12 12.185 -0.770 -1.820 143 H GLY 13 H GLY 13 6.314 0.286 -8.868 144 1HA GLY 13 1HA GLY 13 6.310 0.619 -11.279 145 2HA GLY 13 2HA GLY 13 6.609 -1.106 -11.502 146 QA GLY 13 QA GLY 13 6.460 -0.244 -11.391 147 H ALA 14 H ALA 14 4.381 -0.941 -9.010 148 HA ALA 14 HA ALA 14 2.153 -1.823 -10.523 149 1HB ALA 14 3HB ALA 14 2.505 -2.157 -8.087 150 2HB ALA 14 1HB ALA 14 2.142 -0.439 -7.816 151 3HB ALA 14 2HB ALA 14 0.896 -1.508 -8.473 152 QB ALA 14 QB ALA 14 1.848 -1.368 -8.125 153 H SER 15 H SER 15 0.819 -0.695 -11.872 154 HA SER 15 HA SER 15 0.892 2.234 -11.912 155 1HB SER 15 1HB SER 15 -0.497 2.063 -13.836 156 2HB SER 15 2HB SER 15 0.664 0.747 -13.984 157 HG SER 15 HG SER 15 -2.033 0.728 -13.764 158 QB SER 15 QB SER 15 0.083 1.405 -13.910 159 H ASP 16 H ASP 16 -1.320 3.348 -11.942 160 HA ASP 16 HA ASP 16 -2.223 3.293 -9.344 161 1HB ASP 16 1HB ASP 16 -3.791 4.977 -9.944 162 2HB ASP 16 2HB ASP 16 -2.359 5.223 -10.941 163 QB ASP 16 QB ASP 16 -3.075 5.100 -10.442 164 H GLU 17 H GLU 17 -3.623 1.492 -12.108 165 HA GLU 17 HA GLU 17 -5.991 0.778 -10.487 166 1HB GLU 17 1HB GLU 17 -5.731 1.134 -13.196 167 2HB GLU 17 2HB GLU 17 -5.627 -0.615 -13.080 168 1HG GLU 17 1HG GLU 17 -7.841 1.180 -11.983 169 2HG GLU 17 2HG GLU 17 -7.925 0.248 -13.466 170 QB GLU 17 QB GLU 17 -5.679 0.260 -13.138 171 QG GLU 17 QG GLU 17 -7.883 0.714 -12.725 172 H GLU 18 H GLU 18 -2.746 -0.382 -11.024 173 HA GLU 18 HA GLU 18 -3.395 -3.190 -10.496 174 1HB GLU 18 1HB GLU 18 -1.262 -2.053 -11.727 175 2HB GLU 18 2HB GLU 18 -0.636 -2.058 -10.080 176 1HG GLU 18 1HG GLU 18 -1.382 -4.497 -9.896 177 2HG GLU 18 2HG GLU 18 -1.688 -4.460 -11.632 178 QB GLU 18 QB GLU 18 -0.949 -2.056 -10.903 179 QG GLU 18 QG GLU 18 -1.535 -4.478 -10.764 180 H ILE 19 H ILE 19 -2.173 -0.261 -9.023 181 HA ILE 19 HA ILE 19 -1.998 -0.996 -6.342 182 HB ILE 19 HB ILE 19 -2.388 1.556 -7.837 183 1HG1 ILE 19 1HG1 ILE 19 -0.340 0.586 -5.817 184 2HG1 ILE 19 2HG1 ILE 19 -0.216 0.401 -7.560 185 1HG2 ILE 19 3HG2 ILE 19 -2.705 1.429 -4.810 186 2HG2 ILE 19 1HG2 ILE 19 -2.446 2.901 -5.788 187 3HG2 ILE 19 2HG2 ILE 19 -3.908 1.983 -5.980 188 1HD1 ILE 19 3HD1 ILE 19 -0.189 2.840 -7.853 189 2HD1 ILE 19 1HD1 ILE 19 -0.230 3.049 -6.082 190 3HD1 ILE 19 2HD1 ILE 19 1.148 2.242 -6.847 191 QG1 ILE 19 QG1 ILE 19 -0.278 0.493 -6.688 192 QG2 ILE 19 QG2 ILE 19 -3.020 2.104 -5.526 193 QD1 ILE 19 QD1 ILE 19 0.243 2.710 -6.927 194 H LYS 20 H LYS 20 -4.820 0.538 -7.987 195 HA LYS 20 HA LYS 20 -6.624 0.267 -5.888 196 1HB LYS 20 1HB LYS 20 -6.776 1.561 -8.100 197 2HB LYS 20 2HB LYS 20 -7.405 0.069 -8.805 198 1HG LYS 20 1HG LYS 20 -9.264 0.111 -7.120 199 2HG LYS 20 2HG LYS 20 -8.596 1.616 -6.447 200 1HD LYS 20 1HD LYS 20 -8.833 2.734 -8.628 201 2HD LYS 20 2HD LYS 20 -9.421 1.236 -9.349 202 1HE LYS 20 1HE LYS 20 -11.372 1.295 -7.763 203 2HE LYS 20 2HE LYS 20 -10.803 2.884 -7.205 204 1HZ LYS 20 2HZ LYS 20 -10.939 3.597 -9.562 205 2HZ LYS 20 3HZ LYS 20 -11.626 2.163 -9.954 206 3HZ LYS 20 1HZ LYS 20 -12.398 3.225 -8.920 207 QB LYS 20 QB LYS 20 -7.090 0.815 -8.453 208 QG LYS 20 QG LYS 20 -8.930 0.864 -6.783 209 QD LYS 20 QD LYS 20 -9.127 1.985 -8.989 210 QE LYS 20 QE LYS 20 -11.088 2.090 -7.484 211 QZ LYS 20 QZ LYS 20 -11.654 2.995 -9.479 212 H ARG 21 H ARG 21 -6.019 -2.088 -8.523 213 HA ARG 21 HA ARG 21 -7.947 -4.029 -7.883 214 1HB ARG 21 1HB ARG 21 -6.523 -3.990 -9.893 215 2HB ARG 21 2HB ARG 21 -5.095 -4.322 -8.940 216 1HG ARG 21 1HG ARG 21 -6.083 -6.538 -8.286 217 2HG ARG 21 2HG ARG 21 -7.434 -6.217 -9.384 218 1HD ARG 21 1HD ARG 21 -4.807 -5.749 -10.680 219 2HD ARG 21 2HD ARG 21 -4.914 -7.348 -9.984 220 HE ARG 21 HE ARG 21 -6.373 -7.986 -11.596 221 1HH1 ARG 21 2HH2 ARG 21 -6.400 -4.379 -11.596 222 2HH1 ARG 21 1HH2 ARG 21 -7.208 -4.286 -13.093 223 1HH2 ARG 21 2HH1 ARG 21 -7.407 -7.762 -13.649 224 2HH2 ARG 21 1HH1 ARG 21 -7.525 -6.178 -14.366 225 QB ARG 21 QB ARG 21 -5.809 -4.156 -9.416 226 QG ARG 21 QG ARG 21 -6.759 -6.378 -8.835 227 QD ARG 21 QD ARG 21 -4.860 -6.549 -10.332 228 QH1 ARG 21 QH2 ARG 21 -6.804 -4.332 -12.345 229 QH2 ARG 21 QH1 ARG 21 -7.466 -6.970 -14.007 230 H ALA 22 H ALA 22 -4.532 -3.850 -6.927 231 HA ALA 22 HA ALA 22 -4.479 -6.004 -5.110 232 1HB ALA 22 3HB ALA 22 -2.750 -3.545 -5.298 233 2HB ALA 22 1HB ALA 22 -2.401 -4.981 -4.301 234 3HB ALA 22 2HB ALA 22 -2.492 -5.131 -6.061 235 QB ALA 22 QB ALA 22 -2.547 -4.552 -5.220 236 H TYR 23 H TYR 23 -5.127 -2.472 -4.466 237 HA TYR 23 HA TYR 23 -5.348 -2.273 -1.844 238 1HB TYR 23 1HB TYR 23 -6.126 -0.915 -4.163 239 2HB TYR 23 2HB TYR 23 -7.659 -1.184 -3.455 240 HD1 TYR 23 2HD TYR 23 -4.249 0.150 -2.713 241 HD2 TYR 23 1HD TYR 23 -8.522 0.467 -2.149 242 HE1 TYR 23 2HE TYR 23 -3.943 2.387 -1.693 243 HE2 TYR 23 1HE TYR 23 -8.225 2.722 -1.184 244 HH TYR 23 HH TYR 23 -5.050 4.070 -0.464 245 QB TYR 23 QB TYR 23 -6.893 -1.049 -3.809 246 QG TYR 23 QD TYR 23 -6.386 0.308 -2.431 247 QZ TYR 23 QE TYR 23 -6.084 2.555 -1.438 248 QR TYR 23 QR TYR 23 -6.235 1.431 -1.935 249 H ARG 24 H ARG 24 -8.233 -3.051 -3.805 250 HA ARG 24 HA ARG 24 -9.780 -3.742 -1.521 251 1HB ARG 24 1HB ARG 24 -10.664 -2.988 -3.743 252 2HB ARG 24 2HB ARG 24 -10.250 -4.573 -4.422 253 1HG ARG 24 1HG ARG 24 -11.788 -5.661 -2.773 254 2HG ARG 24 2HG ARG 24 -12.150 -4.062 -2.087 255 1HD ARG 24 1HD ARG 24 -12.963 -3.345 -4.344 256 2HD ARG 24 2HD ARG 24 -12.736 -4.993 -4.936 257 HE ARG 24 HE ARG 24 -14.695 -3.972 -2.976 258 1HH1 ARG 24 2HH2 ARG 24 -13.352 -6.900 -4.391 259 2HH1 ARG 24 1HH2 ARG 24 -14.792 -7.847 -4.275 260 1HH2 ARG 24 2HH1 ARG 24 -16.584 -5.140 -2.675 261 2HH2 ARG 24 1HH1 ARG 24 -16.680 -6.841 -3.029 262 QB ARG 24 QB ARG 24 -10.457 -3.780 -4.082 263 QG ARG 24 QG ARG 24 -11.969 -4.862 -2.430 264 QD ARG 24 QD ARG 24 -12.850 -4.169 -4.640 265 QH1 ARG 24 QH2 ARG 24 -14.072 -7.373 -4.333 266 QH2 ARG 24 QH1 ARG 24 -16.632 -5.991 -2.852 267 H ARG 25 H ARG 25 -7.734 -5.688 -3.677 268 HA ARG 25 HA ARG 25 -8.632 -8.250 -2.767 269 1HB ARG 25 1HB ARG 25 -6.369 -7.154 -4.372 270 2HB ARG 25 2HB ARG 25 -5.953 -8.584 -3.465 271 1HG ARG 25 1HG ARG 25 -8.440 -8.494 -5.197 272 2HG ARG 25 2HG ARG 25 -6.850 -8.929 -5.843 273 1HD ARG 25 1HD ARG 25 -6.617 -10.742 -4.221 274 2HD ARG 25 2HD ARG 25 -8.143 -10.328 -3.453 275 HE ARG 25 HE ARG 25 -7.691 -11.942 -5.758 276 1HH1 ARG 25 2HH2 ARG 25 -10.096 -9.691 -4.374 277 2HH1 ARG 25 1HH2 ARG 25 -11.450 -10.655 -4.812 278 1HH2 ARG 25 2HH1 ARG 25 -9.523 -12.977 -6.729 279 2HH2 ARG 25 1HH1 ARG 25 -11.123 -12.488 -6.303 280 QB ARG 25 QB ARG 25 -6.161 -7.869 -3.918 281 QG ARG 25 QG ARG 25 -7.645 -8.711 -5.520 282 QD ARG 25 QD ARG 25 -7.380 -10.535 -3.837 283 QH1 ARG 25 QH2 ARG 25 -10.773 -10.173 -4.593 284 QH2 ARG 25 QH1 ARG 25 -10.323 -12.732 -6.516 285 H GLN 26 H GLN 26 -5.812 -6.207 -1.610 286 HA GLN 26 HA GLN 26 -5.057 -8.031 0.359 287 1HB GLN 26 1HB GLN 26 -4.011 -5.740 -0.852 288 2HB GLN 26 2HB GLN 26 -4.618 -5.030 0.611 289 1HG GLN 26 1HG GLN 26 -2.402 -5.571 0.994 290 2HG GLN 26 2HG GLN 26 -3.317 -6.842 1.837 291 1HE2 GLN 26 2HE2 GLN 26 -0.361 -8.292 -0.051 292 2HE2 GLN 26 1HE2 GLN 26 -0.499 -6.830 0.888 293 QB GLN 26 QB GLN 26 -4.315 -5.385 -0.121 294 QG GLN 26 QG GLN 26 -2.859 -6.207 1.415 295 QE2 GLN 26 QE2 GLN 26 -0.430 -7.561 0.418 296 H ALA 27 H ALA 27 -7.164 -5.098 0.434 297 HA ALA 27 HA ALA 27 -7.667 -5.095 3.194 298 1HB ALA 27 1HB ALA 27 -9.422 -4.307 0.812 299 2HB ALA 27 2HB ALA 27 -9.859 -3.993 2.498 300 3HB ALA 27 3HB ALA 27 -8.392 -3.266 1.822 301 QB ALA 27 QB ALA 27 -9.224 -3.856 1.711 302 H LEU 28 H LEU 28 -9.604 -6.634 0.551 303 HA LEU 28 HA LEU 28 -11.301 -8.131 2.315 304 1HB LEU 28 1HB LEU 28 -11.863 -7.232 0.041 305 2HB LEU 28 2HB LEU 28 -10.799 -8.443 -0.669 306 HG LEU 28 HG LEU 28 -12.283 -10.236 -0.032 307 1HD1 LEU 28 2HD1 LEU 28 -13.989 -8.151 1.391 308 2HD1 LEU 28 3HD1 LEU 28 -14.432 -9.851 1.117 309 3HD1 LEU 28 1HD1 LEU 28 -13.073 -9.456 2.168 310 1HD2 LEU 28 2HD2 LEU 28 -12.791 -8.942 -2.076 311 2HD2 LEU 28 3HD2 LEU 28 -14.245 -9.651 -1.345 312 3HD2 LEU 28 1HD2 LEU 28 -13.898 -7.917 -1.144 313 QB LEU 28 QB LEU 28 -11.331 -7.838 -0.314 314 QD1 LEU 28 QD1 LEU 28 -13.831 -9.153 1.559 315 QD2 LEU 28 QD2 LEU 28 -13.645 -8.837 -1.522 316 QQD LEU 28 QQD LEU 28 -13.738 -8.995 0.019 317 H ARG 29 H ARG 29 -8.074 -8.671 1.887 318 HA ARG 29 HA ARG 29 -8.325 -11.592 2.289 319 1HB ARG 29 1HB ARG 29 -6.454 -10.847 0.821 320 2HB ARG 29 2HB ARG 29 -5.916 -9.735 2.029 321 1HG ARG 29 1HG ARG 29 -4.503 -11.701 1.996 322 2HG ARG 29 2HG ARG 29 -5.288 -11.445 3.558 323 1HD ARG 29 1HD ARG 29 -6.929 -13.184 3.055 324 2HD ARG 29 2HD ARG 29 -6.165 -13.478 1.480 325 HE ARG 29 HE ARG 29 -4.068 -13.986 2.809 326 1HH1 ARG 29 2HH2 ARG 29 -7.322 -14.900 3.887 327 2HH1 ARG 29 1HH2 ARG 29 -6.758 -16.145 4.965 328 1HH2 ARG 29 2HH1 ARG 29 -3.314 -15.559 4.327 329 2HH2 ARG 29 1HH1 ARG 29 -4.469 -16.641 5.031 330 QB ARG 29 QB ARG 29 -6.185 -10.291 1.425 331 QG ARG 29 QG ARG 29 -4.896 -11.573 2.777 332 QD ARG 29 QD ARG 29 -6.547 -13.331 2.267 333 QH1 ARG 29 QH2 ARG 29 -7.040 -15.523 4.426 334 QH2 ARG 29 QH1 ARG 29 -3.892 -16.100 4.679 335 H TYR 30 H TYR 30 -6.465 -9.002 3.880 336 HA TYR 30 HA TYR 30 -6.626 -10.404 6.366 337 1HB TYR 30 1HB TYR 30 -5.318 -7.754 5.679 338 2HB TYR 30 2HB TYR 30 -4.932 -8.773 7.045 339 HD1 TYR 30 2HD TYR 30 -3.716 -10.992 6.677 340 HD2 TYR 30 1HD TYR 30 -4.367 -8.153 3.510 341 HE1 TYR 30 2HE TYR 30 -1.895 -12.034 5.357 342 HE2 TYR 30 1HE TYR 30 -2.497 -9.148 2.232 343 HH TYR 30 HH TYR 30 -0.825 -12.057 2.989 344 QB TYR 30 QB TYR 30 -5.125 -8.263 6.362 345 QG TYR 30 QD TYR 30 -4.042 -9.572 5.093 346 QZ TYR 30 QE TYR 30 -2.196 -10.591 3.795 347 QR TYR 30 QR TYR 30 -3.119 -10.082 4.444 348 H HIS 31 H HIS 31 -9.000 -8.416 5.254 349 HA HIS 31 HA HIS 31 -9.323 -6.268 6.751 350 1HB HIS 31 1HB HIS 31 -10.953 -7.800 5.067 351 2HB HIS 31 2HB HIS 31 -11.843 -7.820 6.528 352 HD1 HIS 31 1HD HIS 31 -12.103 -4.878 7.528 353 HD2 HIS 31 2HD HIS 31 -11.703 -5.994 3.470 354 HE1 HIS 31 1HE HIS 31 -13.090 -3.018 6.181 355 QB HIS 31 QB HIS 31 -11.398 -7.810 5.798 356 HA PRO 32 HA PRO 32 -9.978 -7.731 10.985 357 1HB PRO 32 1HB PRO 32 -10.978 -5.446 12.147 358 2HB PRO 32 2HB PRO 32 -9.246 -5.664 11.748 359 1HG PRO 32 1HG PRO 32 -11.370 -4.271 10.089 360 2HG PRO 32 2HG PRO 32 -9.733 -3.676 10.546 361 1HD PRO 32 1HD PRO 32 -10.136 -4.821 8.152 362 2HD PRO 32 2HD PRO 32 -8.672 -5.209 9.110 363 QB PRO 32 QB PRO 32 -10.112 -5.555 11.948 364 QG PRO 32 QG PRO 32 -10.551 -3.973 10.318 365 QD PRO 32 QD PRO 32 -9.404 -5.015 8.631 366 H ASP 33 H ASP 33 -12.382 -6.677 8.779 367 HA ASP 33 HA ASP 33 -14.711 -7.307 10.448 368 1HB ASP 33 1HB ASP 33 -14.902 -5.627 8.682 369 2HB ASP 33 2HB ASP 33 -14.302 -6.759 7.470 370 QB ASP 33 QB ASP 33 -14.602 -6.193 8.076 371 H LYS 34 H LYS 34 -13.079 -8.624 7.578 372 HA LYS 34 HA LYS 34 -14.733 -10.988 7.500 373 1HB LYS 34 1HB LYS 34 -14.060 -10.009 5.415 374 2HB LYS 34 2HB LYS 34 -12.358 -9.995 5.885 375 1HG LYS 34 1HG LYS 34 -12.245 -12.439 5.816 376 2HG LYS 34 2HG LYS 34 -13.970 -12.534 5.415 377 1HD LYS 34 1HD LYS 34 -13.618 -11.624 3.266 378 2HD LYS 34 2HD LYS 34 -12.029 -10.936 3.714 379 1HE LYS 34 1HE LYS 34 -10.999 -13.072 3.856 380 2HE LYS 34 2HE LYS 34 -12.548 -13.923 3.741 381 1HZ LYS 34 2HZ LYS 34 -12.773 -13.079 1.505 382 2HZ LYS 34 3HZ LYS 34 -11.294 -12.330 1.599 383 3HZ LYS 34 1HZ LYS 34 -11.423 -13.983 1.651 384 QB LYS 34 QB LYS 34 -13.209 -10.002 5.650 385 QG LYS 34 QG LYS 34 -13.107 -12.487 5.615 386 QD LYS 34 QD LYS 34 -12.823 -11.280 3.490 387 QE LYS 34 QE LYS 34 -11.773 -13.498 3.799 388 QZ LYS 34 QZ LYS 34 -11.830 -13.131 1.585 389 H ASN 35 H ASN 35 -11.172 -10.441 8.027 390 HA ASN 35 HA ASN 35 -10.870 -13.373 8.185 391 1HB ASN 35 1HB ASN 35 -9.163 -11.127 7.365 392 2HB ASN 35 2HB ASN 35 -8.372 -12.053 8.631 393 1HD2 ASN 35 2HD2 ASN 35 -7.165 -14.031 5.915 394 2HD2 ASN 35 1HD2 ASN 35 -6.696 -12.759 6.980 395 QB ASN 35 QB ASN 35 -8.767 -11.590 7.998 396 QD2 ASN 35 QD2 ASN 35 -6.931 -13.395 6.448 397 H LYS 36 H LYS 36 -10.641 -10.461 10.153 398 HA LYS 36 HA LYS 36 -10.369 -10.066 12.317 399 1HB LYS 36 1HB LYS 36 -11.870 -12.642 12.419 400 2HB LYS 36 2HB LYS 36 -11.540 -11.713 13.890 401 1HG LYS 36 1HG LYS 36 -12.751 -9.827 13.066 402 2HG LYS 36 2HG LYS 36 -13.062 -10.631 11.502 403 1HD LYS 36 1HD LYS 36 -14.330 -12.407 12.714 404 2HD LYS 36 2HD LYS 36 -14.036 -11.572 14.242 405 1HE LYS 36 1HE LYS 36 -15.653 -10.535 11.871 406 2HE LYS 36 2HE LYS 36 -16.279 -11.086 13.428 407 1HZ LYS 36 2HZ LYS 36 -14.971 -9.199 14.428 408 2HZ LYS 36 3HZ LYS 36 -14.731 -8.609 12.917 409 3HZ LYS 36 1HZ LYS 36 -16.235 -8.762 13.500 410 QB LYS 36 QB LYS 36 -11.705 -12.177 13.155 411 QG LYS 36 QG LYS 36 -12.906 -10.229 12.284 412 QD LYS 36 QD LYS 36 -14.183 -11.990 13.478 413 QE LYS 36 QE LYS 36 -15.966 -10.810 12.650 414 QZ LYS 36 QZ LYS 36 -15.312 -8.857 13.615 415 H GLU 37 H GLU 37 -8.161 -11.643 10.958 416 HA GLU 37 HA GLU 37 -7.466 -13.791 12.671 417 1HB GLU 37 1HB GLU 37 -7.318 -13.649 10.204 418 2HB GLU 37 2HB GLU 37 -6.006 -12.496 10.327 419 1HG GLU 37 1HG GLU 37 -5.759 -15.127 11.803 420 2HG GLU 37 2HG GLU 37 -5.703 -15.138 10.040 421 QB GLU 37 QB GLU 37 -6.662 -13.073 10.266 422 QG GLU 37 QG GLU 37 -5.731 -15.133 10.922 423 HA PRO 38 HA PRO 38 -5.652 -10.951 15.397 424 1HB PRO 38 1HB PRO 38 -4.713 -12.510 17.449 425 2HB PRO 38 2HB PRO 38 -6.432 -12.437 16.946 426 1HG PRO 38 1HG PRO 38 -4.406 -14.506 16.086 427 2HG PRO 38 2HG PRO 38 -6.003 -14.792 16.853 428 1HD PRO 38 1HD PRO 38 -5.708 -14.809 14.137 429 2HD PRO 38 2HD PRO 38 -7.173 -14.130 14.913 430 QB PRO 38 QB PRO 38 -5.572 -12.473 17.198 431 QG PRO 38 QG PRO 38 -5.204 -14.649 16.469 432 QD PRO 38 QD PRO 38 -6.440 -14.469 14.525 433 H GLY 39 H GLY 39 -3.867 -12.715 13.765 434 1HA GLY 39 1HA GLY 39 -1.161 -11.522 14.394 435 2HA GLY 39 2HA GLY 39 -1.373 -12.952 13.379 436 QA GLY 39 QA GLY 39 -1.267 -12.237 13.887 437 H ALA 40 H ALA 40 -3.834 -10.939 12.449 438 HA ALA 40 HA ALA 40 -2.257 -9.588 10.343 439 1HB ALA 40 1HB ALA 40 -3.882 -11.320 9.539 440 2HB ALA 40 2HB ALA 40 -5.191 -10.365 10.278 441 3HB ALA 40 3HB ALA 40 -4.222 -9.687 8.960 442 QB ALA 40 QB ALA 40 -4.432 -10.458 9.592 443 H GLU 41 H GLU 41 -3.349 -8.872 13.322 444 HA GLU 41 HA GLU 41 -5.013 -6.551 12.855 445 1HB GLU 41 1HB GLU 41 -5.041 -7.656 14.979 446 2HB GLU 41 2HB GLU 41 -3.311 -7.503 15.206 447 1HG GLU 41 1HG GLU 41 -4.923 -4.973 14.831 448 2HG GLU 41 2HG GLU 41 -5.123 -5.867 16.330 449 QB GLU 41 QB GLU 41 -4.176 -7.579 15.093 450 QG GLU 41 QG GLU 41 -5.023 -5.420 15.581 451 H GLU 42 H GLU 42 -1.562 -7.184 13.415 452 HA GLU 42 HA GLU 42 -0.673 -4.532 12.913 453 1HB GLU 42 1HB GLU 42 0.623 -6.132 14.233 454 2HB GLU 42 2HB GLU 42 0.798 -7.179 12.822 455 1HG GLU 42 1HG GLU 42 2.811 -5.982 13.130 456 2HG GLU 42 2HG GLU 42 2.091 -5.375 11.659 457 QB GLU 42 QB GLU 42 0.711 -6.656 13.527 458 QG GLU 42 QG GLU 42 2.451 -5.679 12.395 459 H LYS 43 H LYS 43 -0.758 -7.449 10.869 460 HA LYS 43 HA LYS 43 0.461 -6.317 8.646 461 1HB LYS 43 1HB LYS 43 -0.678 -8.774 9.125 462 2HB LYS 43 2HB LYS 43 -1.783 -8.132 7.910 463 1HG LYS 43 1HG LYS 43 0.287 -7.480 6.534 464 2HG LYS 43 2HG LYS 43 1.245 -8.415 7.691 465 1HD LYS 43 1HD LYS 43 -0.455 -10.347 7.129 466 2HD LYS 43 2HD LYS 43 -0.829 -9.336 5.721 467 1HE LYS 43 1HE LYS 43 1.908 -10.454 6.479 468 2HE LYS 43 2HE LYS 43 0.846 -11.077 5.207 469 1HZ LYS 43 2HZ LYS 43 1.062 -8.927 4.094 470 2HZ LYS 43 3HZ LYS 43 2.107 -8.399 5.216 471 3HZ LYS 43 1HZ LYS 43 2.522 -9.679 4.260 472 QB LYS 43 QB LYS 43 -1.230 -8.453 8.518 473 QG LYS 43 QG LYS 43 0.766 -7.948 7.112 474 QD LYS 43 QD LYS 43 -0.642 -9.842 6.425 475 QE LYS 43 QE LYS 43 1.377 -10.765 5.843 476 QZ LYS 43 QZ LYS 43 1.897 -9.002 4.523 477 H PHE 44 H PHE 44 -2.957 -6.305 9.499 478 HA PHE 44 HA PHE 44 -3.890 -4.804 7.248 479 1HB PHE 44 1HB PHE 44 -5.311 -6.012 8.875 480 2HB PHE 44 2HB PHE 44 -4.943 -4.800 10.088 481 HD1 PHE 44 1HD PHE 44 -6.607 -5.454 6.842 482 HD2 PHE 44 2HD PHE 44 -6.036 -2.574 10.018 483 HE1 PHE 44 1HE PHE 44 -8.522 -4.130 5.998 484 HE2 PHE 44 2HE PHE 44 -7.938 -1.261 9.156 485 1HZ PHE 44 HZ PHE 44 -9.198 -2.030 7.156 486 QB PHE 44 QB PHE 44 -5.127 -5.406 9.481 487 QG PHE 44 QD PHE 44 -6.321 -4.014 8.430 488 QZ PHE 44 QE PHE 44 -8.230 -2.696 7.577 489 QZ PHE 44 QR PHE 44 -7.660 -3.090 7.834 490 H LYS 45 H LYS 45 -2.627 -3.689 10.420 491 HA LYS 45 HA LYS 45 -2.942 -0.900 9.865 492 1HB LYS 45 1HB LYS 45 -2.633 -2.080 12.098 493 2HB LYS 45 2HB LYS 45 -0.904 -2.172 11.738 494 1HG LYS 45 1HG LYS 45 -0.714 0.241 11.745 495 2HG LYS 45 2HG LYS 45 -2.475 0.442 11.777 496 1HD LYS 45 1HD LYS 45 -2.598 -0.566 14.026 497 2HD LYS 45 2HD LYS 45 -0.876 -0.937 13.975 498 1HE LYS 45 1HE LYS 45 -0.999 0.989 15.301 499 2HE LYS 45 2HE LYS 45 -0.431 1.560 13.733 500 1HZ LYS 45 1HZ LYS 45 -2.791 2.226 13.285 501 2HZ LYS 45 2HZ LYS 45 -3.171 1.814 14.824 502 3HZ LYS 45 3HZ LYS 45 -2.091 3.008 14.558 503 QB LYS 45 QB LYS 45 -1.769 -2.126 11.918 504 QG LYS 45 QG LYS 45 -1.594 0.341 11.761 505 QD LYS 45 QD LYS 45 -1.737 -0.751 14.000 506 QE LYS 45 QE LYS 45 -0.715 1.275 14.517 507 QZ LYS 45 QZ LYS 45 -2.684 2.349 14.222 508 H GLU 46 H GLU 46 -0.392 -3.193 9.001 509 HA GLU 46 HA GLU 46 1.477 -1.307 7.945 510 1HB GLU 46 1HB GLU 46 1.366 -4.026 8.483 511 2HB GLU 46 2HB GLU 46 1.463 -4.032 6.748 512 1HG GLU 46 1HG GLU 46 3.393 -2.303 8.305 513 2HG GLU 46 2HG GLU 46 3.544 -4.037 8.481 514 QB GLU 46 QB GLU 46 1.415 -4.029 7.616 515 QG GLU 46 QG GLU 46 3.468 -3.170 8.393 516 H ILE 47 H ILE 47 -1.088 -3.361 6.432 517 HA ILE 47 HA ILE 47 -0.874 -2.437 3.778 518 HB ILE 47 HB ILE 47 -3.349 -3.396 5.237 519 1HG1 ILE 47 1HG1 ILE 47 -1.668 -4.862 3.166 520 2HG1 ILE 47 2HG1 ILE 47 -1.223 -4.933 4.858 521 1HG2 ILE 47 1HG2 ILE 47 -2.875 -3.028 2.233 522 2HG2 ILE 47 2HG2 ILE 47 -4.279 -3.830 2.939 523 3HG2 ILE 47 3HG2 ILE 47 -4.044 -2.132 3.236 524 1HD1 ILE 47 1HD1 ILE 47 -3.485 -5.764 5.432 525 2HD1 ILE 47 2HD1 ILE 47 -3.914 -5.772 3.720 526 3HD1 ILE 47 3HD1 ILE 47 -2.586 -6.806 4.307 527 QG1 ILE 47 QG1 ILE 47 -1.446 -4.898 4.012 528 QG2 ILE 47 QG2 ILE 47 -3.733 -2.996 2.803 529 QD1 ILE 47 QD1 ILE 47 -3.328 -6.114 4.487 530 H ALA 48 H ALA 48 -2.756 -1.115 6.518 531 HA ALA 48 HA ALA 48 -4.163 0.888 5.173 532 1HB ALA 48 3HB ALA 48 -4.569 0.079 7.501 533 2HB ALA 48 1HB ALA 48 -3.099 0.917 8.035 534 3HB ALA 48 2HB ALA 48 -4.475 1.844 7.408 535 QB ALA 48 QB ALA 48 -4.048 0.947 7.648 536 H GLU 49 H GLU 49 -0.815 0.854 6.316 537 HA GLU 49 HA GLU 49 -0.349 3.721 6.083 538 1HB GLU 49 1HB GLU 49 1.083 1.545 7.145 539 2HB GLU 49 2HB GLU 49 1.980 1.881 5.671 540 1HG GLU 49 1HG GLU 49 3.049 3.273 7.168 541 2HG GLU 49 2HG GLU 49 1.876 4.400 6.485 542 QB GLU 49 QB GLU 49 1.532 1.713 6.408 543 QG GLU 49 QG GLU 49 2.462 3.836 6.827 544 H ALA 50 H ALA 50 0.189 0.853 4.047 545 HA ALA 50 HA ALA 50 1.375 2.358 1.851 546 1HB ALA 50 2HB ALA 50 1.777 -0.092 2.276 547 2HB ALA 50 3HB ALA 50 0.080 -0.414 1.880 548 3HB ALA 50 1HB ALA 50 1.153 0.251 0.636 549 QB ALA 50 QB ALA 50 1.003 -0.085 1.597 550 H TYR 51 H TYR 51 -1.862 1.445 2.874 551 HA TYR 51 HA TYR 51 -3.284 1.662 0.473 552 1HB TYR 51 1HB TYR 51 -3.808 0.966 3.067 553 2HB TYR 51 2HB TYR 51 -4.495 2.551 3.095 554 HD1 TYR 51 1HD TYR 51 -4.457 -0.758 1.517 555 HD2 TYR 51 2HD TYR 51 -6.768 2.824 2.145 556 HE1 TYR 51 1HE TYR 51 -6.491 -1.983 0.808 557 HE2 TYR 51 2HE TYR 51 -8.808 1.612 1.469 558 HH TYR 51 HH TYR 51 -9.731 -0.503 1.018 559 QB TYR 51 QB TYR 51 -4.151 1.758 3.081 560 QG TYR 51 QD TYR 51 -5.613 1.033 1.831 561 QZ TYR 51 QE TYR 51 -7.650 -0.185 1.138 562 QR TYR 51 QR TYR 51 -6.631 0.424 1.485 563 H ASP 52 H ASP 52 -2.609 4.016 3.111 564 HA ASP 52 HA ASP 52 -3.799 6.274 1.911 565 1HB ASP 52 1HB ASP 52 -3.118 6.111 4.311 566 2HB ASP 52 2HB ASP 52 -1.428 6.243 3.815 567 QB ASP 52 QB ASP 52 -2.273 6.177 4.063 568 H VAL 53 H VAL 53 -0.347 5.279 1.938 569 HA VAL 53 HA VAL 53 0.656 7.416 0.407 570 HB VAL 53 HB VAL 53 1.551 4.531 0.853 571 1HG1 VAL 53 1HG1 VAL 53 3.138 6.620 -0.696 572 2HG1 VAL 53 2HG1 VAL 53 3.768 5.050 -0.095 573 3HG1 VAL 53 3HG1 VAL 53 2.524 5.099 -1.324 574 1HG2 VAL 53 1HG2 VAL 53 1.657 6.179 2.702 575 2HG2 VAL 53 2HG2 VAL 53 3.249 5.542 2.214 576 3HG2 VAL 53 3HG2 VAL 53 2.741 7.179 1.703 577 QG1 VAL 53 QG1 VAL 53 3.143 5.590 -0.705 578 QG2 VAL 53 QG2 VAL 53 2.549 6.300 2.207 579 QQG VAL 53 QQG VAL 53 2.846 5.945 0.751 580 H LEU 54 H LEU 54 -0.525 4.174 -0.677 581 HA LEU 54 HA LEU 54 0.239 4.712 -3.360 582 1HB LEU 54 1HB LEU 54 -1.217 2.466 -2.019 583 2HB LEU 54 2HB LEU 54 -1.282 2.700 -3.727 584 HG LEU 54 HG LEU 54 0.974 2.430 -4.142 585 1HD1 LEU 54 3HD1 LEU 54 1.451 2.570 -1.162 586 2HD1 LEU 54 1HD1 LEU 54 2.559 1.705 -2.235 587 3HD1 LEU 54 2HD1 LEU 54 2.264 3.409 -2.512 588 1HD2 LEU 54 2HD2 LEU 54 -0.526 0.392 -3.565 589 2HD2 LEU 54 3HD2 LEU 54 1.218 0.178 -3.713 590 3HD2 LEU 54 1HD2 LEU 54 0.474 0.282 -2.097 591 QB LEU 54 QB LEU 54 -1.249 2.583 -2.873 592 QD1 LEU 54 QD1 LEU 54 2.091 2.561 -1.970 593 QD2 LEU 54 QD2 LEU 54 0.388 0.284 -3.125 594 QQD LEU 54 QQD LEU 54 1.240 1.423 -2.547 595 H SER 55 H SER 55 -2.085 6.281 -1.678 596 HA SER 55 HA SER 55 -3.789 6.559 -4.115 597 1HB SER 55 1HB SER 55 -5.652 6.885 -2.827 598 2HB SER 55 2HB SER 55 -4.849 5.448 -2.266 599 HG SER 55 HG SER 55 -3.822 6.865 -0.607 600 QB SER 55 QB SER 55 -5.250 6.166 -2.546 601 H ASP 56 H ASP 56 -2.053 8.437 -1.504 602 HA ASP 56 HA ASP 56 -3.099 10.881 -2.668 603 1HB ASP 56 1HB ASP 56 -2.652 10.827 -0.295 604 2HB ASP 56 2HB ASP 56 -0.948 10.444 -0.573 605 QB ASP 56 QB ASP 56 -1.800 10.636 -0.434 606 HA PRO 57 HA PRO 57 0.019 10.669 -5.820 607 1HB PRO 57 1HB PRO 57 -0.516 12.926 -7.268 608 2HB PRO 57 2HB PRO 57 -1.615 11.515 -7.221 609 1HG PRO 57 1HG PRO 57 -1.778 14.046 -5.551 610 2HG PRO 57 2HG PRO 57 -3.081 13.272 -6.512 611 1HD PRO 57 1HD PRO 57 -2.804 12.817 -3.847 612 2HD PRO 57 2HD PRO 57 -3.303 11.504 -4.957 613 QB PRO 57 QB PRO 57 -1.066 12.221 -7.245 614 QG PRO 57 QG PRO 57 -2.429 13.659 -6.031 615 QD PRO 57 QD PRO 57 -3.053 12.160 -4.402 616 H ARG 58 H ARG 58 0.081 13.229 -3.393 617 HA ARG 58 HA ARG 58 2.628 14.355 -4.459 618 1HB ARG 58 1HB ARG 58 1.597 14.924 -1.680 619 2HB ARG 58 2HB ARG 58 2.643 15.863 -2.713 620 1HG ARG 58 1HG ARG 58 0.822 17.176 -2.786 621 2HG ARG 58 2HG ARG 58 0.416 16.163 -4.176 622 1HD ARG 58 1HD ARG 58 -1.187 14.914 -2.881 623 2HD ARG 58 2HD ARG 58 -0.484 15.457 -1.354 624 HE ARG 58 HE ARG 58 -1.593 17.551 -3.056 625 1HH1 ARG 58 2HH2 ARG 58 -2.384 15.206 -0.497 626 2HH1 ARG 58 1HH2 ARG 58 -3.721 16.136 0.122 627 1HH2 ARG 58 2HH1 ARG 58 -3.267 18.848 -2.110 628 2HH2 ARG 58 1HH1 ARG 58 -4.259 18.181 -0.856 629 QB ARG 58 QB ARG 58 2.120 15.393 -2.196 630 QG ARG 58 QG ARG 58 0.619 16.670 -3.481 631 QD ARG 58 QD ARG 58 -0.836 15.186 -2.117 632 QH1 ARG 58 QH2 ARG 58 -3.053 15.671 -0.188 633 QH2 ARG 58 QH1 ARG 58 -3.763 18.515 -1.483 634 H LYS 59 H LYS 59 1.282 12.301 -1.825 635 HA LYS 59 HA LYS 59 3.800 11.984 -0.537 636 1HB LYS 59 1HB LYS 59 1.404 11.591 0.389 637 2HB LYS 59 2HB LYS 59 1.395 10.076 -0.518 638 1HG LYS 59 1HG LYS 59 2.025 9.458 1.664 639 2HG LYS 59 2HG LYS 59 3.529 9.458 0.748 640 1HD LYS 59 1HD LYS 59 3.522 12.057 1.696 641 2HD LYS 59 2HD LYS 59 2.591 11.231 2.958 642 1HE LYS 59 1HE LYS 59 4.451 9.494 3.007 643 2HE LYS 59 2HE LYS 59 5.370 10.571 1.938 644 1HZ LYS 59 1HZ LYS 59 5.080 12.298 3.743 645 2HZ LYS 59 2HZ LYS 59 4.450 11.153 4.700 646 3HZ LYS 59 3HZ LYS 59 6.021 11.004 4.176 647 QB LYS 59 QB LYS 59 1.399 10.833 -0.065 648 QG LYS 59 QG LYS 59 2.777 9.458 1.206 649 QD LYS 59 QD LYS 59 3.056 11.644 2.327 650 QE LYS 59 QE LYS 59 4.910 10.032 2.473 651 QZ LYS 59 QZ LYS 59 5.184 11.485 4.206 652 H ARG 60 H ARG 60 1.998 9.950 -2.866 653 HA ARG 60 HA ARG 60 4.188 8.143 -3.209 654 1HB ARG 60 1HB ARG 60 1.520 8.198 -4.078 655 2HB ARG 60 2HB ARG 60 2.445 8.319 -5.589 656 1HG ARG 60 1HG ARG 60 3.823 6.355 -4.873 657 2HG ARG 60 2HG ARG 60 2.937 6.335 -3.338 658 1HD ARG 60 1HD ARG 60 1.895 4.716 -4.425 659 2HD ARG 60 2HD ARG 60 0.813 6.083 -4.788 660 HE ARG 60 HE ARG 60 2.871 4.787 -6.539 661 1HH1 ARG 60 2HH2 ARG 60 -0.181 6.768 -6.641 662 2HH1 ARG 60 1HH2 ARG 60 -0.082 6.818 -8.360 663 1HH2 ARG 60 2HH1 ARG 60 2.636 4.639 -8.765 664 2HH2 ARG 60 1HH1 ARG 60 1.273 5.333 -9.551 665 QB ARG 60 QB ARG 60 1.983 8.258 -4.834 666 QG ARG 60 QG ARG 60 3.380 6.345 -4.105 667 QD ARG 60 QD ARG 60 1.354 5.399 -4.606 668 QH1 ARG 60 QH2 ARG 60 -0.132 6.793 -7.500 669 QH2 ARG 60 QH1 ARG 60 1.955 4.986 -9.158 670 H GLU 61 H GLU 61 3.933 11.404 -4.480 671 HA GLU 61 HA GLU 61 5.603 11.031 -6.777 672 1HB GLU 61 1HB GLU 61 4.353 13.121 -6.144 673 2HB GLU 61 2HB GLU 61 5.514 13.401 -4.855 674 1HG GLU 61 1HG GLU 61 6.255 13.155 -7.783 675 2HG GLU 61 2HG GLU 61 5.874 14.675 -6.997 676 QB GLU 61 QB GLU 61 4.934 13.261 -5.499 677 QG GLU 61 QG GLU 61 6.065 13.915 -7.390 678 H ILE 62 H ILE 62 6.188 11.305 -3.294 679 HA ILE 62 HA ILE 62 9.003 11.456 -3.459 680 HB ILE 62 HB ILE 62 7.477 10.321 -1.092 681 1HG1 ILE 62 1HG1 ILE 62 7.713 13.264 -1.869 682 2HG1 ILE 62 2HG1 ILE 62 6.231 12.324 -1.801 683 1HG2 ILE 62 1HG2 ILE 62 9.982 10.368 -1.054 684 2HG2 ILE 62 2HG2 ILE 62 9.926 12.134 -1.261 685 3HG2 ILE 62 3HG2 ILE 62 9.258 11.369 0.195 686 1HD1 ILE 62 3HD1 ILE 62 6.551 11.965 0.636 687 2HD1 ILE 62 1HD1 ILE 62 7.908 13.116 0.581 688 3HD1 ILE 62 2HD1 ILE 62 6.281 13.656 0.148 689 QG1 ILE 62 QG1 ILE 62 6.972 12.794 -1.835 690 QG2 ILE 62 QG2 ILE 62 9.722 11.290 -0.707 691 QD1 ILE 62 QD1 ILE 62 6.913 12.912 0.455 692 H PHE 63 H PHE 63 6.706 8.729 -3.396 693 HA PHE 63 HA PHE 63 8.811 6.717 -3.128 694 1HB PHE 63 1HB PHE 63 6.333 6.411 -2.478 695 2HB PHE 63 2HB PHE 63 6.047 6.153 -4.194 696 HD1 PHE 63 2HD PHE 63 7.414 4.257 -5.376 697 HD2 PHE 63 1HD PHE 63 7.115 4.641 -1.081 698 HE1 PHE 63 2HE PHE 63 8.187 1.949 -5.118 699 HE2 PHE 63 1HE PHE 63 7.894 2.282 -0.847 700 1HZ PHE 63 HZ PHE 63 8.441 0.939 -2.820 701 QB PHE 63 QB PHE 63 6.190 6.282 -3.336 702 QG PHE 63 QD PHE 63 7.264 4.449 -3.228 703 QZ PHE 63 QE PHE 63 8.040 2.116 -2.982 704 QZ PHE 63 QR PHE 63 7.810 2.814 -3.048 705 H ASP 64 H ASP 64 7.127 8.377 -5.872 706 HA ASP 64 HA ASP 64 8.197 6.624 -7.865 707 1HB ASP 64 1HB ASP 64 6.300 8.192 -8.262 708 2HB ASP 64 2HB ASP 64 7.444 9.546 -8.242 709 QB ASP 64 QB ASP 64 6.872 8.869 -8.252 710 H ARG 65 H ARG 65 9.318 9.827 -6.689 711 HA ARG 65 HA ARG 65 11.714 9.892 -8.249 712 1HB ARG 65 1HB ARG 65 10.996 11.940 -7.457 713 2HB ARG 65 2HB ARG 65 10.677 11.327 -5.855 714 1HG ARG 65 1HG ARG 65 12.523 12.866 -5.760 715 2HG ARG 65 2HG ARG 65 13.045 11.255 -5.314 716 1HD ARG 65 1HD ARG 65 13.544 11.391 -8.061 717 2HD ARG 65 2HD ARG 65 13.998 12.990 -7.457 718 HE ARG 65 HE ARG 65 15.357 11.699 -5.696 719 1HH1 ARG 65 2HH2 ARG 65 15.168 10.816 -9.097 720 2HH1 ARG 65 1HH2 ARG 65 16.371 9.563 -8.986 721 1HH2 ARG 65 2HH1 ARG 65 16.880 9.954 -5.487 722 2HH2 ARG 65 1HH1 ARG 65 17.317 9.022 -6.855 723 QB ARG 65 QB ARG 65 10.837 11.634 -6.656 724 QG ARG 65 QG ARG 65 12.784 12.060 -5.537 725 QD ARG 65 QD ARG 65 13.771 12.190 -7.759 726 QH1 ARG 65 QH2 ARG 65 15.770 10.189 -9.042 727 QH2 ARG 65 QH1 ARG 65 17.098 9.488 -6.171 728 H TYR 66 H TYR 66 11.311 9.177 -4.763 729 HA TYR 66 HA TYR 66 14.069 8.152 -4.664 730 1HB TYR 66 1HB TYR 66 12.030 8.492 -2.445 731 2HB TYR 66 2HB TYR 66 13.696 8.029 -2.255 732 HD1 TYR 66 1HD TYR 66 15.524 9.579 -2.510 733 HD2 TYR 66 2HD TYR 66 11.440 10.891 -2.923 734 HE1 TYR 66 1HE TYR 66 16.288 11.918 -2.511 735 HE2 TYR 66 2HE TYR 66 12.189 13.247 -2.918 736 HH TYR 66 HH TYR 66 15.671 14.123 -2.674 737 QB TYR 66 QB TYR 66 12.863 8.260 -2.350 738 QG TYR 66 QD TYR 66 13.482 10.235 -2.717 739 QZ TYR 66 QE TYR 66 14.239 12.583 -2.714 740 QR TYR 66 QR TYR 66 13.860 11.409 -2.716 741 H GLY 67 H GLY 67 10.956 6.858 -3.413 742 1HA GLY 67 1HA GLY 67 10.073 4.692 -3.697 743 2HA GLY 67 2HA GLY 67 11.542 4.183 -4.518 744 QA GLY 67 QA GLY 67 10.807 4.437 -4.108 745 H GLU 68 H GLU 68 9.761 4.039 -1.723 746 HA GLU 68 HA GLU 68 9.924 3.296 0.355 747 1HB GLU 68 1HB GLU 68 10.484 1.260 -0.520 748 2HB GLU 68 2HB GLU 68 12.117 1.724 -0.951 749 1HG GLU 68 1HG GLU 68 12.045 0.161 0.944 750 2HG GLU 68 2HG GLU 68 12.865 1.670 1.304 751 QB GLU 68 QB GLU 68 11.301 1.492 -0.735 752 QG GLU 68 QG GLU 68 12.455 0.915 1.124 753 H GLU 69 H GLU 69 13.366 4.080 -0.422 754 HA GLU 69 HA GLU 69 14.078 5.008 2.110 755 1HB GLU 69 1HB GLU 69 15.979 6.015 1.066 756 2HB GLU 69 2HB GLU 69 15.618 4.497 0.253 757 1HG GLU 69 1HG GLU 69 14.397 5.933 -1.522 758 2HG GLU 69 2HG GLU 69 15.167 7.320 -0.739 759 QB GLU 69 QB GLU 69 15.798 5.256 0.659 760 QG GLU 69 QG GLU 69 14.782 6.626 -1.130 761 H GLY 70 H GLY 70 12.613 6.877 -0.560 762 1HA GLY 70 1HA GLY 70 12.705 9.396 0.841 763 2HA GLY 70 2HA GLY 70 11.703 9.046 -0.538 764 QA GLY 70 QA GLY 70 12.204 9.221 0.151 765 H LEU 71 H LEU 71 10.585 6.616 1.139 766 HA LEU 71 HA LEU 71 8.342 8.287 2.097 767 1HB LEU 71 1HB LEU 71 8.230 6.155 0.503 768 2HB LEU 71 2HB LEU 71 8.223 5.290 2.023 769 HG LEU 71 HG LEU 71 5.962 5.589 1.392 770 1HD1 LEU 71 2HD1 LEU 71 6.340 6.158 3.801 771 2HD1 LEU 71 3HD1 LEU 71 6.386 7.877 3.366 772 3HD1 LEU 71 1HD1 LEU 71 4.918 6.940 3.111 773 1HD2 LEU 71 1HD2 LEU 71 6.357 7.342 -0.328 774 2HD2 LEU 71 2HD2 LEU 71 4.948 7.669 0.678 775 3HD2 LEU 71 3HD2 LEU 71 6.453 8.566 0.948 776 QB LEU 71 QB LEU 71 8.227 5.722 1.263 777 QD1 LEU 71 QD1 LEU 71 5.881 6.992 3.426 778 QD2 LEU 71 QD2 LEU 71 5.919 7.859 0.433 779 QQD LEU 71 QQD LEU 71 5.900 7.425 1.929 780 H LYS 72 H LYS 72 10.322 5.450 3.197 781 HA LYS 72 HA LYS 72 9.355 5.838 5.917 782 1HB LYS 72 1HB LYS 72 9.817 3.606 4.760 783 2HB LYS 72 2HB LYS 72 11.534 3.918 4.976 784 1HG LYS 72 1HG LYS 72 9.651 4.084 7.349 785 2HG LYS 72 2HG LYS 72 10.056 2.503 6.719 786 1HD LYS 72 1HD LYS 72 12.203 2.522 7.447 787 2HD LYS 72 2HD LYS 72 12.432 4.245 7.233 788 1HE LYS 72 1HE LYS 72 10.776 3.003 9.484 789 2HE LYS 72 2HE LYS 72 12.467 3.511 9.622 790 1HZ LYS 72 3HZ LYS 72 11.692 5.774 8.956 791 2HZ LYS 72 1HZ LYS 72 10.141 5.252 9.136 792 3HZ LYS 72 2HZ LYS 72 11.125 5.273 10.426 793 QB LYS 72 QB LYS 72 10.676 3.762 4.868 794 QG LYS 72 QG LYS 72 9.854 3.294 7.034 795 QD LYS 72 QD LYS 72 12.317 3.383 7.340 796 QE LYS 72 QE LYS 72 11.622 3.257 9.553 797 QZ LYS 72 QZ LYS 72 10.986 5.433 9.506 798 H GLY 73 H GLY 73 12.148 6.889 4.135 799 1HA GLY 73 1HA GLY 73 14.020 6.942 6.256 800 2HA GLY 73 2HA GLY 73 14.132 7.863 4.752 801 QA GLY 73 QA GLY 73 14.076 7.403 5.504 802 H SER 74 H SER 74 13.409 7.984 8.102 803 HA SER 74 HA SER 74 12.957 9.558 9.589 804 1HB SER 74 1HB SER 74 13.650 11.959 9.122 805 2HB SER 74 2HB SER 74 14.900 10.719 9.103 806 HG SER 74 HG SER 74 13.878 11.005 6.630 807 QB SER 74 QB SER 74 14.275 11.339 9.113 808 H GLY 75 H GLY 75 12.067 12.150 7.383 809 1HA GLY 75 1HA GLY 75 9.414 11.565 6.813 810 2HA GLY 75 2HA GLY 75 9.460 12.269 8.448 811 QA GLY 75 QA GLY 75 9.437 11.917 7.631 812 H CYS 76 H CYS 76 8.160 13.872 6.922 813 HA CYS 76 HA CYS 76 9.958 16.109 6.228 814 1HB CYS 76 1HB CYS 76 8.332 16.575 4.308 815 2HB CYS 76 2HB CYS 76 9.525 15.313 4.023 816 HG CYS 76 HG CYS 76 6.521 14.857 5.267 817 QB CYS 76 QB CYS 76 8.928 15.944 4.165 No H/Q in entry = 817 Start of MODEL 6 1 H MET 0 H MET 0 8.356 0.484 9.401 2 HA MET 0 HA MET 0 6.403 -0.988 9.371 3 1HB MET 0 1HB MET 0 4.286 -0.312 10.097 4 2HB MET 0 2HB MET 0 5.371 0.134 11.413 5 1HG MET 0 1HG MET 0 4.177 1.980 9.307 6 2HG MET 0 2HG MET 0 3.686 1.870 10.988 7 1HE MET 0 2HE MET 0 4.080 4.572 9.801 8 2HE MET 0 3HE MET 0 5.665 5.363 9.947 9 3HE MET 0 1HE MET 0 5.364 4.194 8.642 10 QB MET 0 QB MET 0 4.828 -0.089 10.755 11 QG MET 0 QG MET 0 3.932 1.925 10.147 12 QE MET 0 QE MET 0 5.037 4.710 9.463 13 H GLY 1 H GLY 1 6.891 2.427 8.276 14 1HA GLY 1 1HA GLY 1 5.472 1.929 5.781 15 2HA GLY 1 2HA GLY 1 6.519 3.293 6.204 16 QA GLY 1 QA GLY 1 5.996 2.611 5.992 17 H LYS 2 H LYS 2 7.217 -0.224 6.287 18 HA LYS 2 HA LYS 2 9.682 0.061 4.734 19 1HB LYS 2 1HB LYS 2 9.863 -2.335 5.161 20 2HB LYS 2 2HB LYS 2 9.495 -1.499 6.646 21 1HG LYS 2 1HG LYS 2 8.079 -3.276 6.871 22 2HG LYS 2 2HG LYS 2 6.980 -2.190 6.060 23 1HD LYS 2 1HD LYS 2 8.362 -3.535 3.965 24 2HD LYS 2 2HD LYS 2 8.098 -4.771 5.195 25 1HE LYS 2 1HE LYS 2 5.684 -4.308 5.186 26 2HE LYS 2 2HE LYS 2 5.911 -2.923 4.127 27 1HZ LYS 2 2HZ LYS 2 6.763 -4.412 2.428 28 2HZ LYS 2 3HZ LYS 2 6.511 -5.714 3.379 29 3HZ LYS 2 1HZ LYS 2 5.226 -4.805 2.861 30 QB LYS 2 QB LYS 2 9.679 -1.917 5.903 31 QG LYS 2 QG LYS 2 7.530 -2.733 6.465 32 QD LYS 2 QD LYS 2 8.230 -4.153 4.580 33 QE LYS 2 QE LYS 2 5.797 -3.615 4.657 34 QZ LYS 2 QZ LYS 2 6.167 -4.977 2.889 35 H ASP 3 H ASP 3 9.740 -0.342 2.454 36 HA ASP 3 HA ASP 3 8.960 -0.103 0.400 37 1HB ASP 3 1HB ASP 3 6.828 -2.103 0.801 38 2HB ASP 3 2HB ASP 3 7.986 -1.912 -0.502 39 QB ASP 3 QB ASP 3 7.407 -2.007 0.150 40 H TYR 4 H TYR 4 6.502 -0.289 -0.824 41 HA TYR 4 HA TYR 4 4.345 0.514 0.829 42 1HB TYR 4 1HB TYR 4 5.087 2.577 -1.275 43 2HB TYR 4 2HB TYR 4 3.510 2.449 -0.495 44 HD1 TYR 4 1HD TYR 4 3.526 2.425 2.192 45 HD2 TYR 4 2HD TYR 4 6.715 3.907 -0.267 46 HE1 TYR 4 1HE TYR 4 4.509 3.531 4.161 47 HE2 TYR 4 2HE TYR 4 7.770 4.938 1.705 48 HH TYR 4 HH TYR 4 7.707 5.156 3.924 49 QB TYR 4 QB TYR 4 4.298 2.513 -0.885 50 QG TYR 4 QD TYR 4 5.120 3.166 0.962 51 QZ TYR 4 QE TYR 4 6.139 4.235 2.933 52 QR TYR 4 QR TYR 4 5.630 3.700 1.948 53 H TYR 5 H TYR 5 5.406 0.469 -2.627 54 HA TYR 5 HA TYR 5 3.220 -0.492 -3.938 55 1HB TYR 5 1HB TYR 5 6.186 -0.899 -4.141 56 2HB TYR 5 2HB TYR 5 5.240 -2.113 -4.936 57 HD1 TYR 5 2HD TYR 5 2.967 -0.322 -6.100 58 HD2 TYR 5 1HD TYR 5 7.294 -0.103 -6.048 59 HE1 TYR 5 2HE TYR 5 2.948 0.683 -8.340 60 HE2 TYR 5 1HE TYR 5 7.266 0.949 -8.267 61 HH TYR 5 HH TYR 5 4.302 1.172 -10.228 62 QB TYR 5 QB TYR 5 5.713 -1.506 -4.539 63 QG TYR 5 QD TYR 5 5.130 -0.212 -6.074 64 QZ TYR 5 QE TYR 5 5.107 0.816 -8.303 65 QR TYR 5 QR TYR 5 5.119 0.302 -7.189 66 H GLN 6 H GLN 6 5.708 -2.735 -2.608 67 HA GLN 6 HA GLN 6 3.945 -4.908 -3.024 68 1HB GLN 6 1HB GLN 6 6.516 -4.699 -3.065 69 2HB GLN 6 2HB GLN 6 6.484 -4.922 -1.327 70 1HG GLN 6 1HG GLN 6 5.843 -7.164 -1.498 71 2HG GLN 6 2HG GLN 6 4.960 -6.900 -2.977 72 1HE2 GLN 6 2HE2 GLN 6 8.934 -7.981 -3.151 73 2HE2 GLN 6 1HE2 GLN 6 8.148 -7.634 -1.633 74 QB GLN 6 QB GLN 6 6.500 -4.811 -2.196 75 QG GLN 6 QG GLN 6 5.402 -7.032 -2.238 76 QE2 GLN 6 QE2 GLN 6 8.541 -7.808 -2.392 77 H THR 7 H THR 7 4.358 -2.865 -0.263 78 HA THR 7 HA THR 7 3.207 -4.546 1.732 79 HB THR 7 HB THR 7 2.825 -1.545 1.498 80 HG1 THR 7 1HG THR 7 4.807 -1.404 2.540 81 1HG2 THR 7 3HG2 THR 7 3.143 -3.410 3.896 82 2HG2 THR 7 1HG2 THR 7 3.020 -1.641 3.986 83 3HG2 THR 7 2HG2 THR 7 1.650 -2.581 3.412 84 QG2 THR 7 QG2 THR 7 2.605 -2.544 3.765 85 H LEU 8 H LEU 8 1.770 -3.060 -1.054 86 HA LEU 8 HA LEU 8 -0.964 -3.989 -0.211 87 1HB LEU 8 1HB LEU 8 -0.353 -1.503 -0.697 88 2HB LEU 8 2HB LEU 8 -0.206 -1.971 -2.375 89 HG LEU 8 HG LEU 8 -2.274 -0.749 -1.530 90 1HD1 LEU 8 1HD1 LEU 8 -2.189 -1.865 -3.764 91 2HD1 LEU 8 2HD1 LEU 8 -3.036 -3.246 -3.023 92 3HD1 LEU 8 3HD1 LEU 8 -3.790 -1.655 -3.066 93 1HD2 LEU 8 2HD2 LEU 8 -2.665 -2.106 0.466 94 2HD2 LEU 8 3HD2 LEU 8 -4.092 -1.988 -0.572 95 3HD2 LEU 8 1HD2 LEU 8 -3.139 -3.485 -0.563 96 QB LEU 8 QB LEU 8 -0.279 -1.737 -1.536 97 QD1 LEU 8 QD1 LEU 8 -3.005 -2.255 -3.284 98 QD2 LEU 8 QD2 LEU 8 -3.299 -2.526 -0.223 99 QQD LEU 8 QQD LEU 8 -3.152 -2.391 -1.754 100 H GLY 9 H GLY 9 1.533 -5.346 -1.499 101 1HA GLY 9 1HA GLY 9 1.560 -7.348 -2.611 102 2HA GLY 9 2HA GLY 9 -0.075 -7.053 -3.211 103 QA GLY 9 QA GLY 9 0.743 -7.201 -2.911 104 H LEU 10 H LEU 10 1.882 -4.330 -3.943 105 HA LEU 10 HA LEU 10 2.012 -5.219 -6.723 106 1HB LEU 10 1HB LEU 10 2.393 -2.508 -5.483 107 2HB LEU 10 2HB LEU 10 2.738 -2.848 -7.141 108 HG LEU 10 HG LEU 10 0.591 -2.141 -7.421 109 1HD1 LEU 10 2HD1 LEU 10 0.495 -4.533 -8.190 110 2HD1 LEU 10 3HD1 LEU 10 -0.099 -4.997 -6.571 111 3HD1 LEU 10 1HD1 LEU 10 -1.072 -3.945 -7.558 112 1HD2 LEU 10 1HD2 LEU 10 0.222 -1.673 -5.080 113 2HD2 LEU 10 2HD2 LEU 10 -1.196 -2.484 -5.812 114 3HD2 LEU 10 3HD2 LEU 10 -0.105 -3.401 -4.771 115 QB LEU 10 QB LEU 10 2.565 -2.678 -6.312 116 QD1 LEU 10 QD1 LEU 10 -0.225 -4.492 -7.439 117 QD2 LEU 10 QD2 LEU 10 -0.360 -2.519 -5.221 118 QQD LEU 10 QQD LEU 10 -0.292 -3.506 -6.330 119 H ALA 11 H ALA 11 4.158 -3.969 -7.851 120 HA ALA 11 HA ALA 11 6.581 -4.527 -6.398 121 1HB ALA 11 3HB ALA 11 5.881 -6.092 -8.925 122 2HB ALA 11 1HB ALA 11 7.481 -6.034 -8.157 123 3HB ALA 11 2HB ALA 11 6.122 -6.770 -7.300 124 QB ALA 11 QB ALA 11 6.495 -6.299 -8.128 125 H ARG 12 H ARG 12 8.367 -3.831 -7.769 126 HA ARG 12 HA ARG 12 8.322 -1.332 -8.868 127 1HB ARG 12 1HB ARG 12 10.552 -1.917 -9.773 128 2HB ARG 12 2HB ARG 12 10.329 -2.349 -8.084 129 1HG ARG 12 1HG ARG 12 9.698 -4.550 -10.007 130 2HG ARG 12 2HG ARG 12 11.347 -3.976 -10.074 131 1HD ARG 12 1HD ARG 12 9.900 -4.933 -7.568 132 2HD ARG 12 2HD ARG 12 10.932 -5.953 -8.562 133 HE ARG 12 HE ARG 12 11.735 -4.154 -6.508 134 1HH1 ARG 12 2HH2 ARG 12 12.934 -5.233 -9.714 135 2HH1 ARG 12 1HH2 ARG 12 14.536 -4.673 -9.413 136 1HH2 ARG 12 2HH1 ARG 12 13.775 -3.578 -6.098 137 2HH2 ARG 12 1HH1 ARG 12 15.058 -3.673 -7.291 138 QB ARG 12 QB ARG 12 10.440 -2.133 -8.928 139 QG ARG 12 QG ARG 12 10.522 -4.263 -10.040 140 QD ARG 12 QD ARG 12 10.416 -5.443 -8.065 141 QH1 ARG 12 QH2 ARG 12 13.735 -4.953 -9.564 142 QH2 ARG 12 QH1 ARG 12 14.416 -3.625 -6.694 143 H GLY 13 H GLY 13 6.452 -1.220 -10.320 144 1HA GLY 13 1HA GLY 13 6.593 -0.661 -12.845 145 2HA GLY 13 2HA GLY 13 6.889 -2.386 -13.043 146 QA GLY 13 QA GLY 13 6.741 -1.524 -12.944 147 H ALA 14 H ALA 14 4.817 -2.223 -10.426 148 HA ALA 14 HA ALA 14 2.370 -2.675 -11.926 149 1HB ALA 14 2HB ALA 14 2.808 -3.612 -9.654 150 2HB ALA 14 3HB ALA 14 2.814 -1.931 -9.033 151 3HB ALA 14 1HB ALA 14 1.330 -2.629 -9.722 152 QB ALA 14 QB ALA 14 2.317 -2.724 -9.470 153 H SER 15 H SER 15 0.439 -1.198 -11.455 154 HA SER 15 HA SER 15 1.178 1.665 -11.767 155 1HB SER 15 1HB SER 15 -0.615 1.493 -13.624 156 2HB SER 15 2HB SER 15 0.958 0.746 -13.967 157 HG SER 15 HG SER 15 -1.147 -0.444 -14.354 158 QB SER 15 QB SER 15 0.172 1.120 -13.796 159 H ASP 16 H ASP 16 -0.854 2.999 -11.847 160 HA ASP 16 HA ASP 16 -1.964 2.894 -9.309 161 1HB ASP 16 1HB ASP 16 -1.836 4.742 -11.359 162 2HB ASP 16 2HB ASP 16 -3.567 4.425 -11.289 163 QB ASP 16 QB ASP 16 -2.701 4.583 -11.324 164 H GLU 17 H GLU 17 -3.020 1.458 -12.236 165 HA GLU 17 HA GLU 17 -5.796 0.902 -11.670 166 1HB GLU 17 1HB GLU 17 -4.589 0.986 -13.930 167 2HB GLU 17 2HB GLU 17 -3.716 -0.446 -13.431 168 1HG GLU 17 1HG GLU 17 -5.275 -1.411 -14.729 169 2HG GLU 17 2HG GLU 17 -6.091 -1.537 -13.174 170 QB GLU 17 QB GLU 17 -4.152 0.270 -13.681 171 QG GLU 17 QG GLU 17 -5.683 -1.474 -13.951 172 H GLU 18 H GLU 18 -2.653 -0.660 -10.959 173 HA GLU 18 HA GLU 18 -3.860 -3.224 -10.213 174 1HB GLU 18 1HB GLU 18 -1.270 -2.254 -11.030 175 2HB GLU 18 2HB GLU 18 -1.088 -2.779 -9.404 176 1HG GLU 18 1HG GLU 18 -2.332 -4.496 -11.598 177 2HG GLU 18 2HG GLU 18 -0.648 -4.561 -11.112 178 QB GLU 18 QB GLU 18 -1.179 -2.516 -10.217 179 QG GLU 18 QG GLU 18 -1.490 -4.529 -11.355 180 H ILE 19 H ILE 19 -2.514 -0.196 -8.896 181 HA ILE 19 HA ILE 19 -2.521 -0.910 -6.186 182 HB ILE 19 HB ILE 19 -2.654 1.683 -7.668 183 1HG1 ILE 19 1HG1 ILE 19 -0.679 0.590 -5.625 184 2HG1 ILE 19 2HG1 ILE 19 -0.585 0.174 -7.335 185 1HG2 ILE 19 3HG2 ILE 19 -2.841 1.461 -4.634 186 2HG2 ILE 19 1HG2 ILE 19 -2.521 2.939 -5.575 187 3HG2 ILE 19 2HG2 ILE 19 -4.067 2.157 -5.715 188 1HD1 ILE 19 1HD1 ILE 19 -0.318 2.533 -7.947 189 2HD1 ILE 19 2HD1 ILE 19 -0.358 2.984 -6.225 190 3HD1 ILE 19 3HD1 ILE 19 0.951 1.958 -6.853 191 QG1 ILE 19 QG1 ILE 19 -0.632 0.382 -6.480 192 QG2 ILE 19 QG2 ILE 19 -3.143 2.186 -5.308 193 QD1 ILE 19 QD1 ILE 19 0.092 2.492 -7.008 194 H LYS 20 H LYS 20 -5.087 0.922 -7.946 195 HA LYS 20 HA LYS 20 -6.958 0.666 -5.874 196 1HB LYS 20 1HB LYS 20 -7.018 2.144 -8.005 197 2HB LYS 20 2HB LYS 20 -7.826 0.776 -8.782 198 1HG LYS 20 1HG LYS 20 -9.511 0.834 -6.842 199 2HG LYS 20 2HG LYS 20 -8.667 2.272 -6.275 200 1HD LYS 20 1HD LYS 20 -10.458 3.185 -7.372 201 2HD LYS 20 2HD LYS 20 -9.194 3.277 -8.611 202 1HE LYS 20 1HE LYS 20 -10.070 1.216 -9.657 203 2HE LYS 20 2HE LYS 20 -11.316 1.087 -8.394 204 1HZ LYS 20 3HZ LYS 20 -11.025 3.371 -10.247 205 2HZ LYS 20 1HZ LYS 20 -12.093 2.175 -10.481 206 3HZ LYS 20 2HZ LYS 20 -12.229 3.172 -9.159 207 QB LYS 20 QB LYS 20 -7.422 1.460 -8.394 208 QG LYS 20 QG LYS 20 -9.089 1.553 -6.558 209 QD LYS 20 QD LYS 20 -9.826 3.231 -7.992 210 QE LYS 20 QE LYS 20 -10.693 1.152 -9.025 211 QZ LYS 20 QZ LYS 20 -11.782 2.906 -9.963 212 H ARG 21 H ARG 21 -6.134 -1.736 -8.335 213 HA ARG 21 HA ARG 21 -8.474 -3.434 -7.934 214 1HB ARG 21 1HB ARG 21 -7.001 -3.374 -9.958 215 2HB ARG 21 2HB ARG 21 -5.705 -4.100 -9.065 216 1HG ARG 21 1HG ARG 21 -8.422 -5.465 -9.333 217 2HG ARG 21 2HG ARG 21 -7.233 -5.495 -10.630 218 1HD ARG 21 1HD ARG 21 -5.661 -6.292 -8.534 219 2HD ARG 21 2HD ARG 21 -7.223 -6.933 -8.024 220 HE ARG 21 HE ARG 21 -7.180 -8.466 -9.771 221 1HH1 ARG 21 2HH2 ARG 21 -4.432 -6.198 -10.248 222 2HH1 ARG 21 1HH2 ARG 21 -4.062 -6.869 -11.808 223 1HH2 ARG 21 2HH1 ARG 21 -6.155 -9.672 -11.496 224 2HH2 ARG 21 1HH1 ARG 21 -4.688 -9.030 -12.185 225 QB ARG 21 QB ARG 21 -6.353 -3.737 -9.512 226 QG ARG 21 QG ARG 21 -7.827 -5.480 -9.982 227 QD ARG 21 QD ARG 21 -6.442 -6.613 -8.279 228 QH1 ARG 21 QH2 ARG 21 -4.247 -6.533 -11.028 229 QH2 ARG 21 QH1 ARG 21 -5.422 -9.351 -11.841 230 H ALA 22 H ALA 22 -5.061 -3.728 -6.977 231 HA ALA 22 HA ALA 22 -5.413 -5.915 -5.252 232 1HB ALA 22 2HB ALA 22 -3.260 -5.318 -6.259 233 2HB ALA 22 3HB ALA 22 -3.201 -3.841 -5.281 234 3HB ALA 22 1HB ALA 22 -3.134 -5.431 -4.494 235 QB ALA 22 QB ALA 22 -3.198 -4.863 -5.345 236 H TYR 23 H TYR 23 -5.825 -2.413 -4.565 237 HA TYR 23 HA TYR 23 -5.773 -2.253 -1.910 238 1HB TYR 23 1HB TYR 23 -6.759 -0.849 -4.193 239 2HB TYR 23 2HB TYR 23 -8.177 -1.069 -3.287 240 HD1 TYR 23 2HD TYR 23 -4.723 0.309 -3.148 241 HD2 TYR 23 1HD TYR 23 -8.778 0.443 -1.629 242 HE1 TYR 23 2HE TYR 23 -4.218 2.443 -1.966 243 HE2 TYR 23 1HE TYR 23 -8.286 2.586 -0.534 244 HH TYR 23 HH TYR 23 -6.716 4.058 0.045 245 QB TYR 23 QB TYR 23 -7.468 -0.959 -3.740 246 QG TYR 23 QD TYR 23 -6.751 0.376 -2.389 247 QZ TYR 23 QE TYR 23 -6.252 2.515 -1.250 248 QR TYR 23 QR TYR 23 -6.501 1.445 -1.819 249 H ARG 24 H ARG 24 -8.871 -3.078 -3.621 250 HA ARG 24 HA ARG 24 -10.127 -3.574 -1.059 251 1HB ARG 24 1HB ARG 24 -11.261 -2.927 -3.366 252 2HB ARG 24 2HB ARG 24 -11.298 -4.681 -3.624 253 1HG ARG 24 1HG ARG 24 -12.429 -4.850 -1.301 254 2HG ARG 24 2HG ARG 24 -12.471 -3.092 -1.297 255 1HD ARG 24 1HD ARG 24 -14.560 -3.457 -2.098 256 2HD ARG 24 2HD ARG 24 -13.726 -3.441 -3.643 257 HE ARG 24 HE ARG 24 -14.853 -5.731 -2.136 258 1HH1 ARG 24 2HH2 ARG 24 -13.412 -4.642 -5.221 259 2HH1 ARG 24 1HH2 ARG 24 -13.119 -6.237 -5.802 260 1HH2 ARG 24 2HH1 ARG 24 -14.930 -7.831 -3.159 261 2HH2 ARG 24 1HH1 ARG 24 -14.396 -7.980 -4.795 262 QB ARG 24 QB ARG 24 -11.280 -3.804 -3.495 263 QG ARG 24 QG ARG 24 -12.450 -3.971 -1.299 264 QD ARG 24 QD ARG 24 -14.143 -3.449 -2.871 265 QH1 ARG 24 QH2 ARG 24 -13.266 -5.439 -5.511 266 QH2 ARG 24 QH1 ARG 24 -14.663 -7.906 -3.977 267 H ARG 25 H ARG 25 -8.569 -5.575 -3.492 268 HA ARG 25 HA ARG 25 -9.141 -8.179 -2.539 269 1HB ARG 25 1HB ARG 25 -8.005 -7.873 -4.647 270 2HB ARG 25 2HB ARG 25 -6.801 -6.850 -3.921 271 1HG ARG 25 1HG ARG 25 -5.971 -8.971 -2.653 272 2HG ARG 25 2HG ARG 25 -6.952 -9.852 -3.836 273 1HD ARG 25 1HD ARG 25 -5.672 -8.736 -5.671 274 2HD ARG 25 2HD ARG 25 -4.752 -7.827 -4.457 275 HE ARG 25 HE ARG 25 -4.642 -10.743 -4.207 276 1HH1 ARG 25 2HH2 ARG 25 -3.091 -8.084 -5.958 277 2HH1 ARG 25 1HH2 ARG 25 -1.505 -8.663 -5.800 278 1HH2 ARG 25 2HH1 ARG 25 -2.599 -11.692 -4.245 279 2HH2 ARG 25 1HH1 ARG 25 -1.186 -10.826 -4.732 280 QB ARG 25 QB ARG 25 -7.403 -7.361 -4.284 281 QG ARG 25 QG ARG 25 -6.462 -9.411 -3.245 282 QD ARG 25 QD ARG 25 -5.212 -8.282 -5.064 283 QH1 ARG 25 QH2 ARG 25 -2.298 -8.374 -5.879 284 QH2 ARG 25 QH1 ARG 25 -1.892 -11.259 -4.488 285 H GLN 26 H GLN 26 -6.350 -5.981 -1.609 286 HA GLN 26 HA GLN 26 -5.524 -7.914 0.248 287 1HB GLN 26 1HB GLN 26 -4.103 -6.022 -0.973 288 2HB GLN 26 2HB GLN 26 -4.573 -5.019 0.387 289 1HG GLN 26 1HG GLN 26 -3.645 -6.720 1.911 290 2HG GLN 26 2HG GLN 26 -3.490 -7.904 0.607 291 1HE2 GLN 26 2HE2 GLN 26 -0.364 -5.632 1.520 292 2HE2 GLN 26 1HE2 GLN 26 -1.782 -5.761 2.489 293 QB GLN 26 QB GLN 26 -4.338 -5.521 -0.293 294 QG GLN 26 QG GLN 26 -3.567 -7.312 1.259 295 QE2 GLN 26 QE2 GLN 26 -1.073 -5.697 2.004 296 H ALA 27 H ALA 27 -7.312 -4.812 0.717 297 HA ALA 27 HA ALA 27 -7.304 -4.893 3.542 298 1HB ALA 27 2HB ALA 27 -9.361 -3.810 1.572 299 2HB ALA 27 3HB ALA 27 -9.478 -3.613 3.331 300 3HB ALA 27 1HB ALA 27 -8.088 -2.931 2.480 301 QB ALA 27 QB ALA 27 -8.976 -3.451 2.461 302 H LEU 28 H LEU 28 -9.592 -6.418 1.200 303 HA LEU 28 HA LEU 28 -11.327 -7.600 3.078 304 1HB LEU 28 1HB LEU 28 -11.719 -7.452 0.625 305 2HB LEU 28 2HB LEU 28 -10.447 -8.649 0.362 306 HG LEU 28 HG LEU 28 -11.798 -10.314 1.685 307 1HD1 LEU 28 1HD1 LEU 28 -13.849 -8.050 1.636 308 2HD1 LEU 28 2HD1 LEU 28 -14.249 -9.731 1.999 309 3HD1 LEU 28 3HD1 LEU 28 -13.171 -8.842 3.078 310 1HD2 LEU 28 3HD2 LEU 28 -13.195 -9.046 -0.705 311 2HD2 LEU 28 1HD2 LEU 28 -11.890 -10.254 -0.757 312 3HD2 LEU 28 2HD2 LEU 28 -13.466 -10.691 -0.088 313 QB LEU 28 QB LEU 28 -11.083 -8.050 0.493 314 QD1 LEU 28 QD1 LEU 28 -13.756 -8.874 2.237 315 QD2 LEU 28 QD2 LEU 28 -12.850 -9.997 -0.517 316 QQD LEU 28 QQD LEU 28 -13.303 -9.436 0.860 317 H ARG 29 H ARG 29 -8.303 -8.852 1.643 318 HA ARG 29 HA ARG 29 -8.335 -11.422 2.669 319 1HB ARG 29 1HB ARG 29 -6.650 -10.069 1.075 320 2HB ARG 29 2HB ARG 29 -5.765 -9.858 2.569 321 1HG ARG 29 1HG ARG 29 -6.179 -12.564 2.621 322 2HG ARG 29 2HG ARG 29 -6.226 -12.288 0.885 323 1HD ARG 29 1HD ARG 29 -4.013 -10.765 1.766 324 2HD ARG 29 2HD ARG 29 -3.960 -12.199 2.785 325 HE ARG 29 HE ARG 29 -4.314 -13.023 0.085 326 1HH1 ARG 29 2HH2 ARG 29 -1.842 -11.923 2.278 327 2HH1 ARG 29 1HH2 ARG 29 -0.555 -11.780 1.140 328 1HH2 ARG 29 2HH1 ARG 29 -2.626 -13.349 -1.374 329 2HH2 ARG 29 1HH1 ARG 29 -1.040 -12.628 -1.113 330 QB ARG 29 QB ARG 29 -6.207 -9.964 1.822 331 QG ARG 29 QG ARG 29 -6.202 -12.426 1.753 332 QD ARG 29 QD ARG 29 -3.986 -11.482 2.275 333 QH1 ARG 29 QH2 ARG 29 -1.198 -11.852 1.709 334 QH2 ARG 29 QH1 ARG 29 -1.833 -12.988 -1.244 335 H TYR 30 H TYR 30 -7.094 -8.503 4.279 336 HA TYR 30 HA TYR 30 -6.323 -10.028 6.687 337 1HB TYR 30 1HB TYR 30 -5.778 -7.210 5.693 338 2HB TYR 30 2HB TYR 30 -5.342 -7.742 7.304 339 HD1 TYR 30 1HD TYR 30 -4.606 -8.250 3.700 340 HD2 TYR 30 2HD TYR 30 -3.456 -9.175 7.745 341 HE1 TYR 30 1HE TYR 30 -2.426 -9.101 2.871 342 HE2 TYR 30 2HE TYR 30 -1.283 -10.043 6.916 343 HH TYR 30 HH TYR 30 -0.042 -9.422 3.852 344 QB TYR 30 QB TYR 30 -5.560 -7.476 6.499 345 QG TYR 30 QD TYR 30 -4.031 -8.712 5.723 346 QZ TYR 30 QE TYR 30 -1.854 -9.572 4.894 347 QR TYR 30 QR TYR 30 -2.942 -9.142 5.308 348 H HIS 31 H HIS 31 -9.159 -8.462 5.685 349 HA HIS 31 HA HIS 31 -9.694 -6.575 7.606 350 1HB HIS 31 1HB HIS 31 -11.078 -7.825 5.496 351 2HB HIS 31 2HB HIS 31 -12.068 -8.208 6.877 352 HD1 HIS 31 1HD HIS 31 -13.185 -5.768 8.188 353 HD2 HIS 31 2HD HIS 31 -11.487 -5.716 4.304 354 HE1 HIS 31 1HE HIS 31 -14.050 -3.735 7.068 355 QB HIS 31 QB HIS 31 -11.573 -8.017 6.187 356 HA PRO 32 HA PRO 32 -10.137 -9.136 11.314 357 1HB PRO 32 1HB PRO 32 -11.460 -7.425 12.983 358 2HB PRO 32 2HB PRO 32 -9.739 -7.232 12.557 359 1HG PRO 32 1HG PRO 32 -12.127 -5.860 11.264 360 2HG PRO 32 2HG PRO 32 -10.622 -5.099 11.879 361 1HD PRO 32 1HD PRO 32 -10.920 -5.684 9.266 362 2HD PRO 32 2HD PRO 32 -9.347 -5.963 10.078 363 QB PRO 32 QB PRO 32 -10.600 -7.328 12.770 364 QG PRO 32 QG PRO 32 -11.374 -5.480 11.572 365 QD PRO 32 QD PRO 32 -10.133 -5.823 9.672 366 H ASP 33 H ASP 33 -12.758 -7.781 9.506 367 HA ASP 33 HA ASP 33 -14.936 -9.322 10.679 368 1HB ASP 33 1HB ASP 33 -14.655 -7.857 8.022 369 2HB ASP 33 2HB ASP 33 -16.167 -8.459 8.695 370 QB ASP 33 QB ASP 33 -15.411 -8.158 8.358 371 H LYS 34 H LYS 34 -12.403 -10.026 8.372 372 HA LYS 34 HA LYS 34 -14.129 -12.033 6.946 373 1HB LYS 34 1HB LYS 34 -13.572 -10.194 5.427 374 2HB LYS 34 2HB LYS 34 -11.899 -10.235 5.955 375 1HG LYS 34 1HG LYS 34 -12.101 -11.232 3.748 376 2HG LYS 34 2HG LYS 34 -11.456 -12.360 4.919 377 1HD LYS 34 1HD LYS 34 -12.958 -13.563 3.563 378 2HD LYS 34 2HD LYS 34 -13.823 -13.356 5.086 379 1HE LYS 34 1HE LYS 34 -14.982 -11.338 4.076 380 2HE LYS 34 2HE LYS 34 -14.160 -11.702 2.545 381 1HZ LYS 34 2HZ LYS 34 -15.252 -13.866 2.579 382 2HZ LYS 34 3HZ LYS 34 -16.085 -13.429 3.945 383 3HZ LYS 34 1HZ LYS 34 -16.345 -12.628 2.537 384 QB LYS 34 QB LYS 34 -12.735 -10.214 5.691 385 QG LYS 34 QG LYS 34 -11.779 -11.796 4.334 386 QD LYS 34 QD LYS 34 -13.391 -13.459 4.325 387 QE LYS 34 QE LYS 34 -14.571 -11.520 3.311 388 QZ LYS 34 QZ LYS 34 -15.894 -13.308 3.020 389 H ASN 35 H ASN 35 -10.739 -11.302 7.990 390 HA ASN 35 HA ASN 35 -9.905 -14.036 7.362 391 1HB ASN 35 1HB ASN 35 -8.457 -11.830 7.377 392 2HB ASN 35 2HB ASN 35 -8.366 -12.087 9.121 393 1HD2 ASN 35 2HD2 ASN 35 -5.386 -13.691 7.710 394 2HD2 ASN 35 1HD2 ASN 35 -6.068 -12.120 7.378 395 QB ASN 35 QB ASN 35 -8.411 -11.958 8.249 396 QD2 ASN 35 QD2 ASN 35 -5.727 -12.905 7.544 397 H LYS 36 H LYS 36 -10.850 -12.062 10.098 398 HA LYS 36 HA LYS 36 -11.038 -12.278 12.249 399 1HB LYS 36 1HB LYS 36 -11.844 -15.012 11.384 400 2HB LYS 36 2HB LYS 36 -11.688 -14.730 13.107 401 1HG LYS 36 1HG LYS 36 -13.335 -12.900 11.318 402 2HG LYS 36 2HG LYS 36 -14.001 -14.375 12.035 403 1HD LYS 36 1HD LYS 36 -13.540 -13.616 14.281 404 2HD LYS 36 2HD LYS 36 -12.677 -12.177 13.697 405 1HE LYS 36 1HE LYS 36 -14.695 -11.287 12.688 406 2HE LYS 36 2HE LYS 36 -15.587 -12.778 13.065 407 1HZ LYS 36 3HZ LYS 36 -14.431 -10.974 15.102 408 2HZ LYS 36 1HZ LYS 36 -16.017 -11.014 14.647 409 3HZ LYS 36 2HZ LYS 36 -15.350 -12.312 15.378 410 QB LYS 36 QB LYS 36 -11.766 -14.871 12.246 411 QG LYS 36 QG LYS 36 -13.668 -13.637 11.676 412 QD LYS 36 QD LYS 36 -13.108 -12.896 13.989 413 QE LYS 36 QE LYS 36 -15.141 -12.032 12.877 414 QZ LYS 36 QZ LYS 36 -15.266 -11.433 15.042 415 H GLU 37 H GLU 37 -8.347 -13.378 10.762 416 HA GLU 37 HA GLU 37 -7.041 -14.949 12.488 417 1HB GLU 37 1HB GLU 37 -6.294 -14.526 10.314 418 2HB GLU 37 2HB GLU 37 -6.046 -12.803 10.626 419 1HG GLU 37 1HG GLU 37 -4.242 -13.409 12.253 420 2HG GLU 37 2HG GLU 37 -4.503 -15.120 11.876 421 QB GLU 37 QB GLU 37 -6.170 -13.665 10.470 422 QG GLU 37 QG GLU 37 -4.373 -14.265 12.064 423 HA PRO 38 HA PRO 38 -6.483 -12.104 15.956 424 1HB PRO 38 1HB PRO 38 -4.905 -13.648 17.595 425 2HB PRO 38 2HB PRO 38 -6.661 -13.877 17.396 426 1HG PRO 38 1HG PRO 38 -4.421 -15.370 16.006 427 2HG PRO 38 2HG PRO 38 -5.885 -16.038 16.782 428 1HD PRO 38 1HD PRO 38 -5.658 -15.609 14.082 429 2HD PRO 38 2HD PRO 38 -7.222 -15.429 14.933 430 QB PRO 38 QB PRO 38 -5.783 -13.762 17.495 431 QG PRO 38 QG PRO 38 -5.153 -15.704 16.394 432 QD PRO 38 QD PRO 38 -6.440 -15.519 14.508 433 H GLY 39 H GLY 39 -5.114 -10.426 15.917 434 1HA GLY 39 1HA GLY 39 -3.074 -9.339 16.052 435 2HA GLY 39 2HA GLY 39 -2.208 -10.834 15.730 436 QA GLY 39 QA GLY 39 -2.641 -10.087 15.891 437 H ALA 40 H ALA 40 -4.434 -10.750 13.256 438 HA ALA 40 HA ALA 40 -2.680 -9.687 11.224 439 1HB ALA 40 1HB ALA 40 -5.677 -10.200 11.221 440 2HB ALA 40 2HB ALA 40 -4.707 -9.779 9.800 441 3HB ALA 40 3HB ALA 40 -4.381 -11.288 10.652 442 QB ALA 40 QB ALA 40 -4.922 -10.422 10.558 443 H GLU 41 H GLU 41 -4.461 -8.101 13.651 444 HA GLU 41 HA GLU 41 -5.364 -5.751 12.319 445 1HB GLU 41 1HB GLU 41 -6.368 -6.574 14.307 446 2HB GLU 41 2HB GLU 41 -4.827 -6.664 15.152 447 1HG GLU 41 1HG GLU 41 -4.689 -4.273 15.369 448 2HG GLU 41 2HG GLU 41 -6.073 -4.045 14.280 449 QB GLU 41 QB GLU 41 -5.598 -6.619 14.730 450 QG GLU 41 QG GLU 41 -5.381 -4.159 14.825 451 H GLU 42 H GLU 42 -2.232 -6.607 13.804 452 HA GLU 42 HA GLU 42 -1.232 -3.861 13.437 453 1HB GLU 42 1HB GLU 42 -0.311 -5.646 15.100 454 2HB GLU 42 2HB GLU 42 0.526 -6.318 13.715 455 1HG GLU 42 1HG GLU 42 2.008 -4.811 14.907 456 2HG GLU 42 2HG GLU 42 1.641 -4.118 13.333 457 QB GLU 42 QB GLU 42 0.107 -5.982 14.408 458 QG GLU 42 QG GLU 42 1.824 -4.464 14.120 459 H LYS 43 H LYS 43 -1.034 -6.950 11.713 460 HA LYS 43 HA LYS 43 0.547 -6.220 9.546 461 1HB LYS 43 1HB LYS 43 -1.312 -8.351 10.350 462 2HB LYS 43 2HB LYS 43 -1.502 -8.016 8.662 463 1HG LYS 43 1HG LYS 43 0.115 -9.770 8.950 464 2HG LYS 43 2HG LYS 43 0.973 -8.344 8.363 465 1HD LYS 43 1HD LYS 43 1.738 -7.845 10.672 466 2HD LYS 43 2HD LYS 43 0.829 -9.214 11.302 467 1HE LYS 43 1HE LYS 43 2.761 -9.701 9.036 468 2HE LYS 43 2HE LYS 43 3.441 -9.370 10.640 469 1HZ LYS 43 1HZ LYS 43 1.387 -11.453 10.274 470 2HZ LYS 43 2HZ LYS 43 2.988 -11.760 10.087 471 3HZ LYS 43 3HZ LYS 43 2.449 -11.204 11.529 472 QB LYS 43 QB LYS 43 -1.407 -8.184 9.506 473 QG LYS 43 QG LYS 43 0.544 -9.057 8.656 474 QD LYS 43 QD LYS 43 1.284 -8.529 10.987 475 QE LYS 43 QE LYS 43 3.101 -9.535 9.838 476 QZ LYS 43 QZ LYS 43 2.275 -11.472 10.630 477 H PHE 44 H PHE 44 -2.976 -5.934 10.002 478 HA PHE 44 HA PHE 44 -3.743 -4.818 7.597 479 1HB PHE 44 1HB PHE 44 -5.252 -5.530 9.422 480 2HB PHE 44 2HB PHE 44 -4.752 -4.169 10.399 481 HD1 PHE 44 1HD PHE 44 -6.506 -5.088 7.223 482 HD2 PHE 44 2HD PHE 44 -5.663 -1.979 10.100 483 HE1 PHE 44 1HE PHE 44 -8.094 -3.572 6.061 484 HE2 PHE 44 2HE PHE 44 -7.253 -0.465 8.900 485 1HZ PHE 44 HZ PHE 44 -8.418 -1.238 6.893 486 QB PHE 44 QB PHE 44 -5.002 -4.849 9.910 487 QG PHE 44 QD PHE 44 -6.085 -3.533 8.661 488 QZ PHE 44 QE PHE 44 -7.674 -2.018 7.480 489 QZ PHE 44 QR PHE 44 -7.187 -2.468 7.835 490 H LYS 45 H LYS 45 -2.417 -3.092 10.460 491 HA LYS 45 HA LYS 45 -2.987 -0.561 9.238 492 1HB LYS 45 1HB LYS 45 -2.262 0.532 11.005 493 2HB LYS 45 2HB LYS 45 -2.644 -1.013 11.767 494 1HG LYS 45 1HG LYS 45 -0.222 -1.581 11.769 495 2HG LYS 45 2HG LYS 45 0.167 -0.067 10.953 496 1HD LYS 45 1HD LYS 45 -1.162 -0.291 13.668 497 2HD LYS 45 2HD LYS 45 0.551 -0.026 13.388 498 1HE LYS 45 1HE LYS 45 -1.639 1.865 12.415 499 2HE LYS 45 2HE LYS 45 -0.802 2.038 13.952 500 1HZ LYS 45 3HZ LYS 45 1.279 2.281 12.717 501 2HZ LYS 45 1HZ LYS 45 0.490 2.260 11.275 502 3HZ LYS 45 2HZ LYS 45 0.176 3.442 12.335 503 QB LYS 45 QB LYS 45 -2.453 -0.240 11.386 504 QG LYS 45 QG LYS 45 -0.027 -0.824 11.361 505 QD LYS 45 QD LYS 45 -0.305 -0.158 13.528 506 QE LYS 45 QE LYS 45 -1.220 1.952 13.183 507 QZ LYS 45 QZ LYS 45 0.648 2.661 12.109 508 H GLU 46 H GLU 46 -0.197 -2.764 8.676 509 HA GLU 46 HA GLU 46 1.587 -0.845 7.793 510 1HB GLU 46 1HB GLU 46 1.607 -3.411 8.644 511 2HB GLU 46 2HB GLU 46 1.237 -3.766 6.961 512 1HG GLU 46 1HG GLU 46 3.030 -2.253 6.356 513 2HG GLU 46 2HG GLU 46 3.641 -2.248 8.020 514 QB GLU 46 QB GLU 46 1.422 -3.588 7.803 515 QG GLU 46 QG GLU 46 3.335 -2.251 7.188 516 H ILE 47 H ILE 47 -0.890 -2.985 6.405 517 HA ILE 47 HA ILE 47 -0.665 -2.341 3.650 518 HB ILE 47 HB ILE 47 -3.137 -3.109 5.143 519 1HG1 ILE 47 1HG1 ILE 47 -0.992 -4.900 3.928 520 2HG1 ILE 47 2HG1 ILE 47 -1.240 -4.645 5.634 521 1HG2 ILE 47 3HG2 ILE 47 -3.494 -2.349 2.747 522 2HG2 ILE 47 1HG2 ILE 47 -2.325 -3.568 2.210 523 3HG2 ILE 47 2HG2 ILE 47 -3.877 -4.040 2.932 524 1HD1 ILE 47 1HD1 ILE 47 -3.606 -5.383 5.419 525 2HD1 ILE 47 2HD1 ILE 47 -3.195 -5.930 3.789 526 3HD1 ILE 47 3HD1 ILE 47 -2.325 -6.612 5.183 527 QG1 ILE 47 QG1 ILE 47 -1.116 -4.773 4.781 528 QG2 ILE 47 QG2 ILE 47 -3.232 -3.319 2.630 529 QD1 ILE 47 QD1 ILE 47 -3.042 -5.975 4.797 530 H ALA 48 H ALA 48 -2.654 -1.005 6.329 531 HA ALA 48 HA ALA 48 -4.068 0.992 4.936 532 1HB ALA 48 2HB ALA 48 -4.621 0.065 7.184 533 2HB ALA 48 3HB ALA 48 -3.293 1.058 7.853 534 3HB ALA 48 1HB ALA 48 -4.673 1.833 7.073 535 QB ALA 48 QB ALA 48 -4.196 0.985 7.370 536 H GLU 49 H GLU 49 -0.864 1.093 6.460 537 HA GLU 49 HA GLU 49 -0.360 3.882 6.206 538 1HB GLU 49 1HB GLU 49 1.074 1.537 7.048 539 2HB GLU 49 2HB GLU 49 2.047 2.268 5.792 540 1HG GLU 49 1HG GLU 49 2.845 3.181 7.784 541 2HG GLU 49 2HG GLU 49 1.858 4.459 7.076 542 QB GLU 49 QB GLU 49 1.560 1.903 6.420 543 QG GLU 49 QG GLU 49 2.352 3.820 7.430 544 H ALA 50 H ALA 50 0.381 1.100 4.087 545 HA ALA 50 HA ALA 50 1.458 2.777 1.987 546 1HB ALA 50 3HB ALA 50 2.113 0.408 2.323 547 2HB ALA 50 1HB ALA 50 0.463 -0.107 1.898 548 3HB ALA 50 2HB ALA 50 1.480 0.692 0.687 549 QB ALA 50 QB ALA 50 1.352 0.331 1.636 550 H TYR 51 H TYR 51 -1.740 1.785 2.887 551 HA TYR 51 HA TYR 51 -3.089 1.930 0.406 552 1HB TYR 51 1HB TYR 51 -3.662 1.222 2.983 553 2HB TYR 51 2HB TYR 51 -4.417 2.780 2.989 554 HD1 TYR 51 1HD TYR 51 -4.141 -0.400 1.183 555 HD2 TYR 51 2HD TYR 51 -6.814 2.705 2.486 556 HE1 TYR 51 1HE TYR 51 -6.060 -1.835 0.569 557 HE2 TYR 51 2HE TYR 51 -8.761 1.292 1.838 558 HH TYR 51 HH TYR 51 -8.303 -1.982 0.406 559 QB TYR 51 QB TYR 51 -4.039 2.001 2.986 560 QG TYR 51 QD TYR 51 -5.478 1.153 1.835 561 QZ TYR 51 QE TYR 51 -7.411 -0.271 1.203 562 QR TYR 51 QR TYR 51 -6.444 0.441 1.519 563 H ASP 52 H ASP 52 -2.613 4.309 3.089 564 HA ASP 52 HA ASP 52 -3.668 6.622 1.834 565 1HB ASP 52 1HB ASP 52 -2.927 6.359 4.267 566 2HB ASP 52 2HB ASP 52 -1.279 6.619 3.714 567 QB ASP 52 QB ASP 52 -2.103 6.489 3.990 568 H VAL 53 H VAL 53 -0.299 5.402 1.864 569 HA VAL 53 HA VAL 53 0.813 7.516 0.364 570 HB VAL 53 HB VAL 53 1.613 4.608 0.791 571 1HG1 VAL 53 3HG1 VAL 53 3.118 6.730 -0.748 572 2HG1 VAL 53 1HG1 VAL 53 3.921 5.330 -0.004 573 3HG1 VAL 53 2HG1 VAL 53 2.693 5.070 -1.245 574 1HG2 VAL 53 1HG2 VAL 53 1.655 6.144 2.764 575 2HG2 VAL 53 2HG2 VAL 53 3.248 5.503 2.332 576 3HG2 VAL 53 3HG2 VAL 53 2.822 7.161 1.910 577 QG1 VAL 53 QG1 VAL 53 3.244 5.710 -0.665 578 QG2 VAL 53 QG2 VAL 53 2.575 6.269 2.336 579 QQG VAL 53 QQG VAL 53 2.910 5.990 0.835 580 H LEU 54 H LEU 54 -0.508 4.350 -0.788 581 HA LEU 54 HA LEU 54 0.253 4.900 -3.517 582 1HB LEU 54 1HB LEU 54 -1.442 2.773 -2.159 583 2HB LEU 54 2HB LEU 54 -1.039 2.804 -3.860 584 HG LEU 54 HG LEU 54 1.187 2.751 -1.839 585 1HD1 LEU 54 2HD1 LEU 54 -0.347 0.397 -3.028 586 2HD1 LEU 54 3HD1 LEU 54 1.199 0.266 -2.168 587 3HD1 LEU 54 1HD1 LEU 54 -0.237 0.841 -1.318 588 1HD2 LEU 54 2HD2 LEU 54 1.383 3.131 -4.503 589 2HD2 LEU 54 3HD2 LEU 54 2.569 2.181 -3.590 590 3HD2 LEU 54 1HD2 LEU 54 1.288 1.380 -4.510 591 QB LEU 54 QB LEU 54 -1.240 2.788 -3.010 592 QD1 LEU 54 QD1 LEU 54 0.205 0.502 -2.171 593 QD2 LEU 54 QD2 LEU 54 1.747 2.231 -4.201 594 QQD LEU 54 QQD LEU 54 0.976 1.366 -3.186 595 H SER 55 H SER 55 -2.331 6.106 -1.585 596 HA SER 55 HA SER 55 -3.988 6.460 -4.028 597 1HB SER 55 1HB SER 55 -5.865 6.840 -2.528 598 2HB SER 55 2HB SER 55 -5.173 5.223 -2.422 599 HG SER 55 HG SER 55 -4.240 5.679 -0.522 600 QB SER 55 QB SER 55 -5.519 6.031 -2.475 601 H ASP 56 H ASP 56 -1.782 8.191 -2.050 602 HA ASP 56 HA ASP 56 -2.954 10.712 -3.121 603 1HB ASP 56 1HB ASP 56 -3.007 10.802 -0.750 604 2HB ASP 56 2HB ASP 56 -1.301 10.319 -0.634 605 QB ASP 56 QB ASP 56 -2.154 10.561 -0.692 606 HA PRO 57 HA PRO 57 0.658 10.321 -5.808 607 1HB PRO 57 1HB PRO 57 -0.573 13.009 -6.506 608 2HB PRO 57 2HB PRO 57 0.273 11.845 -7.584 609 1HG PRO 57 1HG PRO 57 -2.407 11.792 -7.503 610 2HG PRO 57 2HG PRO 57 -1.512 10.248 -7.371 611 1HD PRO 57 1HD PRO 57 -2.734 11.903 -5.142 612 2HD PRO 57 2HD PRO 57 -2.785 10.129 -5.394 613 QB PRO 57 QB PRO 57 -0.150 12.427 -7.045 614 QG PRO 57 QG PRO 57 -1.960 11.020 -7.437 615 QD PRO 57 QD PRO 57 -2.760 11.016 -5.268 616 H ARG 58 H ARG 58 -0.082 13.349 -3.894 617 HA ARG 58 HA ARG 58 2.630 14.290 -4.174 618 1HB ARG 58 1HB ARG 58 2.019 16.119 -3.199 619 2HB ARG 58 2HB ARG 58 0.424 15.557 -3.583 620 1HG ARG 58 1HG ARG 58 1.125 14.610 -0.899 621 2HG ARG 58 2HG ARG 58 1.592 16.270 -1.122 622 1HD ARG 58 1HD ARG 58 -0.805 16.692 -1.946 623 2HD ARG 58 2HD ARG 58 -1.184 15.057 -1.454 624 HE ARG 58 HE ARG 58 -0.615 17.406 0.203 625 1HH1 ARG 58 2HH2 ARG 58 -0.983 13.854 0.281 626 2HH1 ARG 58 1HH2 ARG 58 -1.554 13.784 1.898 627 1HH2 ARG 58 2HH1 ARG 58 -1.008 17.330 2.391 628 2HH2 ARG 58 1HH1 ARG 58 -1.614 15.905 3.185 629 QB ARG 58 QB ARG 58 1.221 15.838 -3.391 630 QG ARG 58 QG ARG 58 1.358 15.440 -1.010 631 QD ARG 58 QD ARG 58 -0.994 15.875 -1.700 632 QH1 ARG 58 QH2 ARG 58 -1.269 13.819 1.090 633 QH2 ARG 58 QH1 ARG 58 -1.311 16.618 2.788 634 H LYS 59 H LYS 59 1.123 12.150 -1.790 635 HA LYS 59 HA LYS 59 3.439 12.144 -0.065 636 1HB LYS 59 1HB LYS 59 1.202 11.493 0.727 637 2HB LYS 59 2HB LYS 59 1.098 10.219 -0.474 638 1HG LYS 59 1HG LYS 59 1.552 9.336 1.752 639 2HG LYS 59 2HG LYS 59 2.810 8.932 0.582 640 1HD LYS 59 1HD LYS 59 3.667 9.482 2.837 641 2HD LYS 59 2HD LYS 59 4.354 10.493 1.552 642 1HE LYS 59 1HE LYS 59 2.805 12.319 2.159 643 2HE LYS 59 2HE LYS 59 2.096 11.319 3.441 644 1HZ LYS 59 2HZ LYS 59 4.978 11.724 3.493 645 2HZ LYS 59 3HZ LYS 59 4.069 13.015 3.821 646 3HZ LYS 59 1HZ LYS 59 3.899 11.663 4.756 647 QB LYS 59 QB LYS 59 1.150 10.856 0.127 648 QG LYS 59 QG LYS 59 2.181 9.134 1.167 649 QD LYS 59 QD LYS 59 4.010 9.987 2.195 650 QE LYS 59 QE LYS 59 2.451 11.819 2.800 651 QZ LYS 59 QZ LYS 59 4.315 12.134 4.023 652 H ARG 60 H ARG 60 2.201 9.823 -2.607 653 HA ARG 60 HA ARG 60 4.545 8.308 -2.519 654 1HB ARG 60 1HB ARG 60 2.105 8.079 -3.822 655 2HB ARG 60 2HB ARG 60 3.214 8.372 -5.174 656 1HG ARG 60 1HG ARG 60 4.688 6.555 -4.405 657 2HG ARG 60 2HG ARG 60 3.667 6.360 -2.975 658 1HD ARG 60 1HD ARG 60 2.490 4.852 -4.004 659 2HD ARG 60 2HD ARG 60 1.880 6.078 -5.112 660 HE ARG 60 HE ARG 60 4.503 4.818 -5.719 661 1HH1 ARG 60 2HH2 ARG 60 1.097 5.228 -6.760 662 2HH1 ARG 60 1HH2 ARG 60 1.387 4.494 -8.282 663 1HH2 ARG 60 2HH1 ARG 60 4.804 3.952 -7.735 664 2HH2 ARG 60 1HH1 ARG 60 3.534 3.725 -8.857 665 QB ARG 60 QB ARG 60 2.660 8.225 -4.498 666 QG ARG 60 QG ARG 60 4.178 6.457 -3.690 667 QD ARG 60 QD ARG 60 2.185 5.465 -4.558 668 QH1 ARG 60 QH2 ARG 60 1.242 4.861 -7.521 669 QH2 ARG 60 QH1 ARG 60 4.169 3.839 -8.296 670 H GLU 61 H GLU 61 4.171 11.411 -4.073 671 HA GLU 61 HA GLU 61 5.906 11.430 -6.141 672 1HB GLU 61 1HB GLU 61 4.719 13.393 -5.302 673 2HB GLU 61 2HB GLU 61 5.678 13.422 -3.832 674 1HG GLU 61 1HG GLU 61 7.026 13.744 -6.519 675 2HG GLU 61 2HG GLU 61 6.185 15.100 -5.774 676 QB GLU 61 QB GLU 61 5.199 13.408 -4.567 677 QG GLU 61 QG GLU 61 6.606 14.422 -6.147 678 H ILE 62 H ILE 62 6.880 11.507 -2.715 679 HA ILE 62 HA ILE 62 9.680 11.758 -3.320 680 HB ILE 62 HB ILE 62 8.304 10.827 -0.755 681 1HG1 ILE 62 1HG1 ILE 62 9.116 13.585 -1.750 682 2HG1 ILE 62 2HG1 ILE 62 7.496 13.025 -1.340 683 1HG2 ILE 62 3HG2 ILE 62 10.761 10.232 -0.892 684 2HG2 ILE 62 1HG2 ILE 62 11.116 11.960 -1.086 685 3HG2 ILE 62 2HG2 ILE 62 10.362 11.332 0.400 686 1HD1 ILE 62 2HD1 ILE 62 8.274 12.790 1.059 687 2HD1 ILE 62 3HD1 ILE 62 9.787 13.594 0.563 688 3HD1 ILE 62 1HD1 ILE 62 8.255 14.456 0.419 689 QG1 ILE 62 QG1 ILE 62 8.306 13.305 -1.545 690 QG2 ILE 62 QG2 ILE 62 10.746 11.175 -0.526 691 QD1 ILE 62 QD1 ILE 62 8.772 13.613 0.680 692 H PHE 63 H PHE 63 7.531 8.947 -2.789 693 HA PHE 63 HA PHE 63 9.754 7.041 -2.726 694 1HB PHE 63 1HB PHE 63 7.653 6.512 -1.588 695 2HB PHE 63 2HB PHE 63 6.721 6.806 -3.039 696 HD1 PHE 63 2HD PHE 63 6.724 5.171 -4.931 697 HD2 PHE 63 1HD PHE 63 8.742 4.375 -1.211 698 HE1 PHE 63 2HE PHE 63 6.711 2.747 -5.442 699 HE2 PHE 63 1HE PHE 63 8.756 1.949 -1.741 700 1HZ PHE 63 HZ PHE 63 7.732 1.128 -3.823 701 QB PHE 63 QB PHE 63 7.187 6.659 -2.314 702 QG PHE 63 QD PHE 63 7.733 4.773 -3.071 703 QZ PHE 63 QE PHE 63 7.734 2.348 -3.591 704 QZ PHE 63 QR PHE 63 7.733 3.074 -3.429 705 H ASP 64 H ASP 64 7.587 8.492 -5.218 706 HA ASP 64 HA ASP 64 8.471 6.698 -7.271 707 1HB ASP 64 1HB ASP 64 6.376 8.208 -7.327 708 2HB ASP 64 2HB ASP 64 7.458 9.521 -7.748 709 QB ASP 64 QB ASP 64 6.917 8.864 -7.538 710 H ARG 65 H ARG 65 10.044 9.270 -5.679 711 HA ARG 65 HA ARG 65 11.954 9.703 -7.926 712 1HB ARG 65 1HB ARG 65 11.096 11.659 -7.233 713 2HB ARG 65 2HB ARG 65 11.035 11.244 -5.555 714 1HG ARG 65 1HG ARG 65 13.143 11.888 -5.082 715 2HG ARG 65 2HG ARG 65 13.763 11.530 -6.720 716 1HD ARG 65 1HD ARG 65 12.404 13.468 -7.577 717 2HD ARG 65 2HD ARG 65 12.010 13.882 -5.909 718 HE ARG 65 HE ARG 65 14.854 13.630 -6.304 719 1HH1 ARG 65 2HH2 ARG 65 12.179 15.980 -6.553 720 2HH1 ARG 65 1HH2 ARG 65 13.208 17.269 -7.047 721 1HH2 ARG 65 2HH1 ARG 65 16.219 15.453 -6.778 722 2HH2 ARG 65 1HH1 ARG 65 15.490 16.946 -7.268 723 QB ARG 65 QB ARG 65 11.065 11.451 -6.394 724 QG ARG 65 QG ARG 65 13.453 11.709 -5.901 725 QD ARG 65 QD ARG 65 12.207 13.675 -6.743 726 QH1 ARG 65 QH2 ARG 65 12.693 16.624 -6.800 727 QH2 ARG 65 QH1 ARG 65 15.855 16.200 -7.023 728 H TYR 66 H TYR 66 11.738 8.868 -4.597 729 HA TYR 66 HA TYR 66 14.427 7.584 -4.402 730 1HB TYR 66 1HB TYR 66 12.991 9.121 -2.237 731 2HB TYR 66 2HB TYR 66 14.620 8.448 -2.144 732 HD1 TYR 66 1HD TYR 66 15.612 9.647 -4.899 733 HD2 TYR 66 2HD TYR 66 13.529 11.262 -1.472 734 HE1 TYR 66 1HE TYR 66 16.480 11.898 -5.420 735 HE2 TYR 66 2HE TYR 66 14.423 13.483 -1.980 736 HH TYR 66 HH TYR 66 15.405 14.782 -3.568 737 QB TYR 66 QB TYR 66 13.805 8.785 -2.191 738 QG TYR 66 QD TYR 66 14.570 10.454 -3.186 739 QZ TYR 66 QE TYR 66 15.452 12.691 -3.700 740 QR TYR 66 QR TYR 66 15.011 11.572 -3.443 741 H GLY 67 H GLY 67 12.623 5.952 -5.078 742 1HA GLY 67 1HA GLY 67 10.731 4.662 -3.710 743 2HA GLY 67 2HA GLY 67 12.008 3.758 -4.511 744 QA GLY 67 QA GLY 67 11.370 4.210 -4.110 745 H GLU 68 H GLU 68 10.596 4.667 -1.586 746 HA GLU 68 HA GLU 68 10.599 4.020 0.542 747 1HB GLU 68 1HB GLU 68 10.763 1.789 -0.531 748 2HB GLU 68 2HB GLU 68 12.497 1.817 -0.285 749 1HG GLU 68 1HG GLU 68 10.505 2.094 2.013 750 2HG GLU 68 2HG GLU 68 10.975 0.530 1.352 751 QB GLU 68 QB GLU 68 11.630 1.803 -0.408 752 QG GLU 68 QG GLU 68 10.740 1.312 1.682 753 H GLU 69 H GLU 69 13.835 4.439 -0.860 754 HA GLU 69 HA GLU 69 15.130 4.898 1.607 755 1HB GLU 69 1HB GLU 69 15.826 4.587 -1.100 756 2HB GLU 69 2HB GLU 69 16.223 6.275 -0.789 757 1HG GLU 69 1HG GLU 69 18.149 4.897 -0.307 758 2HG GLU 69 2HG GLU 69 17.544 5.540 1.218 759 QB GLU 69 QB GLU 69 16.025 5.431 -0.944 760 QG GLU 69 QG GLU 69 17.847 5.218 0.455 761 H GLY 70 H GLY 70 13.127 6.996 -0.312 762 1HA GLY 70 1HA GLY 70 14.071 9.456 1.049 763 2HA GLY 70 2HA GLY 70 12.868 9.350 -0.219 764 QA GLY 70 QA GLY 70 13.470 9.403 0.415 765 H LEU 71 H LEU 71 10.952 7.825 0.411 766 HA LEU 71 HA LEU 71 9.625 9.218 2.590 767 1HB LEU 71 1HB LEU 71 8.520 8.759 0.437 768 2HB LEU 71 2HB LEU 71 8.650 7.025 0.715 769 HG LEU 71 HG LEU 71 7.069 7.165 2.598 770 1HD1 LEU 71 2HD1 LEU 71 6.971 10.158 2.089 771 2HD1 LEU 71 3HD1 LEU 71 5.910 9.224 3.187 772 3HD1 LEU 71 1HD1 LEU 71 7.622 9.355 3.534 773 1HD2 LEU 71 1HD2 LEU 71 6.188 6.903 0.323 774 2HD2 LEU 71 2HD2 LEU 71 5.074 7.790 1.358 775 3HD2 LEU 71 3HD2 LEU 71 6.057 8.667 0.163 776 QB LEU 71 QB LEU 71 8.585 7.892 0.576 777 QD1 LEU 71 QD1 LEU 71 6.834 9.579 2.937 778 QD2 LEU 71 QD2 LEU 71 5.773 7.787 0.615 779 QQD LEU 71 QQD LEU 71 6.304 8.683 1.776 780 H LYS 72 H LYS 72 11.389 8.281 4.054 781 HA LYS 72 HA LYS 72 10.998 5.551 4.996 782 1HB LYS 72 1HB LYS 72 13.189 6.993 4.869 783 2HB LYS 72 2HB LYS 72 12.612 7.738 6.351 784 1HG LYS 72 1HG LYS 72 14.155 6.005 6.945 785 2HG LYS 72 2HG LYS 72 12.554 5.443 7.411 786 1HD LYS 72 1HD LYS 72 13.796 3.622 6.472 787 2HD LYS 72 2HD LYS 72 12.488 4.014 5.357 788 1HE LYS 72 1HE LYS 72 14.021 5.187 3.869 789 2HE LYS 72 2HE LYS 72 15.357 5.000 5.033 790 1HZ LYS 72 3HZ LYS 72 13.955 2.779 3.675 791 2HZ LYS 72 1HZ LYS 72 15.486 3.327 3.298 792 3HZ LYS 72 2HZ LYS 72 15.182 2.610 4.727 793 QB LYS 72 QB LYS 72 12.901 7.365 5.610 794 QG LYS 72 QG LYS 72 13.355 5.724 7.178 795 QD LYS 72 QD LYS 72 13.142 3.818 5.914 796 QE LYS 72 QE LYS 72 14.689 5.094 4.451 797 QZ LYS 72 QZ LYS 72 14.874 2.905 3.900 798 H GLY 73 H GLY 73 8.602 6.812 5.081 799 1HA GLY 73 1HA GLY 73 6.778 7.261 6.386 800 2HA GLY 73 2HA GLY 73 7.723 6.874 7.837 801 QA GLY 73 QA GLY 73 7.251 7.068 7.112 802 H SER 74 H SER 74 5.991 8.871 7.929 803 HA SER 74 HA SER 74 5.648 10.872 8.822 804 1HB SER 74 1HB SER 74 8.625 11.297 9.008 805 2HB SER 74 2HB SER 74 7.358 11.966 10.041 806 HG SER 74 HG SER 74 8.721 10.023 10.654 807 QB SER 74 QB SER 74 7.991 11.631 9.525 808 H GLY 75 H GLY 75 8.263 11.168 6.389 809 1HA GLY 75 1HA GLY 75 7.068 13.270 4.855 810 2HA GLY 75 2HA GLY 75 8.281 13.902 5.999 811 QA GLY 75 QA GLY 75 7.675 13.586 5.427 812 H CYS 76 H CYS 76 10.510 13.473 5.601 813 HA CYS 76 HA CYS 76 11.384 11.170 4.298 814 1HB CYS 76 1HB CYS 76 12.603 12.198 2.412 815 2HB CYS 76 2HB CYS 76 10.850 12.263 2.216 816 HG CYS 76 HG CYS 76 12.900 14.679 3.234 817 QB CYS 76 QB CYS 76 11.727 12.231 2.314 No H/Q in entry = 817 Start of MODEL 7 1 H MET 0 H MET 0 15.150 3.380 7.745 2 HA MET 0 HA MET 0 12.809 3.732 6.000 3 1HB MET 0 1HB MET 0 14.315 2.990 4.117 4 2HB MET 0 2HB MET 0 14.512 4.599 4.754 5 1HG MET 0 1HG MET 0 16.663 3.636 4.257 6 2HG MET 0 2HG MET 0 16.510 3.976 5.967 7 1HE MET 0 2HE MET 0 16.992 1.364 3.179 8 2HE MET 0 3HE MET 0 16.822 -0.191 4.005 9 3HE MET 0 1HE MET 0 15.390 0.794 3.685 10 QB MET 0 QB MET 0 14.413 3.794 4.436 11 QG MET 0 QG MET 0 16.587 3.806 5.112 12 QE MET 0 QE MET 0 16.401 0.656 3.623 13 H GLY 1 H GLY 1 13.609 1.132 4.516 14 1HA GLY 1 1HA GLY 1 13.536 -1.127 4.867 15 2HA GLY 1 2HA GLY 1 13.572 -0.884 6.618 16 QA GLY 1 QA GLY 1 13.554 -1.006 5.742 17 H LYS 2 H LYS 2 11.114 1.074 5.925 18 HA LYS 2 HA LYS 2 8.867 -0.755 6.067 19 1HB LYS 2 1HB LYS 2 9.262 2.137 5.179 20 2HB LYS 2 2HB LYS 2 7.711 1.339 4.980 21 1HG LYS 2 1HG LYS 2 9.076 1.495 7.682 22 2HG LYS 2 2HG LYS 2 8.082 2.811 7.061 23 1HD LYS 2 1HD LYS 2 7.049 -0.043 7.444 24 2HD LYS 2 2HD LYS 2 6.917 1.266 8.608 25 1HE LYS 2 1HE LYS 2 4.932 1.672 7.698 26 2HE LYS 2 2HE LYS 2 5.856 2.563 6.479 27 1HZ LYS 2 1HZ LYS 2 4.884 -0.238 6.282 28 2HZ LYS 2 2HZ LYS 2 4.248 1.046 5.509 29 3HZ LYS 2 3HZ LYS 2 5.737 0.507 5.087 30 QB LYS 2 QB LYS 2 8.486 1.738 5.079 31 QG LYS 2 QG LYS 2 8.579 2.153 7.372 32 QD LYS 2 QD LYS 2 6.983 0.612 8.026 33 QE LYS 2 QE LYS 2 5.394 2.118 7.088 34 QZ LYS 2 QZ LYS 2 4.956 0.438 5.626 35 H ASP 3 H ASP 3 7.741 -1.663 4.402 36 HA ASP 3 HA ASP 3 8.518 -1.116 1.595 37 1HB ASP 3 1HB ASP 3 6.738 -3.343 2.636 38 2HB ASP 3 2HB ASP 3 7.146 -3.031 0.955 39 QB ASP 3 QB ASP 3 6.942 -3.187 1.796 40 H TYR 4 H TYR 4 6.550 -0.906 0.281 41 HA TYR 4 HA TYR 4 4.104 0.031 1.645 42 1HB TYR 4 1HB TYR 4 5.658 1.670 -0.402 43 2HB TYR 4 2HB TYR 4 3.964 1.925 -0.006 44 HD1 TYR 4 2HD TYR 4 7.387 1.887 1.541 45 HD2 TYR 4 1HD TYR 4 3.320 3.263 1.811 46 HE1 TYR 4 2HE TYR 4 7.982 3.252 3.477 47 HE2 TYR 4 1HE TYR 4 3.892 4.593 3.829 48 HH TYR 4 HH TYR 4 7.308 5.018 4.756 49 QB TYR 4 QB TYR 4 4.811 1.797 -0.204 50 QG TYR 4 QD TYR 4 5.354 2.575 1.676 51 QZ TYR 4 QE TYR 4 5.937 3.923 3.653 52 QR TYR 4 QR TYR 4 5.645 3.249 2.665 53 H TYR 5 H TYR 5 5.639 -0.399 -1.601 54 HA TYR 5 HA TYR 5 3.670 -1.496 -3.125 55 1HB TYR 5 1HB TYR 5 6.643 -2.012 -2.814 56 2HB TYR 5 2HB TYR 5 5.703 -3.032 -3.868 57 HD1 TYR 5 2HD TYR 5 4.343 -2.062 -5.750 58 HD2 TYR 5 1HD TYR 5 7.432 0.141 -3.672 59 HE1 TYR 5 2HE TYR 5 4.614 -0.581 -7.704 60 HE2 TYR 5 1HE TYR 5 7.664 1.642 -5.632 61 HH TYR 5 HH TYR 5 6.754 2.240 -7.736 62 QB TYR 5 QB TYR 5 6.173 -2.522 -3.341 63 QG TYR 5 QD TYR 5 5.887 -0.960 -4.711 64 QZ TYR 5 QE TYR 5 6.139 0.531 -6.668 65 QR TYR 5 QR TYR 5 6.013 -0.215 -5.689 66 H GLN 6 H GLN 6 5.965 -3.671 -1.355 67 HA GLN 6 HA GLN 6 4.094 -5.764 -1.750 68 1HB GLN 6 1HB GLN 6 6.852 -5.585 -1.231 69 2HB GLN 6 2HB GLN 6 6.213 -6.381 0.198 70 1HG GLN 6 1HG GLN 6 6.065 -8.326 -0.946 71 2HG GLN 6 2HG GLN 6 4.931 -7.632 -2.075 72 1HE2 GLN 6 2HE2 GLN 6 7.310 -7.346 -4.707 73 2HE2 GLN 6 1HE2 GLN 6 5.665 -7.030 -4.161 74 QB GLN 6 QB GLN 6 6.533 -5.983 -0.516 75 QG GLN 6 QG GLN 6 5.498 -7.979 -1.510 76 QE2 GLN 6 QE2 GLN 6 6.487 -7.188 -4.434 77 H THR 7 H THR 7 4.395 -3.531 1.029 78 HA THR 7 HA THR 7 3.079 -5.201 2.900 79 HB THR 7 HB THR 7 2.639 -2.209 2.547 80 HG1 THR 7 1HG THR 7 4.562 -2.000 3.783 81 1HG2 THR 7 3HG2 THR 7 1.340 -3.330 4.373 82 2HG2 THR 7 1HG2 THR 7 2.862 -3.939 5.057 83 3HG2 THR 7 2HG2 THR 7 2.537 -2.193 5.003 84 QG2 THR 7 QG2 THR 7 2.246 -3.154 4.811 85 H LEU 8 H LEU 8 2.020 -3.534 0.040 86 HA LEU 8 HA LEU 8 -0.762 -4.346 0.519 87 1HB LEU 8 1HB LEU 8 -0.018 -1.866 0.153 88 2HB LEU 8 2HB LEU 8 0.102 -2.320 -1.529 89 HG LEU 8 HG LEU 8 -2.376 -3.105 -1.356 90 1HD1 LEU 8 1HD1 LEU 8 -2.384 -3.324 1.175 91 2HD1 LEU 8 2HD1 LEU 8 -2.126 -1.575 1.264 92 3HD1 LEU 8 3HD1 LEU 8 -3.634 -2.245 0.584 93 1HD2 LEU 8 2HD2 LEU 8 -1.602 -0.224 -0.878 94 2HD2 LEU 8 3HD2 LEU 8 -2.181 -1.017 -2.380 95 3HD2 LEU 8 1HD2 LEU 8 -3.272 -0.725 -1.010 96 QB LEU 8 QB LEU 8 0.042 -2.093 -0.688 97 QD1 LEU 8 QD1 LEU 8 -2.715 -2.381 1.007 98 QD2 LEU 8 QD2 LEU 8 -2.352 -0.655 -1.423 99 QQD LEU 8 QQD LEU 8 -2.533 -1.518 -0.208 100 H GLY 9 H GLY 9 1.644 -5.941 -0.591 101 1HA GLY 9 1HA GLY 9 1.727 -7.796 -1.900 102 2HA GLY 9 2HA GLY 9 -0.020 -7.625 -2.135 103 QA GLY 9 QA GLY 9 0.853 -7.711 -2.018 104 H LEU 10 H LEU 10 1.983 -4.941 -3.144 105 HA LEU 10 HA LEU 10 1.656 -5.714 -6.019 106 1HB LEU 10 1HB LEU 10 2.328 -3.047 -4.716 107 2HB LEU 10 2HB LEU 10 2.322 -3.335 -6.447 108 HG LEU 10 HG LEU 10 -0.208 -4.288 -5.444 109 1HD1 LEU 10 1HD1 LEU 10 0.570 -1.497 -4.509 110 2HD1 LEU 10 2HD1 LEU 10 -1.093 -2.127 -4.534 111 3HD1 LEU 10 3HD1 LEU 10 0.129 -2.909 -3.526 112 1HD2 LEU 10 1HD2 LEU 10 0.249 -3.468 -7.721 113 2HD2 LEU 10 2HD2 LEU 10 -1.127 -2.680 -6.968 114 3HD2 LEU 10 3HD2 LEU 10 0.421 -1.808 -7.088 115 QB LEU 10 QB LEU 10 2.325 -3.191 -5.582 116 QD1 LEU 10 QD1 LEU 10 -0.131 -2.177 -4.190 117 QD2 LEU 10 QD2 LEU 10 -0.152 -2.652 -7.259 118 QQD LEU 10 QQD LEU 10 -0.142 -2.415 -5.725 119 H ALA 11 H ALA 11 3.603 -4.908 -7.338 120 HA ALA 11 HA ALA 11 6.198 -5.328 -5.932 121 1HB ALA 11 2HB ALA 11 5.308 -6.336 -8.676 122 2HB ALA 11 3HB ALA 11 6.952 -6.445 -8.034 123 3HB ALA 11 1HB ALA 11 5.637 -7.342 -7.243 124 QB ALA 11 QB ALA 11 5.966 -6.708 -7.984 125 H ARG 12 H ARG 12 7.960 -4.219 -6.973 126 HA ARG 12 HA ARG 12 7.386 -1.652 -8.267 127 1HB ARG 12 1HB ARG 12 9.934 -3.315 -7.994 128 2HB ARG 12 2HB ARG 12 9.828 -1.902 -9.030 129 1HG ARG 12 1HG ARG 12 10.764 -1.042 -7.160 130 2HG ARG 12 2HG ARG 12 9.094 -0.541 -6.997 131 1HD ARG 12 1HD ARG 12 8.711 -1.935 -5.152 132 2HD ARG 12 2HD ARG 12 9.920 -3.116 -5.644 133 HE ARG 12 HE ARG 12 10.350 -0.749 -4.003 134 1HH1 ARG 12 2HH2 ARG 12 11.932 -3.232 -5.992 135 2HH1 ARG 12 1HH2 ARG 12 13.528 -2.636 -5.747 136 1HH2 ARG 12 2HH1 ARG 12 12.577 -0.070 -3.471 137 2HH2 ARG 12 1HH1 ARG 12 13.854 -0.772 -4.406 138 QB ARG 12 QB ARG 12 9.881 -2.609 -8.512 139 QG ARG 12 QG ARG 12 9.929 -0.791 -7.079 140 QD ARG 12 QD ARG 12 9.315 -2.526 -5.398 141 QH1 ARG 12 QH2 ARG 12 12.730 -2.934 -5.869 142 QH2 ARG 12 QH1 ARG 12 13.215 -0.421 -3.939 143 H GLY 13 H GLY 13 6.510 -1.551 -10.231 144 1HA GLY 13 1HA GLY 13 6.884 -2.426 -12.663 145 2HA GLY 13 2HA GLY 13 6.407 -3.961 -11.923 146 QA GLY 13 QA GLY 13 6.645 -3.193 -12.293 147 H ALA 14 H ALA 14 4.570 -2.525 -9.945 148 HA ALA 14 HA ALA 14 2.148 -2.544 -11.426 149 1HB ALA 14 1HB ALA 14 2.845 -1.240 -8.754 150 2HB ALA 14 2HB ALA 14 1.217 -1.529 -9.347 151 3HB ALA 14 3HB ALA 14 2.282 -2.906 -8.984 152 QB ALA 14 QB ALA 14 2.115 -1.892 -9.028 153 H SER 15 H SER 15 0.661 -0.763 -11.758 154 HA SER 15 HA SER 15 1.644 2.008 -11.635 155 1HB SER 15 1HB SER 15 0.314 2.473 -13.707 156 2HB SER 15 2HB SER 15 1.680 1.392 -14.023 157 HG SER 15 HG SER 15 0.184 0.201 -14.877 158 QB SER 15 QB SER 15 0.997 1.932 -13.865 159 H ASP 16 H ASP 16 -0.466 3.425 -11.643 160 HA ASP 16 HA ASP 16 -1.869 2.580 -9.456 161 1HB ASP 16 1HB ASP 16 -3.204 4.514 -9.508 162 2HB ASP 16 2HB ASP 16 -1.539 4.870 -9.945 163 QB ASP 16 QB ASP 16 -2.371 4.692 -9.726 164 H GLU 17 H GLU 17 -2.628 1.652 -12.669 165 HA GLU 17 HA GLU 17 -5.388 0.833 -12.106 166 1HB GLU 17 1HB GLU 17 -4.492 1.427 -14.387 167 2HB GLU 17 2HB GLU 17 -3.422 0.028 -14.297 168 1HG GLU 17 1HG GLU 17 -5.397 -0.448 -15.669 169 2HG GLU 17 2HG GLU 17 -5.360 -1.492 -14.268 170 QB GLU 17 QB GLU 17 -3.957 0.727 -14.342 171 QG GLU 17 QG GLU 17 -5.379 -0.970 -14.968 172 H GLU 18 H GLU 18 -2.305 -0.430 -11.300 173 HA GLU 18 HA GLU 18 -3.369 -3.132 -10.699 174 1HB GLU 18 1HB GLU 18 -0.813 -1.971 -11.408 175 2HB GLU 18 2HB GLU 18 -0.694 -2.496 -9.744 176 1HG GLU 18 1HG GLU 18 -1.547 -4.239 -12.066 177 2HG GLU 18 2HG GLU 18 0.075 -4.155 -11.404 178 QB GLU 18 QB GLU 18 -0.754 -2.233 -10.576 179 QG GLU 18 QG GLU 18 -0.736 -4.197 -11.735 180 H ILE 19 H ILE 19 -2.533 0.048 -9.334 181 HA ILE 19 HA ILE 19 -2.099 -0.729 -6.639 182 HB ILE 19 HB ILE 19 -2.952 1.924 -7.810 183 1HG1 ILE 19 1HG1 ILE 19 -0.602 0.975 -8.298 184 2HG1 ILE 19 2HG1 ILE 19 -0.701 2.614 -7.665 185 1HG2 ILE 19 2HG2 ILE 19 -2.260 1.340 -4.924 186 2HG2 ILE 19 3HG2 ILE 19 -2.283 2.951 -5.684 187 3HG2 ILE 19 1HG2 ILE 19 -3.764 2.030 -5.568 188 1HD1 ILE 19 3HD1 ILE 19 -0.145 0.241 -5.893 189 2HD1 ILE 19 1HD1 ILE 19 1.117 1.142 -6.763 190 3HD1 ILE 19 2HD1 ILE 19 0.096 1.984 -5.581 191 QG1 ILE 19 QG1 ILE 19 -0.652 1.794 -7.981 192 QG2 ILE 19 QG2 ILE 19 -2.769 2.107 -5.392 193 QD1 ILE 19 QD1 ILE 19 0.356 1.122 -6.079 194 H LYS 20 H LYS 20 -5.024 0.946 -7.963 195 HA LYS 20 HA LYS 20 -6.418 0.463 -5.501 196 1HB LYS 20 1HB LYS 20 -7.503 1.250 -8.195 197 2HB LYS 20 2HB LYS 20 -8.555 0.848 -6.842 198 1HG LYS 20 1HG LYS 20 -7.456 2.493 -5.410 199 2HG LYS 20 2HG LYS 20 -6.390 2.987 -6.723 200 1HD LYS 20 1HD LYS 20 -9.439 3.101 -6.923 201 2HD LYS 20 2HD LYS 20 -8.518 4.419 -6.229 202 1HE LYS 20 1HE LYS 20 -8.149 3.343 -9.049 203 2HE LYS 20 2HE LYS 20 -9.079 4.776 -8.624 204 1HZ LYS 20 2HZ LYS 20 -6.179 4.486 -8.118 205 2HZ LYS 20 3HZ LYS 20 -6.847 5.305 -9.370 206 3HZ LYS 20 1HZ LYS 20 -7.078 5.818 -7.823 207 QB LYS 20 QB LYS 20 -8.029 1.049 -7.519 208 QG LYS 20 QG LYS 20 -6.923 2.740 -6.067 209 QD LYS 20 QD LYS 20 -8.978 3.760 -6.576 210 QE LYS 20 QE LYS 20 -8.614 4.059 -8.837 211 QZ LYS 20 QZ LYS 20 -6.701 5.203 -8.437 212 H ARG 21 H ARG 21 -6.246 -1.418 -8.445 213 HA ARG 21 HA ARG 21 -7.985 -3.512 -8.035 214 1HB ARG 21 1HB ARG 21 -5.857 -2.813 -9.724 215 2HB ARG 21 2HB ARG 21 -5.228 -4.235 -8.954 216 1HG ARG 21 1HG ARG 21 -6.238 -4.884 -10.973 217 2HG ARG 21 2HG ARG 21 -7.313 -5.475 -9.687 218 1HD ARG 21 1HD ARG 21 -8.917 -3.750 -10.126 219 2HD ARG 21 2HD ARG 21 -7.765 -2.801 -11.072 220 HE ARG 21 HE ARG 21 -9.104 -5.317 -11.888 221 1HH1 ARG 21 2HH2 ARG 21 -7.068 -2.494 -12.885 222 2HH1 ARG 21 1HH2 ARG 21 -7.138 -2.944 -14.551 223 1HH2 ARG 21 2HH1 ARG 21 -9.098 -5.821 -14.132 224 2HH2 ARG 21 1HH1 ARG 21 -8.169 -4.854 -15.233 225 QB ARG 21 QB ARG 21 -5.542 -3.524 -9.339 226 QG ARG 21 QG ARG 21 -6.775 -5.179 -10.330 227 QD ARG 21 QD ARG 21 -8.341 -3.275 -10.599 228 QH1 ARG 21 QH2 ARG 21 -7.103 -2.719 -13.718 229 QH2 ARG 21 QH1 ARG 21 -8.633 -5.337 -14.683 230 H ALA 22 H ALA 22 -4.628 -3.298 -6.817 231 HA ALA 22 HA ALA 22 -4.826 -5.582 -5.040 232 1HB ALA 22 1HB ALA 22 -2.801 -3.344 -5.254 233 2HB ALA 22 2HB ALA 22 -2.594 -4.834 -4.310 234 3HB ALA 22 3HB ALA 22 -2.712 -4.909 -6.082 235 QB ALA 22 QB ALA 22 -2.703 -4.362 -5.216 236 H TYR 23 H TYR 23 -5.222 -1.981 -4.441 237 HA TYR 23 HA TYR 23 -4.909 -2.189 -1.653 238 1HB TYR 23 1HB TYR 23 -4.489 -0.059 -2.506 239 2HB TYR 23 2HB TYR 23 -5.450 -0.318 -3.873 240 HD1 TYR 23 1HD TYR 23 -7.959 -0.067 -3.866 241 HD2 TYR 23 2HD TYR 23 -5.222 1.524 -0.905 242 HE1 TYR 23 1HE TYR 23 -9.522 1.739 -3.428 243 HE2 TYR 23 2HE TYR 23 -6.801 3.363 -0.468 244 HH TYR 23 HH TYR 23 -8.889 4.168 -0.850 245 QB TYR 23 QB TYR 23 -4.969 -0.189 -3.189 246 QG TYR 23 QD TYR 23 -6.590 0.728 -2.386 247 QZ TYR 23 QE TYR 23 -8.161 2.551 -1.948 248 QR TYR 23 QR TYR 23 -7.376 1.640 -2.167 249 H ARG 24 H ARG 24 -7.733 -2.271 -3.844 250 HA ARG 24 HA ARG 24 -9.693 -2.149 -1.783 251 1HB ARG 24 1HB ARG 24 -9.748 -1.888 -4.444 252 2HB ARG 24 2HB ARG 24 -10.238 -3.580 -4.389 253 1HG ARG 24 1HG ARG 24 -12.182 -2.915 -2.957 254 2HG ARG 24 2HG ARG 24 -11.564 -1.249 -2.915 255 1HD ARG 24 1HD ARG 24 -13.170 -1.183 -4.662 256 2HD ARG 24 2HD ARG 24 -11.634 -1.266 -5.471 257 HE ARG 24 HE ARG 24 -12.175 -3.275 -6.354 258 1HH1 ARG 24 2HH2 ARG 24 -14.577 -2.413 -3.896 259 2HH1 ARG 24 1HH2 ARG 24 -15.770 -3.517 -4.425 260 1HH2 ARG 24 2HH1 ARG 24 -13.621 -5.029 -6.885 261 2HH2 ARG 24 1HH1 ARG 24 -15.263 -4.872 -6.318 262 QB ARG 24 QB ARG 24 -9.993 -2.734 -4.416 263 QG ARG 24 QG ARG 24 -11.873 -2.082 -2.936 264 QD ARG 24 QD ARG 24 -12.402 -1.224 -5.066 265 QH1 ARG 24 QH2 ARG 24 -15.173 -2.965 -4.160 266 QH2 ARG 24 QH1 ARG 24 -14.442 -4.951 -6.601 267 H ARG 25 H ARG 25 -8.333 -4.949 -3.607 268 HA ARG 25 HA ARG 25 -9.642 -6.878 -1.945 269 1HB ARG 25 1HB ARG 25 -8.209 -8.558 -2.942 270 2HB ARG 25 2HB ARG 25 -8.906 -7.495 -4.150 271 1HG ARG 25 1HG ARG 25 -6.800 -7.704 -4.982 272 2HG ARG 25 2HG ARG 25 -6.656 -6.245 -4.045 273 1HD ARG 25 1HD ARG 25 -4.717 -7.367 -3.457 274 2HD ARG 25 2HD ARG 25 -5.759 -7.861 -2.132 275 HE ARG 25 HE ARG 25 -6.242 -9.953 -3.403 276 1HH1 ARG 25 2HH2 ARG 25 -3.125 -8.276 -4.031 277 2HH1 ARG 25 1HH2 ARG 25 -2.508 -9.599 -4.961 278 1HH2 ARG 25 2HH1 ARG 25 -5.292 -11.720 -4.514 279 2HH2 ARG 25 1HH1 ARG 25 -3.629 -11.660 -4.952 280 QB ARG 25 QB ARG 25 -8.558 -8.026 -3.546 281 QG ARG 25 QG ARG 25 -6.728 -6.974 -4.513 282 QD ARG 25 QD ARG 25 -5.238 -7.614 -2.794 283 QH1 ARG 25 QH2 ARG 25 -2.817 -8.937 -4.496 284 QH2 ARG 25 QH1 ARG 25 -4.460 -11.690 -4.733 285 H GLN 26 H GLN 26 -6.515 -5.091 -1.439 286 HA GLN 26 HA GLN 26 -5.570 -6.997 0.415 287 1HB GLN 26 1HB GLN 26 -4.879 -4.228 -0.453 288 2HB GLN 26 2HB GLN 26 -4.370 -4.631 1.174 289 1HG GLN 26 1HG GLN 26 -3.738 -6.275 -1.318 290 2HG GLN 26 2HG GLN 26 -2.677 -5.113 -0.548 291 1HE2 GLN 26 2HE2 GLN 26 -1.636 -7.285 2.100 292 2HE2 GLN 26 1HE2 GLN 26 -1.704 -5.631 1.614 293 QB GLN 26 QB GLN 26 -4.624 -4.429 0.360 294 QG GLN 26 QG GLN 26 -3.208 -5.694 -0.933 295 QE2 GLN 26 QE2 GLN 26 -1.670 -6.458 1.857 296 H ALA 27 H ALA 27 -7.506 -3.986 0.963 297 HA ALA 27 HA ALA 27 -7.632 -4.311 3.804 298 1HB ALA 27 3HB ALA 27 -9.696 -3.163 1.866 299 2HB ALA 27 1HB ALA 27 -9.796 -3.074 3.640 300 3HB ALA 27 2HB ALA 27 -8.462 -2.276 2.802 301 QB ALA 27 QB ALA 27 -9.318 -2.837 2.770 302 H LEU 28 H LEU 28 -9.754 -5.560 1.199 303 HA LEU 28 HA LEU 28 -11.498 -7.051 2.786 304 1HB LEU 28 1HB LEU 28 -11.487 -6.374 0.230 305 2HB LEU 28 2HB LEU 28 -10.618 -7.882 0.006 306 HG LEU 28 HG LEU 28 -12.810 -8.660 1.558 307 1HD1 LEU 28 2HD1 LEU 28 -13.836 -6.430 1.297 308 2HD1 LEU 28 3HD1 LEU 28 -13.797 -6.619 -0.470 309 3HD1 LEU 28 1HD1 LEU 28 -14.797 -7.700 0.527 310 1HD2 LEU 28 1HD2 LEU 28 -12.544 -8.661 -1.469 311 2HD2 LEU 28 2HD2 LEU 28 -11.948 -9.910 -0.342 312 3HD2 LEU 28 3HD2 LEU 28 -13.689 -9.646 -0.534 313 QB LEU 28 QB LEU 28 -11.052 -7.128 0.118 314 QD1 LEU 28 QD1 LEU 28 -14.143 -6.917 0.451 315 QD2 LEU 28 QD2 LEU 28 -12.727 -9.406 -0.782 316 QQD LEU 28 QQD LEU 28 -13.435 -8.161 -0.165 317 H ARG 29 H ARG 29 -8.124 -7.832 2.269 318 HA ARG 29 HA ARG 29 -8.489 -10.713 2.566 319 1HB ARG 29 1HB ARG 29 -6.921 -9.750 0.938 320 2HB ARG 29 2HB ARG 29 -6.102 -8.863 2.200 321 1HG ARG 29 1HG ARG 29 -4.741 -10.669 1.553 322 2HG ARG 29 2HG ARG 29 -5.291 -10.902 3.209 323 1HD ARG 29 1HD ARG 29 -6.664 -12.259 0.851 324 2HD ARG 29 2HD ARG 29 -5.204 -12.934 1.587 325 HE ARG 29 HE ARG 29 -6.888 -12.425 3.711 326 1HH1 ARG 29 2HH2 ARG 29 -6.995 -14.617 0.844 327 2HH1 ARG 29 1HH2 ARG 29 -8.241 -15.585 1.553 328 1HH2 ARG 29 2HH1 ARG 29 -8.127 -14.019 4.715 329 2HH2 ARG 29 1HH1 ARG 29 -8.748 -15.372 3.875 330 QB ARG 29 QB ARG 29 -6.512 -9.307 1.569 331 QG ARG 29 QG ARG 29 -5.016 -10.785 2.381 332 QD ARG 29 QD ARG 29 -5.934 -12.597 1.219 333 QH1 ARG 29 QH2 ARG 29 -7.618 -15.101 1.199 334 QH2 ARG 29 QH1 ARG 29 -8.437 -14.696 4.295 335 H TYR 30 H TYR 30 -7.798 -7.888 4.568 336 HA TYR 30 HA TYR 30 -7.221 -9.723 6.875 337 1HB TYR 30 1HB TYR 30 -5.866 -7.057 6.301 338 2HB TYR 30 2HB TYR 30 -5.547 -8.097 7.672 339 HD1 TYR 30 2HD TYR 30 -4.220 -10.128 7.452 340 HD2 TYR 30 1HD TYR 30 -4.977 -7.561 4.102 341 HE1 TYR 30 2HE TYR 30 -2.339 -11.207 6.229 342 HE2 TYR 30 1HE TYR 30 -3.164 -8.646 2.837 343 HH TYR 30 HH TYR 30 -0.938 -11.002 4.292 344 QB TYR 30 QB TYR 30 -5.707 -7.577 6.987 345 QG TYR 30 QD TYR 30 -4.599 -8.844 5.777 346 QZ TYR 30 QE TYR 30 -2.752 -9.927 4.533 347 QR TYR 30 QR TYR 30 -3.675 -9.386 5.155 348 H HIS 31 H HIS 31 -9.373 -7.300 5.824 349 HA HIS 31 HA HIS 31 -9.600 -5.769 8.157 350 1HB HIS 31 1HB HIS 31 -10.636 -5.403 5.832 351 2HB HIS 31 2HB HIS 31 -11.882 -6.508 6.317 352 HD1 HIS 31 1HD HIS 31 -10.464 -3.703 8.635 353 HD2 HIS 31 2HD HIS 31 -13.727 -4.609 6.153 354 HE1 HIS 31 1HE HIS 31 -12.224 -1.910 9.080 355 QB HIS 31 QB HIS 31 -11.259 -5.956 6.074 356 HA PRO 32 HA PRO 32 -10.889 -9.110 10.791 357 1HB PRO 32 1HB PRO 32 -11.274 -7.822 13.169 358 2HB PRO 32 2HB PRO 32 -9.663 -8.032 12.417 359 1HG PRO 32 1HG PRO 32 -11.493 -5.617 12.245 360 2HG PRO 32 2HG PRO 32 -9.752 -5.655 12.681 361 1HD PRO 32 1HD PRO 32 -10.600 -5.104 10.165 362 2HD PRO 32 2HD PRO 32 -9.106 -6.060 10.444 363 QB PRO 32 QB PRO 32 -10.469 -7.927 12.793 364 QG PRO 32 QG PRO 32 -10.623 -5.636 12.463 365 QD PRO 32 QD PRO 32 -9.853 -5.582 10.305 366 H ASP 33 H ASP 33 -13.041 -7.123 9.328 367 HA ASP 33 HA ASP 33 -15.451 -7.839 10.830 368 1HB ASP 33 1HB ASP 33 -16.576 -6.440 9.312 369 2HB ASP 33 2HB ASP 33 -15.046 -5.601 9.558 370 QB ASP 33 QB ASP 33 -15.811 -6.021 9.435 371 H LYS 34 H LYS 34 -13.344 -9.014 8.370 372 HA LYS 34 HA LYS 34 -15.283 -11.117 7.498 373 1HB LYS 34 1HB LYS 34 -15.172 -9.442 5.798 374 2HB LYS 34 2HB LYS 34 -13.419 -9.278 5.968 375 1HG LYS 34 1HG LYS 34 -13.030 -11.484 5.020 376 2HG LYS 34 2HG LYS 34 -14.786 -11.772 4.901 377 1HD LYS 34 1HD LYS 34 -14.997 -10.116 3.166 378 2HD LYS 34 2HD LYS 34 -13.411 -9.432 3.550 379 1HE LYS 34 1HE LYS 34 -13.283 -10.797 1.499 380 2HE LYS 34 2HE LYS 34 -12.255 -11.424 2.786 381 1HZ LYS 34 2HZ LYS 34 -14.069 -13.031 3.267 382 2HZ LYS 34 3HZ LYS 34 -14.864 -12.503 1.910 383 3HZ LYS 34 1HZ LYS 34 -13.409 -13.229 1.772 384 QB LYS 34 QB LYS 34 -14.295 -9.360 5.883 385 QG LYS 34 QG LYS 34 -13.908 -11.628 4.960 386 QD LYS 34 QD LYS 34 -14.204 -9.774 3.358 387 QE LYS 34 QE LYS 34 -12.769 -11.111 2.142 388 QZ LYS 34 QZ LYS 34 -14.114 -12.921 2.316 389 H ASN 35 H ASN 35 -11.845 -10.356 8.311 390 HA ASN 35 HA ASN 35 -11.309 -13.236 8.305 391 1HB ASN 35 1HB ASN 35 -10.544 -12.269 6.022 392 2HB ASN 35 2HB ASN 35 -9.381 -11.308 6.933 393 1HD2 ASN 35 2HD2 ASN 35 -7.078 -13.929 6.645 394 2HD2 ASN 35 1HD2 ASN 35 -7.543 -12.322 6.132 395 QB ASN 35 QB ASN 35 -9.963 -11.788 6.478 396 QD2 ASN 35 QD2 ASN 35 -7.311 -13.125 6.388 397 H LYS 36 H LYS 36 -10.933 -13.314 10.459 398 HA LYS 36 HA LYS 36 -9.249 -11.209 11.726 399 1HB LYS 36 1HB LYS 36 -10.810 -13.450 12.935 400 2HB LYS 36 2HB LYS 36 -9.629 -12.472 13.828 401 1HG LYS 36 1HG LYS 36 -10.897 -10.402 13.197 402 2HG LYS 36 2HG LYS 36 -12.087 -11.397 12.358 403 1HD LYS 36 1HD LYS 36 -12.997 -10.755 14.480 404 2HD LYS 36 2HD LYS 36 -12.702 -12.492 14.479 405 1HE LYS 36 1HE LYS 36 -12.058 -11.581 16.627 406 2HE LYS 36 2HE LYS 36 -10.610 -12.146 15.789 407 1HZ LYS 36 3HZ LYS 36 -11.448 -9.303 15.896 408 2HZ LYS 36 1HZ LYS 36 -10.334 -10.004 16.873 409 3HZ LYS 36 2HZ LYS 36 -10.027 -9.891 15.293 410 QB LYS 36 QB LYS 36 -10.220 -12.961 13.381 411 QG LYS 36 QG LYS 36 -11.492 -10.899 12.778 412 QD LYS 36 QD LYS 36 -12.849 -11.624 14.479 413 QE LYS 36 QE LYS 36 -11.334 -11.863 16.208 414 QZ LYS 36 QZ LYS 36 -10.603 -9.733 16.021 415 H GLU 37 H GLU 37 -7.529 -11.701 10.300 416 HA GLU 37 HA GLU 37 -6.584 -14.320 9.789 417 1HB GLU 37 1HB GLU 37 -6.412 -12.404 8.266 418 2HB GLU 37 2HB GLU 37 -5.514 -11.509 9.432 419 1HG GLU 37 1HG GLU 37 -3.993 -12.314 7.799 420 2HG GLU 37 2HG GLU 37 -3.661 -13.203 9.286 421 QB GLU 37 QB GLU 37 -5.963 -11.956 8.849 422 QG GLU 37 QG GLU 37 -3.827 -12.758 8.543 423 HA PRO 38 HA PRO 38 -4.486 -14.540 13.784 424 1HB PRO 38 1HB PRO 38 -2.406 -16.336 13.202 425 2HB PRO 38 2HB PRO 38 -4.081 -16.745 13.674 426 1HG PRO 38 1HG PRO 38 -2.909 -16.586 10.894 427 2HG PRO 38 2HG PRO 38 -4.029 -17.808 11.576 428 1HD PRO 38 1HD PRO 38 -4.945 -15.818 10.010 429 2HD PRO 38 2HD PRO 38 -5.856 -16.317 11.465 430 QB PRO 38 QB PRO 38 -3.243 -16.540 13.438 431 QG PRO 38 QG PRO 38 -3.469 -17.197 11.235 432 QD PRO 38 QD PRO 38 -5.401 -16.068 10.737 433 H GLY 39 H GLY 39 -3.345 -12.909 14.582 434 1HA GLY 39 1HA GLY 39 -1.609 -11.537 15.115 435 2HA GLY 39 2HA GLY 39 -0.568 -12.516 14.088 436 QA GLY 39 QA GLY 39 -1.088 -12.026 14.602 437 H ALA 40 H ALA 40 -2.496 -11.807 11.781 438 HA ALA 40 HA ALA 40 -1.028 -9.581 10.691 439 1HB ALA 40 3HB ALA 40 -2.003 -11.591 9.488 440 2HB ALA 40 1HB ALA 40 -3.579 -10.785 9.694 441 3HB ALA 40 2HB ALA 40 -2.308 -10.017 8.742 442 QB ALA 40 QB ALA 40 -2.630 -10.798 9.308 443 H GLU 41 H GLU 41 -3.122 -9.237 13.134 444 HA GLU 41 HA GLU 41 -4.843 -7.111 12.198 445 1HB GLU 41 1HB GLU 41 -5.130 -8.520 14.264 446 2HB GLU 41 2HB GLU 41 -3.755 -7.687 14.978 447 1HG GLU 41 1HG GLU 41 -4.982 -5.533 14.818 448 2HG GLU 41 2HG GLU 41 -6.355 -6.373 14.061 449 QB GLU 41 QB GLU 41 -4.442 -8.104 14.621 450 QG GLU 41 QG GLU 41 -5.669 -5.953 14.439 451 H GLU 42 H GLU 42 -1.490 -7.379 13.354 452 HA GLU 42 HA GLU 42 -0.700 -4.615 13.189 453 1HB GLU 42 1HB GLU 42 0.734 -6.130 14.238 454 2HB GLU 42 2HB GLU 42 0.667 -7.267 12.891 455 1HG GLU 42 1HG GLU 42 2.785 -6.087 13.137 456 2HG GLU 42 2HG GLU 42 2.086 -5.968 11.530 457 QB GLU 42 QB GLU 42 0.700 -6.698 13.565 458 QG GLU 42 QG GLU 42 2.436 -6.027 12.334 459 H LYS 43 H LYS 43 -0.769 -7.265 10.811 460 HA LYS 43 HA LYS 43 0.330 -5.876 8.674 461 1HB LYS 43 1HB LYS 43 -0.542 -8.431 9.036 462 2HB LYS 43 2HB LYS 43 -1.853 -7.853 8.043 463 1HG LYS 43 1HG LYS 43 -0.321 -8.719 6.473 464 2HG LYS 43 2HG LYS 43 -0.041 -6.977 6.446 465 1HD LYS 43 1HD LYS 43 1.782 -7.622 8.330 466 2HD LYS 43 2HD LYS 43 1.690 -9.195 7.557 467 1HE LYS 43 1HE LYS 43 2.333 -6.539 6.184 468 2HE LYS 43 2HE LYS 43 3.519 -7.754 6.673 469 1HZ LYS 43 3HZ LYS 43 2.505 -9.306 5.133 470 2HZ LYS 43 1HZ LYS 43 1.415 -8.163 4.623 471 3HZ LYS 43 2HZ LYS 43 3.020 -7.992 4.347 472 QB LYS 43 QB LYS 43 -1.197 -8.142 8.539 473 QG LYS 43 QG LYS 43 -0.181 -7.848 6.460 474 QD LYS 43 QD LYS 43 1.736 -8.408 7.944 475 QE LYS 43 QE LYS 43 2.926 -7.146 6.429 476 QZ LYS 43 QZ LYS 43 2.313 -8.487 4.701 477 H PHE 44 H PHE 44 -3.027 -6.213 9.631 478 HA PHE 44 HA PHE 44 -4.309 -4.703 7.649 479 1HB PHE 44 1HB PHE 44 -5.500 -5.909 9.451 480 2HB PHE 44 2HB PHE 44 -5.005 -4.688 10.610 481 HD1 PHE 44 1HD PHE 44 -7.076 -5.296 7.589 482 HD2 PHE 44 2HD PHE 44 -6.043 -2.464 10.671 483 HE1 PHE 44 1HE PHE 44 -8.858 -3.781 6.795 484 HE2 PHE 44 2HE PHE 44 -7.888 -0.987 9.920 485 1HZ PHE 44 HZ PHE 44 -9.275 -1.623 7.961 486 QB PHE 44 QB PHE 44 -5.252 -5.299 10.030 487 QG PHE 44 QD PHE 44 -6.559 -3.880 9.130 488 QZ PHE 44 QE PHE 44 -8.373 -2.384 8.358 489 QZ PHE 44 QR PHE 44 -7.828 -2.830 8.587 490 H LYS 45 H LYS 45 -2.891 -3.341 10.704 491 HA LYS 45 HA LYS 45 -3.490 -0.687 9.758 492 1HB LYS 45 1HB LYS 45 -2.294 0.153 11.750 493 2HB LYS 45 2HB LYS 45 -3.699 -0.872 12.010 494 1HG LYS 45 1HG LYS 45 -2.155 -2.801 12.491 495 2HG LYS 45 2HG LYS 45 -0.786 -1.675 12.400 496 1HD LYS 45 1HD LYS 45 -1.682 -0.374 14.271 497 2HD LYS 45 2HD LYS 45 -3.215 -1.256 14.207 498 1HE LYS 45 1HE LYS 45 -2.014 -2.094 16.082 499 2HE LYS 45 2HE LYS 45 -2.049 -3.360 14.848 500 1HZ LYS 45 1HZ LYS 45 0.241 -1.550 15.334 501 2HZ LYS 45 2HZ LYS 45 0.107 -3.121 15.873 502 3HZ LYS 45 3HZ LYS 45 0.228 -2.783 14.284 503 QB LYS 45 QB LYS 45 -2.997 -0.360 11.880 504 QG LYS 45 QG LYS 45 -1.470 -2.238 12.445 505 QD LYS 45 QD LYS 45 -2.449 -0.815 14.239 506 QE LYS 45 QE LYS 45 -2.032 -2.727 15.465 507 QZ LYS 45 QZ LYS 45 0.192 -2.485 15.164 508 H GLU 46 H GLU 46 -0.472 -2.690 9.567 509 HA GLU 46 HA GLU 46 0.996 -0.523 8.596 510 1HB GLU 46 1HB GLU 46 1.410 -3.219 9.170 511 2HB GLU 46 2HB GLU 46 1.814 -3.109 7.458 512 1HG GLU 46 1HG GLU 46 2.950 -0.826 8.721 513 2HG GLU 46 2HG GLU 46 3.222 -2.135 9.836 514 QB GLU 46 QB GLU 46 1.612 -3.164 8.314 515 QG GLU 46 QG GLU 46 3.086 -1.481 9.278 516 H ILE 47 H ILE 47 -1.105 -2.883 6.963 517 HA ILE 47 HA ILE 47 -0.819 -1.978 4.306 518 HB ILE 47 HB ILE 47 -3.119 -3.243 5.845 519 1HG1 ILE 47 1HG1 ILE 47 -1.532 -4.137 3.428 520 2HG1 ILE 47 2HG1 ILE 47 -1.010 -4.486 5.061 521 1HG2 ILE 47 3HG2 ILE 47 -3.187 -2.112 3.057 522 2HG2 ILE 47 1HG2 ILE 47 -4.283 -3.412 3.545 523 3HG2 ILE 47 2HG2 ILE 47 -4.327 -1.839 4.333 524 1HD1 ILE 47 1HD1 ILE 47 -3.202 -5.657 5.483 525 2HD1 ILE 47 2HD1 ILE 47 -3.559 -5.489 3.745 526 3HD1 ILE 47 3HD1 ILE 47 -2.149 -6.419 4.280 527 QG1 ILE 47 QG1 ILE 47 -1.271 -4.312 4.244 528 QG2 ILE 47 QG2 ILE 47 -3.932 -2.454 3.645 529 QD1 ILE 47 QD1 ILE 47 -2.970 -5.855 4.503 530 H ALA 48 H ALA 48 -2.838 -0.651 7.022 531 HA ALA 48 HA ALA 48 -4.059 1.402 5.494 532 1HB ALA 48 2HB ALA 48 -4.777 0.640 7.768 533 2HB ALA 48 3HB ALA 48 -3.400 1.549 8.448 534 3HB ALA 48 1HB ALA 48 -4.663 2.392 7.545 535 QB ALA 48 QB ALA 48 -4.280 1.527 7.920 536 H GLU 49 H GLU 49 -0.966 1.378 7.237 537 HA GLU 49 HA GLU 49 -0.384 4.144 6.788 538 1HB GLU 49 1HB GLU 49 0.817 2.431 8.392 539 2HB GLU 49 2HB GLU 49 1.764 1.983 6.988 540 1HG GLU 49 1HG GLU 49 2.927 3.644 8.376 541 2HG GLU 49 2HG GLU 49 2.575 4.304 6.779 542 QB GLU 49 QB GLU 49 1.290 2.207 7.690 543 QG GLU 49 QG GLU 49 2.751 3.974 7.577 544 H ALA 50 H ALA 50 0.289 1.197 4.915 545 HA ALA 50 HA ALA 50 1.709 2.629 2.826 546 1HB ALA 50 2HB ALA 50 2.134 0.227 3.259 547 2HB ALA 50 3HB ALA 50 0.454 -0.151 2.813 548 3HB ALA 50 1HB ALA 50 1.570 0.490 1.593 549 QB ALA 50 QB ALA 50 1.386 0.189 2.555 550 H TYR 51 H TYR 51 -1.627 2.000 3.574 551 HA TYR 51 HA TYR 51 -2.768 2.007 0.987 552 1HB TYR 51 1HB TYR 51 -3.619 1.514 3.532 553 2HB TYR 51 2HB TYR 51 -4.269 3.104 3.376 554 HD1 TYR 51 1HD TYR 51 -3.997 -0.214 1.834 555 HD2 TYR 51 2HD TYR 51 -6.550 3.191 2.476 556 HE1 TYR 51 1HE TYR 51 -5.909 -1.532 1.017 557 HE2 TYR 51 2HE TYR 51 -8.486 1.893 1.627 558 HH TYR 51 HH TYR 51 -8.049 -1.387 0.262 559 QB TYR 51 QB TYR 51 -3.944 2.309 3.454 560 QG TYR 51 QD TYR 51 -5.273 1.488 2.155 561 QZ TYR 51 QE TYR 51 -7.198 0.181 1.322 562 QR TYR 51 QR TYR 51 -6.236 0.834 1.738 563 H ASP 52 H ASP 52 -2.299 4.481 3.480 564 HA ASP 52 HA ASP 52 -3.421 6.715 2.230 565 1HB ASP 52 1HB ASP 52 -2.429 6.453 4.610 566 2HB ASP 52 2HB ASP 52 -0.887 6.933 3.898 567 QB ASP 52 QB ASP 52 -1.658 6.693 4.254 568 H VAL 53 H VAL 53 -0.012 5.603 2.002 569 HA VAL 53 HA VAL 53 0.809 7.591 0.086 570 HB VAL 53 HB VAL 53 1.893 4.844 0.855 571 1HG1 VAL 53 2HG1 VAL 53 2.564 5.279 -1.510 572 2HG1 VAL 53 3HG1 VAL 53 3.223 6.836 -1.032 573 3HG1 VAL 53 1HG1 VAL 53 3.935 5.311 -0.414 574 1HG2 VAL 53 2HG2 VAL 53 2.141 6.697 2.497 575 2HG2 VAL 53 3HG2 VAL 53 3.711 6.158 1.846 576 3HG2 VAL 53 1HG2 VAL 53 2.979 7.650 1.245 577 QG1 VAL 53 QG1 VAL 53 3.241 5.809 -0.985 578 QG2 VAL 53 QG2 VAL 53 2.944 6.835 1.863 579 QQG VAL 53 QQG VAL 53 3.092 6.322 0.439 580 H LEU 54 H LEU 54 -0.179 4.120 -0.355 581 HA LEU 54 HA LEU 54 0.386 4.228 -3.149 582 1HB LEU 54 1HB LEU 54 -0.824 2.241 -1.303 583 2HB LEU 54 2HB LEU 54 -1.160 2.129 -3.013 584 HG LEU 54 HG LEU 54 1.076 1.847 -3.660 585 1HD1 LEU 54 2HD1 LEU 54 1.935 2.630 -0.874 586 2HD1 LEU 54 3HD1 LEU 54 2.998 1.833 -2.073 587 3HD1 LEU 54 1HD1 LEU 54 2.324 3.410 -2.428 588 1HD2 LEU 54 1HD2 LEU 54 0.045 -0.143 -2.643 589 2HD2 LEU 54 2HD2 LEU 54 1.801 -0.142 -2.468 590 3HD2 LEU 54 3HD2 LEU 54 0.783 0.282 -1.077 591 QB LEU 54 QB LEU 54 -0.992 2.185 -2.158 592 QD1 LEU 54 QD1 LEU 54 2.419 2.624 -1.792 593 QD2 LEU 54 QD2 LEU 54 0.876 -0.001 -2.063 594 QQD LEU 54 QQD LEU 54 1.648 1.312 -1.927 595 H SER 55 H SER 55 -2.607 4.929 -1.347 596 HA SER 55 HA SER 55 -4.151 5.165 -3.788 597 1HB SER 55 1HB SER 55 -5.861 6.168 -2.356 598 2HB SER 55 2HB SER 55 -5.274 4.620 -1.745 599 HG SER 55 HG SER 55 -4.104 5.677 -0.182 600 QB SER 55 QB SER 55 -5.568 5.394 -2.051 601 H ASP 56 H ASP 56 -2.307 7.538 -1.741 602 HA ASP 56 HA ASP 56 -3.354 9.749 -3.345 603 1HB ASP 56 1HB ASP 56 -3.263 10.192 -1.012 604 2HB ASP 56 2HB ASP 56 -1.564 9.683 -0.909 605 QB ASP 56 QB ASP 56 -2.413 9.938 -0.961 606 HA PRO 57 HA PRO 57 0.371 9.213 -5.849 607 1HB PRO 57 1HB PRO 57 -0.249 10.852 -7.949 608 2HB PRO 57 2HB PRO 57 -0.931 9.211 -7.723 609 1HG PRO 57 1HG PRO 57 -2.183 11.864 -6.954 610 2HG PRO 57 2HG PRO 57 -2.930 10.515 -7.866 611 1HD PRO 57 1HD PRO 57 -3.316 10.804 -5.198 612 2HD PRO 57 2HD PRO 57 -3.119 9.188 -5.943 613 QB PRO 57 QB PRO 57 -0.590 10.031 -7.836 614 QG PRO 57 QG PRO 57 -2.557 11.190 -7.410 615 QD PRO 57 QD PRO 57 -3.217 9.996 -5.571 616 H ARG 58 H ARG 58 -0.662 12.093 -4.151 617 HA ARG 58 HA ARG 58 1.575 13.744 -5.246 618 1HB ARG 58 1HB ARG 58 -0.677 14.243 -3.233 619 2HB ARG 58 2HB ARG 58 0.693 15.336 -3.370 620 1HG ARG 58 1HG ARG 58 -1.236 16.123 -4.672 621 2HG ARG 58 2HG ARG 58 0.206 15.863 -5.656 622 1HD ARG 58 1HD ARG 58 -0.694 13.803 -6.571 623 2HD ARG 58 2HD ARG 58 -2.048 13.835 -5.444 624 HE ARG 58 HE ARG 58 -3.156 15.292 -6.792 625 1HH1 ARG 58 2HH2 ARG 58 0.251 15.410 -7.819 626 2HH1 ARG 58 1HH2 ARG 58 -0.095 16.014 -9.391 627 1HH2 ARG 58 2HH1 ARG 58 -3.626 16.162 -8.784 628 2HH2 ARG 58 1HH1 ARG 58 -2.430 16.415 -10.009 629 QB ARG 58 QB ARG 58 0.008 14.789 -3.301 630 QG ARG 58 QG ARG 58 -0.515 15.993 -5.164 631 QD ARG 58 QD ARG 58 -1.371 13.819 -6.008 632 QH1 ARG 58 QH2 ARG 58 0.078 15.712 -8.605 633 QH2 ARG 58 QH1 ARG 58 -3.028 16.288 -9.396 634 H LYS 59 H LYS 59 0.692 12.085 -2.138 635 HA LYS 59 HA LYS 59 3.298 12.638 -0.994 636 1HB LYS 59 1HB LYS 59 1.314 12.043 0.322 637 2HB LYS 59 2HB LYS 59 1.215 10.457 -0.461 638 1HG LYS 59 1HG LYS 59 3.408 9.827 0.501 639 2HG LYS 59 2HG LYS 59 3.549 11.415 1.264 640 1HD LYS 59 1HD LYS 59 1.308 9.411 1.819 641 2HD LYS 59 2HD LYS 59 2.769 9.611 2.812 642 1HE LYS 59 1HE LYS 59 2.167 12.002 3.179 643 2HE LYS 59 2HE LYS 59 0.661 11.759 2.279 644 1HZ LYS 59 2HZ LYS 59 1.390 10.224 4.692 645 2HZ LYS 59 3HZ LYS 59 0.529 11.600 4.720 646 3HZ LYS 59 1HZ LYS 59 -0.093 10.264 3.951 647 QB LYS 59 QB LYS 59 1.264 11.250 -0.069 648 QG LYS 59 QG LYS 59 3.479 10.621 0.883 649 QD LYS 59 QD LYS 59 2.038 9.511 2.315 650 QE LYS 59 QE LYS 59 1.414 11.880 2.729 651 QZ LYS 59 QZ LYS 59 0.609 10.696 4.455 652 H ARG 60 H ARG 60 1.850 9.725 -2.783 653 HA ARG 60 HA ARG 60 4.193 8.345 -2.913 654 1HB ARG 60 1HB ARG 60 1.672 7.914 -3.754 655 2HB ARG 60 2HB ARG 60 2.369 8.370 -5.325 656 1HG ARG 60 1HG ARG 60 4.081 6.634 -5.076 657 2HG ARG 60 2HG ARG 60 3.545 6.388 -3.388 658 1HD ARG 60 1HD ARG 60 1.470 5.529 -4.037 659 2HD ARG 60 2HD ARG 60 1.694 5.971 -5.728 660 HE ARG 60 HE ARG 60 3.512 4.025 -4.394 661 1HH1 ARG 60 2HH2 ARG 60 1.335 4.709 -7.184 662 2HH1 ARG 60 1HH2 ARG 60 1.960 3.361 -8.072 663 1HH2 ARG 60 2HH1 ARG 60 4.348 2.337 -5.771 664 2HH2 ARG 60 1HH1 ARG 60 3.601 2.108 -7.316 665 QB ARG 60 QB ARG 60 2.020 8.142 -4.539 666 QG ARG 60 QG ARG 60 3.813 6.511 -4.232 667 QD ARG 60 QD ARG 60 1.582 5.750 -4.882 668 QH1 ARG 60 QH2 ARG 60 1.647 4.035 -7.628 669 QH2 ARG 60 QH1 ARG 60 3.974 2.223 -6.543 670 H GLU 61 H GLU 61 3.459 11.295 -4.754 671 HA GLU 61 HA GLU 61 5.194 10.996 -6.873 672 1HB GLU 61 1HB GLU 61 3.631 12.979 -6.117 673 2HB GLU 61 2HB GLU 61 5.027 13.562 -5.224 674 1HG GLU 61 1HG GLU 61 5.887 14.466 -7.085 675 2HG GLU 61 2HG GLU 61 5.822 12.905 -7.906 676 QB GLU 61 QB GLU 61 4.329 13.271 -5.671 677 QG GLU 61 QG GLU 61 5.854 13.685 -7.496 678 H ILE 62 H ILE 62 5.967 11.767 -3.504 679 HA ILE 62 HA ILE 62 8.773 12.287 -3.916 680 HB ILE 62 HB ILE 62 7.272 11.507 -1.374 681 1HG1 ILE 62 1HG1 ILE 62 7.711 14.314 -2.488 682 2HG1 ILE 62 2HG1 ILE 62 6.167 13.459 -2.514 683 1HG2 ILE 62 2HG2 ILE 62 9.774 11.479 -1.208 684 2HG2 ILE 62 3HG2 ILE 62 9.800 13.186 -1.699 685 3HG2 ILE 62 1HG2 ILE 62 9.041 12.689 -0.175 686 1HD1 ILE 62 1HD1 ILE 62 6.213 13.307 -0.035 687 2HD1 ILE 62 2HD1 ILE 62 7.621 14.407 -0.045 688 3HD1 ILE 62 3HD1 ILE 62 6.069 14.949 -0.697 689 QG1 ILE 62 QG1 ILE 62 6.939 13.887 -2.501 690 QG2 ILE 62 QG2 ILE 62 9.538 12.451 -1.027 691 QD1 ILE 62 QD1 ILE 62 6.634 14.221 -0.259 692 H PHE 63 H PHE 63 6.783 9.420 -3.256 693 HA PHE 63 HA PHE 63 9.048 7.733 -2.472 694 1HB PHE 63 1HB PHE 63 6.593 7.523 -1.689 695 2HB PHE 63 2HB PHE 63 6.234 6.883 -3.288 696 HD1 PHE 63 2HD PHE 63 7.311 4.695 -4.031 697 HD2 PHE 63 1HD PHE 63 7.704 6.214 0.004 698 HE1 PHE 63 2HE PHE 63 8.057 2.470 -3.250 699 HE2 PHE 63 1HE PHE 63 8.451 4.016 0.762 700 1HZ PHE 63 HZ PHE 63 8.622 2.109 -0.850 701 QB PHE 63 QB PHE 63 6.413 7.203 -2.489 702 QG PHE 63 QD PHE 63 7.508 5.454 -2.013 703 QZ PHE 63 QE PHE 63 8.254 3.243 -1.244 704 QZ PHE 63 QR PHE 63 8.029 3.901 -1.473 705 H ASP 64 H ASP 64 7.096 8.330 -5.378 706 HA ASP 64 HA ASP 64 8.149 6.182 -6.925 707 1HB ASP 64 1HB ASP 64 5.988 7.637 -7.169 708 2HB ASP 64 2HB ASP 64 7.003 8.770 -8.028 709 QB ASP 64 QB ASP 64 6.495 8.203 -7.599 710 H ARG 65 H ARG 65 9.023 9.610 -6.535 711 HA ARG 65 HA ARG 65 11.123 9.545 -8.525 712 1HB ARG 65 1HB ARG 65 10.145 11.587 -8.203 713 2HB ARG 65 2HB ARG 65 10.113 11.443 -6.466 714 1HG ARG 65 1HG ARG 65 12.370 12.090 -6.190 715 2HG ARG 65 2HG ARG 65 12.702 11.934 -7.929 716 1HD ARG 65 1HD ARG 65 11.066 13.695 -8.442 717 2HD ARG 65 2HD ARG 65 10.651 13.856 -6.731 718 HE ARG 65 HE ARG 65 13.312 14.379 -6.700 719 1HH1 ARG 65 2HH2 ARG 65 10.716 15.701 -8.748 720 2HH1 ARG 65 1HH2 ARG 65 11.195 17.347 -8.533 721 1HH2 ARG 65 2HH1 ARG 65 14.144 16.519 -6.729 722 2HH2 ARG 65 1HH1 ARG 65 13.110 17.822 -7.209 723 QB ARG 65 QB ARG 65 10.129 11.515 -7.335 724 QG ARG 65 QG ARG 65 12.536 12.012 -7.059 725 QD ARG 65 QD ARG 65 10.859 13.775 -7.587 726 QH1 ARG 65 QH2 ARG 65 10.955 16.524 -8.640 727 QH2 ARG 65 QH1 ARG 65 13.627 17.170 -6.969 728 H TYR 66 H TYR 66 11.240 9.793 -4.945 729 HA TYR 66 HA TYR 66 14.093 9.106 -5.017 730 1HB TYR 66 1HB TYR 66 12.364 9.744 -2.609 731 2HB TYR 66 2HB TYR 66 14.114 9.587 -2.640 732 HD1 TYR 66 1HD TYR 66 15.481 11.225 -4.115 733 HD2 TYR 66 2HD TYR 66 11.340 11.859 -3.077 734 HE1 TYR 66 1HE TYR 66 15.686 13.624 -4.704 735 HE2 TYR 66 2HE TYR 66 11.541 14.230 -3.617 736 HH TYR 66 HH TYR 66 12.878 15.873 -4.460 737 QB TYR 66 QB TYR 66 13.239 9.666 -2.625 738 QG TYR 66 QD TYR 66 13.411 11.542 -3.596 739 QZ TYR 66 QE TYR 66 13.614 13.927 -4.160 740 QR TYR 66 QR TYR 66 13.512 12.734 -3.878 741 H GLY 67 H GLY 67 11.631 7.776 -2.715 742 1HA GLY 67 1HA GLY 67 11.008 5.378 -2.981 743 2HA GLY 67 2HA GLY 67 12.706 5.038 -3.286 744 QA GLY 67 QA GLY 67 11.857 5.208 -3.134 745 H GLU 68 H GLU 68 10.395 6.082 -0.927 746 HA GLU 68 HA GLU 68 10.204 6.361 1.219 747 1HB GLU 68 1HB GLU 68 10.694 3.933 1.390 748 2HB GLU 68 2HB GLU 68 12.401 4.302 1.559 749 1HG GLU 68 1HG GLU 68 11.516 3.811 3.727 750 2HG GLU 68 2HG GLU 68 11.942 5.508 3.698 751 QB GLU 68 QB GLU 68 11.547 4.118 1.475 752 QG GLU 68 QG GLU 68 11.729 4.660 3.712 753 H GLU 69 H GLU 69 13.690 6.422 0.352 754 HA GLU 69 HA GLU 69 14.560 7.913 2.506 755 1HB GLU 69 1HB GLU 69 15.717 6.508 0.604 756 2HB GLU 69 2HB GLU 69 15.770 8.047 -0.273 757 1HG GLU 69 1HG GLU 69 16.912 9.036 1.738 758 2HG GLU 69 2HG GLU 69 16.937 7.430 2.482 759 QB GLU 69 QB GLU 69 15.744 7.278 0.166 760 QG GLU 69 QG GLU 69 16.924 8.233 2.110 761 H GLY 70 H GLY 70 12.755 9.014 -0.258 762 1HA GLY 70 1HA GLY 70 13.527 11.837 -0.081 763 2HA GLY 70 2HA GLY 70 12.237 11.151 -1.028 764 QA GLY 70 QA GLY 70 12.882 11.494 -0.555 765 H LEU 71 H LEU 71 11.222 9.625 1.365 766 HA LEU 71 HA LEU 71 9.340 11.695 2.306 767 1HB LEU 71 1HB LEU 71 8.439 9.476 1.618 768 2HB LEU 71 2HB LEU 71 9.451 8.688 2.824 769 HG LEU 71 HG LEU 71 8.256 9.970 4.631 770 1HD1 LEU 71 2HD1 LEU 71 6.378 10.745 2.343 771 2HD1 LEU 71 3HD1 LEU 71 6.064 10.982 4.076 772 3HD1 LEU 71 1HD1 LEU 71 7.377 11.862 3.299 773 1HD2 LEU 71 3HD2 LEU 71 7.660 7.653 4.066 774 2HD2 LEU 71 1HD2 LEU 71 6.230 8.572 4.545 775 3HD2 LEU 71 2HD2 LEU 71 6.529 8.219 2.824 776 QB LEU 71 QB LEU 71 8.945 9.082 2.221 777 QD1 LEU 71 QD1 LEU 71 6.606 11.197 3.239 778 QD2 LEU 71 QD2 LEU 71 6.807 8.148 3.812 779 QQD LEU 71 QQD LEU 71 6.706 9.672 3.526 780 H LYS 72 H LYS 72 11.629 9.216 3.621 781 HA LYS 72 HA LYS 72 12.566 11.168 5.558 782 1HB LYS 72 1HB LYS 72 10.671 9.964 6.659 783 2HB LYS 72 2HB LYS 72 11.475 8.435 6.362 784 1HG LYS 72 1HG LYS 72 11.779 9.263 8.696 785 2HG LYS 72 2HG LYS 72 13.293 8.978 7.847 786 1HD LYS 72 1HD LYS 72 13.406 11.002 9.185 787 2HD LYS 72 2HD LYS 72 13.608 11.382 7.486 788 1HE LYS 72 1HE LYS 72 11.216 12.100 7.360 789 2HE LYS 72 2HE LYS 72 11.006 11.662 9.067 790 1HZ LYS 72 2HZ LYS 72 12.850 13.295 9.501 791 2HZ LYS 72 3HZ LYS 72 12.682 13.789 7.944 792 3HZ LYS 72 1HZ LYS 72 11.425 13.967 8.992 793 QB LYS 72 QB LYS 72 11.073 9.199 6.511 794 QG LYS 72 QG LYS 72 12.536 9.121 8.272 795 QD LYS 72 QD LYS 72 13.507 11.192 8.336 796 QE LYS 72 QE LYS 72 11.111 11.881 8.213 797 QZ LYS 72 QZ LYS 72 12.319 13.684 8.812 798 H GLY 73 H GLY 73 14.710 11.170 4.876 799 1HA GLY 73 1HA GLY 73 16.051 8.795 3.947 800 2HA GLY 73 2HA GLY 73 16.791 10.326 4.436 801 QA GLY 73 QA GLY 73 16.421 9.561 4.191 802 H SER 74 H SER 74 18.071 7.989 5.148 803 HA SER 74 HA SER 74 18.400 8.473 7.912 804 1HB SER 74 1HB SER 74 17.502 5.683 7.050 805 2HB SER 74 2HB SER 74 18.307 6.035 8.586 806 HG SER 74 HG SER 74 15.963 7.388 7.760 807 QB SER 74 QB SER 74 17.904 5.859 7.818 808 H GLY 75 H GLY 75 20.568 7.774 8.490 809 1HA GLY 75 1HA GLY 75 22.788 7.495 8.013 810 2HA GLY 75 2HA GLY 75 22.266 6.222 6.898 811 QA GLY 75 QA GLY 75 22.527 6.859 7.456 812 H CYS 76 H CYS 76 21.477 9.741 6.579 813 HA CYS 76 HA CYS 76 23.054 9.904 4.104 814 1HB CYS 76 1HB CYS 76 21.024 10.835 2.991 815 2HB CYS 76 2HB CYS 76 20.826 9.119 3.406 816 HG CYS 76 HG CYS 76 20.007 11.616 5.388 817 QB CYS 76 QB CYS 76 20.925 9.977 3.198 No H/Q in entry = 817 Start of MODEL 8 1 H MET 0 H MET 0 10.051 2.891 8.623 2 HA MET 0 HA MET 0 9.632 2.780 6.279 3 1HB MET 0 1HB MET 0 11.199 3.553 4.613 4 2HB MET 0 2HB MET 0 10.535 4.857 5.573 5 1HG MET 0 1HG MET 0 13.276 3.696 6.169 6 2HG MET 0 2HG MET 0 13.027 4.962 4.972 7 1HE MET 0 3HE MET 0 14.598 4.519 7.954 8 2HE MET 0 1HE MET 0 15.096 5.879 6.919 9 3HE MET 0 2HE MET 0 14.611 6.167 8.601 10 QB MET 0 QB MET 0 10.867 4.205 5.093 11 QG MET 0 QG MET 0 13.152 4.329 5.570 12 QE MET 0 QE MET 0 14.768 5.522 7.825 13 H GLY 1 H GLY 1 12.691 1.940 5.141 14 1HA GLY 1 1HA GLY 1 13.854 -0.005 5.176 15 2HA GLY 1 2HA GLY 1 13.348 -0.260 6.853 16 QA GLY 1 QA GLY 1 13.601 -0.132 6.014 17 H LYS 2 H LYS 2 10.749 0.196 4.632 18 HA LYS 2 HA LYS 2 10.122 -2.648 4.381 19 1HB LYS 2 1HB LYS 2 9.162 -1.781 6.560 20 2HB LYS 2 2HB LYS 2 8.369 -0.491 5.649 21 1HG LYS 2 1HG LYS 2 6.743 -2.159 6.120 22 2HG LYS 2 2HG LYS 2 7.069 -2.218 4.389 23 1HD LYS 2 1HD LYS 2 8.604 -4.238 4.869 24 2HD LYS 2 2HD LYS 2 8.042 -4.144 6.561 25 1HE LYS 2 1HE LYS 2 5.654 -4.033 5.348 26 2HE LYS 2 2HE LYS 2 6.522 -4.807 4.029 27 1HZ LYS 2 2HZ LYS 2 7.072 -6.199 6.412 28 2HZ LYS 2 3HZ LYS 2 5.449 -5.947 6.291 29 3HZ LYS 2 1HZ LYS 2 6.260 -6.714 5.071 30 QB LYS 2 QB LYS 2 8.765 -1.136 6.104 31 QG LYS 2 QG LYS 2 6.906 -2.188 5.255 32 QD LYS 2 QD LYS 2 8.323 -4.191 5.715 33 QE LYS 2 QE LYS 2 6.088 -4.420 4.689 34 QZ LYS 2 QZ LYS 2 6.260 -6.286 5.925 35 H ASP 3 H ASP 3 8.587 -2.877 2.604 36 HA ASP 3 HA ASP 3 9.416 -0.922 0.538 37 1HB ASP 3 1HB ASP 3 10.262 -3.209 0.521 38 2HB ASP 3 2HB ASP 3 8.645 -3.875 0.569 39 QB ASP 3 QB ASP 3 9.454 -3.542 0.545 40 H TYR 4 H TYR 4 7.763 0.509 0.064 41 HA TYR 4 HA TYR 4 5.151 -0.096 1.222 42 1HB TYR 4 1HB TYR 4 6.009 2.252 -0.487 43 2HB TYR 4 2HB TYR 4 4.450 2.083 0.261 44 HD1 TYR 4 2HD TYR 4 8.072 1.821 1.495 45 HD2 TYR 4 1HD TYR 4 4.097 3.394 2.122 46 HE1 TYR 4 2HE TYR 4 8.781 2.754 3.623 47 HE2 TYR 4 1HE TYR 4 4.804 4.343 4.272 48 HH TYR 4 HH TYR 4 6.666 4.863 5.614 49 QB TYR 4 QB TYR 4 5.230 2.168 -0.113 50 QG TYR 4 QD TYR 4 6.085 2.607 1.809 51 QZ TYR 4 QE TYR 4 6.793 3.549 3.948 52 QR TYR 4 QR TYR 4 6.439 3.078 2.878 53 H TYR 5 H TYR 5 6.493 -0.351 -2.029 54 HA TYR 5 HA TYR 5 4.003 -0.697 -3.473 55 1HB TYR 5 1HB TYR 5 6.929 -1.418 -3.879 56 2HB TYR 5 2HB TYR 5 5.706 -2.230 -4.832 57 HD1 TYR 5 1HD TYR 5 4.509 1.147 -4.376 58 HD2 TYR 5 2HD TYR 5 7.452 -1.199 -6.501 59 HE1 TYR 5 1HE TYR 5 4.484 2.770 -6.204 60 HE2 TYR 5 2HE TYR 5 7.440 0.451 -8.335 61 HH TYR 5 HH TYR 5 6.678 2.618 -8.988 62 QB TYR 5 QB TYR 5 6.317 -1.824 -4.356 63 QG TYR 5 QD TYR 5 5.980 -0.026 -5.438 64 QZ TYR 5 QE TYR 5 5.962 1.611 -7.270 65 QR TYR 5 QR TYR 5 5.971 0.792 -6.354 66 H GLN 6 H GLN 6 6.361 -3.137 -2.166 67 HA GLN 6 HA GLN 6 4.425 -5.128 -2.910 68 1HB GLN 6 1HB GLN 6 6.962 -5.164 -3.075 69 2HB GLN 6 2HB GLN 6 7.015 -5.523 -1.356 70 1HG GLN 6 1HG GLN 6 6.062 -7.655 -1.643 71 2HG GLN 6 2HG GLN 6 5.234 -7.228 -3.125 72 1HE2 GLN 6 2HE2 GLN 6 8.134 -7.691 -5.250 73 2HE2 GLN 6 1HE2 GLN 6 6.588 -6.831 -5.061 74 QB GLN 6 QB GLN 6 6.989 -5.344 -2.215 75 QG GLN 6 QG GLN 6 5.648 -7.442 -2.384 76 QE2 GLN 6 QE2 GLN 6 7.361 -7.261 -5.155 77 H THR 7 H THR 7 5.198 -3.596 0.126 78 HA THR 7 HA THR 7 3.830 -5.416 1.888 79 HB THR 7 HB THR 7 3.868 -2.368 2.054 80 HG1 THR 7 1HG THR 7 5.918 -3.026 1.873 81 1HG2 THR 7 1HG2 THR 7 3.647 -4.484 4.243 82 2HG2 THR 7 2HG2 THR 7 3.840 -2.740 4.510 83 3HG2 THR 7 3HG2 THR 7 2.370 -3.353 3.747 84 QG2 THR 7 QG2 THR 7 3.286 -3.526 4.167 85 H LEU 8 H LEU 8 2.722 -3.194 -0.530 86 HA LEU 8 HA LEU 8 -0.125 -3.557 0.160 87 1HB LEU 8 1HB LEU 8 1.139 -1.305 -0.117 88 2HB LEU 8 2HB LEU 8 1.150 -1.678 -1.822 89 HG LEU 8 HG LEU 8 -0.511 -0.027 -0.912 90 1HD1 LEU 8 3HD1 LEU 8 -0.731 -1.289 -3.147 91 2HD1 LEU 8 1HD1 LEU 8 -2.067 -2.140 -2.363 92 3HD1 LEU 8 2HD1 LEU 8 -2.088 -0.368 -2.526 93 1HD2 LEU 8 3HD2 LEU 8 -1.207 -1.229 1.105 94 2HD2 LEU 8 1HD2 LEU 8 -2.579 -0.756 0.080 95 3HD2 LEU 8 2HD2 LEU 8 -2.043 -2.442 0.096 96 QB LEU 8 QB LEU 8 1.144 -1.492 -0.970 97 QD1 LEU 8 QD1 LEU 8 -1.629 -1.266 -2.679 98 QD2 LEU 8 QD2 LEU 8 -1.943 -1.476 0.427 99 QQD LEU 8 QQD LEU 8 -1.786 -1.371 -1.126 100 H GLY 9 H GLY 9 2.049 -5.349 -1.368 101 1HA GLY 9 1HA GLY 9 1.497 -7.221 -2.550 102 2HA GLY 9 2HA GLY 9 0.033 -6.457 -3.164 103 QA GLY 9 QA GLY 9 0.765 -6.839 -2.857 104 H LEU 10 H LEU 10 2.558 -4.261 -3.783 105 HA LEU 10 HA LEU 10 2.548 -5.145 -6.578 106 1HB LEU 10 1HB LEU 10 3.107 -2.445 -5.342 107 2HB LEU 10 2HB LEU 10 3.404 -2.786 -7.019 108 HG LEU 10 HG LEU 10 1.345 -1.924 -7.263 109 1HD1 LEU 10 3HD1 LEU 10 1.182 -4.240 -8.125 110 2HD1 LEU 10 1HD1 LEU 10 0.495 -4.761 -6.565 111 3HD1 LEU 10 2HD1 LEU 10 -0.385 -3.611 -7.537 112 1HD2 LEU 10 1HD2 LEU 10 1.000 -1.579 -4.879 113 2HD2 LEU 10 2HD2 LEU 10 -0.464 -2.088 -5.757 114 3HD2 LEU 10 3HD2 LEU 10 0.404 -3.261 -4.742 115 QB LEU 10 QB LEU 10 3.256 -2.615 -6.181 116 QD1 LEU 10 QD1 LEU 10 0.430 -4.204 -7.409 117 QD2 LEU 10 QD2 LEU 10 0.313 -2.309 -5.126 118 QQD LEU 10 QQD LEU 10 0.372 -3.257 -6.267 119 H ALA 11 H ALA 11 4.632 -3.959 -7.735 120 HA ALA 11 HA ALA 11 7.154 -4.435 -6.426 121 1HB ALA 11 3HB ALA 11 6.638 -6.666 -7.616 122 2HB ALA 11 1HB ALA 11 6.528 -5.719 -9.127 123 3HB ALA 11 2HB ALA 11 8.058 -5.795 -8.257 124 QB ALA 11 QB ALA 11 7.075 -6.060 -8.333 125 H ARG 12 H ARG 12 8.848 -3.495 -7.910 126 HA ARG 12 HA ARG 12 8.153 -1.322 -9.571 127 1HB ARG 12 1HB ARG 12 10.305 -1.333 -10.387 128 2HB ARG 12 2HB ARG 12 10.487 -1.976 -8.771 129 1HG ARG 12 1HG ARG 12 10.632 -3.449 -11.404 130 2HG ARG 12 2HG ARG 12 11.941 -3.119 -10.276 131 1HD ARG 12 1HD ARG 12 9.996 -4.644 -8.828 132 2HD ARG 12 2HD ARG 12 10.124 -5.394 -10.401 133 HE ARG 12 HE ARG 12 12.425 -4.794 -8.596 134 1HH1 ARG 12 2HH2 ARG 12 10.806 -7.176 -10.731 135 2HH1 ARG 12 1HH2 ARG 12 11.571 -8.542 -10.011 136 1HH2 ARG 12 2HH1 ARG 12 13.560 -6.652 -7.750 137 2HH2 ARG 12 1HH1 ARG 12 13.332 -8.199 -8.488 138 QB ARG 12 QB ARG 12 10.396 -1.655 -9.579 139 QG ARG 12 QG ARG 12 11.286 -3.284 -10.840 140 QD ARG 12 QD ARG 12 10.060 -5.019 -9.614 141 QH1 ARG 12 QH2 ARG 12 11.188 -7.859 -10.371 142 QH2 ARG 12 QH1 ARG 12 13.446 -7.425 -8.119 143 H GLY 13 H GLY 13 7.193 -1.241 -11.363 144 1HA GLY 13 1HA GLY 13 6.834 -1.849 -13.735 145 2HA GLY 13 2HA GLY 13 6.897 -3.552 -13.265 146 QA GLY 13 QA GLY 13 6.865 -2.700 -13.500 147 H ALA 14 H ALA 14 5.266 -2.258 -10.717 148 HA ALA 14 HA ALA 14 2.572 -2.707 -11.776 149 1HB ALA 14 1HB ALA 14 3.629 -1.536 -9.168 150 2HB ALA 14 2HB ALA 14 1.918 -1.812 -9.523 151 3HB ALA 14 3HB ALA 14 3.021 -3.191 -9.409 152 QB ALA 14 QB ALA 14 2.856 -2.180 -9.367 153 H SER 15 H SER 15 0.980 -0.873 -11.439 154 HA SER 15 HA SER 15 1.906 1.860 -11.798 155 1HB SER 15 1HB SER 15 0.280 2.018 -13.805 156 2HB SER 15 2HB SER 15 1.850 1.264 -14.107 157 HG SER 15 HG SER 15 0.974 -0.636 -14.295 158 QB SER 15 QB SER 15 1.065 1.641 -13.956 159 H ASP 16 H ASP 16 -0.316 3.225 -11.923 160 HA ASP 16 HA ASP 16 -1.379 2.740 -9.381 161 1HB ASP 16 1HB ASP 16 -2.839 4.614 -9.713 162 2HB ASP 16 2HB ASP 16 -1.257 4.969 -10.412 163 QB ASP 16 QB ASP 16 -2.048 4.791 -10.063 164 H GLU 17 H GLU 17 -2.439 1.391 -12.426 165 HA GLU 17 HA GLU 17 -5.079 0.585 -11.343 166 1HB GLU 17 1HB GLU 17 -3.992 1.125 -13.984 167 2HB GLU 17 2HB GLU 17 -4.446 -0.561 -13.910 168 1HG GLU 17 1HG GLU 17 -6.700 0.222 -12.930 169 2HG GLU 17 2HG GLU 17 -6.188 1.870 -13.286 170 QB GLU 17 QB GLU 17 -4.219 0.282 -13.947 171 QG GLU 17 QG GLU 17 -6.444 1.046 -13.108 172 H GLU 18 H GLU 18 -1.926 -0.508 -11.017 173 HA GLU 18 HA GLU 18 -2.868 -3.273 -10.487 174 1HB GLU 18 1HB GLU 18 -0.298 -2.018 -10.979 175 2HB GLU 18 2HB GLU 18 -0.298 -2.520 -9.364 176 1HG GLU 18 1HG GLU 18 -0.862 -4.308 -11.760 177 2HG GLU 18 2HG GLU 18 0.640 -4.248 -10.850 178 QB GLU 18 QB GLU 18 -0.298 -2.269 -10.171 179 QG GLU 18 QG GLU 18 -0.111 -4.278 -11.305 180 H ILE 19 H ILE 19 -2.016 -0.075 -9.057 181 HA ILE 19 HA ILE 19 -2.075 -0.842 -6.331 182 HB ILE 19 HB ILE 19 -2.389 1.883 -7.583 183 1HG1 ILE 19 1HG1 ILE 19 -0.095 0.387 -6.224 184 2HG1 ILE 19 2HG1 ILE 19 -0.216 0.735 -7.933 185 1HG2 ILE 19 3HG2 ILE 19 -2.123 1.092 -4.656 186 2HG2 ILE 19 1HG2 ILE 19 -2.021 2.753 -5.309 187 3HG2 ILE 19 2HG2 ILE 19 -3.527 1.888 -5.403 188 1HD1 ILE 19 3HD1 ILE 19 -0.206 3.177 -7.406 189 2HD1 ILE 19 1HD1 ILE 19 0.161 2.752 -5.712 190 3HD1 ILE 19 2HD1 ILE 19 1.291 2.305 -6.996 191 QG1 ILE 19 QG1 ILE 19 -0.156 0.561 -7.079 192 QG2 ILE 19 QG2 ILE 19 -2.557 1.911 -5.123 193 QD1 ILE 19 QD1 ILE 19 0.416 2.745 -6.705 194 H LYS 20 H LYS 20 -4.586 1.077 -8.099 195 HA LYS 20 HA LYS 20 -6.582 0.901 -6.172 196 1HB LYS 20 1HB LYS 20 -6.737 1.012 -9.206 197 2HB LYS 20 2HB LYS 20 -8.178 1.033 -8.210 198 1HG LYS 20 1HG LYS 20 -5.956 3.107 -8.035 199 2HG LYS 20 2HG LYS 20 -7.472 3.263 -8.919 200 1HD LYS 20 1HD LYS 20 -8.574 2.692 -6.558 201 2HD LYS 20 2HD LYS 20 -7.016 3.294 -5.939 202 1HE LYS 20 1HE LYS 20 -7.351 5.383 -7.304 203 2HE LYS 20 2HE LYS 20 -8.906 4.734 -7.859 204 1HZ LYS 20 1HZ LYS 20 -9.561 4.711 -5.440 205 2HZ LYS 20 2HZ LYS 20 -8.177 5.624 -5.159 206 3HZ LYS 20 3HZ LYS 20 -9.355 6.181 -6.142 207 QB LYS 20 QB LYS 20 -7.458 1.023 -8.708 208 QG LYS 20 QG LYS 20 -6.714 3.185 -8.477 209 QD LYS 20 QD LYS 20 -7.795 2.993 -6.249 210 QE LYS 20 QE LYS 20 -8.129 5.059 -7.582 211 QZ LYS 20 QZ LYS 20 -9.031 5.505 -5.580 212 H ARG 21 H ARG 21 -5.509 -1.684 -8.230 213 HA ARG 21 HA ARG 21 -7.798 -3.427 -7.633 214 1HB ARG 21 1HB ARG 21 -5.665 -3.325 -9.579 215 2HB ARG 21 2HB ARG 21 -5.450 -4.780 -8.663 216 1HG ARG 21 1HG ARG 21 -6.888 -5.513 -10.350 217 2HG ARG 21 2HG ARG 21 -8.029 -5.188 -9.052 218 1HD ARG 21 1HD ARG 21 -8.903 -4.285 -11.127 219 2HD ARG 21 2HD ARG 21 -8.454 -2.910 -10.100 220 HE ARG 21 HE ARG 21 -6.174 -3.308 -11.490 221 1HH1 ARG 21 2HH2 ARG 21 -9.495 -2.545 -12.642 222 2HH1 ARG 21 1HH2 ARG 21 -8.827 -1.832 -14.098 223 1HH2 ARG 21 2HH1 ARG 21 -5.503 -2.523 -13.379 224 2HH2 ARG 21 1HH1 ARG 21 -6.631 -1.849 -14.538 225 QB ARG 21 QB ARG 21 -5.558 -4.053 -9.121 226 QG ARG 21 QG ARG 21 -7.458 -5.350 -9.701 227 QD ARG 21 QD ARG 21 -8.679 -3.598 -10.613 228 QH1 ARG 21 QH2 ARG 21 -9.161 -2.188 -13.370 229 QH2 ARG 21 QH1 ARG 21 -6.067 -2.186 -13.959 230 H ALA 22 H ALA 22 -4.304 -3.417 -6.862 231 HA ALA 22 HA ALA 22 -4.256 -5.579 -5.070 232 1HB ALA 22 1HB ALA 22 -2.239 -4.558 -6.196 233 2HB ALA 22 2HB ALA 22 -2.396 -3.172 -5.106 234 3HB ALA 22 3HB ALA 22 -2.060 -4.789 -4.458 235 QB ALA 22 QB ALA 22 -2.232 -4.173 -5.253 236 H TYR 23 H TYR 23 -4.434 -2.038 -4.279 237 HA TYR 23 HA TYR 23 -4.364 -2.225 -1.539 238 1HB TYR 23 1HB TYR 23 -4.183 -0.129 -1.996 239 2HB TYR 23 2HB TYR 23 -4.660 -0.292 -3.636 240 HD1 TYR 23 1HD TYR 23 -7.131 -0.289 -4.152 241 HD2 TYR 23 2HD TYR 23 -5.360 1.355 -0.571 242 HE1 TYR 23 1HE TYR 23 -9.042 1.253 -3.959 243 HE2 TYR 23 2HE TYR 23 -7.248 2.946 -0.393 244 HH TYR 23 HH TYR 23 -9.466 3.328 -1.108 245 QB TYR 23 QB TYR 23 -4.421 -0.211 -2.816 246 QG TYR 23 QD TYR 23 -6.246 0.533 -2.362 247 QZ TYR 23 QE TYR 23 -8.145 2.099 -2.176 248 QR TYR 23 QR TYR 23 -7.195 1.316 -2.269 249 H ARG 24 H ARG 24 -7.489 -2.166 -3.465 250 HA ARG 24 HA ARG 24 -8.904 -2.567 -1.016 251 1HB ARG 24 1HB ARG 24 -10.837 -3.173 -2.361 252 2HB ARG 24 2HB ARG 24 -10.102 -1.657 -2.828 253 1HG ARG 24 1HG ARG 24 -9.524 -2.352 -4.897 254 2HG ARG 24 2HG ARG 24 -9.220 -4.018 -4.418 255 1HD ARG 24 1HD ARG 24 -12.001 -2.800 -4.616 256 2HD ARG 24 2HD ARG 24 -11.227 -3.694 -5.926 257 HE ARG 24 HE ARG 24 -12.416 -4.773 -3.503 258 1HH1 ARG 24 2HH2 ARG 24 -9.854 -5.436 -5.841 259 2HH1 ARG 24 1HH2 ARG 24 -9.980 -7.136 -5.811 260 1HH2 ARG 24 2HH1 ARG 24 -12.895 -6.934 -3.662 261 2HH2 ARG 24 1HH1 ARG 24 -11.790 -8.094 -4.370 262 QB ARG 24 QB ARG 24 -10.469 -2.415 -2.595 263 QG ARG 24 QG ARG 24 -9.372 -3.185 -4.657 264 QD ARG 24 QD ARG 24 -11.614 -3.247 -5.271 265 QH1 ARG 24 QH2 ARG 24 -9.917 -6.286 -5.826 266 QH2 ARG 24 QH1 ARG 24 -12.342 -7.514 -4.016 267 H ARG 25 H ARG 25 -7.609 -5.018 -3.337 268 HA ARG 25 HA ARG 25 -8.862 -7.127 -1.785 269 1HB ARG 25 1HB ARG 25 -7.749 -8.721 -3.074 270 2HB ARG 25 2HB ARG 25 -8.415 -7.517 -4.139 271 1HG ARG 25 1HG ARG 25 -6.331 -6.743 -4.835 272 2HG ARG 25 2HG ARG 25 -5.498 -7.280 -3.373 273 1HD ARG 25 1HD ARG 25 -6.645 -9.158 -5.474 274 2HD ARG 25 2HD ARG 25 -4.962 -8.657 -5.412 275 HE ARG 25 HE ARG 25 -6.307 -10.609 -3.760 276 1HH1 ARG 25 2HH2 ARG 25 -3.308 -8.651 -3.989 277 2HH1 ARG 25 1HH2 ARG 25 -2.659 -9.283 -2.512 278 1HH2 ARG 25 2HH1 ARG 25 -5.358 -11.488 -1.865 279 2HH2 ARG 25 1HH1 ARG 25 -3.795 -10.960 -1.348 280 QB ARG 25 QB ARG 25 -8.082 -8.119 -3.606 281 QG ARG 25 QG ARG 25 -5.914 -7.011 -4.104 282 QD ARG 25 QD ARG 25 -5.804 -8.908 -5.443 283 QH1 ARG 25 QH2 ARG 25 -2.984 -8.967 -3.250 284 QH2 ARG 25 QH1 ARG 25 -4.576 -11.224 -1.606 285 H GLN 26 H GLN 26 -5.873 -5.370 -1.391 286 HA GLN 26 HA GLN 26 -4.542 -7.264 0.310 287 1HB GLN 26 1HB GLN 26 -4.235 -4.361 -0.456 288 2HB GLN 26 2HB GLN 26 -3.488 -4.850 1.033 289 1HG GLN 26 1HG GLN 26 -2.949 -5.950 -1.746 290 2HG GLN 26 2HG GLN 26 -1.922 -4.933 -0.733 291 1HE2 GLN 26 2HE2 GLN 26 -0.996 -7.742 1.456 292 2HE2 GLN 26 1HE2 GLN 26 -1.496 -6.079 1.635 293 QB GLN 26 QB GLN 26 -3.862 -4.606 0.288 294 QG GLN 26 QG GLN 26 -2.436 -5.442 -1.240 295 QE2 GLN 26 QE2 GLN 26 -1.246 -6.910 1.546 296 H ALA 27 H ALA 27 -6.609 -4.346 0.978 297 HA ALA 27 HA ALA 27 -6.683 -4.773 3.822 298 1HB ALA 27 1HB ALA 27 -8.738 -3.535 1.928 299 2HB ALA 27 2HB ALA 27 -8.964 -3.648 3.685 300 3HB ALA 27 3HB ALA 27 -7.617 -2.709 3.048 301 QB ALA 27 QB ALA 27 -8.440 -3.298 2.887 302 H LEU 28 H LEU 28 -8.855 -5.875 1.174 303 HA LEU 28 HA LEU 28 -10.574 -7.401 2.699 304 1HB LEU 28 1HB LEU 28 -10.676 -6.750 0.200 305 2HB LEU 28 2HB LEU 28 -9.681 -8.179 -0.080 306 HG LEU 28 HG LEU 28 -11.562 -9.537 1.053 307 1HD1 LEU 28 3HD1 LEU 28 -13.042 -6.914 0.603 308 2HD1 LEU 28 1HD1 LEU 28 -13.809 -8.465 0.993 309 3HD1 LEU 28 2HD1 LEU 28 -12.742 -7.695 2.185 310 1HD2 LEU 28 2HD2 LEU 28 -12.082 -8.030 -1.525 311 2HD2 LEU 28 3HD2 LEU 28 -11.173 -9.558 -1.320 312 3HD2 LEU 28 1HD2 LEU 28 -12.924 -9.507 -1.017 313 QB LEU 28 QB LEU 28 -10.179 -7.465 0.060 314 QD1 LEU 28 QD1 LEU 28 -13.198 -7.691 1.260 315 QD2 LEU 28 QD2 LEU 28 -12.059 -9.032 -1.287 316 QQD LEU 28 QQD LEU 28 -12.629 -8.362 -0.013 317 H ARG 29 H ARG 29 -7.213 -8.281 1.940 318 HA ARG 29 HA ARG 29 -7.579 -11.115 2.166 319 1HB ARG 29 1HB ARG 29 -5.734 -10.116 0.924 320 2HB ARG 29 2HB ARG 29 -5.169 -9.269 2.354 321 1HG ARG 29 1HG ARG 29 -3.747 -11.163 1.947 322 2HG ARG 29 2HG ARG 29 -4.625 -11.335 3.459 323 1HD ARG 29 1HD ARG 29 -6.253 -12.872 2.262 324 2HD ARG 29 2HD ARG 29 -5.179 -12.762 0.859 325 HE ARG 29 HE ARG 29 -3.582 -14.039 1.915 326 1HH1 ARG 29 2HH2 ARG 29 -6.069 -13.244 4.399 327 2HH1 ARG 29 1HH2 ARG 29 -5.790 -14.702 5.294 328 1HH2 ARG 29 2HH1 ARG 29 -3.001 -15.703 3.336 329 2HH2 ARG 29 1HH1 ARG 29 -3.922 -16.078 4.746 330 QB ARG 29 QB ARG 29 -5.452 -9.692 1.639 331 QG ARG 29 QG ARG 29 -4.186 -11.249 2.703 332 QD ARG 29 QD ARG 29 -5.716 -12.817 1.561 333 QH1 ARG 29 QH2 ARG 29 -5.930 -13.973 4.847 334 QH2 ARG 29 QH1 ARG 29 -3.462 -15.891 4.041 335 H TYR 30 H TYR 30 -7.160 -8.520 4.508 336 HA TYR 30 HA TYR 30 -6.915 -10.571 6.702 337 1HB TYR 30 1HB TYR 30 -5.381 -7.956 6.503 338 2HB TYR 30 2HB TYR 30 -5.211 -9.163 7.749 339 HD1 TYR 30 2HD TYR 30 -4.125 -11.420 7.205 340 HD2 TYR 30 1HD TYR 30 -4.201 -8.115 4.437 341 HE1 TYR 30 2HE TYR 30 -2.236 -12.424 5.952 342 HE2 TYR 30 1HE TYR 30 -2.304 -9.096 3.197 343 HH TYR 30 HH TYR 30 -0.774 -10.752 3.106 344 QB TYR 30 QB TYR 30 -5.296 -8.559 7.126 345 QG TYR 30 QD TYR 30 -4.163 -9.768 5.821 346 QZ TYR 30 QE TYR 30 -2.270 -10.760 4.575 347 QR TYR 30 QR TYR 30 -3.216 -10.264 5.198 348 H HIS 31 H HIS 31 -8.631 -7.740 5.689 349 HA HIS 31 HA HIS 31 -8.612 -6.125 7.801 350 1HB HIS 31 1HB HIS 31 -9.706 -5.652 5.659 351 2HB HIS 31 2HB HIS 31 -11.045 -6.712 6.092 352 HD1 HIS 31 1HD HIS 31 -9.370 -3.723 8.044 353 HD2 HIS 31 2HD HIS 31 -13.029 -5.080 6.422 354 HE1 HIS 31 1HE HIS 31 -11.115 -2.055 8.736 355 QB HIS 31 QB HIS 31 -10.376 -6.182 5.876 356 HA PRO 32 HA PRO 32 -10.107 -8.774 11.014 357 1HB PRO 32 1HB PRO 32 -10.225 -7.029 13.157 358 2HB PRO 32 2HB PRO 32 -8.715 -7.708 12.469 359 1HG PRO 32 1HG PRO 32 -10.022 -5.033 11.832 360 2HG PRO 32 2HG PRO 32 -8.312 -5.331 12.280 361 1HD PRO 32 1HD PRO 32 -9.029 -5.084 9.714 362 2HD PRO 32 2HD PRO 32 -7.875 -6.381 10.175 363 QB PRO 32 QB PRO 32 -9.470 -7.369 12.813 364 QG PRO 32 QG PRO 32 -9.167 -5.182 12.056 365 QD PRO 32 QD PRO 32 -8.452 -5.732 9.945 366 H ASP 33 H ASP 33 -11.932 -5.945 10.045 367 HA ASP 33 HA ASP 33 -14.205 -6.463 11.742 368 1HB ASP 33 1HB ASP 33 -13.258 -4.288 10.415 369 2HB ASP 33 2HB ASP 33 -14.419 -4.831 9.211 370 QB ASP 33 QB ASP 33 -13.839 -4.560 9.813 371 H LYS 34 H LYS 34 -13.029 -7.907 8.940 372 HA LYS 34 HA LYS 34 -15.666 -8.899 7.949 373 1HB LYS 34 1HB LYS 34 -15.015 -7.022 6.603 374 2HB LYS 34 2HB LYS 34 -13.343 -7.558 6.561 375 1HG LYS 34 1HG LYS 34 -14.176 -7.819 4.436 376 2HG LYS 34 2HG LYS 34 -13.959 -9.446 5.076 377 1HD LYS 34 1HD LYS 34 -16.277 -9.854 5.197 378 2HD LYS 34 2HD LYS 34 -16.694 -8.117 5.097 379 1HE LYS 34 1HE LYS 34 -16.076 -7.938 2.830 380 2HE LYS 34 2HE LYS 34 -15.066 -9.383 2.889 381 1HZ LYS 34 2HZ LYS 34 -18.019 -9.464 2.970 382 2HZ LYS 34 3HZ LYS 34 -17.089 -9.677 1.643 383 3HZ LYS 34 1HZ LYS 34 -16.961 -10.754 2.871 384 QB LYS 34 QB LYS 34 -14.179 -7.290 6.582 385 QG LYS 34 QG LYS 34 -14.067 -8.632 4.756 386 QD LYS 34 QD LYS 34 -16.485 -8.986 5.147 387 QE LYS 34 QE LYS 34 -15.571 -8.660 2.859 388 QZ LYS 34 QZ LYS 34 -17.356 -9.965 2.495 389 H ASN 35 H ASN 35 -12.330 -9.689 8.795 390 HA ASN 35 HA ASN 35 -12.636 -12.384 7.606 391 1HB ASN 35 1HB ASN 35 -10.264 -10.798 8.660 392 2HB ASN 35 2HB ASN 35 -10.218 -12.557 8.542 393 1HD2 ASN 35 2HD2 ASN 35 -9.061 -12.110 5.223 394 2HD2 ASN 35 1HD2 ASN 35 -8.548 -12.498 6.838 395 QB ASN 35 QB ASN 35 -10.241 -11.678 8.601 396 QD2 ASN 35 QD2 ASN 35 -8.805 -12.304 6.030 397 H LYS 36 H LYS 36 -10.991 -11.568 10.557 398 HA LYS 36 HA LYS 36 -12.250 -11.581 12.734 399 1HB LYS 36 1HB LYS 36 -12.722 -14.286 11.608 400 2HB LYS 36 2HB LYS 36 -12.386 -14.223 13.336 401 1HG LYS 36 1HG LYS 36 -14.174 -12.698 13.785 402 2HG LYS 36 2HG LYS 36 -14.601 -12.580 12.071 403 1HD LYS 36 1HD LYS 36 -15.412 -14.827 12.004 404 2HD LYS 36 2HD LYS 36 -14.603 -15.245 13.519 405 1HE LYS 36 1HE LYS 36 -17.021 -14.993 13.872 406 2HE LYS 36 2HE LYS 36 -16.081 -13.841 14.807 407 1HZ LYS 36 1HZ LYS 36 -16.572 -12.179 13.057 408 2HZ LYS 36 2HZ LYS 36 -17.600 -13.250 12.347 409 3HZ LYS 36 3HZ LYS 36 -17.879 -12.665 13.871 410 QB LYS 36 QB LYS 36 -12.554 -14.255 12.472 411 QG LYS 36 QG LYS 36 -14.387 -12.639 12.928 412 QD LYS 36 QD LYS 36 -15.007 -15.036 12.761 413 QE LYS 36 QE LYS 36 -16.551 -14.417 14.339 414 QZ LYS 36 QZ LYS 36 -17.350 -12.698 13.092 415 H GLU 37 H GLU 37 -9.772 -13.129 10.904 416 HA GLU 37 HA GLU 37 -8.686 -14.841 12.628 417 1HB GLU 37 1HB GLU 37 -8.424 -14.715 10.224 418 2HB GLU 37 2HB GLU 37 -7.462 -13.256 10.356 419 1HG GLU 37 1HG GLU 37 -5.689 -14.543 11.520 420 2HG GLU 37 2HG GLU 37 -6.693 -16.006 11.408 421 QB GLU 37 QB GLU 37 -7.943 -13.986 10.290 422 QG GLU 37 QG GLU 37 -6.191 -15.274 11.464 423 HA PRO 38 HA PRO 38 -6.197 -12.448 15.573 424 1HB PRO 38 1HB PRO 38 -4.427 -14.380 16.406 425 2HB PRO 38 2HB PRO 38 -6.135 -14.316 16.937 426 1HG PRO 38 1HG PRO 38 -4.944 -15.961 14.677 427 2HG PRO 38 2HG PRO 38 -6.007 -16.529 16.000 428 1HD PRO 38 1HD PRO 38 -7.034 -15.923 13.592 429 2HD PRO 38 2HD PRO 38 -7.900 -15.426 15.070 430 QB PRO 38 QB PRO 38 -5.281 -14.348 16.672 431 QG PRO 38 QG PRO 38 -5.476 -16.245 15.338 432 QD PRO 38 QD PRO 38 -7.467 -15.675 14.331 433 H GLY 39 H GLY 39 -4.239 -11.325 15.457 434 1HA GLY 39 1HA GLY 39 -2.284 -10.518 14.616 435 2HA GLY 39 2HA GLY 39 -2.030 -12.037 13.767 436 QA GLY 39 QA GLY 39 -2.157 -11.277 14.191 437 H ALA 40 H ALA 40 -4.898 -11.491 12.475 438 HA ALA 40 HA ALA 40 -3.901 -10.267 10.091 439 1HB ALA 40 3HB ALA 40 -5.688 -11.980 10.232 440 2HB ALA 40 1HB ALA 40 -6.794 -10.726 10.872 441 3HB ALA 40 2HB ALA 40 -6.107 -10.585 9.247 442 QB ALA 40 QB ALA 40 -6.197 -11.097 10.117 443 H GLU 41 H GLU 41 -5.518 -9.001 12.961 444 HA GLU 41 HA GLU 41 -6.177 -6.405 11.973 445 1HB GLU 41 1HB GLU 41 -7.257 -6.670 13.900 446 2HB GLU 41 2HB GLU 41 -6.145 -7.854 14.503 447 1HG GLU 41 1HG GLU 41 -5.281 -4.961 14.649 448 2HG GLU 41 2HG GLU 41 -6.578 -5.514 15.698 449 QB GLU 41 QB GLU 41 -6.701 -7.262 14.201 450 QG GLU 41 QG GLU 41 -5.929 -5.238 15.173 451 H GLU 42 H GLU 42 -3.179 -7.717 13.395 452 HA GLU 42 HA GLU 42 -1.731 -5.248 13.300 453 1HB GLU 42 1HB GLU 42 -0.991 -7.083 14.700 454 2HB GLU 42 2HB GLU 42 -0.801 -8.126 13.293 455 1HG GLU 42 1HG GLU 42 1.341 -7.288 14.090 456 2HG GLU 42 2HG GLU 42 1.033 -6.775 12.438 457 QB GLU 42 QB GLU 42 -0.896 -7.605 13.996 458 QG GLU 42 QG GLU 42 1.187 -7.031 13.264 459 H LYS 43 H LYS 43 -2.049 -7.989 11.021 460 HA LYS 43 HA LYS 43 -0.328 -7.008 9.064 461 1HB LYS 43 1HB LYS 43 -2.292 -9.154 9.384 462 2HB LYS 43 2HB LYS 43 -2.415 -8.474 7.795 463 1HG LYS 43 1HG LYS 43 -0.806 -10.278 7.687 464 2HG LYS 43 2HG LYS 43 0.100 -8.770 7.545 465 1HD LYS 43 1HD LYS 43 1.346 -10.063 9.090 466 2HD LYS 43 2HD LYS 43 0.472 -8.933 10.111 467 1HE LYS 43 1HE LYS 43 -1.316 -10.831 10.316 468 2HE LYS 43 2HE LYS 43 -0.101 -11.872 9.570 469 1HZ LYS 43 1HZ LYS 43 1.406 -11.076 11.433 470 2HZ LYS 43 2HZ LYS 43 0.072 -10.471 12.172 471 3HZ LYS 43 3HZ LYS 43 0.172 -12.066 11.886 472 QB LYS 43 QB LYS 43 -2.353 -8.814 8.589 473 QG LYS 43 QG LYS 43 -0.353 -9.524 7.616 474 QD LYS 43 QD LYS 43 0.909 -9.498 9.601 475 QE LYS 43 QE LYS 43 -0.708 -11.351 9.943 476 QZ LYS 43 QZ LYS 43 0.550 -11.204 11.831 477 H PHE 44 H PHE 44 -3.821 -6.455 9.518 478 HA PHE 44 HA PHE 44 -4.269 -4.780 7.282 479 1HB PHE 44 1HB PHE 44 -6.014 -5.777 8.708 480 2HB PHE 44 2HB PHE 44 -5.529 -4.781 10.057 481 HD1 PHE 44 1HD PHE 44 -6.604 -4.353 6.451 482 HD2 PHE 44 2HD PHE 44 -6.734 -2.822 10.490 483 HE1 PHE 44 1HE PHE 44 -8.005 -2.454 5.700 484 HE2 PHE 44 2HE PHE 44 -8.159 -0.958 9.739 485 1HZ PHE 44 HZ PHE 44 -8.759 -0.733 7.334 486 QB PHE 44 QB PHE 44 -5.772 -5.279 9.383 487 QG PHE 44 QD PHE 44 -6.669 -3.588 8.471 488 QZ PHE 44 QE PHE 44 -8.082 -1.706 7.720 489 QZ PHE 44 QR PHE 44 -7.652 -2.264 7.943 490 H LYS 45 H LYS 45 -3.157 -3.969 10.603 491 HA LYS 45 HA LYS 45 -2.860 -1.164 10.139 492 1HB LYS 45 1HB LYS 45 -1.327 -2.942 12.085 493 2HB LYS 45 2HB LYS 45 -1.220 -1.200 12.024 494 1HG LYS 45 1HG LYS 45 -4.018 -1.958 12.156 495 2HG LYS 45 2HG LYS 45 -3.138 -2.818 13.415 496 1HD LYS 45 1HD LYS 45 -3.014 0.200 12.984 497 2HD LYS 45 2HD LYS 45 -4.074 -0.612 14.152 498 1HE LYS 45 1HE LYS 45 -2.160 -1.585 15.306 499 2HE LYS 45 2HE LYS 45 -1.034 -0.893 14.137 500 1HZ LYS 45 2HZ LYS 45 -1.715 1.321 14.928 501 2HZ LYS 45 3HZ LYS 45 -2.740 0.627 16.004 502 3HZ LYS 45 1HZ LYS 45 -1.125 0.376 16.143 503 QB LYS 45 QB LYS 45 -1.274 -2.071 12.054 504 QG LYS 45 QG LYS 45 -3.578 -2.388 12.785 505 QD LYS 45 QD LYS 45 -3.544 -0.206 13.568 506 QE LYS 45 QE LYS 45 -1.597 -1.239 14.721 507 QZ LYS 45 QZ LYS 45 -1.860 0.775 15.692 508 H GLU 46 H GLU 46 -0.532 -3.843 9.619 509 HA GLU 46 HA GLU 46 1.680 -2.250 9.064 510 1HB GLU 46 1HB GLU 46 1.138 -4.857 9.587 511 2HB GLU 46 2HB GLU 46 1.303 -5.024 7.854 512 1HG GLU 46 1HG GLU 46 3.417 -3.599 9.500 513 2HG GLU 46 2HG GLU 46 3.260 -5.343 9.583 514 QB GLU 46 QB GLU 46 1.221 -4.940 8.721 515 QG GLU 46 QG GLU 46 3.338 -4.471 9.541 516 H ILE 47 H ILE 47 -0.644 -3.871 6.911 517 HA ILE 47 HA ILE 47 0.201 -2.868 4.362 518 HB ILE 47 HB ILE 47 -2.487 -3.690 5.483 519 1HG1 ILE 47 1HG1 ILE 47 -0.639 -5.094 3.499 520 2HG1 ILE 47 2HG1 ILE 47 -0.602 -5.412 5.230 521 1HG2 ILE 47 2HG2 ILE 47 -2.818 -2.138 3.565 522 2HG2 ILE 47 3HG2 ILE 47 -1.779 -3.169 2.551 523 3HG2 ILE 47 1HG2 ILE 47 -3.348 -3.750 3.185 524 1HD1 ILE 47 1HD1 ILE 47 -3.045 -5.992 5.137 525 2HD1 ILE 47 2HD1 ILE 47 -2.945 -5.899 3.362 526 3HD1 ILE 47 3HD1 ILE 47 -1.944 -7.065 4.242 527 QG1 ILE 47 QG1 ILE 47 -0.621 -5.253 4.365 528 QG2 ILE 47 QG2 ILE 47 -2.648 -3.019 3.100 529 QD1 ILE 47 QD1 ILE 47 -2.645 -6.318 4.247 530 H ALA 48 H ALA 48 -1.961 -1.453 6.916 531 HA ALA 48 HA ALA 48 -3.056 0.509 5.279 532 1HB ALA 48 2HB ALA 48 -2.688 0.530 8.263 533 2HB ALA 48 3HB ALA 48 -3.704 1.666 7.352 534 3HB ALA 48 1HB ALA 48 -4.098 -0.062 7.338 535 QB ALA 48 QB ALA 48 -3.497 0.712 7.651 536 H GLU 49 H GLU 49 0.010 0.500 6.942 537 HA GLU 49 HA GLU 49 0.554 3.330 6.829 538 1HB GLU 49 1HB GLU 49 1.775 1.421 8.160 539 2HB GLU 49 2HB GLU 49 2.630 1.104 6.654 540 1HG GLU 49 1HG GLU 49 4.072 2.520 7.844 541 2HG GLU 49 2HG GLU 49 3.305 3.612 6.698 542 QB GLU 49 QB GLU 49 2.203 1.262 7.407 543 QG GLU 49 QG GLU 49 3.688 3.066 7.271 544 H ALA 50 H ALA 50 1.124 0.649 4.585 545 HA ALA 50 HA ALA 50 2.396 2.288 2.517 546 1HB ALA 50 1HB ALA 50 3.018 -0.078 2.800 547 2HB ALA 50 2HB ALA 50 1.339 -0.569 2.461 548 3HB ALA 50 3HB ALA 50 2.299 0.233 1.213 549 QB ALA 50 QB ALA 50 2.218 -0.138 2.158 550 H TYR 51 H TYR 51 -0.775 0.970 3.296 551 HA TYR 51 HA TYR 51 -2.178 1.361 0.887 552 1HB TYR 51 1HB TYR 51 -2.742 0.209 3.177 553 2HB TYR 51 2HB TYR 51 -3.366 1.784 3.634 554 HD1 TYR 51 2HD TYR 51 -5.437 2.671 2.505 555 HD2 TYR 51 1HD TYR 51 -3.943 -1.332 1.892 556 HE1 TYR 51 2HE TYR 51 -7.709 1.889 1.882 557 HE2 TYR 51 1HE TYR 51 -6.192 -2.100 1.363 558 HH TYR 51 HH TYR 51 -9.042 0.084 1.360 559 QB TYR 51 QB TYR 51 -3.054 0.997 3.405 560 QG TYR 51 QD TYR 51 -4.690 0.670 2.198 561 QZ TYR 51 QE TYR 51 -6.950 -0.106 1.622 562 QR TYR 51 QR TYR 51 -5.820 0.282 1.910 563 H ASP 52 H ASP 52 -1.704 3.541 3.695 564 HA ASP 52 HA ASP 52 -3.117 5.808 2.883 565 1HB ASP 52 1HB ASP 52 -2.104 5.588 5.069 566 2HB ASP 52 2HB ASP 52 -0.492 5.463 4.374 567 QB ASP 52 QB ASP 52 -1.298 5.526 4.722 568 H VAL 53 H VAL 53 0.318 5.033 2.233 569 HA VAL 53 HA VAL 53 0.811 7.329 0.606 570 HB VAL 53 HB VAL 53 2.159 4.568 0.621 571 1HG1 VAL 53 1HG1 VAL 53 3.053 7.119 -0.766 572 2HG1 VAL 53 2HG1 VAL 53 4.101 5.698 -0.474 573 3HG1 VAL 53 3HG1 VAL 53 2.685 5.546 -1.497 574 1HG2 VAL 53 2HG2 VAL 53 2.693 7.153 2.019 575 2HG2 VAL 53 3HG2 VAL 53 2.493 5.516 2.687 576 3HG2 VAL 53 1HG2 VAL 53 3.969 5.924 1.789 577 QG1 VAL 53 QG1 VAL 53 3.280 6.121 -0.912 578 QG2 VAL 53 QG2 VAL 53 3.052 6.198 2.165 579 QQG VAL 53 QQG VAL 53 3.166 6.159 0.626 580 H LEU 54 H LEU 54 0.013 3.917 -0.319 581 HA LEU 54 HA LEU 54 0.362 4.608 -3.038 582 1HB LEU 54 1HB LEU 54 -0.512 2.138 -1.570 583 2HB LEU 54 2HB LEU 54 -0.819 2.312 -3.285 584 HG LEU 54 HG LEU 54 1.648 2.973 -3.560 585 1HD1 LEU 54 2HD1 LEU 54 1.808 1.544 -0.875 586 2HD1 LEU 54 3HD1 LEU 54 3.183 1.892 -1.928 587 3HD1 LEU 54 1HD1 LEU 54 2.270 3.225 -1.204 588 1HD2 LEU 54 2HD2 LEU 54 0.478 0.687 -4.118 589 2HD2 LEU 54 3HD2 LEU 54 2.233 0.880 -4.198 590 3HD2 LEU 54 1HD2 LEU 54 1.500 0.108 -2.794 591 QB LEU 54 QB LEU 54 -0.665 2.225 -2.427 592 QD1 LEU 54 QD1 LEU 54 2.420 2.220 -1.336 593 QD2 LEU 54 QD2 LEU 54 1.404 0.558 -3.703 594 QQD LEU 54 QQD LEU 54 1.912 1.389 -2.520 595 H SER 55 H SER 55 -2.508 4.668 -0.971 596 HA SER 55 HA SER 55 -4.256 5.090 -3.282 597 1HB SER 55 1HB SER 55 -5.995 5.477 -1.644 598 2HB SER 55 2HB SER 55 -5.137 3.973 -1.327 599 HG SER 55 HG SER 55 -4.064 4.903 0.362 600 QB SER 55 QB SER 55 -5.566 4.725 -1.485 601 H ASP 56 H ASP 56 -2.416 7.203 -0.975 602 HA ASP 56 HA ASP 56 -4.043 9.484 -1.690 603 1HB ASP 56 1HB ASP 56 -3.147 9.300 0.574 604 2HB ASP 56 2HB ASP 56 -1.490 9.279 -0.057 605 QB ASP 56 QB ASP 56 -2.318 9.290 0.258 606 HA PRO 57 HA PRO 57 -1.504 9.986 -5.296 607 1HB PRO 57 1HB PRO 57 -2.488 12.373 -6.329 608 2HB PRO 57 2HB PRO 57 -3.329 10.795 -6.463 609 1HG PRO 57 1HG PRO 57 -3.781 12.994 -4.434 610 2HG PRO 57 2HG PRO 57 -4.999 12.069 -5.363 611 1HD PRO 57 1HD PRO 57 -4.365 11.436 -2.790 612 2HD PRO 57 2HD PRO 57 -4.715 10.155 -3.999 613 QB PRO 57 QB PRO 57 -2.909 11.584 -6.396 614 QG PRO 57 QG PRO 57 -4.390 12.532 -4.899 615 QD PRO 57 QD PRO 57 -4.540 10.795 -3.395 616 H ARG 58 H ARG 58 -1.533 12.380 -2.728 617 HA ARG 58 HA ARG 58 0.563 13.979 -4.075 618 1HB ARG 58 1HB ARG 58 -0.970 14.321 -1.465 619 2HB ARG 58 2HB ARG 58 0.274 15.421 -2.078 620 1HG ARG 58 1HG ARG 58 -1.108 15.757 -4.155 621 2HG ARG 58 2HG ARG 58 -2.341 14.713 -3.476 622 1HD ARG 58 1HD ARG 58 -2.895 17.078 -3.170 623 2HD ARG 58 2HD ARG 58 -2.794 16.176 -1.675 624 HE ARG 58 HE ARG 58 -1.554 17.887 -0.985 625 1HH1 ARG 58 2HH2 ARG 58 -0.252 17.308 -4.292 626 2HH1 ARG 58 1HH2 ARG 58 1.023 18.462 -4.064 627 1HH2 ARG 58 2HH1 ARG 58 0.185 19.370 -0.791 628 2HH2 ARG 58 1HH1 ARG 58 1.226 19.608 -2.174 629 QB ARG 58 QB ARG 58 -0.348 14.871 -1.771 630 QG ARG 58 QG ARG 58 -1.724 15.235 -3.816 631 QD ARG 58 QD ARG 58 -2.844 16.627 -2.423 632 QH1 ARG 58 QH2 ARG 58 0.385 17.885 -4.178 633 QH2 ARG 58 QH1 ARG 58 0.705 19.489 -1.483 634 H LYS 59 H LYS 59 0.182 11.694 -1.376 635 HA LYS 59 HA LYS 59 2.813 12.140 -0.350 636 1HB LYS 59 1HB LYS 59 0.658 10.908 0.631 637 2HB LYS 59 2HB LYS 59 1.392 9.468 -0.051 638 1HG LYS 59 1HG LYS 59 2.543 11.357 2.046 639 2HG LYS 59 2HG LYS 59 1.871 9.765 2.325 640 1HD LYS 59 1HD LYS 59 3.923 8.913 2.199 641 2HD LYS 59 2HD LYS 59 3.940 9.267 0.488 642 1HE LYS 59 1HE LYS 59 5.905 10.234 1.378 643 2HE LYS 59 2HE LYS 59 4.820 11.610 1.137 644 1HZ LYS 59 3HZ LYS 59 5.058 10.222 3.754 645 2HZ LYS 59 1HZ LYS 59 6.025 11.480 3.331 646 3HZ LYS 59 2HZ LYS 59 4.414 11.684 3.477 647 QB LYS 59 QB LYS 59 1.025 10.188 0.290 648 QG LYS 59 QG LYS 59 2.207 10.561 2.186 649 QD LYS 59 QD LYS 59 3.932 9.090 1.343 650 QE LYS 59 QE LYS 59 5.362 10.922 1.257 651 QZ LYS 59 QZ LYS 59 5.166 11.129 3.521 652 H ARG 60 H ARG 60 1.416 9.627 -2.637 653 HA ARG 60 HA ARG 60 3.872 8.380 -3.004 654 1HB ARG 60 1HB ARG 60 1.305 7.821 -3.699 655 2HB ARG 60 2HB ARG 60 1.906 8.354 -5.286 656 1HG ARG 60 1HG ARG 60 3.841 6.750 -5.022 657 2HG ARG 60 2HG ARG 60 3.208 6.382 -3.410 658 1HD ARG 60 1HD ARG 60 2.503 4.598 -4.641 659 2HD ARG 60 2HD ARG 60 1.077 5.641 -4.573 660 HE ARG 60 HE ARG 60 2.988 5.436 -6.909 661 1HH1 ARG 60 2HH2 ARG 60 -0.372 6.003 -5.832 662 2HH1 ARG 60 1HH2 ARG 60 -0.912 6.420 -7.397 663 1HH2 ARG 60 2HH1 ARG 60 2.228 6.093 -8.956 664 2HH2 ARG 60 1HH1 ARG 60 0.589 6.527 -9.189 665 QB ARG 60 QB ARG 60 1.606 8.087 -4.492 666 QG ARG 60 QG ARG 60 3.524 6.566 -4.216 667 QD ARG 60 QD ARG 60 1.790 5.119 -4.607 668 QH1 ARG 60 QH2 ARG 60 -0.642 6.211 -6.614 669 QH2 ARG 60 QH1 ARG 60 1.409 6.310 -9.073 670 H GLU 61 H GLU 61 2.963 11.493 -4.327 671 HA GLU 61 HA GLU 61 4.340 11.353 -6.771 672 1HB GLU 61 1HB GLU 61 2.871 13.201 -5.525 673 2HB GLU 61 2HB GLU 61 4.409 13.817 -4.957 674 1HG GLU 61 1HG GLU 61 3.605 13.372 -7.870 675 2HG GLU 61 2HG GLU 61 3.427 14.889 -6.986 676 QB GLU 61 QB GLU 61 3.640 13.509 -5.241 677 QG GLU 61 QG GLU 61 3.516 14.130 -7.428 678 H ILE 62 H ILE 62 5.525 11.919 -3.484 679 HA ILE 62 HA ILE 62 8.243 12.471 -4.190 680 HB ILE 62 HB ILE 62 6.980 11.377 -1.615 681 1HG1 ILE 62 1HG1 ILE 62 7.574 14.292 -2.284 682 2HG1 ILE 62 2HG1 ILE 62 5.977 13.557 -2.374 683 1HG2 ILE 62 3HG2 ILE 62 9.466 11.110 -1.636 684 2HG2 ILE 62 1HG2 ILE 62 9.620 12.870 -1.845 685 3HG2 ILE 62 2HG2 ILE 62 8.900 12.179 -0.383 686 1HD1 ILE 62 1HD1 ILE 62 6.135 12.928 0.040 687 2HD1 ILE 62 2HD1 ILE 62 7.621 13.903 0.148 688 3HD1 ILE 62 3HD1 ILE 62 6.088 14.674 -0.285 689 QG1 ILE 62 QG1 ILE 62 6.775 13.924 -2.329 690 QG2 ILE 62 QG2 ILE 62 9.329 12.053 -1.288 691 QD1 ILE 62 QD1 ILE 62 6.615 13.835 -0.032 692 H PHE 63 H PHE 63 6.439 9.527 -3.322 693 HA PHE 63 HA PHE 63 8.722 7.763 -3.103 694 1HB PHE 63 1HB PHE 63 6.407 7.393 -2.145 695 2HB PHE 63 2HB PHE 63 5.813 7.152 -3.776 696 HD1 PHE 63 2HD PHE 63 6.686 5.176 -5.168 697 HD2 PHE 63 1HD PHE 63 7.524 5.661 -0.957 698 HE1 PHE 63 2HE PHE 63 7.224 2.758 -4.974 699 HE2 PHE 63 1HE PHE 63 8.072 3.272 -0.790 700 1HZ PHE 63 HZ PHE 63 7.857 1.791 -2.773 701 QB PHE 63 QB PHE 63 6.110 7.272 -2.960 702 QG PHE 63 QD PHE 63 7.105 5.418 -3.062 703 QZ PHE 63 QE PHE 63 7.648 3.015 -2.882 704 QZ PHE 63 QR PHE 63 7.473 3.732 -2.932 705 H ASP 64 H ASP 64 6.467 8.682 -5.726 706 HA ASP 64 HA ASP 64 7.393 6.781 -7.623 707 1HB ASP 64 1HB ASP 64 5.167 8.083 -7.613 708 2HB ASP 64 2HB ASP 64 6.078 9.467 -8.189 709 QB ASP 64 QB ASP 64 5.623 8.775 -7.901 710 H ARG 65 H ARG 65 8.126 10.285 -7.115 711 HA ARG 65 HA ARG 65 9.815 10.512 -9.335 712 1HB ARG 65 1HB ARG 65 10.167 12.639 -8.655 713 2HB ARG 65 2HB ARG 65 8.588 12.303 -7.950 714 1HG ARG 65 1HG ARG 65 9.763 11.910 -5.764 715 2HG ARG 65 2HG ARG 65 11.246 12.529 -6.513 716 1HD ARG 65 1HD ARG 65 8.599 14.010 -6.304 717 2HD ARG 65 2HD ARG 65 9.969 14.240 -5.220 718 HE ARG 65 HE ARG 65 11.326 14.933 -7.211 719 1HH1 ARG 65 2HH2 ARG 65 7.730 15.256 -7.508 720 2HH1 ARG 65 1HH2 ARG 65 7.879 16.344 -8.821 721 1HH2 ARG 65 2HH1 ARG 65 11.416 16.356 -8.821 722 2HH2 ARG 65 1HH1 ARG 65 10.004 17.171 -9.476 723 QB ARG 65 QB ARG 65 9.377 12.471 -8.302 724 QG ARG 65 QG ARG 65 10.505 12.220 -6.138 725 QD ARG 65 QD ARG 65 9.284 14.125 -5.762 726 QH1 ARG 65 QH2 ARG 65 7.804 15.800 -8.164 727 QH2 ARG 65 QH1 ARG 65 10.710 16.764 -9.148 728 H TYR 66 H TYR 66 10.619 9.909 -5.937 729 HA TYR 66 HA TYR 66 13.493 9.772 -6.603 730 1HB TYR 66 1HB TYR 66 12.003 9.571 -3.980 731 2HB TYR 66 2HB TYR 66 13.755 9.568 -4.136 732 HD1 TYR 66 1HD TYR 66 14.634 11.629 -5.766 733 HD2 TYR 66 2HD TYR 66 11.192 11.641 -3.180 734 HE1 TYR 66 1HE TYR 66 14.759 14.089 -5.621 735 HE2 TYR 66 2HE TYR 66 11.332 14.110 -2.994 736 HH TYR 66 HH TYR 66 13.984 15.965 -4.405 737 QB TYR 66 QB TYR 66 12.879 9.569 -4.058 738 QG TYR 66 QD TYR 66 12.913 11.635 -4.473 739 QZ TYR 66 QE TYR 66 13.046 14.100 -4.308 740 QR TYR 66 QR TYR 66 12.979 12.867 -4.390 741 H GLY 67 H GLY 67 10.907 7.432 -5.835 742 1HA GLY 67 1HA GLY 67 11.087 5.109 -5.803 743 2HA GLY 67 2HA GLY 67 12.857 5.206 -5.768 744 QA GLY 67 QA GLY 67 11.972 5.157 -5.785 745 H GLU 68 H GLU 68 12.452 3.686 -3.872 746 HA GLU 68 HA GLU 68 10.984 4.285 -1.617 747 1HB GLU 68 1HB GLU 68 12.765 2.229 -2.424 748 2HB GLU 68 2HB GLU 68 13.504 2.869 -0.981 749 1HG GLU 68 1HG GLU 68 12.110 1.114 -0.251 750 2HG GLU 68 2HG GLU 68 11.278 2.596 0.214 751 QB GLU 68 QB GLU 68 13.134 2.549 -1.703 752 QG GLU 68 QG GLU 68 11.694 1.855 -0.019 753 H GLU 69 H GLU 69 14.177 5.450 -2.476 754 HA GLU 69 HA GLU 69 15.099 6.206 0.080 755 1HB GLU 69 1HB GLU 69 16.817 7.422 -1.093 756 2HB GLU 69 2HB GLU 69 16.477 5.932 -1.968 757 1HG GLU 69 1HG GLU 69 15.176 7.182 -3.629 758 2HG GLU 69 2HG GLU 69 15.422 8.687 -2.725 759 QB GLU 69 QB GLU 69 16.647 6.677 -1.530 760 QG GLU 69 QG GLU 69 15.299 7.935 -3.177 761 H GLY 70 H GLY 70 12.779 7.792 -2.038 762 1HA GLY 70 1HA GLY 70 13.039 10.432 -0.819 763 2HA GLY 70 2HA GLY 70 11.750 9.865 -1.893 764 QA GLY 70 QA GLY 70 12.394 10.149 -1.356 765 H LEU 71 H LEU 71 11.508 7.425 0.095 766 HA LEU 71 HA LEU 71 9.474 8.783 1.736 767 1HB LEU 71 1HB LEU 71 9.223 6.573 0.282 768 2HB LEU 71 2HB LEU 71 9.886 5.787 1.695 769 HG LEU 71 HG LEU 71 7.496 5.670 1.787 770 1HD1 LEU 71 2HD1 LEU 71 8.537 6.156 3.979 771 2HD1 LEU 71 3HD1 LEU 71 8.241 7.895 3.737 772 3HD1 LEU 71 1HD1 LEU 71 6.882 6.763 3.856 773 1HD2 LEU 71 1HD2 LEU 71 6.991 7.552 0.238 774 2HD2 LEU 71 2HD2 LEU 71 5.979 7.544 1.689 775 3HD2 LEU 71 3HD2 LEU 71 7.321 8.698 1.548 776 QB LEU 71 QB LEU 71 9.554 6.180 0.989 777 QD1 LEU 71 QD1 LEU 71 7.887 6.938 3.857 778 QD2 LEU 71 QD2 LEU 71 6.764 7.932 1.158 779 QQD LEU 71 QQD LEU 71 7.325 7.435 2.508 780 H LYS 72 H LYS 72 11.682 9.741 2.581 781 HA LYS 72 HA LYS 72 12.804 8.219 4.838 782 1HB LYS 72 1HB LYS 72 13.595 10.582 3.416 783 2HB LYS 72 2HB LYS 72 13.179 11.123 5.028 784 1HG LYS 72 1HG LYS 72 15.473 10.627 5.072 785 2HG LYS 72 2HG LYS 72 14.674 9.341 5.992 786 1HD LYS 72 1HD LYS 72 14.912 7.787 4.089 787 2HD LYS 72 2HD LYS 72 15.413 9.126 3.049 788 1HE LYS 72 1HE LYS 72 17.386 7.869 3.632 789 2HE LYS 72 2HE LYS 72 17.448 9.457 4.406 790 1HZ LYS 72 3HZ LYS 72 16.724 8.397 6.460 791 2HZ LYS 72 1HZ LYS 72 16.816 6.879 5.727 792 3HZ LYS 72 2HZ LYS 72 18.126 7.831 5.936 793 QB LYS 72 QB LYS 72 13.387 10.853 4.222 794 QG LYS 72 QG LYS 72 15.073 9.984 5.532 795 QD LYS 72 QD LYS 72 15.163 8.457 3.569 796 QE LYS 72 QE LYS 72 17.417 8.663 4.019 797 QZ LYS 72 QZ LYS 72 17.222 7.702 6.041 798 H GLY 73 H GLY 73 10.823 7.558 5.647 799 1HA GLY 73 1HA GLY 73 8.645 9.090 6.538 800 2HA GLY 73 2HA GLY 73 9.217 7.593 7.314 801 QA GLY 73 QA GLY 73 8.931 8.341 6.926 802 H SER 74 H SER 74 11.194 7.856 8.761 803 HA SER 74 HA SER 74 12.211 10.420 9.378 804 1HB SER 74 1HB SER 74 10.616 8.956 11.540 805 2HB SER 74 2HB SER 74 11.805 10.220 11.890 806 HG SER 74 HG SER 74 9.903 10.816 9.939 807 QB SER 74 QB SER 74 11.211 9.588 11.715 808 H GLY 75 H GLY 75 14.282 10.080 10.513 809 1HA GLY 75 1HA GLY 75 15.340 7.697 11.477 810 2HA GLY 75 2HA GLY 75 15.716 7.761 9.740 811 QA GLY 75 QA GLY 75 15.528 7.729 10.608 812 H CYS 76 H CYS 76 17.392 8.170 12.262 813 HA CYS 76 HA CYS 76 18.892 9.493 13.251 814 1HB CYS 76 1HB CYS 76 18.956 10.861 10.538 815 2HB CYS 76 2HB CYS 76 19.673 11.655 11.919 816 HG CYS 76 HG CYS 76 21.574 10.586 10.675 817 QB CYS 76 QB CYS 76 19.315 11.258 11.229 No H/Q in entry = 817 Start of MODEL 9 1 H MET 0 H MET 0 12.119 -1.981 0.388 2 HA MET 0 HA MET 0 13.804 -2.095 2.186 3 1HB MET 0 1HB MET 0 15.566 -2.164 0.095 4 2HB MET 0 2HB MET 0 15.638 -0.434 0.452 5 1HG MET 0 1HG MET 0 17.393 -1.798 1.541 6 2HG MET 0 2HG MET 0 16.428 -0.871 2.686 7 1HE MET 0 1HE MET 0 14.663 -1.721 4.144 8 2HE MET 0 2HE MET 0 14.892 -3.262 4.998 9 3HE MET 0 3HE MET 0 16.197 -2.049 4.961 10 QB MET 0 QB MET 0 15.602 -1.299 0.273 11 QG MET 0 QG MET 0 16.910 -1.334 2.113 12 QE MET 0 QE MET 0 15.250 -2.344 4.701 13 H GLY 1 H GLY 1 14.928 0.377 2.981 14 1HA GLY 1 1HA GLY 1 14.295 2.443 3.673 15 2HA GLY 1 2HA GLY 1 13.651 2.633 2.041 16 QA GLY 1 QA GLY 1 13.973 2.538 2.857 17 H LYS 2 H LYS 2 12.257 0.145 4.018 18 HA LYS 2 HA LYS 2 10.172 -0.363 4.343 19 1HB LYS 2 1HB LYS 2 10.302 0.868 6.378 20 2HB LYS 2 2HB LYS 2 9.962 2.392 5.557 21 1HG LYS 2 1HG LYS 2 8.030 1.385 6.835 22 2HG LYS 2 2HG LYS 2 7.683 1.797 5.158 23 1HD LYS 2 1HD LYS 2 7.923 -0.575 4.486 24 2HD LYS 2 2HD LYS 2 8.340 -1.017 6.147 25 1HE LYS 2 1HE LYS 2 5.738 0.359 5.392 26 2HE LYS 2 2HE LYS 2 5.932 -1.385 5.304 27 1HZ LYS 2 1HZ LYS 2 6.267 0.164 7.809 28 2HZ LYS 2 2HZ LYS 2 4.989 -0.796 7.321 29 3HZ LYS 2 3HZ LYS 2 6.447 -1.465 7.598 30 QB LYS 2 QB LYS 2 10.132 1.630 5.967 31 QG LYS 2 QG LYS 2 7.856 1.591 5.996 32 QD LYS 2 QD LYS 2 8.131 -0.796 5.316 33 QE LYS 2 QE LYS 2 5.835 -0.513 5.348 34 QZ LYS 2 QZ LYS 2 5.901 -0.699 7.576 35 H ASP 3 H ASP 3 9.748 -0.746 2.198 36 HA ASP 3 HA ASP 3 8.820 1.277 0.417 37 1HB ASP 3 1HB ASP 3 7.921 -1.574 0.046 38 2HB ASP 3 2HB ASP 3 8.480 -0.418 -1.141 39 QB ASP 3 QB ASP 3 8.200 -0.996 -0.547 40 H TYR 4 H TYR 4 6.664 1.715 -0.199 41 HA TYR 4 HA TYR 4 4.411 0.279 1.176 42 1HB TYR 4 1HB TYR 4 4.491 3.124 0.128 43 2HB TYR 4 2HB TYR 4 3.099 2.306 0.767 44 HD1 TYR 4 1HD TYR 4 4.409 1.093 3.333 45 HD2 TYR 4 2HD TYR 4 4.652 4.973 1.460 46 HE1 TYR 4 1HE TYR 4 4.957 2.155 5.518 47 HE2 TYR 4 2HE TYR 4 5.200 6.005 3.621 48 HH TYR 4 HH TYR 4 4.913 5.472 6.077 49 QB TYR 4 QB TYR 4 3.795 2.715 0.447 50 QG TYR 4 QD TYR 4 4.530 3.033 2.397 51 QZ TYR 4 QE TYR 4 5.078 4.080 4.569 52 QR TYR 4 QR TYR 4 4.804 3.556 3.483 53 H TYR 5 H TYR 5 4.635 -1.310 -0.493 54 HA TYR 5 HA TYR 5 3.176 -0.627 -2.931 55 1HB TYR 5 1HB TYR 5 6.004 -0.653 -3.091 56 2HB TYR 5 2HB TYR 5 5.536 -2.219 -3.701 57 HD1 TYR 5 1HD TYR 5 4.766 1.446 -4.060 58 HD2 TYR 5 2HD TYR 5 4.947 -2.396 -6.019 59 HE1 TYR 5 1HE TYR 5 4.291 2.534 -6.194 60 HE2 TYR 5 2HE TYR 5 4.461 -1.312 -8.171 61 HH TYR 5 HH TYR 5 3.970 0.709 -9.267 62 QB TYR 5 QB TYR 5 5.770 -1.436 -3.396 63 QG TYR 5 QD TYR 5 4.857 -0.475 -5.040 64 QZ TYR 5 QE TYR 5 4.376 0.611 -7.182 65 QR TYR 5 QR TYR 5 4.616 0.068 -6.111 66 H GLN 6 H GLN 6 5.309 -3.261 -1.748 67 HA GLN 6 HA GLN 6 3.578 -5.403 -2.294 68 1HB GLN 6 1HB GLN 6 5.253 -5.892 0.000 69 2HB GLN 6 2HB GLN 6 5.300 -6.608 -1.557 70 1HG GLN 6 1HG GLN 6 6.848 -4.774 -2.326 71 2HG GLN 6 2HG GLN 6 6.703 -4.008 -0.731 72 1HE2 GLN 6 2HE2 GLN 6 9.001 -7.431 -1.108 73 2HE2 GLN 6 1HE2 GLN 6 7.896 -6.945 -2.393 74 QB GLN 6 QB GLN 6 5.276 -6.250 -0.779 75 QG GLN 6 QG GLN 6 6.776 -4.391 -1.529 76 QE2 GLN 6 QE2 GLN 6 8.448 -7.188 -1.750 77 H THR 7 H THR 7 3.950 -3.509 0.566 78 HA THR 7 HA THR 7 2.231 -4.940 2.300 79 HB THR 7 HB THR 7 2.888 -1.983 2.126 80 HG1 THR 7 1HG THR 7 3.876 -3.383 4.229 81 1HG2 THR 7 1HG2 THR 7 1.577 -3.455 4.427 82 2HG2 THR 7 2HG2 THR 7 2.257 -1.797 4.468 83 3HG2 THR 7 3HG2 THR 7 0.870 -2.148 3.444 84 QG2 THR 7 QG2 THR 7 1.568 -2.467 4.113 85 H LEU 8 H LEU 8 1.374 -2.830 -0.327 86 HA LEU 8 HA LEU 8 -1.519 -2.988 0.326 87 1HB LEU 8 1HB LEU 8 -0.330 -0.882 -0.454 88 2HB LEU 8 2HB LEU 8 -0.237 -1.604 -2.047 89 HG LEU 8 HG LEU 8 -2.009 0.091 -1.700 90 1HD1 LEU 8 2HD1 LEU 8 -2.230 -1.760 -3.425 91 2HD1 LEU 8 3HD1 LEU 8 -3.449 -2.469 -2.336 92 3HD1 LEU 8 1HD1 LEU 8 -3.678 -0.856 -2.987 93 1HD2 LEU 8 2HD2 LEU 8 -2.616 -0.483 0.647 94 2HD2 LEU 8 3HD2 LEU 8 -3.997 -0.273 -0.440 95 3HD2 LEU 8 1HD2 LEU 8 -3.493 -1.909 0.031 96 QB LEU 8 QB LEU 8 -0.283 -1.243 -1.251 97 QD1 LEU 8 QD1 LEU 8 -3.119 -1.695 -2.916 98 QD2 LEU 8 QD2 LEU 8 -3.369 -0.888 0.079 99 QQD LEU 8 QQD LEU 8 -3.244 -1.292 -1.418 100 H GLY 9 H GLY 9 0.947 -4.663 -1.334 101 1HA GLY 9 1HA GLY 9 0.226 -6.932 -1.800 102 2HA GLY 9 2HA GLY 9 -1.079 -6.265 -2.794 103 QA GLY 9 QA GLY 9 -0.427 -6.599 -2.297 104 H LEU 10 H LEU 10 1.747 -4.455 -3.331 105 HA LEU 10 HA LEU 10 1.721 -5.635 -5.995 106 1HB LEU 10 1HB LEU 10 2.492 -2.888 -5.014 107 2HB LEU 10 2HB LEU 10 2.767 -3.422 -6.644 108 HG LEU 10 HG LEU 10 0.774 -2.414 -6.973 109 1HD1 LEU 10 2HD1 LEU 10 0.430 -4.833 -7.597 110 2HD1 LEU 10 3HD1 LEU 10 -0.322 -5.095 -6.009 111 3HD1 LEU 10 1HD1 LEU 10 -1.079 -3.989 -7.129 112 1HD2 LEU 10 3HD2 LEU 10 0.431 -1.796 -4.639 113 2HD2 LEU 10 1HD2 LEU 10 -1.070 -2.362 -5.429 114 3HD2 LEU 10 2HD2 LEU 10 -0.219 -3.427 -4.301 115 QB LEU 10 QB LEU 10 2.630 -3.155 -5.829 116 QD1 LEU 10 QD1 LEU 10 -0.324 -4.639 -6.912 117 QD2 LEU 10 QD2 LEU 10 -0.286 -2.528 -4.790 118 QQD LEU 10 QQD LEU 10 -0.305 -3.583 -5.851 119 H ALA 11 H ALA 11 3.841 -4.923 -7.322 120 HA ALA 11 HA ALA 11 6.291 -5.874 -6.056 121 1HB ALA 11 3HB ALA 11 4.810 -7.268 -8.343 122 2HB ALA 11 1HB ALA 11 6.513 -7.529 -7.992 123 3HB ALA 11 2HB ALA 11 5.280 -7.972 -6.792 124 QB ALA 11 QB ALA 11 5.534 -7.590 -7.709 125 H ARG 12 H ARG 12 7.974 -5.844 -7.938 126 HA ARG 12 HA ARG 12 8.024 -3.011 -8.531 127 1HB ARG 12 1HB ARG 12 10.090 -5.208 -8.952 128 2HB ARG 12 2HB ARG 12 10.367 -3.494 -9.232 129 1HG ARG 12 1HG ARG 12 9.665 -4.804 -6.563 130 2HG ARG 12 2HG ARG 12 11.211 -4.124 -7.042 131 1HD ARG 12 1HD ARG 12 8.626 -2.599 -6.528 132 2HD ARG 12 2HD ARG 12 10.106 -2.580 -5.569 133 HE ARG 12 HE ARG 12 10.919 -1.821 -8.092 134 1HH1 ARG 12 2HH2 ARG 12 8.851 -0.426 -5.582 135 2HH1 ARG 12 1HH2 ARG 12 9.146 1.211 -6.089 136 1HH2 ARG 12 2HH1 ARG 12 11.105 0.261 -8.903 137 2HH2 ARG 12 1HH1 ARG 12 10.579 1.611 -7.956 138 QB ARG 12 QB ARG 12 10.228 -4.351 -9.092 139 QG ARG 12 QG ARG 12 10.438 -4.464 -6.802 140 QD ARG 12 QD ARG 12 9.366 -2.590 -6.048 141 QH1 ARG 12 QH2 ARG 12 8.998 0.392 -5.836 142 QH2 ARG 12 QH1 ARG 12 10.842 0.936 -8.430 143 H GLY 13 H GLY 13 6.539 -2.608 -10.010 144 1HA GLY 13 1HA GLY 13 7.021 -2.108 -12.559 145 2HA GLY 13 2HA GLY 13 6.604 -3.826 -12.698 146 QA GLY 13 QA GLY 13 6.813 -2.967 -12.629 147 H ALA 14 H ALA 14 4.705 -3.504 -10.292 148 HA ALA 14 HA ALA 14 2.320 -3.069 -11.742 149 1HB ALA 14 3HB ALA 14 2.858 -3.015 -8.754 150 2HB ALA 14 1HB ALA 14 1.255 -3.172 -9.492 151 3HB ALA 14 2HB ALA 14 2.453 -4.459 -9.712 152 QB ALA 14 QB ALA 14 2.189 -3.548 -9.319 153 H SER 15 H SER 15 0.665 -1.425 -11.293 154 HA SER 15 HA SER 15 1.785 1.313 -10.908 155 1HB SER 15 1HB SER 15 0.454 1.886 -12.957 156 2HB SER 15 2HB SER 15 1.713 0.696 -13.302 157 HG SER 15 HG SER 15 -0.594 0.355 -14.077 158 QB SER 15 QB SER 15 1.084 1.291 -13.129 159 H ASP 16 H ASP 16 -0.160 2.851 -11.343 160 HA ASP 16 HA ASP 16 -1.540 2.933 -8.939 161 1HB ASP 16 1HB ASP 16 -2.767 4.815 -9.957 162 2HB ASP 16 2HB ASP 16 -1.025 4.934 -10.215 163 QB ASP 16 QB ASP 16 -1.896 4.874 -10.086 164 H GLU 17 H GLU 17 -2.349 1.598 -12.103 165 HA GLU 17 HA GLU 17 -5.176 1.217 -11.597 166 1HB GLU 17 1HB GLU 17 -3.771 1.369 -13.846 167 2HB GLU 17 2HB GLU 17 -3.514 -0.353 -13.591 168 1HG GLU 17 1HG GLU 17 -5.372 -0.273 -14.993 169 2HG GLU 17 2HG GLU 17 -6.127 -0.491 -13.413 170 QB GLU 17 QB GLU 17 -3.643 0.508 -13.719 171 QG GLU 17 QG GLU 17 -5.750 -0.382 -14.203 172 H GLU 18 H GLU 18 -2.326 -0.507 -10.632 173 HA GLU 18 HA GLU 18 -3.733 -3.068 -10.111 174 1HB GLU 18 1HB GLU 18 -1.018 -2.178 -10.614 175 2HB GLU 18 2HB GLU 18 -1.055 -2.762 -8.996 176 1HG GLU 18 1HG GLU 18 -2.154 -4.390 -11.323 177 2HG GLU 18 2HG GLU 18 -0.463 -4.404 -10.850 178 QB GLU 18 QB GLU 18 -1.037 -2.470 -9.805 179 QG GLU 18 QG GLU 18 -1.309 -4.397 -11.087 180 H ILE 19 H ILE 19 -2.340 -0.145 -8.603 181 HA ILE 19 HA ILE 19 -2.505 -0.845 -5.891 182 HB ILE 19 HB ILE 19 -2.361 1.687 -7.449 183 1HG1 ILE 19 1HG1 ILE 19 -0.562 0.556 -5.278 184 2HG1 ILE 19 2HG1 ILE 19 -0.447 0.026 -6.951 185 1HG2 ILE 19 2HG2 ILE 19 -3.811 2.372 -5.531 186 2HG2 ILE 19 3HG2 ILE 19 -2.623 1.707 -4.419 187 3HG2 ILE 19 1HG2 ILE 19 -2.230 3.076 -5.502 188 1HD1 ILE 19 3HD1 ILE 19 0.056 2.310 -7.692 189 2HD1 ILE 19 1HD1 ILE 19 -0.016 2.879 -6.010 190 3HD1 ILE 19 2HD1 ILE 19 1.222 1.701 -6.519 191 QG1 ILE 19 QG1 ILE 19 -0.504 0.291 -6.115 192 QG2 ILE 19 QG2 ILE 19 -2.888 2.385 -5.151 193 QD1 ILE 19 QD1 ILE 19 0.420 2.297 -6.740 194 H LYS 20 H LYS 20 -4.865 1.168 -7.754 195 HA LYS 20 HA LYS 20 -6.656 1.160 -5.495 196 1HB LYS 20 1HB LYS 20 -7.195 1.889 -8.395 197 2HB LYS 20 2HB LYS 20 -8.385 1.998 -7.096 198 1HG LYS 20 1HG LYS 20 -7.623 4.135 -7.144 199 2HG LYS 20 2HG LYS 20 -6.667 3.473 -5.827 200 1HD LYS 20 1HD LYS 20 -4.717 3.247 -7.344 201 2HD LYS 20 2HD LYS 20 -5.685 3.768 -8.709 202 1HE LYS 20 1HE LYS 20 -4.845 5.437 -6.297 203 2HE LYS 20 2HE LYS 20 -4.255 5.565 -7.966 204 1HZ LYS 20 2HZ LYS 20 -6.615 6.071 -8.568 205 2HZ LYS 20 3HZ LYS 20 -6.916 6.273 -6.957 206 3HZ LYS 20 1HZ LYS 20 -5.837 7.245 -7.729 207 QB LYS 20 QB LYS 20 -7.790 1.943 -7.745 208 QG LYS 20 QG LYS 20 -7.145 3.804 -6.486 209 QD LYS 20 QD LYS 20 -5.201 3.508 -8.026 210 QE LYS 20 QE LYS 20 -4.550 5.501 -7.132 211 QZ LYS 20 QZ LYS 20 -6.456 6.530 -7.751 212 H ARG 21 H ARG 21 -6.205 -1.184 -8.034 213 HA ARG 21 HA ARG 21 -8.684 -2.634 -7.593 214 1HB ARG 21 1HB ARG 21 -7.191 -2.637 -9.629 215 2HB ARG 21 2HB ARG 21 -6.004 -3.562 -8.763 216 1HG ARG 21 1HG ARG 21 -8.866 -4.530 -9.192 217 2HG ARG 21 2HG ARG 21 -7.559 -4.791 -10.341 218 1HD ARG 21 1HD ARG 21 -6.240 -5.870 -8.447 219 2HD ARG 21 2HD ARG 21 -7.750 -5.914 -7.524 220 HE ARG 21 HE ARG 21 -6.999 -7.362 -9.977 221 1HH1 ARG 21 2HH2 ARG 21 -9.712 -6.678 -7.755 222 2HH1 ARG 21 1HH2 ARG 21 -10.786 -7.761 -8.541 223 1HH2 ARG 21 2HH1 ARG 21 -8.350 -9.003 -10.831 224 2HH2 ARG 21 1HH1 ARG 21 -10.002 -9.125 -10.308 225 QB ARG 21 QB ARG 21 -6.598 -3.100 -9.196 226 QG ARG 21 QG ARG 21 -8.212 -4.661 -9.766 227 QD ARG 21 QD ARG 21 -6.995 -5.892 -7.986 228 QH1 ARG 21 QH2 ARG 21 -10.249 -7.219 -8.148 229 QH2 ARG 21 QH1 ARG 21 -9.176 -9.064 -10.570 230 H ALA 22 H ALA 22 -5.305 -3.113 -6.634 231 HA ALA 22 HA ALA 22 -5.664 -5.305 -4.917 232 1HB ALA 22 3HB ALA 22 -3.479 -4.655 -5.879 233 2HB ALA 22 1HB ALA 22 -3.480 -3.185 -4.895 234 3HB ALA 22 2HB ALA 22 -3.388 -4.777 -4.109 235 QB ALA 22 QB ALA 22 -3.449 -4.206 -4.961 236 H TYR 23 H TYR 23 -5.954 -1.811 -4.211 237 HA TYR 23 HA TYR 23 -5.788 -1.522 -1.618 238 1HB TYR 23 1HB TYR 23 -6.975 -0.280 -3.855 239 2HB TYR 23 2HB TYR 23 -8.353 -0.511 -2.857 240 HD1 TYR 23 2HD TYR 23 -4.887 0.912 -2.851 241 HD2 TYR 23 1HD TYR 23 -8.972 1.249 -1.473 242 HE1 TYR 23 2HE TYR 23 -4.395 3.173 -1.970 243 HE2 TYR 23 1HE TYR 23 -8.500 3.553 -0.695 244 HH TYR 23 HH TYR 23 -5.273 4.863 -0.478 245 QB TYR 23 QB TYR 23 -7.664 -0.395 -3.356 246 QG TYR 23 QD TYR 23 -6.930 1.080 -2.162 247 QZ TYR 23 QE TYR 23 -6.447 3.363 -1.333 248 QR TYR 23 QR TYR 23 -6.688 2.222 -1.747 249 H ARG 24 H ARG 24 -8.907 -2.568 -3.041 250 HA ARG 24 HA ARG 24 -10.019 -3.190 -0.441 251 1HB ARG 24 1HB ARG 24 -11.006 -4.161 -3.158 252 2HB ARG 24 2HB ARG 24 -11.930 -4.070 -1.658 253 1HG ARG 24 1HG ARG 24 -10.940 -1.751 -3.360 254 2HG ARG 24 2HG ARG 24 -12.589 -2.309 -3.145 255 1HD ARG 24 1HD ARG 24 -11.774 -1.777 -0.523 256 2HD ARG 24 2HD ARG 24 -10.969 -0.506 -1.441 257 HE ARG 24 HE ARG 24 -13.801 -0.933 -0.923 258 1HH1 ARG 24 2HH2 ARG 24 -11.617 0.862 -3.140 259 2HH1 ARG 24 1HH2 ARG 24 -12.663 2.239 -3.212 260 1HH2 ARG 24 2HH1 ARG 24 -15.189 0.846 -1.168 261 2HH2 ARG 24 1HH1 ARG 24 -14.767 2.185 -2.180 262 QB ARG 24 QB ARG 24 -11.468 -4.116 -2.408 263 QG ARG 24 QG ARG 24 -11.764 -2.030 -3.253 264 QD ARG 24 QD ARG 24 -11.371 -1.142 -0.982 265 QH1 ARG 24 QH2 ARG 24 -12.140 1.550 -3.176 266 QH2 ARG 24 QH1 ARG 24 -14.978 1.516 -1.674 267 H ARG 25 H ARG 25 -8.350 -5.130 -2.943 268 HA ARG 25 HA ARG 25 -9.162 -7.627 -1.792 269 1HB ARG 25 1HB ARG 25 -7.980 -8.708 -3.368 270 2HB ARG 25 2HB ARG 25 -8.102 -7.154 -4.150 271 1HG ARG 25 1HG ARG 25 -5.927 -7.631 -4.574 272 2HG ARG 25 2HG ARG 25 -5.703 -6.745 -3.077 273 1HD ARG 25 1HD ARG 25 -5.880 -9.149 -1.982 274 2HD ARG 25 2HD ARG 25 -5.479 -9.697 -3.608 275 HE ARG 25 HE ARG 25 -3.743 -8.478 -1.633 276 1HH1 ARG 25 2HH2 ARG 25 -3.999 -8.136 -5.193 277 2HH1 ARG 25 1HH2 ARG 25 -2.315 -8.241 -5.409 278 1HH2 ARG 25 2HH1 ARG 25 -1.579 -8.701 -1.968 279 2HH2 ARG 25 1HH1 ARG 25 -0.877 -8.610 -3.551 280 QB ARG 25 QB ARG 25 -8.041 -7.931 -3.759 281 QG ARG 25 QG ARG 25 -5.815 -7.188 -3.825 282 QD ARG 25 QD ARG 25 -5.679 -9.423 -2.795 283 QH1 ARG 25 QH2 ARG 25 -3.157 -8.188 -5.301 284 QH2 ARG 25 QH1 ARG 25 -1.228 -8.655 -2.759 285 H GLN 26 H GLN 26 -6.283 -5.432 -1.084 286 HA GLN 26 HA GLN 26 -5.044 -7.395 0.465 287 1HB GLN 26 1HB GLN 26 -4.149 -5.295 -0.782 288 2HB GLN 26 2HB GLN 26 -4.731 -4.375 0.611 289 1HG GLN 26 1HG GLN 26 -2.541 -4.780 1.048 290 2HG GLN 26 2HG GLN 26 -3.417 -5.927 2.070 291 1HE2 GLN 26 2HE2 GLN 26 -0.400 -7.602 0.586 292 2HE2 GLN 26 1HE2 GLN 26 -0.639 -6.056 1.373 293 QB GLN 26 QB GLN 26 -4.440 -4.835 -0.086 294 QG GLN 26 QG GLN 26 -2.979 -5.354 1.559 295 QE2 GLN 26 QE2 GLN 26 -0.520 -6.829 0.979 296 H ALA 27 H ALA 27 -7.173 -4.568 1.248 297 HA ALA 27 HA ALA 27 -7.172 -4.782 4.051 298 1HB ALA 27 3HB ALA 27 -9.500 -4.159 2.179 299 2HB ALA 27 1HB ALA 27 -9.454 -3.853 3.930 300 3HB ALA 27 2HB ALA 27 -8.334 -2.996 2.852 301 QB ALA 27 QB ALA 27 -9.096 -3.669 2.987 302 H LEU 28 H LEU 28 -9.391 -6.393 1.749 303 HA LEU 28 HA LEU 28 -10.626 -8.126 3.560 304 1HB LEU 28 1HB LEU 28 -11.323 -7.469 1.280 305 2HB LEU 28 2HB LEU 28 -10.113 -8.532 0.580 306 HG LEU 28 HG LEU 28 -12.065 -9.699 2.559 307 1HD1 LEU 28 2HD1 LEU 28 -12.801 -8.961 -0.301 308 2HD1 LEU 28 3HD1 LEU 28 -13.766 -10.007 0.765 309 3HD1 LEU 28 1HD1 LEU 28 -13.523 -8.309 1.184 310 1HD2 LEU 28 2HD2 LEU 28 -10.901 -10.711 -0.082 311 2HD2 LEU 28 3HD2 LEU 28 -10.383 -11.199 1.546 312 3HD2 LEU 28 1HD2 LEU 28 -11.989 -11.632 0.963 313 QB LEU 28 QB LEU 28 -10.718 -8.001 0.930 314 QD1 LEU 28 QD1 LEU 28 -13.363 -9.092 0.549 315 QD2 LEU 28 QD2 LEU 28 -11.091 -11.180 0.809 316 QQD LEU 28 QQD LEU 28 -12.227 -10.136 0.679 317 H ARG 29 H ARG 29 -7.499 -8.565 1.883 318 HA ARG 29 HA ARG 29 -7.135 -11.317 2.477 319 1HB ARG 29 1HB ARG 29 -5.909 -9.815 0.753 320 2HB ARG 29 2HB ARG 29 -4.926 -9.248 2.108 321 1HG ARG 29 1HG ARG 29 -4.167 -11.584 2.493 322 2HG ARG 29 2HG ARG 29 -5.221 -12.108 1.166 323 1HD ARG 29 1HD ARG 29 -3.868 -10.823 -0.438 324 2HD ARG 29 2HD ARG 29 -2.997 -10.044 0.884 325 HE ARG 29 HE ARG 29 -1.571 -11.727 0.984 326 1HH1 ARG 29 2HH2 ARG 29 -4.457 -13.060 -0.615 327 2HH1 ARG 29 1HH2 ARG 29 -3.813 -14.660 -0.758 328 1HH2 ARG 29 2HH1 ARG 29 -0.737 -13.827 0.832 329 2HH2 ARG 29 1HH1 ARG 29 -1.557 -15.066 -0.074 330 QB ARG 29 QB ARG 29 -5.418 -9.532 1.430 331 QG ARG 29 QG ARG 29 -4.694 -11.846 1.829 332 QD ARG 29 QD ARG 29 -3.433 -10.434 0.223 333 QH1 ARG 29 QH2 ARG 29 -4.135 -13.860 -0.687 334 QH2 ARG 29 QH1 ARG 29 -1.147 -14.446 0.379 335 H TYR 30 H TYR 30 -6.828 -8.539 4.602 336 HA TYR 30 HA TYR 30 -5.375 -10.290 6.575 337 1HB TYR 30 1HB TYR 30 -5.460 -7.303 6.240 338 2HB TYR 30 2HB TYR 30 -4.880 -8.067 7.691 339 HD1 TYR 30 2HD TYR 30 -2.787 -9.400 7.735 340 HD2 TYR 30 1HD TYR 30 -3.987 -7.210 4.234 341 HE1 TYR 30 2HE TYR 30 -0.418 -9.215 7.031 342 HE2 TYR 30 1HE TYR 30 -1.622 -6.921 3.579 343 HH TYR 30 HH TYR 30 0.609 -7.423 4.080 344 QB TYR 30 QB TYR 30 -5.170 -7.685 6.966 345 QG TYR 30 QD TYR 30 -3.387 -8.305 5.984 346 QZ TYR 30 QE TYR 30 -1.020 -8.068 5.305 347 QR TYR 30 QR TYR 30 -2.204 -8.187 5.645 348 H HIS 31 H HIS 31 -8.136 -8.200 6.030 349 HA HIS 31 HA HIS 31 -9.052 -7.397 8.362 350 1HB HIS 31 1HB HIS 31 -9.991 -6.939 6.199 351 2HB HIS 31 2HB HIS 31 -10.534 -8.602 6.007 352 HD1 HIS 31 1HD HIS 31 -11.501 -6.340 9.108 353 HD2 HIS 31 2HD HIS 31 -12.862 -7.760 5.369 354 HE1 HIS 31 1HE HIS 31 -13.949 -5.752 8.935 355 QB HIS 31 QB HIS 31 -10.262 -7.770 6.103 356 HA PRO 32 HA PRO 32 -9.636 -11.199 10.740 357 1HB PRO 32 1HB PRO 32 -10.735 -10.146 13.039 358 2HB PRO 32 2HB PRO 32 -9.003 -10.041 12.601 359 1HG PRO 32 1HG PRO 32 -11.153 -7.944 12.166 360 2HG PRO 32 2HG PRO 32 -9.503 -7.731 12.841 361 1HD PRO 32 1HD PRO 32 -10.109 -7.204 10.261 362 2HD PRO 32 2HD PRO 32 -8.524 -7.909 10.719 363 QB PRO 32 QB PRO 32 -9.869 -10.093 12.820 364 QG PRO 32 QG PRO 32 -10.328 -7.837 12.503 365 QD PRO 32 QD PRO 32 -9.317 -7.557 10.490 366 H ASP 33 H ASP 33 -12.152 -9.315 9.417 367 HA ASP 33 HA ASP 33 -14.400 -10.853 10.413 368 1HB ASP 33 1HB ASP 33 -14.594 -8.528 9.587 369 2HB ASP 33 2HB ASP 33 -14.059 -9.074 7.996 370 QB ASP 33 QB ASP 33 -14.326 -8.801 8.792 371 H LYS 34 H LYS 34 -12.465 -10.649 7.435 372 HA LYS 34 HA LYS 34 -13.891 -13.020 6.320 373 1HB LYS 34 1HB LYS 34 -14.739 -11.025 5.367 374 2HB LYS 34 2HB LYS 34 -13.139 -10.326 5.183 375 1HG LYS 34 1HG LYS 34 -14.005 -10.907 3.026 376 2HG LYS 34 2HG LYS 34 -12.582 -11.887 3.401 377 1HD LYS 34 1HD LYS 34 -14.304 -13.709 4.137 378 2HD LYS 34 2HD LYS 34 -15.515 -12.718 3.316 379 1HE LYS 34 1HE LYS 34 -14.418 -12.957 1.195 380 2HE LYS 34 2HE LYS 34 -12.898 -13.455 1.959 381 1HZ LYS 34 2HZ LYS 34 -13.941 -15.498 2.642 382 2HZ LYS 34 3HZ LYS 34 -15.323 -15.117 1.815 383 3HZ LYS 34 1HZ LYS 34 -13.873 -15.340 1.025 384 QB LYS 34 QB LYS 34 -13.939 -10.675 5.275 385 QG LYS 34 QG LYS 34 -13.294 -11.397 3.214 386 QD LYS 34 QD LYS 34 -14.909 -13.213 3.726 387 QE LYS 34 QE LYS 34 -13.658 -13.206 1.577 388 QZ LYS 34 QZ LYS 34 -14.379 -15.318 1.827 389 H ASN 35 H ASN 35 -10.657 -11.632 6.820 390 HA ASN 35 HA ASN 35 -9.487 -13.931 5.385 391 1HB ASN 35 1HB ASN 35 -8.180 -11.746 5.605 392 2HB ASN 35 2HB ASN 35 -8.037 -12.124 7.334 393 1HD2 ASN 35 2HD2 ASN 35 -5.101 -13.962 6.530 394 2HD2 ASN 35 1HD2 ASN 35 -5.661 -12.477 7.199 395 QB ASN 35 QB ASN 35 -8.108 -11.935 6.470 396 QD2 ASN 35 QD2 ASN 35 -5.381 -13.219 6.865 397 H LYS 36 H LYS 36 -10.378 -12.798 8.594 398 HA LYS 36 HA LYS 36 -10.395 -13.723 10.622 399 1HB LYS 36 1HB LYS 36 -11.477 -15.810 8.873 400 2HB LYS 36 2HB LYS 36 -10.725 -16.537 10.274 401 1HG LYS 36 1HG LYS 36 -12.678 -14.232 10.405 402 2HG LYS 36 2HG LYS 36 -13.169 -15.919 10.539 403 1HD LYS 36 1HD LYS 36 -11.070 -14.745 12.425 404 2HD LYS 36 2HD LYS 36 -12.781 -14.572 12.757 405 1HE LYS 36 1HE LYS 36 -11.865 -17.330 12.025 406 2HE LYS 36 2HE LYS 36 -11.242 -16.701 13.544 407 1HZ LYS 36 3HZ LYS 36 -14.120 -16.723 12.885 408 2HZ LYS 36 1HZ LYS 36 -13.359 -17.889 13.796 409 3HZ LYS 36 2HZ LYS 36 -13.423 -16.353 14.332 410 QB LYS 36 QB LYS 36 -11.101 -16.173 9.573 411 QG LYS 36 QG LYS 36 -12.923 -15.076 10.472 412 QD LYS 36 QD LYS 36 -11.925 -14.659 12.591 413 QE LYS 36 QE LYS 36 -11.553 -17.016 12.785 414 QZ LYS 36 QZ LYS 36 -13.634 -16.989 13.671 415 H GLU 37 H GLU 37 -8.097 -12.958 9.957 416 HA GLU 37 HA GLU 37 -5.916 -14.762 10.455 417 1HB GLU 37 1HB GLU 37 -6.288 -12.258 9.348 418 2HB GLU 37 2HB GLU 37 -5.477 -11.934 10.877 419 1HG GLU 37 1HG GLU 37 -3.839 -13.852 10.203 420 2HG GLU 37 2HG GLU 37 -4.703 -13.991 8.738 421 QB GLU 37 QB GLU 37 -5.883 -12.096 10.112 422 QG GLU 37 QG GLU 37 -4.271 -13.922 9.470 423 HA PRO 38 HA PRO 38 -6.187 -13.821 15.071 424 1HB PRO 38 1HB PRO 38 -3.948 -12.683 15.950 425 2HB PRO 38 2HB PRO 38 -3.980 -14.377 15.402 426 1HG PRO 38 1HG PRO 38 -3.034 -11.946 13.879 427 2HG PRO 38 2HG PRO 38 -2.258 -13.548 14.021 428 1HD PRO 38 1HD PRO 38 -3.854 -12.710 11.964 429 2HD PRO 38 2HD PRO 38 -3.640 -14.448 12.343 430 QB PRO 38 QB PRO 38 -3.964 -13.530 15.676 431 QG PRO 38 QG PRO 38 -2.646 -12.747 13.950 432 QD PRO 38 QD PRO 38 -3.747 -13.579 12.154 433 H GLY 39 H GLY 39 -5.149 -11.240 16.141 434 1HA GLY 39 1HA GLY 39 -6.999 -9.263 15.369 435 2HA GLY 39 2HA GLY 39 -5.364 -8.931 15.973 436 QA GLY 39 QA GLY 39 -6.182 -9.097 15.671 437 H ALA 40 H ALA 40 -3.740 -9.890 13.979 438 HA ALA 40 HA ALA 40 -2.653 -9.058 12.063 439 1HB ALA 40 2HB ALA 40 -5.434 -9.254 10.921 440 2HB ALA 40 3HB ALA 40 -3.977 -8.788 10.011 441 3HB ALA 40 1HB ALA 40 -4.053 -10.360 10.783 442 QB ALA 40 QB ALA 40 -4.488 -9.467 10.572 443 H GLU 41 H GLU 41 -3.472 -7.416 14.345 444 HA GLU 41 HA GLU 41 -4.982 -5.171 13.559 445 1HB GLU 41 1HB GLU 41 -4.660 -6.130 15.870 446 2HB GLU 41 2HB GLU 41 -3.018 -5.519 15.859 447 1HG GLU 41 1HG GLU 41 -4.056 -3.932 17.115 448 2HG GLU 41 2HG GLU 41 -4.086 -3.157 15.543 449 QB GLU 41 QB GLU 41 -3.839 -5.825 15.865 450 QG GLU 41 QG GLU 41 -4.071 -3.544 16.329 451 H GLU 42 H GLU 42 -1.465 -5.504 14.044 452 HA GLU 42 HA GLU 42 -0.971 -2.799 12.992 453 1HB GLU 42 1HB GLU 42 0.520 -3.898 14.707 454 2HB GLU 42 2HB GLU 42 1.058 -5.035 13.456 455 1HG GLU 42 1HG GLU 42 2.668 -3.207 13.698 456 2HG GLU 42 2HG GLU 42 1.932 -3.126 12.110 457 QB GLU 42 QB GLU 42 0.789 -4.466 14.082 458 QG GLU 42 QG GLU 42 2.300 -3.166 12.904 459 H LYS 43 H LYS 43 -0.999 -6.124 11.853 460 HA LYS 43 HA LYS 43 0.263 -5.826 9.389 461 1HB LYS 43 1HB LYS 43 -1.375 -7.801 10.849 462 2HB LYS 43 2HB LYS 43 -1.709 -7.844 9.167 463 1HG LYS 43 1HG LYS 43 0.063 -9.323 9.261 464 2HG LYS 43 2HG LYS 43 0.956 -7.849 8.917 465 1HD LYS 43 1HD LYS 43 2.157 -8.792 10.726 466 2HD LYS 43 2HD LYS 43 1.126 -7.618 11.531 467 1HE LYS 43 1HE LYS 43 0.935 -9.597 12.825 468 2HE LYS 43 2HE LYS 43 -0.556 -9.570 11.863 469 1HZ LYS 43 2HZ LYS 43 0.663 -11.099 10.291 470 2HZ LYS 43 3HZ LYS 43 1.886 -11.151 11.384 471 3HZ LYS 43 1HZ LYS 43 0.408 -11.747 11.780 472 QB LYS 43 QB LYS 43 -1.542 -7.822 10.008 473 QG LYS 43 QG LYS 43 0.510 -8.586 9.089 474 QD LYS 43 QD LYS 43 1.641 -8.205 11.128 475 QE LYS 43 QE LYS 43 0.190 -9.584 12.344 476 QZ LYS 43 QZ LYS 43 0.985 -11.332 11.151 477 H PHE 44 H PHE 44 -3.054 -5.124 10.392 478 HA PHE 44 HA PHE 44 -3.979 -4.569 7.706 479 1HB PHE 44 1HB PHE 44 -5.364 -5.546 9.536 480 2HB PHE 44 2HB PHE 44 -5.218 -4.044 10.431 481 HD1 PHE 44 1HD PHE 44 -6.674 -5.711 7.484 482 HD2 PHE 44 2HD PHE 44 -6.560 -2.068 9.792 483 HE1 PHE 44 1HE PHE 44 -8.792 -4.977 6.424 484 HE2 PHE 44 2HE PHE 44 -8.686 -1.348 8.717 485 1HZ PHE 44 HZ PHE 44 -9.824 -2.813 7.079 486 QB PHE 44 QB PHE 44 -5.291 -4.795 9.984 487 QG PHE 44 QD PHE 44 -6.617 -3.889 8.638 488 QZ PHE 44 QE PHE 44 -8.739 -3.163 7.570 489 QZ PHE 44 QR PHE 44 -8.107 -3.383 7.899 490 H LYS 45 H LYS 45 -3.086 -2.629 10.649 491 HA LYS 45 HA LYS 45 -3.311 -0.099 9.327 492 1HB LYS 45 1HB LYS 45 -1.574 -0.960 11.658 493 2HB LYS 45 2HB LYS 45 -1.654 0.695 11.030 494 1HG LYS 45 1HG LYS 45 -4.223 0.498 11.328 495 2HG LYS 45 2HG LYS 45 -3.867 -0.887 12.360 496 1HD LYS 45 1HD LYS 45 -2.921 1.995 12.728 497 2HD LYS 45 2HD LYS 45 -4.147 1.156 13.654 498 1HE LYS 45 1HE LYS 45 -2.359 1.012 15.089 499 2HE LYS 45 2HE LYS 45 -2.227 -0.543 14.269 500 1HZ LYS 45 2HZ LYS 45 -0.754 1.810 13.267 501 2HZ LYS 45 3HZ LYS 45 -0.178 0.980 14.553 502 3HZ LYS 45 1HZ LYS 45 -0.331 0.220 13.136 503 QB LYS 45 QB LYS 45 -1.614 -0.133 11.344 504 QG LYS 45 QG LYS 45 -4.045 -0.195 11.844 505 QD LYS 45 QD LYS 45 -3.534 1.576 13.191 506 QE LYS 45 QE LYS 45 -2.293 0.235 14.679 507 QZ LYS 45 QZ LYS 45 -0.421 1.003 13.652 508 H GLU 46 H GLU 46 -0.889 -2.605 8.933 509 HA GLU 46 HA GLU 46 1.159 -1.089 7.779 510 1HB GLU 46 1HB GLU 46 0.511 -3.741 8.340 511 2HB GLU 46 2HB GLU 46 0.780 -3.762 6.615 512 1HG GLU 46 1HG GLU 46 2.675 -2.738 8.770 513 2HG GLU 46 2HG GLU 46 2.695 -4.355 8.078 514 QB GLU 46 QB GLU 46 0.646 -3.752 7.477 515 QG GLU 46 QG GLU 46 2.685 -3.547 8.424 516 H ILE 47 H ILE 47 -1.799 -2.733 6.425 517 HA ILE 47 HA ILE 47 -1.490 -2.155 3.706 518 HB ILE 47 HB ILE 47 -4.022 -2.174 5.226 519 1HG1 ILE 47 1HG1 ILE 47 -2.646 -4.592 3.997 520 2HG1 ILE 47 2HG1 ILE 47 -2.653 -4.212 5.728 521 1HG2 ILE 47 1HG2 ILE 47 -4.127 -1.367 2.840 522 2HG2 ILE 47 2HG2 ILE 47 -3.377 -2.879 2.315 523 3HG2 ILE 47 3HG2 ILE 47 -5.001 -2.872 3.035 524 1HD1 ILE 47 3HD1 ILE 47 -5.226 -3.944 5.453 525 2HD1 ILE 47 1HD1 ILE 47 -4.937 -4.951 4.003 526 3HD1 ILE 47 2HD1 ILE 47 -4.460 -5.516 5.636 527 QG1 ILE 47 QG1 ILE 47 -2.649 -4.402 4.863 528 QG2 ILE 47 QG2 ILE 47 -4.168 -2.373 2.730 529 QD1 ILE 47 QD1 ILE 47 -4.875 -4.804 5.031 530 H ALA 48 H ALA 48 -3.074 -0.468 6.459 531 HA ALA 48 HA ALA 48 -4.156 1.688 5.069 532 1HB ALA 48 3HB ALA 48 -4.779 1.014 7.382 533 2HB ALA 48 1HB ALA 48 -3.223 1.660 7.968 534 3HB ALA 48 2HB ALA 48 -4.417 2.744 7.271 535 QB ALA 48 QB ALA 48 -4.140 1.806 7.540 536 H GLU 49 H GLU 49 -0.912 1.259 6.325 537 HA GLU 49 HA GLU 49 -0.052 4.001 6.097 538 1HB GLU 49 1HB GLU 49 0.996 1.774 7.313 539 2HB GLU 49 2HB GLU 49 1.896 1.710 5.807 540 1HG GLU 49 1HG GLU 49 3.251 2.923 7.277 541 2HG GLU 49 2HG GLU 49 2.517 4.175 6.266 542 QB GLU 49 QB GLU 49 1.446 1.742 6.560 543 QG GLU 49 QG GLU 49 2.884 3.549 6.771 544 H ALA 50 H ALA 50 0.108 1.127 3.991 545 HA ALA 50 HA ALA 50 1.395 2.606 1.845 546 1HB ALA 50 3HB ALA 50 1.728 0.177 2.209 547 2HB ALA 50 1HB ALA 50 0.018 -0.111 1.804 548 3HB ALA 50 2HB ALA 50 1.140 0.546 0.581 549 QB ALA 50 QB ALA 50 0.962 0.204 1.531 550 H TYR 51 H TYR 51 -1.902 1.826 2.744 551 HA TYR 51 HA TYR 51 -3.341 2.296 0.360 552 1HB TYR 51 1HB TYR 51 -3.962 1.247 2.659 553 2HB TYR 51 2HB TYR 51 -4.246 2.876 3.205 554 HD1 TYR 51 2HD TYR 51 -6.305 4.073 2.453 555 HD2 TYR 51 1HD TYR 51 -5.463 -0.028 1.385 556 HE1 TYR 51 2HE TYR 51 -8.714 3.637 2.217 557 HE2 TYR 51 1HE TYR 51 -7.865 -0.472 1.121 558 HH TYR 51 HH TYR 51 -10.374 2.028 1.768 559 QB TYR 51 QB TYR 51 -4.104 2.061 2.932 560 QG TYR 51 QD TYR 51 -5.884 2.022 1.919 561 QZ TYR 51 QE TYR 51 -8.289 1.583 1.669 562 QR TYR 51 QR TYR 51 -7.087 1.802 1.794 563 H ASP 52 H ASP 52 -2.325 4.432 3.024 564 HA ASP 52 HA ASP 52 -3.469 6.906 2.239 565 1HB ASP 52 1HB ASP 52 -2.585 6.582 4.444 566 2HB ASP 52 2HB ASP 52 -1.030 6.060 3.838 567 QB ASP 52 QB ASP 52 -1.807 6.321 4.141 568 H VAL 53 H VAL 53 -0.062 5.774 1.836 569 HA VAL 53 HA VAL 53 0.614 7.925 0.147 570 HB VAL 53 HB VAL 53 1.896 5.295 0.933 571 1HG1 VAL 53 3HG1 VAL 53 2.998 7.088 -1.278 572 2HG1 VAL 53 1HG1 VAL 53 3.940 5.884 -0.401 573 3HG1 VAL 53 2HG1 VAL 53 2.614 5.352 -1.420 574 1HG2 VAL 53 3HG2 VAL 53 1.901 7.413 2.247 575 2HG2 VAL 53 1HG2 VAL 53 3.548 6.936 1.762 576 3HG2 VAL 53 2HG2 VAL 53 2.677 8.220 0.883 577 QG1 VAL 53 QG1 VAL 53 3.184 6.108 -1.033 578 QG2 VAL 53 QG2 VAL 53 2.709 7.523 1.630 579 QQG VAL 53 QQG VAL 53 2.946 6.816 0.299 580 H LEU 54 H LEU 54 -0.391 4.586 -0.781 581 HA LEU 54 HA LEU 54 -0.001 5.125 -3.576 582 1HB LEU 54 1HB LEU 54 -1.350 2.867 -2.111 583 2HB LEU 54 2HB LEU 54 -0.875 2.914 -3.798 584 HG LEU 54 HG LEU 54 1.174 3.176 -1.580 585 1HD1 LEU 54 2HD1 LEU 54 0.050 1.058 -1.435 586 2HD1 LEU 54 3HD1 LEU 54 0.357 0.716 -3.154 587 3HD1 LEU 54 1HD1 LEU 54 1.708 0.841 -2.004 588 1HD2 LEU 54 2HD2 LEU 54 1.800 4.055 -3.909 589 2HD2 LEU 54 3HD2 LEU 54 2.836 2.852 -3.190 590 3HD2 LEU 54 1HD2 LEU 54 1.705 2.351 -4.433 591 QB LEU 54 QB LEU 54 -1.112 2.891 -2.954 592 QD1 LEU 54 QD1 LEU 54 0.705 0.871 -2.198 593 QD2 LEU 54 QD2 LEU 54 2.114 3.086 -3.844 594 QQD LEU 54 QQD LEU 54 1.409 1.979 -3.021 595 H SER 55 H SER 55 -1.709 6.986 -1.985 596 HA SER 55 HA SER 55 -3.615 7.275 -4.114 597 1HB SER 55 1HB SER 55 -5.567 7.340 -2.857 598 2HB SER 55 2HB SER 55 -4.709 5.950 -2.265 599 HG SER 55 HG SER 55 -3.880 7.318 -0.535 600 QB SER 55 QB SER 55 -5.138 6.645 -2.561 601 H ASP 56 H ASP 56 -1.800 8.679 -1.299 602 HA ASP 56 HA ASP 56 -2.575 11.386 -1.980 603 1HB ASP 56 1HB ASP 56 -2.060 10.932 0.320 604 2HB ASP 56 2HB ASP 56 -0.435 10.341 -0.097 605 QB ASP 56 QB ASP 56 -1.247 10.636 0.112 606 HA PRO 57 HA PRO 57 0.624 11.241 -5.145 607 1HB PRO 57 1HB PRO 57 -0.091 13.391 -6.696 608 2HB PRO 57 2HB PRO 57 -1.116 11.932 -6.573 609 1HG PRO 57 1HG PRO 57 -1.328 14.495 -4.950 610 2HG PRO 57 2HG PRO 57 -2.610 13.703 -5.927 611 1HD PRO 57 1HD PRO 57 -2.351 13.266 -3.248 612 2HD PRO 57 2HD PRO 57 -2.831 11.958 -4.361 613 QB PRO 57 QB PRO 57 -0.603 12.661 -6.635 614 QG PRO 57 QG PRO 57 -1.969 14.099 -5.438 615 QD PRO 57 QD PRO 57 -2.591 12.612 -3.804 616 H ARG 58 H ARG 58 1.037 12.912 -2.449 617 HA ARG 58 HA ARG 58 3.292 14.527 -3.625 618 1HB ARG 58 1HB ARG 58 1.905 15.111 -0.985 619 2HB ARG 58 2HB ARG 58 3.281 15.941 -1.688 620 1HG ARG 58 1HG ARG 58 1.712 17.399 -2.465 621 2HG ARG 58 2HG ARG 58 1.610 16.240 -3.775 622 1HD ARG 58 1HD ARG 58 -0.599 16.399 -3.303 623 2HD ARG 58 2HD ARG 58 -0.248 15.116 -2.149 624 HE ARG 58 HE ARG 58 -0.735 17.994 -1.677 625 1HH1 ARG 58 2HH2 ARG 58 -0.234 14.820 -0.118 626 2HH1 ARG 58 1HH2 ARG 58 -0.049 15.462 1.461 627 1HH2 ARG 58 2HH1 ARG 58 -1.071 18.742 0.449 628 2HH2 ARG 58 1HH1 ARG 58 -0.839 17.703 1.806 629 QB ARG 58 QB ARG 58 2.593 15.526 -1.336 630 QG ARG 58 QG ARG 58 1.661 16.819 -3.120 631 QD ARG 58 QD ARG 58 -0.424 15.758 -2.726 632 QH1 ARG 58 QH2 ARG 58 -0.141 15.141 0.672 633 QH2 ARG 58 QH1 ARG 58 -0.955 18.222 1.127 634 H LYS 59 H LYS 59 2.313 12.482 -0.789 635 HA LYS 59 HA LYS 59 5.141 12.158 -0.136 636 1HB LYS 59 1HB LYS 59 3.349 11.848 1.515 637 2HB LYS 59 2HB LYS 59 2.728 10.450 0.643 638 1HG LYS 59 1HG LYS 59 4.750 9.163 1.068 639 2HG LYS 59 2HG LYS 59 5.622 10.578 1.633 640 1HD LYS 59 1HD LYS 59 3.177 9.461 3.074 641 2HD LYS 59 2HD LYS 59 4.852 9.007 3.461 642 1HE LYS 59 1HE LYS 59 5.431 11.363 3.856 643 2HE LYS 59 2HE LYS 59 3.798 11.854 3.397 644 1HZ LYS 59 3HZ LYS 59 4.378 10.142 5.726 645 2HZ LYS 59 1HZ LYS 59 4.110 11.757 5.802 646 3HZ LYS 59 2HZ LYS 59 2.908 10.752 5.266 647 QB LYS 59 QB LYS 59 3.039 11.149 1.079 648 QG LYS 59 QG LYS 59 5.186 9.871 1.350 649 QD LYS 59 QD LYS 59 4.014 9.234 3.267 650 QE LYS 59 QE LYS 59 4.615 11.608 3.627 651 QZ LYS 59 QZ LYS 59 3.799 10.883 5.598 652 H ARG 60 H ARG 60 2.685 10.113 -1.942 653 HA ARG 60 HA ARG 60 4.378 8.147 -2.778 654 1HB ARG 60 1HB ARG 60 1.818 8.764 -3.200 655 2HB ARG 60 2HB ARG 60 2.426 9.475 -4.701 656 1HG ARG 60 1HG ARG 60 3.594 7.271 -5.133 657 2HG ARG 60 2HG ARG 60 2.850 6.705 -3.603 658 1HD ARG 60 1HD ARG 60 0.718 6.671 -4.506 659 2HD ARG 60 2HD ARG 60 1.088 7.904 -5.697 660 HE ARG 60 HE ARG 60 2.391 5.235 -5.920 661 1HH1 ARG 60 2HH2 ARG 60 0.102 7.531 -7.418 662 2HH1 ARG 60 1HH2 ARG 60 0.444 6.992 -9.026 663 1HH2 ARG 60 2HH1 ARG 60 2.937 4.669 -8.059 664 2HH2 ARG 60 1HH1 ARG 60 2.103 5.344 -9.382 665 QB ARG 60 QB ARG 60 2.122 9.120 -3.951 666 QG ARG 60 QG ARG 60 3.222 6.988 -4.368 667 QD ARG 60 QD ARG 60 0.903 7.287 -5.101 668 QH1 ARG 60 QH2 ARG 60 0.273 7.261 -8.222 669 QH2 ARG 60 QH1 ARG 60 2.520 5.006 -8.720 670 H GLU 61 H GLU 61 4.254 11.536 -4.035 671 HA GLU 61 HA GLU 61 5.426 10.910 -6.520 672 1HB GLU 61 1HB GLU 61 4.323 13.057 -5.851 673 2HB GLU 61 2HB GLU 61 5.735 13.472 -4.890 674 1HG GLU 61 1HG GLU 61 5.696 14.589 -7.115 675 2HG GLU 61 2HG GLU 61 7.125 13.617 -6.823 676 QB GLU 61 QB GLU 61 5.029 13.264 -5.370 677 QG GLU 61 QG GLU 61 6.410 14.103 -6.969 678 H ILE 62 H ILE 62 6.845 11.506 -3.351 679 HA ILE 62 HA ILE 62 9.522 11.684 -4.346 680 HB ILE 62 HB ILE 62 8.734 10.823 -1.518 681 1HG1 ILE 62 1HG1 ILE 62 8.759 13.649 -2.649 682 2HG1 ILE 62 2HG1 ILE 62 7.375 12.771 -2.009 683 1HG2 ILE 62 1HG2 ILE 62 11.143 10.744 -2.094 684 2HG2 ILE 62 2HG2 ILE 62 11.106 12.468 -2.517 685 3HG2 ILE 62 3HG2 ILE 62 10.832 11.914 -0.843 686 1HD1 ILE 62 1HD1 ILE 62 8.488 12.718 0.226 687 2HD1 ILE 62 2HD1 ILE 62 9.740 13.806 -0.427 688 3HD1 ILE 62 3HD1 ILE 62 8.056 14.339 -0.370 689 QG1 ILE 62 QG1 ILE 62 8.067 13.210 -2.329 690 QG2 ILE 62 QG2 ILE 62 11.027 11.709 -1.818 691 QD1 ILE 62 QD1 ILE 62 8.761 13.621 -0.190 692 H PHE 63 H PHE 63 7.433 8.946 -3.528 693 HA PHE 63 HA PHE 63 9.666 7.019 -3.582 694 1HB PHE 63 1HB PHE 63 7.840 6.693 -2.028 695 2HB PHE 63 2HB PHE 63 6.657 6.640 -3.322 696 HD1 PHE 63 2HD PHE 63 6.785 4.727 -5.044 697 HD2 PHE 63 1HD PHE 63 9.067 4.759 -1.374 698 HE1 PHE 63 2HE PHE 63 7.049 2.270 -5.180 699 HE2 PHE 63 1HE PHE 63 9.358 2.306 -1.542 700 1HZ PHE 63 HZ PHE 63 8.309 1.055 -3.402 701 QB PHE 63 QB PHE 63 7.249 6.666 -2.675 702 QG PHE 63 QD PHE 63 7.926 4.743 -3.209 703 QZ PHE 63 QE PHE 63 8.203 2.288 -3.361 704 QZ PHE 63 QR PHE 63 8.113 3.023 -3.308 705 H ASP 64 H ASP 64 6.998 8.163 -5.714 706 HA ASP 64 HA ASP 64 7.478 6.151 -7.711 707 1HB ASP 64 1HB ASP 64 5.350 7.550 -7.326 708 2HB ASP 64 2HB ASP 64 6.171 8.853 -8.184 709 QB ASP 64 QB ASP 64 5.760 8.201 -7.755 710 H ARG 65 H ARG 65 8.701 9.522 -7.227 711 HA ARG 65 HA ARG 65 10.245 9.520 -9.603 712 1HB ARG 65 1HB ARG 65 10.983 11.541 -8.908 713 2HB ARG 65 2HB ARG 65 9.405 11.491 -8.125 714 1HG ARG 65 1HG ARG 65 10.558 10.883 -6.017 715 2HG ARG 65 2HG ARG 65 12.105 11.122 -6.832 716 1HD ARG 65 1HD ARG 65 10.011 13.302 -6.748 717 2HD ARG 65 2HD ARG 65 11.194 13.075 -5.446 718 HE ARG 65 HE ARG 65 12.708 13.076 -7.753 719 1HH1 ARG 65 2HH2 ARG 65 10.568 15.414 -6.128 720 2HH1 ARG 65 1HH2 ARG 65 11.317 16.793 -6.894 721 1HH2 ARG 65 2HH1 ARG 65 13.819 14.920 -8.548 722 2HH2 ARG 65 1HH1 ARG 65 13.142 16.507 -8.266 723 QB ARG 65 QB ARG 65 10.194 11.516 -8.517 724 QG ARG 65 QG ARG 65 11.332 11.003 -6.425 725 QD ARG 65 QD ARG 65 10.602 13.188 -6.097 726 QH1 ARG 65 QH2 ARG 65 10.943 16.104 -6.511 727 QH2 ARG 65 QH1 ARG 65 13.481 15.713 -8.407 728 H TYR 66 H TYR 66 11.002 8.710 -6.250 729 HA TYR 66 HA TYR 66 13.702 7.716 -7.073 730 1HB TYR 66 1HB TYR 66 12.800 8.454 -4.287 731 2HB TYR 66 2HB TYR 66 14.409 8.006 -4.751 732 HD1 TYR 66 1HD TYR 66 15.039 9.699 -7.087 733 HD2 TYR 66 2HD TYR 66 12.753 10.628 -3.551 734 HE1 TYR 66 1HE TYR 66 15.618 12.079 -7.328 735 HE2 TYR 66 2HE TYR 66 13.400 13.006 -3.738 736 HH TYR 66 HH TYR 66 15.876 14.085 -5.342 737 QB TYR 66 QB TYR 66 13.605 8.230 -4.519 738 QG TYR 66 QD TYR 66 13.896 10.164 -5.319 739 QZ TYR 66 QE TYR 66 14.509 12.542 -5.533 740 QR TYR 66 QR TYR 66 14.202 11.353 -5.426 741 H GLY 67 H GLY 67 11.740 6.853 -4.172 742 1HA GLY 67 1HA GLY 67 10.543 4.581 -4.451 743 2HA GLY 67 2HA GLY 67 12.172 3.982 -4.795 744 QA GLY 67 QA GLY 67 11.358 4.281 -4.623 745 H GLU 68 H GLU 68 12.520 2.784 -3.051 746 HA GLU 68 HA GLU 68 12.244 3.304 -0.297 747 1HB GLU 68 1HB GLU 68 14.106 1.624 -0.174 748 2HB GLU 68 2HB GLU 68 12.711 1.123 -1.156 749 1HG GLU 68 1HG GLU 68 13.948 1.541 -3.211 750 2HG GLU 68 2HG GLU 68 15.296 2.248 -2.307 751 QB GLU 68 QB GLU 68 13.408 1.373 -0.665 752 QG GLU 68 QG GLU 68 14.622 1.894 -2.759 753 H GLU 69 H GLU 69 14.203 4.932 -2.536 754 HA GLU 69 HA GLU 69 16.171 5.890 -0.507 755 1HB GLU 69 1HB GLU 69 16.111 5.503 -3.513 756 2HB GLU 69 2HB GLU 69 17.218 6.686 -2.802 757 1HG GLU 69 1HG GLU 69 18.300 5.020 -1.421 758 2HG GLU 69 2HG GLU 69 17.039 3.840 -1.741 759 QB GLU 69 QB GLU 69 16.664 6.094 -3.158 760 QG GLU 69 QG GLU 69 17.670 4.430 -1.581 761 H GLY 70 H GLY 70 13.185 6.672 -1.510 762 1HA GLY 70 1HA GLY 70 13.615 9.604 -1.753 763 2HA GLY 70 2HA GLY 70 12.194 8.685 -2.294 764 QA GLY 70 QA GLY 70 12.905 9.144 -2.024 765 H LEU 71 H LEU 71 11.257 7.228 -0.358 766 HA LEU 71 HA LEU 71 10.341 9.073 1.690 767 1HB LEU 71 1HB LEU 71 9.058 7.010 0.829 768 2HB LEU 71 2HB LEU 71 10.244 6.022 1.682 769 HG LEU 71 HG LEU 71 9.578 7.476 3.786 770 1HD1 LEU 71 3HD1 LEU 71 8.226 9.133 2.523 771 2HD1 LEU 71 1HD1 LEU 71 7.103 7.844 2.044 772 3HD1 LEU 71 2HD1 LEU 71 7.274 8.298 3.758 773 1HD2 LEU 71 1HD2 LEU 71 9.082 5.044 3.492 774 2HD2 LEU 71 2HD2 LEU 71 7.839 5.922 4.399 775 3HD2 LEU 71 3HD2 LEU 71 7.564 5.506 2.698 776 QB LEU 71 QB LEU 71 9.651 6.516 1.255 777 QD1 LEU 71 QD1 LEU 71 7.534 8.425 2.775 778 QD2 LEU 71 QD2 LEU 71 8.162 5.491 3.530 779 QQD LEU 71 QQD LEU 71 7.848 6.958 3.152 780 H LYS 72 H LYS 72 11.225 9.330 3.801 781 HA LYS 72 HA LYS 72 13.877 8.121 4.251 782 1HB LYS 72 1HB LYS 72 13.124 10.615 4.752 783 2HB LYS 72 2HB LYS 72 12.545 9.926 6.280 784 1HG LYS 72 1HG LYS 72 14.864 8.890 6.554 785 2HG LYS 72 2HG LYS 72 15.340 9.702 5.069 786 1HD LYS 72 1HD LYS 72 16.222 11.015 6.749 787 2HD LYS 72 2HD LYS 72 14.797 11.925 6.235 788 1HE LYS 72 1HE LYS 72 13.621 11.362 8.232 789 2HE LYS 72 2HE LYS 72 14.670 9.973 8.559 790 1HZ LYS 72 1HZ LYS 72 15.589 12.783 8.705 791 2HZ LYS 72 2HZ LYS 72 15.151 11.901 9.992 792 3HZ LYS 72 3HZ LYS 72 16.455 11.434 9.123 793 QB LYS 72 QB LYS 72 12.834 10.271 5.516 794 QG LYS 72 QG LYS 72 15.102 9.296 5.811 795 QD LYS 72 QD LYS 72 15.509 11.470 6.492 796 QE LYS 72 QE LYS 72 14.145 10.667 8.395 797 QZ LYS 72 QZ LYS 72 15.731 12.039 9.273 798 H GLY 73 H GLY 73 11.946 6.158 4.088 799 1HA GLY 73 1HA GLY 73 10.828 4.478 5.141 800 2HA GLY 73 2HA GLY 73 11.911 4.718 6.530 801 QA GLY 73 QA GLY 73 11.370 4.598 5.836 802 H SER 74 H SER 74 9.821 4.103 7.667 803 HA SER 74 HA SER 74 7.713 5.984 8.025 804 1HB SER 74 1HB SER 74 8.996 3.909 9.858 805 2HB SER 74 2HB SER 74 7.452 4.722 10.175 806 HG SER 74 HG SER 74 6.537 3.791 8.494 807 QB SER 74 QB SER 74 8.224 4.316 10.017 808 H GLY 75 H GLY 75 11.029 6.517 8.595 809 1HA GLY 75 1HA GLY 75 12.190 7.869 10.003 810 2HA GLY 75 2HA GLY 75 10.664 8.496 10.689 811 QA GLY 75 QA GLY 75 11.427 8.182 10.346 812 H CYS 76 H CYS 76 11.453 8.252 12.730 813 HA CYS 76 HA CYS 76 11.448 7.119 14.836 814 1HB CYS 76 1HB CYS 76 12.916 4.883 13.363 815 2HB CYS 76 2HB CYS 76 12.749 5.051 15.115 816 HG CYS 76 HG CYS 76 10.534 4.584 12.782 817 QB CYS 76 QB CYS 76 12.832 4.967 14.239 No H/Q in entry = 817 Start of MODEL 10 1 H MET 0 H MET 0 15.741 -0.075 5.826 2 HA MET 0 HA MET 0 13.994 1.738 7.358 3 1HB MET 0 1HB MET 0 16.691 2.026 7.166 4 2HB MET 0 2HB MET 0 16.200 2.909 5.712 5 1HG MET 0 1HG MET 0 16.239 4.500 7.510 6 2HG MET 0 2HG MET 0 14.542 4.174 7.165 7 1HE MET 0 2HE MET 0 15.112 5.675 9.667 8 2HE MET 0 3HE MET 0 13.495 5.004 9.373 9 3HE MET 0 1HE MET 0 14.275 4.783 10.958 10 QB MET 0 QB MET 0 16.445 2.468 6.439 11 QG MET 0 QG MET 0 15.391 4.337 7.337 12 QE MET 0 QE MET 0 14.294 5.154 10.000 13 H GLY 1 H GLY 1 14.975 0.800 4.027 14 1HA GLY 1 1HA GLY 1 12.732 2.138 2.804 15 2HA GLY 1 2HA GLY 1 13.574 0.684 2.241 16 QA GLY 1 QA GLY 1 13.153 1.411 2.523 17 H LYS 2 H LYS 2 11.573 1.529 5.151 18 HA LYS 2 HA LYS 2 9.847 -0.823 4.836 19 1HB LYS 2 1HB LYS 2 8.469 0.396 6.518 20 2HB LYS 2 2HB LYS 2 10.042 -0.142 7.078 21 1HG LYS 2 1HG LYS 2 10.934 2.117 7.029 22 2HG LYS 2 2HG LYS 2 9.460 2.736 6.259 23 1HD LYS 2 1HD LYS 2 8.159 1.898 8.223 24 2HD LYS 2 2HD LYS 2 9.684 1.490 9.025 25 1HE LYS 2 1HE LYS 2 10.381 3.894 8.845 26 2HE LYS 2 2HE LYS 2 8.836 4.254 8.052 27 1HZ LYS 2 1HZ LYS 2 7.760 3.366 10.084 28 2HZ LYS 2 2HZ LYS 2 9.233 3.382 10.837 29 3HZ LYS 2 3HZ LYS 2 8.549 4.782 10.283 30 QB LYS 2 QB LYS 2 9.255 0.127 6.798 31 QG LYS 2 QG LYS 2 10.197 2.427 6.644 32 QD LYS 2 QD LYS 2 8.922 1.694 8.624 33 QE LYS 2 QE LYS 2 9.609 4.074 8.448 34 QZ LYS 2 QZ LYS 2 8.514 3.844 10.402 35 H ASP 3 H ASP 3 9.688 -0.396 2.592 36 HA ASP 3 HA ASP 3 8.581 2.013 1.597 37 1HB ASP 3 1HB ASP 3 8.864 -0.664 0.232 38 2HB ASP 3 2HB ASP 3 8.485 0.826 -0.596 39 QB ASP 3 QB ASP 3 8.674 0.081 -0.182 40 H TYR 4 H TYR 4 6.773 1.871 -0.061 41 HA TYR 4 HA TYR 4 4.363 0.519 1.008 42 1HB TYR 4 1HB TYR 4 4.544 3.428 0.178 43 2HB TYR 4 2HB TYR 4 3.125 2.605 0.795 44 HD1 TYR 4 1HD TYR 4 3.784 1.345 3.282 45 HD2 TYR 4 2HD TYR 4 5.545 4.919 1.618 46 HE1 TYR 4 1HE TYR 4 4.576 1.990 5.517 47 HE2 TYR 4 2HE TYR 4 6.293 5.587 3.885 48 HH TYR 4 HH TYR 4 5.413 3.842 6.799 49 QB TYR 4 QB TYR 4 3.835 3.016 0.487 50 QG TYR 4 QD TYR 4 4.665 3.132 2.450 51 QZ TYR 4 QE TYR 4 5.435 3.788 4.701 52 QR TYR 4 QR TYR 4 5.050 3.460 3.575 53 H TYR 5 H TYR 5 5.446 -0.796 -0.907 54 HA TYR 5 HA TYR 5 3.691 -0.285 -3.244 55 1HB TYR 5 1HB TYR 5 6.647 -0.199 -3.247 56 2HB TYR 5 2HB TYR 5 6.032 -1.464 -4.264 57 HD1 TYR 5 1HD TYR 5 5.877 2.216 -3.679 58 HD2 TYR 5 2HD TYR 5 5.068 -1.018 -6.415 59 HE1 TYR 5 1HE TYR 5 5.765 3.828 -5.563 60 HE2 TYR 5 2HE TYR 5 4.915 0.588 -8.281 61 HH TYR 5 HH TYR 5 4.906 2.882 -8.880 62 QB TYR 5 QB TYR 5 6.339 -0.831 -3.756 63 QG TYR 5 QD TYR 5 5.472 0.599 -5.047 64 QZ TYR 5 QE TYR 5 5.340 2.208 -6.922 65 QR TYR 5 QR TYR 5 5.406 1.404 -5.985 66 H GLN 6 H GLN 6 6.223 -2.693 -2.408 67 HA GLN 6 HA GLN 6 4.526 -4.928 -2.975 68 1HB GLN 6 1HB GLN 6 7.058 -4.756 -3.086 69 2HB GLN 6 2HB GLN 6 7.074 -4.858 -1.331 70 1HG GLN 6 1HG GLN 6 6.010 -7.106 -1.425 71 2HG GLN 6 2HG GLN 6 5.960 -7.001 -3.189 72 1HE2 GLN 6 2HE2 GLN 6 9.524 -7.726 -1.261 73 2HE2 GLN 6 1HE2 GLN 6 8.057 -7.463 -0.349 74 QB GLN 6 QB GLN 6 7.066 -4.807 -2.208 75 QG GLN 6 QG GLN 6 5.985 -7.054 -2.307 76 QE2 GLN 6 QE2 GLN 6 8.791 -7.594 -0.805 77 H THR 7 H THR 7 5.052 -2.996 -0.138 78 HA THR 7 HA THR 7 4.071 -4.668 1.883 79 HB THR 7 HB THR 7 3.651 -1.674 1.529 80 HG1 THR 7 1HG THR 7 5.693 -1.548 2.515 81 1HG2 THR 7 3HG2 THR 7 3.866 -3.353 4.056 82 2HG2 THR 7 1HG2 THR 7 3.811 -1.579 4.007 83 3HG2 THR 7 2HG2 THR 7 2.403 -2.519 3.488 84 QG2 THR 7 QG2 THR 7 3.360 -2.484 3.850 85 H LEU 8 H LEU 8 2.333 -3.170 -0.728 86 HA LEU 8 HA LEU 8 -0.297 -4.109 0.311 87 1HB LEU 8 1HB LEU 8 0.104 -1.788 -0.838 88 2HB LEU 8 2HB LEU 8 0.194 -2.727 -2.333 89 HG LEU 8 HG LEU 8 -2.124 -3.739 -1.507 90 1HD1 LEU 8 1HD1 LEU 8 -1.976 -2.730 0.777 91 2HD1 LEU 8 2HD1 LEU 8 -2.167 -1.132 0.031 92 3HD1 LEU 8 3HD1 LEU 8 -3.453 -2.361 -0.118 93 1HD2 LEU 8 3HD2 LEU 8 -1.868 -2.348 -3.488 94 2HD2 LEU 8 1HD2 LEU 8 -3.335 -1.995 -2.595 95 3HD2 LEU 8 2HD2 LEU 8 -1.977 -0.877 -2.470 96 QB LEU 8 QB LEU 8 0.149 -2.257 -1.586 97 QD1 LEU 8 QD1 LEU 8 -2.532 -2.074 0.230 98 QD2 LEU 8 QD2 LEU 8 -2.393 -1.740 -2.851 99 QQD LEU 8 QQD LEU 8 -2.462 -1.907 -1.310 100 H GLY 9 H GLY 9 2.152 -5.803 -0.735 101 1HA GLY 9 1HA GLY 9 2.434 -7.728 -1.885 102 2HA GLY 9 2HA GLY 9 0.706 -7.766 -2.265 103 QA GLY 9 QA GLY 9 1.570 -7.747 -2.075 104 H LEU 10 H LEU 10 2.426 -4.785 -3.140 105 HA LEU 10 HA LEU 10 1.781 -5.411 -5.864 106 1HB LEU 10 1HB LEU 10 1.650 -3.166 -4.368 107 2HB LEU 10 2HB LEU 10 3.165 -2.849 -5.175 108 HG LEU 10 HG LEU 10 2.082 -2.166 -7.019 109 1HD1 LEU 10 3HD1 LEU 10 1.764 -4.499 -7.901 110 2HD1 LEU 10 1HD1 LEU 10 0.232 -4.595 -6.982 111 3HD1 LEU 10 2HD1 LEU 10 0.404 -3.441 -8.288 112 1HD2 LEU 10 1HD2 LEU 10 0.497 -1.369 -5.315 113 2HD2 LEU 10 2HD2 LEU 10 -0.329 -1.775 -6.848 114 3HD2 LEU 10 3HD2 LEU 10 -0.435 -2.881 -5.465 115 QB LEU 10 QB LEU 10 2.408 -3.008 -4.771 116 QD1 LEU 10 QD1 LEU 10 0.800 -4.179 -7.724 117 QD2 LEU 10 QD2 LEU 10 -0.089 -2.008 -5.876 118 QQD LEU 10 QQD LEU 10 0.355 -3.093 -6.800 119 H ALA 11 H ALA 11 3.776 -3.999 -7.363 120 HA ALA 11 HA ALA 11 6.380 -5.162 -6.641 121 1HB ALA 11 3HB ALA 11 5.315 -6.788 -8.213 122 2HB ALA 11 1HB ALA 11 5.071 -5.466 -9.382 123 3HB ALA 11 2HB ALA 11 6.713 -5.962 -8.928 124 QB ALA 11 QB ALA 11 5.700 -6.072 -8.841 125 H ARG 12 H ARG 12 8.127 -3.967 -7.719 126 HA ARG 12 HA ARG 12 7.427 -1.127 -8.159 127 1HB ARG 12 1HB ARG 12 10.132 -2.532 -8.246 128 2HB ARG 12 2HB ARG 12 9.838 -0.815 -8.453 129 1HG ARG 12 1HG ARG 12 10.457 -0.819 -6.262 130 2HG ARG 12 2HG ARG 12 8.713 -0.963 -6.075 131 1HD ARG 12 1HD ARG 12 9.734 -2.503 -4.541 132 2HD ARG 12 2HD ARG 12 9.042 -3.474 -5.823 133 HE ARG 12 HE ARG 12 11.120 -4.098 -6.559 134 1HH1 ARG 12 2HH2 ARG 12 11.542 -1.723 -3.889 135 2HH1 ARG 12 1HH2 ARG 12 13.218 -2.160 -3.673 136 1HH2 ARG 12 2HH1 ARG 12 13.419 -4.461 -6.268 137 2HH2 ARG 12 1HH1 ARG 12 14.196 -3.716 -4.895 138 QB ARG 12 QB ARG 12 9.985 -1.673 -8.350 139 QG ARG 12 QG ARG 12 9.585 -0.891 -6.168 140 QD ARG 12 QD ARG 12 9.388 -2.989 -5.182 141 QH1 ARG 12 QH2 ARG 12 12.380 -1.942 -3.781 142 QH2 ARG 12 QH1 ARG 12 13.808 -4.089 -5.582 143 H GLY 13 H GLY 13 6.655 -0.627 -10.094 144 1HA GLY 13 1HA GLY 13 7.203 -0.569 -12.566 145 2HA GLY 13 2HA GLY 13 7.245 -2.332 -12.483 146 QA GLY 13 QA GLY 13 7.224 -1.450 -12.525 147 H ALA 14 H ALA 14 4.903 -1.873 -10.345 148 HA ALA 14 HA ALA 14 2.705 -2.462 -12.034 149 1HB ALA 14 1HB ALA 14 2.928 -3.122 -9.660 150 2HB ALA 14 2HB ALA 14 2.768 -1.411 -9.177 151 3HB ALA 14 3HB ALA 14 1.415 -2.252 -9.960 152 QB ALA 14 QB ALA 14 2.370 -2.261 -9.599 153 H SER 15 H SER 15 0.537 -1.098 -11.523 154 HA SER 15 HA SER 15 0.931 1.746 -12.206 155 1HB SER 15 1HB SER 15 -0.770 1.358 -14.034 156 2HB SER 15 2HB SER 15 0.784 0.554 -14.322 157 HG SER 15 HG SER 15 -1.144 -0.757 -14.675 158 QB SER 15 QB SER 15 0.007 0.956 -14.178 159 H ASP 16 H ASP 16 -1.225 2.836 -12.263 160 HA ASP 16 HA ASP 16 -2.196 2.918 -9.715 161 1HB ASP 16 1HB ASP 16 -3.368 3.957 -12.329 162 2HB ASP 16 2HB ASP 16 -3.949 4.447 -10.731 163 QB ASP 16 QB ASP 16 -3.658 4.202 -11.530 164 H GLU 17 H GLU 17 -3.610 1.262 -12.538 165 HA GLU 17 HA GLU 17 -6.073 0.650 -11.079 166 1HB GLU 17 1HB GLU 17 -5.740 1.136 -13.642 167 2HB GLU 17 2HB GLU 17 -5.237 -0.553 -13.738 168 1HG GLU 17 1HG GLU 17 -7.600 -0.326 -14.300 169 2HG GLU 17 2HG GLU 17 -7.456 -1.225 -12.793 170 QB GLU 17 QB GLU 17 -5.488 0.291 -13.690 171 QG GLU 17 QG GLU 17 -7.528 -0.775 -13.547 172 H GLU 18 H GLU 18 -2.910 -0.643 -11.161 173 HA GLU 18 HA GLU 18 -3.701 -3.409 -10.578 174 1HB GLU 18 1HB GLU 18 -1.329 -2.218 -11.598 175 2HB GLU 18 2HB GLU 18 -0.939 -2.638 -9.949 176 1HG GLU 18 1HG GLU 18 -2.087 -4.521 -12.061 177 2HG GLU 18 2HG GLU 18 -0.400 -4.430 -11.573 178 QB GLU 18 QB GLU 18 -1.134 -2.428 -10.773 179 QG GLU 18 QG GLU 18 -1.243 -4.475 -11.817 180 H ILE 19 H ILE 19 -2.443 -0.352 -9.105 181 HA ILE 19 HA ILE 19 -2.424 -1.204 -6.439 182 HB ILE 19 HB ILE 19 -2.916 1.522 -7.634 183 1HG1 ILE 19 1HG1 ILE 19 -0.738 0.413 -5.835 184 2HG1 ILE 19 2HG1 ILE 19 -0.649 0.378 -7.609 185 1HG2 ILE 19 3HG2 ILE 19 -2.839 0.881 -4.642 186 2HG2 ILE 19 1HG2 ILE 19 -2.864 2.500 -5.373 187 3HG2 ILE 19 2HG2 ILE 19 -4.256 1.478 -5.526 188 1HD1 ILE 19 2HD1 ILE 19 -0.770 2.808 -7.674 189 2HD1 ILE 19 3HD1 ILE 19 -0.790 2.870 -5.892 190 3HD1 ILE 19 1HD1 ILE 19 0.601 2.190 -6.716 191 QG1 ILE 19 QG1 ILE 19 -0.694 0.396 -6.722 192 QG2 ILE 19 QG2 ILE 19 -3.320 1.619 -5.180 193 QD1 ILE 19 QD1 ILE 19 -0.320 2.623 -6.761 194 H LYS 20 H LYS 20 -5.132 0.456 -8.169 195 HA LYS 20 HA LYS 20 -6.808 -0.018 -5.880 196 1HB LYS 20 1HB LYS 20 -7.362 1.044 -8.660 197 2HB LYS 20 2HB LYS 20 -8.657 0.820 -7.458 198 1HG LYS 20 1HG LYS 20 -7.530 2.184 -5.824 199 2HG LYS 20 2HG LYS 20 -6.087 2.351 -6.838 200 1HD LYS 20 1HD LYS 20 -7.246 3.707 -8.436 201 2HD LYS 20 2HD LYS 20 -8.811 3.402 -7.624 202 1HE LYS 20 1HE LYS 20 -8.082 4.528 -5.619 203 2HE LYS 20 2HE LYS 20 -6.438 4.726 -6.232 204 1HZ LYS 20 3HZ LYS 20 -8.636 5.898 -7.771 205 2HZ LYS 20 1HZ LYS 20 -8.121 6.665 -6.390 206 3HZ LYS 20 2HZ LYS 20 -7.081 6.416 -7.601 207 QB LYS 20 QB LYS 20 -8.010 0.932 -8.059 208 QG LYS 20 QG LYS 20 -6.808 2.268 -6.331 209 QD LYS 20 QD LYS 20 -8.028 3.554 -8.030 210 QE LYS 20 QE LYS 20 -7.260 4.627 -5.925 211 QZ LYS 20 QZ LYS 20 -7.946 6.326 -7.254 212 H ARG 21 H ARG 21 -5.984 -2.227 -8.358 213 HA ARG 21 HA ARG 21 -8.256 -4.000 -7.791 214 1HB ARG 21 1HB ARG 21 -6.968 -3.953 -9.922 215 2HB ARG 21 2HB ARG 21 -5.542 -4.532 -9.115 216 1HG ARG 21 1HG ARG 21 -8.185 -6.072 -9.202 217 2HG ARG 21 2HG ARG 21 -6.909 -6.212 -10.412 218 1HD ARG 21 1HD ARG 21 -5.398 -6.614 -8.199 219 2HD ARG 21 2HD ARG 21 -6.949 -7.164 -7.564 220 HE ARG 21 HE ARG 21 -6.692 -9.100 -8.787 221 1HH1 ARG 21 2HH2 ARG 21 -4.492 -6.668 -10.258 222 2HH1 ARG 21 1HH2 ARG 21 -3.842 -7.808 -11.357 223 1HH2 ARG 21 2HH1 ARG 21 -5.718 -10.546 -10.206 224 2HH2 ARG 21 1HH1 ARG 21 -4.544 -9.956 -11.388 225 QB ARG 21 QB ARG 21 -6.255 -4.243 -9.519 226 QG ARG 21 QG ARG 21 -7.547 -6.142 -9.807 227 QD ARG 21 QD ARG 21 -6.173 -6.889 -7.881 228 QH1 ARG 21 QH2 ARG 21 -4.167 -7.238 -10.808 229 QH2 ARG 21 QH1 ARG 21 -5.131 -10.251 -10.797 230 H ALA 22 H ALA 22 -4.798 -3.891 -7.075 231 HA ALA 22 HA ALA 22 -4.465 -5.989 -5.294 232 1HB ALA 22 1HB ALA 22 -2.592 -4.795 -6.266 233 2HB ALA 22 2HB ALA 22 -2.988 -3.343 -5.335 234 3HB ALA 22 3HB ALA 22 -2.462 -4.820 -4.499 235 QB ALA 22 QB ALA 22 -2.681 -4.319 -5.367 236 H TYR 23 H TYR 23 -5.116 -2.511 -4.336 237 HA TYR 23 HA TYR 23 -5.359 -2.935 -1.592 238 1HB TYR 23 1HB TYR 23 -5.102 -0.765 -1.955 239 2HB TYR 23 2HB TYR 23 -5.446 -0.850 -3.635 240 HD1 TYR 23 1HD TYR 23 -8.140 -1.074 -4.141 241 HD2 TYR 23 2HD TYR 23 -6.127 1.062 -0.976 242 HE1 TYR 23 1HE TYR 23 -9.999 0.515 -4.067 243 HE2 TYR 23 2HE TYR 23 -7.978 2.692 -0.925 244 HH TYR 23 HH TYR 23 -10.009 3.344 -1.884 245 QB TYR 23 QB TYR 23 -5.274 -0.807 -2.795 246 QG TYR 23 QD TYR 23 -7.133 -0.006 -2.558 247 QZ TYR 23 QE TYR 23 -8.988 1.604 -2.496 248 QR TYR 23 QR TYR 23 -8.061 0.799 -2.527 249 H ARG 24 H ARG 24 -7.869 -3.146 -4.180 250 HA ARG 24 HA ARG 24 -9.990 -3.338 -2.303 251 1HB ARG 24 1HB ARG 24 -10.149 -2.862 -4.824 252 2HB ARG 24 2HB ARG 24 -9.949 -4.594 -5.077 253 1HG ARG 24 1HG ARG 24 -12.243 -4.275 -5.136 254 2HG ARG 24 2HG ARG 24 -11.993 -4.874 -3.488 255 1HD ARG 24 1HD ARG 24 -12.373 -2.701 -2.550 256 2HD ARG 24 2HD ARG 24 -12.085 -1.899 -4.094 257 HE ARG 24 HE ARG 24 -14.206 -2.194 -4.724 258 1HH1 ARG 24 2HH2 ARG 24 -13.769 -4.292 -1.836 259 2HH1 ARG 24 1HH2 ARG 24 -15.454 -4.692 -1.777 260 1HH2 ARG 24 2HH1 ARG 24 -16.410 -2.724 -4.513 261 2HH2 ARG 24 1HH1 ARG 24 -16.944 -3.780 -3.223 262 QB ARG 24 QB ARG 24 -10.049 -3.728 -4.950 263 QG ARG 24 QG ARG 24 -12.118 -4.574 -4.312 264 QD ARG 24 QD ARG 24 -12.229 -2.300 -3.322 265 QH1 ARG 24 QH2 ARG 24 -14.611 -4.492 -1.807 266 QH2 ARG 24 QH1 ARG 24 -16.677 -3.252 -3.868 267 H ARG 25 H ARG 25 -8.114 -5.907 -4.038 268 HA ARG 25 HA ARG 25 -9.515 -7.983 -2.575 269 1HB ARG 25 1HB ARG 25 -7.965 -9.564 -3.495 270 2HB ARG 25 2HB ARG 25 -8.558 -8.471 -4.739 271 1HG ARG 25 1HG ARG 25 -6.394 -7.225 -4.646 272 2HG ARG 25 2HG ARG 25 -5.790 -8.394 -3.445 273 1HD ARG 25 1HD ARG 25 -6.210 -10.217 -5.099 274 2HD ARG 25 2HD ARG 25 -6.741 -9.022 -6.270 275 HE ARG 25 HE ARG 25 -4.487 -8.105 -6.370 276 1HH1 ARG 25 2HH2 ARG 25 -4.711 -11.370 -4.863 277 2HH1 ARG 25 1HH2 ARG 25 -3.164 -11.818 -5.439 278 1HH2 ARG 25 2HH1 ARG 25 -2.439 -8.672 -6.930 279 2HH2 ARG 25 1HH1 ARG 25 -1.731 -10.195 -6.467 280 QB ARG 25 QB ARG 25 -8.261 -9.017 -4.117 281 QG ARG 25 QG ARG 25 -6.092 -7.809 -4.046 282 QD ARG 25 QD ARG 25 -6.476 -9.620 -5.684 283 QH1 ARG 25 QH2 ARG 25 -3.938 -11.594 -5.151 284 QH2 ARG 25 QH1 ARG 25 -2.085 -9.434 -6.699 285 H GLN 26 H GLN 26 -6.417 -6.205 -1.890 286 HA GLN 26 HA GLN 26 -5.572 -8.001 0.124 287 1HB GLN 26 1HB GLN 26 -5.061 -5.103 -0.663 288 2HB GLN 26 2HB GLN 26 -4.349 -5.692 0.802 289 1HG GLN 26 1HG GLN 26 -3.995 -7.193 -1.830 290 2HG GLN 26 2HG GLN 26 -2.977 -5.838 -1.364 291 1HE2 GLN 26 2HE2 GLN 26 -0.767 -8.220 0.033 292 2HE2 GLN 26 1HE2 GLN 26 -1.103 -7.031 -1.217 293 QB GLN 26 QB GLN 26 -4.705 -5.398 0.069 294 QG GLN 26 QG GLN 26 -3.486 -6.515 -1.597 295 QE2 GLN 26 QE2 GLN 26 -0.935 -7.626 -0.592 296 H ALA 27 H ALA 27 -7.477 -4.931 0.338 297 HA ALA 27 HA ALA 27 -7.739 -4.932 3.145 298 1HB ALA 27 1HB ALA 27 -9.719 -4.033 0.984 299 2HB ALA 27 2HB ALA 27 -9.820 -3.611 2.711 300 3HB ALA 27 3HB ALA 27 -8.449 -3.056 1.746 301 QB ALA 27 QB ALA 27 -9.329 -3.567 1.814 302 H LEU 28 H LEU 28 -9.891 -6.417 0.585 303 HA LEU 28 HA LEU 28 -11.702 -7.483 2.479 304 1HB LEU 28 1HB LEU 28 -11.432 -7.288 -0.375 305 2HB LEU 28 2HB LEU 28 -11.690 -8.962 -0.019 306 HG LEU 28 HG LEU 28 -13.427 -6.662 0.982 307 1HD1 LEU 28 3HD1 LEU 28 -13.534 -6.909 -1.482 308 2HD1 LEU 28 1HD1 LEU 28 -13.958 -8.621 -1.291 309 3HD1 LEU 28 2HD1 LEU 28 -15.062 -7.357 -0.710 310 1HD2 LEU 28 2HD2 LEU 28 -13.921 -9.675 1.032 311 2HD2 LEU 28 3HD2 LEU 28 -13.612 -8.622 2.439 312 3HD2 LEU 28 1HD2 LEU 28 -15.084 -8.407 1.508 313 QB LEU 28 QB LEU 28 -11.561 -8.125 -0.197 314 QD1 LEU 28 QD1 LEU 28 -14.184 -7.629 -1.161 315 QD2 LEU 28 QD2 LEU 28 -14.206 -8.901 1.660 316 QQD LEU 28 QQD LEU 28 -14.195 -8.265 0.249 317 H ARG 29 H ARG 29 -8.567 -8.737 1.439 318 HA ARG 29 HA ARG 29 -9.029 -11.441 2.257 319 1HB ARG 29 1HB ARG 29 -7.314 -10.614 0.587 320 2HB ARG 29 2HB ARG 29 -6.434 -9.863 1.902 321 1HG ARG 29 1HG ARG 29 -5.968 -11.966 2.943 322 2HG ARG 29 2HG ARG 29 -7.203 -12.762 1.956 323 1HD ARG 29 1HD ARG 29 -5.270 -11.647 0.148 324 2HD ARG 29 2HD ARG 29 -4.364 -12.430 1.439 325 HE ARG 29 HE ARG 29 -6.496 -13.709 -0.223 326 1HH1 ARG 29 2HH2 ARG 29 -3.622 -14.225 1.860 327 2HH1 ARG 29 1HH2 ARG 29 -3.641 -15.933 1.607 328 1HH2 ARG 29 2HH1 ARG 29 -6.323 -15.912 -0.686 329 2HH2 ARG 29 1HH1 ARG 29 -5.297 -16.914 0.282 330 QB ARG 29 QB ARG 29 -6.874 -10.238 1.244 331 QG ARG 29 QG ARG 29 -6.586 -12.364 2.449 332 QD ARG 29 QD ARG 29 -4.817 -12.039 0.793 333 QH1 ARG 29 QH2 ARG 29 -3.631 -15.079 1.734 334 QH2 ARG 29 QH1 ARG 29 -5.810 -16.413 -0.202 335 H TYR 30 H TYR 30 -8.204 -8.457 3.962 336 HA TYR 30 HA TYR 30 -7.409 -10.020 6.390 337 1HB TYR 30 1HB TYR 30 -6.320 -7.567 4.987 338 2HB TYR 30 2HB TYR 30 -6.219 -7.649 6.727 339 HD1 TYR 30 2HD TYR 30 -5.205 -9.583 3.674 340 HD2 TYR 30 1HD TYR 30 -4.514 -8.674 7.815 341 HE1 TYR 30 2HE TYR 30 -3.126 -10.937 3.605 342 HE2 TYR 30 1HE TYR 30 -2.373 -9.921 7.726 343 HH TYR 30 HH TYR 30 -1.052 -11.508 4.851 344 QB TYR 30 QB TYR 30 -6.269 -7.608 5.857 345 QG TYR 30 QD TYR 30 -4.860 -9.128 5.745 346 QZ TYR 30 QE TYR 30 -2.750 -10.429 5.665 347 QR TYR 30 QR TYR 30 -3.805 -9.779 5.705 348 H HIS 31 H HIS 31 -9.676 -7.667 5.249 349 HA HIS 31 HA HIS 31 -9.866 -5.811 7.108 350 1HB HIS 31 1HB HIS 31 -11.244 -5.913 5.112 351 2HB HIS 31 2HB HIS 31 -12.216 -7.214 5.808 352 HD1 HIS 31 1HD HIS 31 -11.683 -4.541 8.465 353 HD2 HIS 31 2HD HIS 31 -14.127 -5.254 5.077 354 HE1 HIS 31 1HE HIS 31 -13.573 -3.003 8.679 355 QB HIS 31 QB HIS 31 -11.730 -6.564 5.460 356 HA PRO 32 HA PRO 32 -10.338 -8.252 10.847 357 1HB PRO 32 1HB PRO 32 -10.959 -5.680 12.216 358 2HB PRO 32 2HB PRO 32 -9.720 -6.921 12.583 359 1HG PRO 32 1HG PRO 32 -9.151 -4.497 11.378 360 2HG PRO 32 2HG PRO 32 -8.207 -6.003 11.081 361 1HD PRO 32 1HD PRO 32 -10.241 -4.677 9.364 362 2HD PRO 32 2HD PRO 32 -8.820 -5.681 8.919 363 QB PRO 32 QB PRO 32 -10.340 -6.300 12.400 364 QG PRO 32 QG PRO 32 -8.679 -5.250 11.230 365 QD PRO 32 QD PRO 32 -9.531 -5.179 9.142 366 H ASP 33 H ASP 33 -12.862 -6.130 9.626 367 HA ASP 33 HA ASP 33 -14.812 -6.987 11.561 368 1HB ASP 33 1HB ASP 33 -14.750 -4.743 10.376 369 2HB ASP 33 2HB ASP 33 -15.294 -5.582 8.912 370 QB ASP 33 QB ASP 33 -15.022 -5.163 9.644 371 H LYS 34 H LYS 34 -13.472 -8.540 8.940 372 HA LYS 34 HA LYS 34 -15.777 -10.391 8.540 373 1HB LYS 34 1HB LYS 34 -16.035 -8.891 6.749 374 2HB LYS 34 2HB LYS 34 -14.317 -8.731 6.461 375 1HG LYS 34 1HG LYS 34 -15.556 -11.443 5.997 376 2HG LYS 34 2HG LYS 34 -15.939 -10.151 4.878 377 1HD LYS 34 1HD LYS 34 -13.628 -9.748 4.349 378 2HD LYS 34 2HD LYS 34 -13.063 -10.839 5.599 379 1HE LYS 34 1HE LYS 34 -12.897 -11.750 3.290 380 2HE LYS 34 2HE LYS 34 -13.778 -12.773 4.428 381 1HZ LYS 34 3HZ LYS 34 -15.196 -10.986 2.539 382 2HZ LYS 34 1HZ LYS 34 -14.803 -12.545 2.186 383 3HZ LYS 34 2HZ LYS 34 -15.806 -12.198 3.436 384 QB LYS 34 QB LYS 34 -15.176 -8.811 6.605 385 QG LYS 34 QG LYS 34 -15.748 -10.797 5.437 386 QD LYS 34 QD LYS 34 -13.346 -10.293 4.974 387 QE LYS 34 QE LYS 34 -13.338 -12.262 3.859 388 QZ LYS 34 QZ LYS 34 -15.269 -11.909 2.720 389 H ASN 35 H ASN 35 -12.315 -9.888 8.818 390 HA ASN 35 HA ASN 35 -11.946 -12.781 9.109 391 1HB ASN 35 1HB ASN 35 -11.050 -12.216 6.795 392 2HB ASN 35 2HB ASN 35 -10.038 -10.975 7.538 393 1HD2 ASN 35 2HD2 ASN 35 -7.765 -13.756 7.290 394 2HD2 ASN 35 1HD2 ASN 35 -8.209 -12.255 6.491 395 QB ASN 35 QB ASN 35 -10.544 -11.596 7.167 396 QD2 ASN 35 QD2 ASN 35 -7.987 -13.006 6.890 397 H LYS 36 H LYS 36 -11.691 -12.530 11.409 398 HA LYS 36 HA LYS 36 -9.817 -10.430 12.337 399 1HB LYS 36 1HB LYS 36 -11.413 -12.520 13.751 400 2HB LYS 36 2HB LYS 36 -10.073 -11.685 14.532 401 1HG LYS 36 1HG LYS 36 -11.246 -9.485 13.743 402 2HG LYS 36 2HG LYS 36 -12.658 -10.505 13.465 403 1HD LYS 36 1HD LYS 36 -12.841 -9.476 15.615 404 2HD LYS 36 2HD LYS 36 -12.540 -11.202 15.884 405 1HE LYS 36 1HE LYS 36 -10.086 -10.634 16.208 406 2HE LYS 36 2HE LYS 36 -10.502 -8.928 16.069 407 1HZ LYS 36 1HZ LYS 36 -11.544 -10.753 18.144 408 2HZ LYS 36 2HZ LYS 36 -10.280 -9.720 18.314 409 3HZ LYS 36 3HZ LYS 36 -11.774 -9.100 18.074 410 QB LYS 36 QB LYS 36 -10.743 -12.103 14.141 411 QG LYS 36 QG LYS 36 -11.952 -9.995 13.604 412 QD LYS 36 QD LYS 36 -12.690 -10.339 15.749 413 QE LYS 36 QE LYS 36 -10.294 -9.781 16.138 414 QZ LYS 36 QZ LYS 36 -11.199 -9.858 18.177 415 H GLU 37 H GLU 37 -8.269 -11.126 10.842 416 HA GLU 37 HA GLU 37 -7.159 -13.710 10.750 417 1HB GLU 37 1HB GLU 37 -7.256 -11.700 9.104 418 2HB GLU 37 2HB GLU 37 -5.801 -11.172 9.813 419 1HG GLU 37 1HG GLU 37 -6.248 -13.897 8.541 420 2HG GLU 37 2HG GLU 37 -5.577 -12.501 7.702 421 QB GLU 37 QB GLU 37 -6.529 -11.436 9.458 422 QG GLU 37 QG GLU 37 -5.912 -13.199 8.121 423 HA PRO 38 HA PRO 38 -5.485 -12.780 14.830 424 1HB PRO 38 1HB PRO 38 -4.289 -15.151 15.530 425 2HB PRO 38 2HB PRO 38 -6.055 -14.885 15.499 426 1HG PRO 38 1HG PRO 38 -4.325 -16.150 13.366 427 2HG PRO 38 2HG PRO 38 -5.898 -16.721 14.013 428 1HD PRO 38 1HD PRO 38 -5.693 -15.336 11.670 429 2HD PRO 38 2HD PRO 38 -7.084 -15.125 12.773 430 QB PRO 38 QB PRO 38 -5.172 -15.018 15.514 431 QG PRO 38 QG PRO 38 -5.111 -16.436 13.689 432 QD PRO 38 QD PRO 38 -6.389 -15.231 12.221 433 H GLY 39 H GLY 39 -3.790 -11.557 15.303 434 1HA GLY 39 1HA GLY 39 -1.566 -10.923 15.606 435 2HA GLY 39 2HA GLY 39 -1.026 -12.286 14.616 436 QA GLY 39 QA GLY 39 -1.296 -11.605 15.111 437 H ALA 40 H ALA 40 -3.196 -11.272 12.541 438 HA ALA 40 HA ALA 40 -1.546 -9.624 10.841 439 1HB ALA 40 3HB ALA 40 -3.397 -11.162 10.126 440 2HB ALA 40 1HB ALA 40 -4.525 -9.967 10.854 441 3HB ALA 40 2HB ALA 40 -3.518 -9.503 9.514 442 QB ALA 40 QB ALA 40 -3.813 -10.211 10.165 443 H GLU 41 H GLU 41 -3.216 -8.705 13.773 444 HA GLU 41 HA GLU 41 -4.463 -6.334 12.872 445 1HB GLU 41 1HB GLU 41 -4.529 -7.730 15.174 446 2HB GLU 41 2HB GLU 41 -3.248 -6.622 15.606 447 1HG GLU 41 1HG GLU 41 -5.145 -5.474 16.351 448 2HG GLU 41 2HG GLU 41 -4.911 -4.739 14.780 449 QB GLU 41 QB GLU 41 -3.888 -7.176 15.390 450 QG GLU 41 QG GLU 41 -5.028 -5.107 15.566 451 H GLU 42 H GLU 42 -1.094 -7.136 13.475 452 HA GLU 42 HA GLU 42 -0.144 -4.354 13.374 453 1HB GLU 42 1HB GLU 42 1.019 -6.265 14.499 454 2HB GLU 42 2HB GLU 42 1.325 -6.997 12.932 455 1HG GLU 42 1HG GLU 42 2.220 -4.193 13.735 456 2HG GLU 42 2HG GLU 42 3.205 -5.621 14.008 457 QB GLU 42 QB GLU 42 1.172 -6.631 13.716 458 QG GLU 42 QG GLU 42 2.712 -4.907 13.871 459 H LYS 43 H LYS 43 -0.357 -7.158 11.198 460 HA LYS 43 HA LYS 43 0.987 -5.950 9.097 461 1HB LYS 43 1HB LYS 43 0.151 -8.494 9.733 462 2HB LYS 43 2HB LYS 43 -0.887 -8.169 8.356 463 1HG LYS 43 1HG LYS 43 1.010 -7.595 6.956 464 2HG LYS 43 2HG LYS 43 2.115 -7.645 8.309 465 1HD LYS 43 1HD LYS 43 1.540 -10.148 8.536 466 2HD LYS 43 2HD LYS 43 0.684 -9.977 6.992 467 1HE LYS 43 1HE LYS 43 2.879 -10.723 6.411 468 2HE LYS 43 2HE LYS 43 2.828 -8.998 6.026 469 1HZ LYS 43 3HZ LYS 43 3.743 -9.105 8.609 470 2HZ LYS 43 1HZ LYS 43 4.480 -10.389 7.858 471 3HZ LYS 43 2HZ LYS 43 4.654 -8.874 7.260 472 QB LYS 43 QB LYS 43 -0.368 -8.331 9.045 473 QG LYS 43 QG LYS 43 1.562 -7.620 7.633 474 QD LYS 43 QD LYS 43 1.112 -10.063 7.764 475 QE LYS 43 QE LYS 43 2.853 -9.861 6.219 476 QZ LYS 43 QZ LYS 43 4.292 -9.456 7.909 477 H PHE 44 H PHE 44 -2.440 -6.320 9.608 478 HA PHE 44 HA PHE 44 -3.367 -5.109 7.156 479 1HB PHE 44 1HB PHE 44 -4.792 -6.459 8.695 480 2HB PHE 44 2HB PHE 44 -4.682 -5.226 9.925 481 HD1 PHE 44 1HD PHE 44 -5.637 -5.527 6.278 482 HD2 PHE 44 2HD PHE 44 -6.452 -3.649 10.076 483 HE1 PHE 44 1HE PHE 44 -7.667 -4.469 5.322 484 HE2 PHE 44 2HE PHE 44 -8.433 -2.534 9.085 485 1HZ PHE 44 HZ PHE 44 -9.070 -2.978 6.726 486 QB PHE 44 QB PHE 44 -4.737 -5.843 9.310 487 QG PHE 44 QD PHE 44 -6.045 -4.588 8.177 488 QZ PHE 44 QE PHE 44 -8.050 -3.502 7.204 489 QZ PHE 44 QR PHE 44 -7.452 -3.831 7.497 490 H LYS 45 H LYS 45 -2.628 -3.755 10.433 491 HA LYS 45 HA LYS 45 -3.247 -1.061 9.638 492 1HB LYS 45 1HB LYS 45 -1.558 -2.215 11.852 493 2HB LYS 45 2HB LYS 45 -1.678 -0.476 11.588 494 1HG LYS 45 1HG LYS 45 -4.308 -1.926 11.590 495 2HG LYS 45 2HG LYS 45 -3.479 -1.979 13.111 496 1HD LYS 45 1HD LYS 45 -4.056 0.581 11.588 497 2HD LYS 45 2HD LYS 45 -5.096 -0.072 12.848 498 1HE LYS 45 1HE LYS 45 -2.220 0.891 13.156 499 2HE LYS 45 2HE LYS 45 -3.672 1.714 13.729 500 1HZ LYS 45 1HZ LYS 45 -4.053 -0.145 15.238 501 2HZ LYS 45 2HZ LYS 45 -2.690 -0.905 14.704 502 3HZ LYS 45 3HZ LYS 45 -2.534 0.512 15.475 503 QB LYS 45 QB LYS 45 -1.618 -1.345 11.720 504 QG LYS 45 QG LYS 45 -3.894 -1.953 12.351 505 QD LYS 45 QD LYS 45 -4.576 0.255 12.218 506 QE LYS 45 QE LYS 45 -2.946 1.302 13.442 507 QZ LYS 45 QZ LYS 45 -3.093 -0.179 15.139 508 H GLU 46 H GLU 46 -0.346 -3.082 9.194 509 HA GLU 46 HA GLU 46 1.200 -1.037 7.962 510 1HB GLU 46 1HB GLU 46 1.481 -3.701 8.713 511 2HB GLU 46 2HB GLU 46 1.779 -3.741 6.989 512 1HG GLU 46 1HG GLU 46 3.145 -1.576 8.570 513 2HG GLU 46 2HG GLU 46 3.637 -3.217 8.915 514 QB GLU 46 QB GLU 46 1.630 -3.721 7.851 515 QG GLU 46 QG GLU 46 3.391 -2.397 8.743 516 H ILE 47 H ILE 47 -1.201 -3.357 6.690 517 HA ILE 47 HA ILE 47 -1.032 -2.743 3.919 518 HB ILE 47 HB ILE 47 -3.509 -3.456 5.545 519 1HG1 ILE 47 1HG1 ILE 47 -1.623 -5.125 5.155 520 2HG1 ILE 47 2HG1 ILE 47 -3.294 -5.604 4.852 521 1HG2 ILE 47 2HG2 ILE 47 -3.408 -2.990 2.584 522 2HG2 ILE 47 3HG2 ILE 47 -4.695 -3.871 3.445 523 3HG2 ILE 47 1HG2 ILE 47 -4.416 -2.168 3.788 524 1HD1 ILE 47 3HD1 ILE 47 -1.394 -4.663 2.696 525 2HD1 ILE 47 1HD1 ILE 47 -1.669 -6.365 3.145 526 3HD1 ILE 47 2HD1 ILE 47 -3.009 -5.402 2.499 527 QG1 ILE 47 QG1 ILE 47 -2.459 -5.365 5.004 528 QG2 ILE 47 QG2 ILE 47 -4.173 -3.010 3.272 529 QD1 ILE 47 QD1 ILE 47 -2.024 -5.477 2.780 530 H ALA 48 H ALA 48 -3.034 -1.202 6.498 531 HA ALA 48 HA ALA 48 -4.156 0.841 4.997 532 1HB ALA 48 1HB ALA 48 -4.717 0.194 7.335 533 2HB ALA 48 2HB ALA 48 -3.284 1.048 7.884 534 3HB ALA 48 3HB ALA 48 -4.580 1.949 7.080 535 QB ALA 48 QB ALA 48 -4.194 1.064 7.433 536 H GLU 49 H GLU 49 -1.028 0.706 6.641 537 HA GLU 49 HA GLU 49 -0.413 3.447 6.338 538 1HB GLU 49 1HB GLU 49 0.679 1.759 7.913 539 2HB GLU 49 2HB GLU 49 1.640 1.198 6.529 540 1HG GLU 49 1HG GLU 49 2.501 3.519 6.241 541 2HG GLU 49 2HG GLU 49 1.560 4.044 7.639 542 QB GLU 49 QB GLU 49 1.159 1.478 7.221 543 QG GLU 49 QG GLU 49 2.030 3.782 6.940 544 H ALA 50 H ALA 50 0.253 0.658 4.240 545 HA ALA 50 HA ALA 50 1.502 2.317 2.176 546 1HB ALA 50 1HB ALA 50 2.117 -0.079 2.515 547 2HB ALA 50 2HB ALA 50 0.469 -0.553 2.058 548 3HB ALA 50 3HB ALA 50 1.527 0.240 0.871 549 QB ALA 50 QB ALA 50 1.371 -0.131 1.814 550 H TYR 51 H TYR 51 -1.704 1.175 2.972 551 HA TYR 51 HA TYR 51 -3.050 1.346 0.506 552 1HB TYR 51 1HB TYR 51 -3.726 0.439 2.892 553 2HB TYR 51 2HB TYR 51 -4.336 2.049 3.166 554 HD1 TYR 51 1HD TYR 51 -4.619 -1.079 1.250 555 HD2 TYR 51 2HD TYR 51 -6.537 2.613 2.367 556 HE1 TYR 51 1HE TYR 51 -6.804 -2.020 0.547 557 HE2 TYR 51 2HE TYR 51 -8.718 1.689 1.699 558 HH TYR 51 HH TYR 51 -9.827 -0.219 1.213 559 QB TYR 51 QB TYR 51 -4.031 1.244 3.029 560 QG TYR 51 QD TYR 51 -5.578 0.767 1.808 561 QZ TYR 51 QE TYR 51 -7.761 -0.165 1.123 562 QR TYR 51 QR TYR 51 -6.669 0.301 1.466 563 H ASP 52 H ASP 52 -2.625 3.700 3.166 564 HA ASP 52 HA ASP 52 -3.865 5.997 2.123 565 1HB ASP 52 1HB ASP 52 -3.008 5.861 4.400 566 2HB ASP 52 2HB ASP 52 -1.356 5.660 3.810 567 QB ASP 52 QB ASP 52 -2.182 5.760 4.105 568 H VAL 53 H VAL 53 -0.395 5.131 1.943 569 HA VAL 53 HA VAL 53 0.338 7.270 0.332 570 HB VAL 53 HB VAL 53 1.567 4.511 0.817 571 1HG1 VAL 53 2HG1 VAL 53 2.715 6.833 -0.750 572 2HG1 VAL 53 3HG1 VAL 53 3.728 5.560 -0.007 573 3HG1 VAL 53 1HG1 VAL 53 2.544 5.135 -1.238 574 1HG2 VAL 53 1HG2 VAL 53 1.972 7.269 1.985 575 2HG2 VAL 53 2HG2 VAL 53 1.422 5.825 2.813 576 3HG2 VAL 53 3HG2 VAL 53 3.103 5.918 2.278 577 QG1 VAL 53 QG1 VAL 53 2.996 5.843 -0.665 578 QG2 VAL 53 QG2 VAL 53 2.166 6.338 2.359 579 QQG VAL 53 QQG VAL 53 2.581 6.090 0.847 580 H LEU 54 H LEU 54 -0.484 3.902 -0.696 581 HA LEU 54 HA LEU 54 0.194 4.521 -3.428 582 1HB LEU 54 1HB LEU 54 -1.099 2.173 -1.996 583 2HB LEU 54 2HB LEU 54 -0.843 2.240 -3.726 584 HG LEU 54 HG LEU 54 1.506 2.718 -1.915 585 1HD1 LEU 54 2HD1 LEU 54 0.489 0.565 -1.224 586 2HD1 LEU 54 3HD1 LEU 54 0.622 -0.024 -2.908 587 3HD1 LEU 54 1HD1 LEU 54 2.071 0.366 -1.965 588 1HD2 LEU 54 2HD2 LEU 54 1.580 3.185 -4.406 589 2HD2 LEU 54 3HD2 LEU 54 2.774 1.995 -3.868 590 3HD2 LEU 54 1HD2 LEU 54 1.307 1.454 -4.685 591 QB LEU 54 QB LEU 54 -0.971 2.206 -2.861 592 QD1 LEU 54 QD1 LEU 54 1.060 0.303 -2.032 593 QD2 LEU 54 QD2 LEU 54 1.887 2.211 -4.320 594 QQD LEU 54 QQD LEU 54 1.474 1.257 -3.176 595 H SER 55 H SER 55 -2.703 4.968 -1.483 596 HA SER 55 HA SER 55 -4.357 5.391 -3.872 597 1HB SER 55 1HB SER 55 -6.065 6.100 -2.430 598 2HB SER 55 2HB SER 55 -5.328 4.677 -1.697 599 HG SER 55 HG SER 55 -4.055 6.374 -0.434 600 QB SER 55 QB SER 55 -5.697 5.388 -2.063 601 H ASP 56 H ASP 56 -2.091 7.228 -1.865 602 HA ASP 56 HA ASP 56 -3.105 9.803 -2.858 603 1HB ASP 56 1HB ASP 56 -3.301 9.448 -0.492 604 2HB ASP 56 2HB ASP 56 -1.593 8.991 -0.372 605 QB ASP 56 QB ASP 56 -2.447 9.219 -0.432 606 HA PRO 57 HA PRO 57 0.909 9.423 -5.021 607 1HB PRO 57 1HB PRO 57 0.466 11.164 -7.066 608 2HB PRO 57 2HB PRO 57 -0.226 9.516 -7.038 609 1HG PRO 57 1HG PRO 57 -1.550 12.084 -6.164 610 2HG PRO 57 2HG PRO 57 -2.200 10.844 -7.288 611 1HD PRO 57 1HD PRO 57 -2.889 10.862 -4.674 612 2HD PRO 57 2HD PRO 57 -2.582 9.311 -5.518 613 QB PRO 57 QB PRO 57 0.120 10.340 -7.052 614 QG PRO 57 QG PRO 57 -1.875 11.464 -6.726 615 QD PRO 57 QD PRO 57 -2.736 10.086 -5.096 616 H ARG 58 H ARG 58 -0.671 12.194 -3.501 617 HA ARG 58 HA ARG 58 1.525 14.072 -3.915 618 1HB ARG 58 1HB ARG 58 -0.673 14.000 -1.832 619 2HB ARG 58 2HB ARG 58 0.448 15.331 -2.062 620 1HG ARG 58 1HG ARG 58 -1.384 14.311 -4.289 621 2HG ARG 58 2HG ARG 58 -1.876 15.503 -3.116 622 1HD ARG 58 1HD ARG 58 0.549 15.839 -4.930 623 2HD ARG 58 2HD ARG 58 -1.044 16.461 -5.322 624 HE ARG 58 HE ARG 58 0.892 17.574 -3.552 625 1HH1 ARG 58 2HH2 ARG 58 -2.671 17.405 -4.015 626 2HH1 ARG 58 1HH2 ARG 58 -2.990 18.669 -2.864 627 1HH2 ARG 58 2HH1 ARG 58 0.414 19.557 -2.454 628 2HH2 ARG 58 1HH1 ARG 58 -1.195 19.986 -2.052 629 QB ARG 58 QB ARG 58 -0.112 14.666 -1.947 630 QG ARG 58 QG ARG 58 -1.630 14.907 -3.702 631 QD ARG 58 QD ARG 58 -0.248 16.150 -5.126 632 QH1 ARG 58 QH2 ARG 58 -2.831 18.037 -3.440 633 QH2 ARG 58 QH1 ARG 58 -0.391 19.772 -2.253 634 H LYS 59 H LYS 59 0.651 11.562 -1.513 635 HA LYS 59 HA LYS 59 2.950 12.166 0.195 636 1HB LYS 59 1HB LYS 59 0.767 10.943 0.832 637 2HB LYS 59 2HB LYS 59 1.422 9.516 0.044 638 1HG LYS 59 1HG LYS 59 2.556 11.051 2.402 639 2HG LYS 59 2HG LYS 59 1.712 9.521 2.469 640 1HD LYS 59 1HD LYS 59 3.709 8.512 2.492 641 2HD LYS 59 2HD LYS 59 3.867 8.917 0.801 642 1HE LYS 59 1HE LYS 59 5.847 9.726 1.808 643 2HE LYS 59 2HE LYS 59 4.858 11.187 1.658 644 1HZ LYS 59 3HZ LYS 59 5.047 9.497 4.089 645 2HZ LYS 59 1HZ LYS 59 5.862 10.912 3.901 646 3HZ LYS 59 2HZ LYS 59 4.213 10.885 3.993 647 QB LYS 59 QB LYS 59 1.094 10.229 0.438 648 QG LYS 59 QG LYS 59 2.134 10.286 2.436 649 QD LYS 59 QD LYS 59 3.788 8.714 1.647 650 QE LYS 59 QE LYS 59 5.352 10.456 1.733 651 QZ LYS 59 QZ LYS 59 5.041 10.432 3.994 652 H ARG 60 H ARG 60 2.080 9.619 -2.262 653 HA ARG 60 HA ARG 60 4.549 8.386 -2.262 654 1HB ARG 60 1HB ARG 60 2.130 7.922 -3.449 655 2HB ARG 60 2HB ARG 60 3.044 8.495 -4.859 656 1HG ARG 60 1HG ARG 60 4.816 6.800 -4.351 657 2HG ARG 60 2HG ARG 60 3.902 6.364 -2.890 658 1HD ARG 60 1HD ARG 60 3.501 4.685 -4.516 659 2HD ARG 60 2HD ARG 60 2.009 5.635 -4.360 660 HE ARG 60 HE ARG 60 3.182 6.904 -6.439 661 1HH1 ARG 60 2HH2 ARG 60 2.701 3.423 -5.894 662 2HH1 ARG 60 1HH2 ARG 60 2.354 3.077 -7.548 663 1HH2 ARG 60 2HH1 ARG 60 2.850 6.427 -8.635 664 2HH2 ARG 60 1HH1 ARG 60 2.366 4.846 -9.113 665 QB ARG 60 QB ARG 60 2.587 8.208 -4.154 666 QG ARG 60 QG ARG 60 4.359 6.582 -3.621 667 QD ARG 60 QD ARG 60 2.755 5.160 -4.438 668 QH1 ARG 60 QH2 ARG 60 2.527 3.250 -6.721 669 QH2 ARG 60 QH1 ARG 60 2.608 5.637 -8.874 670 H GLU 61 H GLU 61 3.894 11.533 -3.651 671 HA GLU 61 HA GLU 61 5.542 11.568 -5.791 672 1HB GLU 61 1HB GLU 61 3.901 13.276 -4.457 673 2HB GLU 61 2HB GLU 61 5.403 13.955 -3.912 674 1HG GLU 61 1HG GLU 61 5.935 14.730 -6.081 675 2HG GLU 61 2HG GLU 61 4.971 13.467 -6.866 676 QB GLU 61 QB GLU 61 4.652 13.615 -4.185 677 QG GLU 61 QG GLU 61 5.453 14.099 -6.473 678 H ILE 62 H ILE 62 6.542 11.651 -2.424 679 HA ILE 62 HA ILE 62 9.337 12.329 -2.912 680 HB ILE 62 HB ILE 62 7.884 10.990 -0.576 681 1HG1 ILE 62 1HG1 ILE 62 8.746 13.851 -1.143 682 2HG1 ILE 62 2HG1 ILE 62 7.107 13.249 -0.936 683 1HG2 ILE 62 2HG2 ILE 62 10.308 10.375 -0.570 684 2HG2 ILE 62 3HG2 ILE 62 10.717 12.107 -0.603 685 3HG2 ILE 62 1HG2 ILE 62 9.889 11.398 0.783 686 1HD1 ILE 62 2HD1 ILE 62 7.612 12.715 1.451 687 2HD1 ILE 62 3HD1 ILE 62 9.202 13.502 1.250 688 3HD1 ILE 62 1HD1 ILE 62 7.729 14.440 1.039 689 QG1 ILE 62 QG1 ILE 62 7.926 13.550 -1.039 690 QG2 ILE 62 QG2 ILE 62 10.305 11.293 -0.130 691 QD1 ILE 62 QD1 ILE 62 8.181 13.552 1.247 692 H PHE 63 H PHE 63 7.411 9.340 -2.530 693 HA PHE 63 HA PHE 63 9.658 7.550 -2.556 694 1HB PHE 63 1HB PHE 63 7.371 7.131 -1.561 695 2HB PHE 63 2HB PHE 63 6.744 6.973 -3.191 696 HD1 PHE 63 2HD PHE 63 7.664 5.111 -4.713 697 HD2 PHE 63 1HD PHE 63 8.590 5.374 -0.497 698 HE1 PHE 63 2HE PHE 63 8.326 2.736 -4.699 699 HE2 PHE 63 1HE PHE 63 9.270 3.022 -0.501 700 1HZ PHE 63 HZ PHE 63 9.060 1.652 -2.598 701 QB PHE 63 QB PHE 63 7.057 7.052 -2.376 702 QG PHE 63 QD PHE 63 8.127 5.243 -2.605 703 QZ PHE 63 QE PHE 63 8.798 2.879 -2.600 704 QZ PHE 63 QR PHE 63 8.582 3.579 -2.602 705 H ASP 64 H ASP 64 7.345 8.658 -5.056 706 HA ASP 64 HA ASP 64 8.337 7.126 -7.210 707 1HB ASP 64 1HB ASP 64 6.063 8.336 -6.947 708 2HB ASP 64 2HB ASP 64 6.920 9.804 -7.390 709 QB ASP 64 QB ASP 64 6.492 9.070 -7.168 710 H ARG 65 H ARG 65 9.965 9.442 -5.619 711 HA ARG 65 HA ARG 65 11.446 10.543 -7.973 712 1HB ARG 65 1HB ARG 65 10.421 12.269 -6.964 713 2HB ARG 65 2HB ARG 65 10.546 11.631 -5.355 714 1HG ARG 65 1HG ARG 65 12.866 12.226 -5.152 715 2HG ARG 65 2HG ARG 65 12.918 12.795 -6.830 716 1HD ARG 65 1HD ARG 65 10.974 13.931 -4.751 717 2HD ARG 65 2HD ARG 65 12.598 14.572 -4.999 718 HE ARG 65 HE ARG 65 12.082 15.387 -7.069 719 1HH1 ARG 65 2HH2 ARG 65 9.061 13.726 -5.872 720 2HH1 ARG 65 1HH2 ARG 65 8.128 14.455 -7.118 721 1HH2 ARG 65 2HH1 ARG 65 10.676 16.328 -8.611 722 2HH2 ARG 65 1HH1 ARG 65 9.000 15.903 -8.620 723 QB ARG 65 QB ARG 65 10.483 11.950 -6.160 724 QG ARG 65 QG ARG 65 12.892 12.511 -5.991 725 QD ARG 65 QD ARG 65 11.786 14.251 -4.875 726 QH1 ARG 65 QH2 ARG 65 8.594 14.090 -6.495 727 QH2 ARG 65 QH1 ARG 65 9.838 16.115 -8.615 728 H TYR 66 H TYR 66 11.759 9.479 -4.617 729 HA TYR 66 HA TYR 66 14.583 8.728 -5.119 730 1HB TYR 66 1HB TYR 66 13.016 8.414 -2.571 731 2HB TYR 66 2HB TYR 66 14.770 8.226 -2.828 732 HD1 TYR 66 1HD TYR 66 16.026 10.310 -3.856 733 HD2 TYR 66 2HD TYR 66 12.188 10.500 -1.906 734 HE1 TYR 66 1HE TYR 66 16.274 12.736 -3.629 735 HE2 TYR 66 2HE TYR 66 12.395 12.951 -1.731 736 HH TYR 66 HH TYR 66 15.305 14.700 -2.827 737 QB TYR 66 QB TYR 66 13.893 8.320 -2.700 738 QG TYR 66 QD TYR 66 14.107 10.405 -2.881 739 QZ TYR 66 QE TYR 66 14.334 12.843 -2.680 740 QR TYR 66 QR TYR 66 14.221 11.624 -2.780 741 H GLY 67 H GLY 67 12.229 6.734 -3.352 742 1HA GLY 67 1HA GLY 67 11.178 4.767 -4.054 743 2HA GLY 67 2HA GLY 67 12.236 4.677 -5.458 744 QA GLY 67 QA GLY 67 11.707 4.722 -4.756 745 H GLU 68 H GLU 68 11.806 3.865 -2.149 746 HA GLU 68 HA GLU 68 12.636 2.548 -0.666 747 1HB GLU 68 1HB GLU 68 12.928 0.980 -2.584 748 2HB GLU 68 2HB GLU 68 14.592 1.529 -2.729 749 1HG GLU 68 1HG GLU 68 13.974 0.748 0.044 750 2HG GLU 68 2HG GLU 68 13.566 -0.523 -1.088 751 QB GLU 68 QB GLU 68 13.760 1.255 -2.657 752 QG GLU 68 QG GLU 68 13.770 0.113 -0.522 753 H GLU 69 H GLU 69 13.891 2.808 1.008 754 HA GLU 69 HA GLU 69 15.022 3.855 2.536 755 1HB GLU 69 1HB GLU 69 16.903 2.666 1.539 756 2HB GLU 69 2HB GLU 69 17.284 4.071 0.540 757 1HG GLU 69 1HG GLU 69 17.105 4.222 3.578 758 2HG GLU 69 2HG GLU 69 18.561 3.682 2.768 759 QB GLU 69 QB GLU 69 17.094 3.368 1.040 760 QG GLU 69 QG GLU 69 17.833 3.952 3.173 761 H GLY 70 H GLY 70 15.228 5.618 -0.499 762 1HA GLY 70 1HA GLY 70 15.470 8.242 -0.146 763 2HA GLY 70 2HA GLY 70 14.110 7.518 -0.985 764 QA GLY 70 QA GLY 70 14.790 7.880 -0.566 765 H LEU 71 H LEU 71 12.451 6.573 0.745 766 HA LEU 71 HA LEU 71 11.312 9.032 1.868 767 1HB LEU 71 1HB LEU 71 9.928 7.470 0.546 768 2HB LEU 71 2HB LEU 71 10.248 6.179 1.711 769 HG LEU 71 HG LEU 71 9.049 7.420 3.463 770 1HD1 LEU 71 1HD1 LEU 71 8.477 9.506 1.306 771 2HD1 LEU 71 2HD1 LEU 71 7.729 9.441 2.919 772 3HD1 LEU 71 3HD1 LEU 71 9.446 9.764 2.777 773 1HD2 LEU 71 1HD2 LEU 71 7.806 5.897 1.975 774 2HD2 LEU 71 2HD2 LEU 71 6.784 7.263 2.467 775 3HD2 LEU 71 3HD2 LEU 71 7.491 7.231 0.841 776 QB LEU 71 QB LEU 71 10.088 6.825 1.128 777 QD1 LEU 71 QD1 LEU 71 8.551 9.570 2.334 778 QD2 LEU 71 QD2 LEU 71 7.360 6.797 1.761 779 QQD LEU 71 QQD LEU 71 7.956 8.184 2.048 780 H LYS 72 H LYS 72 12.459 9.601 3.634 781 HA LYS 72 HA LYS 72 12.902 7.608 5.818 782 1HB LYS 72 1HB LYS 72 14.889 8.203 4.282 783 2HB LYS 72 2HB LYS 72 14.892 9.776 5.047 784 1HG LYS 72 1HG LYS 72 15.072 7.171 6.638 785 2HG LYS 72 2HG LYS 72 16.473 7.917 5.878 786 1HD LYS 72 1HD LYS 72 16.014 10.022 7.202 787 2HD LYS 72 2HD LYS 72 14.727 9.148 8.042 788 1HE LYS 72 1HE LYS 72 16.713 9.165 9.397 789 2HE LYS 72 2HE LYS 72 16.344 7.507 8.901 790 1HZ LYS 72 2HZ LYS 72 18.347 9.226 7.563 791 2HZ LYS 72 3HZ LYS 72 18.716 8.178 8.757 792 3HZ LYS 72 1HZ LYS 72 18.143 7.627 7.300 793 QB LYS 72 QB LYS 72 14.891 8.989 4.664 794 QG LYS 72 QG LYS 72 15.772 7.544 6.258 795 QD LYS 72 QD LYS 72 15.371 9.585 7.622 796 QE LYS 72 QE LYS 72 16.529 8.336 9.149 797 QZ LYS 72 QZ LYS 72 18.402 8.344 7.873 798 H GLY 73 H GLY 73 10.725 8.620 6.238 799 1HA GLY 73 1HA GLY 73 11.109 10.874 8.123 800 2HA GLY 73 2HA GLY 73 9.770 10.948 6.961 801 QA GLY 73 QA GLY 73 10.439 10.911 7.542 802 H SER 74 H SER 74 7.907 10.174 7.781 803 HA SER 74 HA SER 74 6.325 8.998 8.724 804 1HB SER 74 1HB SER 74 6.507 6.626 9.080 805 2HB SER 74 2HB SER 74 7.307 7.073 7.582 806 HG SER 74 HG SER 74 9.265 7.185 9.056 807 QB SER 74 QB SER 74 6.907 6.850 8.331 808 H GLY 75 H GLY 75 8.701 10.264 10.647 809 1HA GLY 75 1HA GLY 75 7.193 10.254 12.993 810 2HA GLY 75 2HA GLY 75 8.269 8.859 13.121 811 QA GLY 75 QA GLY 75 7.731 9.556 13.057 812 H CYS 76 H CYS 76 10.580 9.205 13.066 813 HA CYS 76 HA CYS 76 11.504 11.988 13.577 814 1HB CYS 76 1HB CYS 76 12.187 9.480 15.180 815 2HB CYS 76 2HB CYS 76 13.068 11.010 15.244 816 HG CYS 76 HG CYS 76 10.830 12.457 15.697 817 QB CYS 76 QB CYS 76 12.627 10.245 15.212 No H/Q in entry = 817 Start of MODEL 11 1 H MET 0 H MET 0 12.628 -6.592 6.573 2 HA MET 0 HA MET 0 12.417 -4.370 5.709 3 1HB MET 0 1HB MET 0 15.331 -5.292 5.725 4 2HB MET 0 2HB MET 0 14.792 -3.608 5.712 5 1HG MET 0 1HG MET 0 15.281 -4.079 7.938 6 2HG MET 0 2HG MET 0 13.533 -3.971 7.791 7 1HE MET 0 1HE MET 0 12.537 -5.030 9.604 8 2HE MET 0 2HE MET 0 13.095 -6.492 10.439 9 3HE MET 0 3HE MET 0 14.088 -5.014 10.464 10 QB MET 0 QB MET 0 15.062 -4.450 5.719 11 QG MET 0 QG MET 0 14.407 -4.025 7.865 12 QE MET 0 QE MET 0 13.240 -5.512 10.169 13 H GLY 1 H GLY 1 14.408 -3.155 3.875 14 1HA GLY 1 1HA GLY 1 14.268 -2.434 1.733 15 2HA GLY 1 2HA GLY 1 14.131 -4.131 1.255 16 QA GLY 1 QA GLY 1 14.199 -3.282 1.494 17 H LYS 2 H LYS 2 11.864 -2.217 3.310 18 HA LYS 2 HA LYS 2 9.687 -3.545 1.869 19 1HB LYS 2 1HB LYS 2 9.939 -2.015 4.452 20 2HB LYS 2 2HB LYS 2 8.341 -2.270 3.728 21 1HG LYS 2 1HG LYS 2 8.510 -4.620 3.771 22 2HG LYS 2 2HG LYS 2 10.258 -4.606 3.954 23 1HD LYS 2 1HD LYS 2 9.164 -5.362 5.951 24 2HD LYS 2 2HD LYS 2 10.100 -3.883 6.259 25 1HE LYS 2 1HE LYS 2 8.107 -2.545 6.363 26 2HE LYS 2 2HE LYS 2 7.118 -3.854 5.692 27 1HZ LYS 2 3HZ LYS 2 8.455 -4.081 8.308 28 2HZ LYS 2 1HZ LYS 2 6.898 -3.588 8.079 29 3HZ LYS 2 2HZ LYS 2 7.347 -5.095 7.619 30 QB LYS 2 QB LYS 2 9.140 -2.142 4.090 31 QG LYS 2 QG LYS 2 9.384 -4.613 3.863 32 QD LYS 2 QD LYS 2 9.632 -4.623 6.105 33 QE LYS 2 QE LYS 2 7.612 -3.200 6.028 34 QZ LYS 2 QZ LYS 2 7.567 -4.255 8.002 35 H ASP 3 H ASP 3 9.639 -2.700 -0.100 36 HA ASP 3 HA ASP 3 9.764 -0.035 -0.807 37 1HB ASP 3 1HB ASP 3 8.290 -2.091 -2.463 38 2HB ASP 3 2HB ASP 3 9.233 -0.715 -3.021 39 QB ASP 3 QB ASP 3 8.762 -1.403 -2.742 40 H TYR 4 H TYR 4 7.233 -1.115 0.953 41 HA TYR 4 HA TYR 4 5.055 -0.757 1.276 42 1HB TYR 4 1HB TYR 4 5.218 1.620 -0.610 43 2HB TYR 4 2HB TYR 4 3.977 1.287 0.571 44 HD1 TYR 4 1HD TYR 4 4.543 1.383 3.071 45 HD2 TYR 4 2HD TYR 4 7.332 2.560 -0.009 46 HE1 TYR 4 1HE TYR 4 6.019 2.385 4.791 47 HE2 TYR 4 2HE TYR 4 8.819 3.537 1.703 48 HH TYR 4 HH TYR 4 9.240 3.029 4.138 49 QB TYR 4 QB TYR 4 4.597 1.453 -0.019 50 QG TYR 4 QD TYR 4 5.938 1.972 1.531 51 QZ TYR 4 QE TYR 4 7.419 2.961 3.247 52 QR TYR 4 QR TYR 4 6.678 2.466 2.389 53 H TYR 5 H TYR 5 5.495 0.007 -2.172 54 HA TYR 5 HA TYR 5 3.368 -1.218 -3.473 55 1HB TYR 5 1HB TYR 5 6.306 -0.779 -4.063 56 2HB TYR 5 2HB TYR 5 5.329 -1.745 -5.153 57 HD1 TYR 5 1HD TYR 5 5.681 1.688 -3.695 58 HD2 TYR 5 2HD TYR 5 3.616 -0.845 -6.510 59 HE1 TYR 5 1HE TYR 5 4.679 3.685 -4.765 60 HE2 TYR 5 2HE TYR 5 2.578 1.119 -7.534 61 HH TYR 5 HH TYR 5 2.928 3.387 -7.811 62 QB TYR 5 QB TYR 5 5.818 -1.262 -4.608 63 QG TYR 5 QD TYR 5 4.648 0.421 -5.102 64 QZ TYR 5 QE TYR 5 3.628 2.402 -6.150 65 QR TYR 5 QR TYR 5 4.138 1.412 -5.626 66 H GLN 6 H GLN 6 6.539 -2.773 -2.742 67 HA GLN 6 HA GLN 6 5.574 -5.290 -3.540 68 1HB GLN 6 1HB GLN 6 8.018 -4.379 -3.240 69 2HB GLN 6 2HB GLN 6 7.842 -4.886 -1.562 70 1HG GLN 6 1HG GLN 6 8.909 -6.709 -2.600 71 2HG GLN 6 2HG GLN 6 7.231 -7.237 -2.541 72 1HE2 GLN 6 2HE2 GLN 6 9.115 -6.299 -6.130 73 2HE2 GLN 6 1HE2 GLN 6 9.857 -6.074 -4.572 74 QB GLN 6 QB GLN 6 7.930 -4.633 -2.401 75 QG GLN 6 QG GLN 6 8.070 -6.973 -2.570 76 QE2 GLN 6 QE2 GLN 6 9.486 -6.186 -5.351 77 H THR 7 H THR 7 5.430 -3.708 -0.312 78 HA THR 7 HA THR 7 4.802 -6.133 1.089 79 HB THR 7 HB THR 7 3.939 -3.310 1.862 80 HG1 THR 7 1HG THR 7 5.904 -3.208 3.001 81 1HG2 THR 7 3HG2 THR 7 4.634 -5.773 3.532 82 2HG2 THR 7 1HG2 THR 7 4.208 -4.183 4.187 83 3HG2 THR 7 2HG2 THR 7 3.013 -5.091 3.287 84 QG2 THR 7 QG2 THR 7 3.952 -5.016 3.669 85 H LEU 8 H LEU 8 2.973 -3.962 -0.906 86 HA LEU 8 HA LEU 8 0.441 -5.332 -0.249 87 1HB LEU 8 1HB LEU 8 0.855 -2.745 -0.788 88 2HB LEU 8 2HB LEU 8 0.766 -3.317 -2.451 89 HG LEU 8 HG LEU 8 -1.501 -4.379 -1.832 90 1HD1 LEU 8 3HD1 LEU 8 -1.167 -2.590 0.627 91 2HD1 LEU 8 1HD1 LEU 8 -2.655 -3.427 0.138 92 3HD1 LEU 8 2HD1 LEU 8 -1.245 -4.356 0.659 93 1HD2 LEU 8 2HD2 LEU 8 -1.280 -2.219 -3.057 94 2HD2 LEU 8 3HD2 LEU 8 -2.683 -2.267 -2.013 95 3HD2 LEU 8 1HD2 LEU 8 -1.284 -1.359 -1.494 96 QB LEU 8 QB LEU 8 0.811 -3.031 -1.619 97 QD1 LEU 8 QD1 LEU 8 -1.689 -3.458 0.475 98 QD2 LEU 8 QD2 LEU 8 -1.749 -1.948 -2.188 99 QQD LEU 8 QQD LEU 8 -1.719 -2.703 -0.857 100 H GLY 9 H GLY 9 3.108 -5.752 -2.379 101 1HA GLY 9 1HA GLY 9 3.567 -7.487 -3.753 102 2HA GLY 9 2HA GLY 9 1.906 -8.073 -3.628 103 QA GLY 9 QA GLY 9 2.737 -7.780 -3.691 104 H LEU 10 H LEU 10 3.908 -5.500 -5.032 105 HA LEU 10 HA LEU 10 2.167 -5.325 -7.470 106 1HB LEU 10 1HB LEU 10 3.152 -3.146 -5.602 107 2HB LEU 10 2HB LEU 10 2.748 -2.770 -7.259 108 HG LEU 10 HG LEU 10 0.708 -4.189 -5.529 109 1HD1 LEU 10 1HD1 LEU 10 1.221 -1.209 -5.742 110 2HD1 LEU 10 2HD1 LEU 10 -0.199 -1.981 -4.991 111 3HD1 LEU 10 3HD1 LEU 10 1.421 -2.235 -4.305 112 1HD2 LEU 10 1HD2 LEU 10 0.608 -2.379 -7.990 113 2HD2 LEU 10 2HD2 LEU 10 0.266 -4.122 -7.937 114 3HD2 LEU 10 3HD2 LEU 10 -0.809 -2.978 -7.123 115 QB LEU 10 QB LEU 10 2.950 -2.958 -6.431 116 QD1 LEU 10 QD1 LEU 10 0.814 -1.808 -5.013 117 QD2 LEU 10 QD2 LEU 10 0.021 -3.160 -7.684 118 QQD LEU 10 QQD LEU 10 0.418 -2.484 -6.348 119 H ALA 11 H ALA 11 3.237 -3.945 -9.197 120 HA ALA 11 HA ALA 11 6.085 -4.482 -9.633 121 1HB ALA 11 2HB ALA 11 3.945 -2.762 -10.987 122 2HB ALA 11 3HB ALA 11 5.613 -2.827 -11.553 123 3HB ALA 11 1HB ALA 11 4.648 -4.301 -11.563 124 QB ALA 11 QB ALA 11 4.735 -3.296 -11.368 125 H ARG 12 H ARG 12 7.476 -2.580 -10.177 126 HA ARG 12 HA ARG 12 7.569 -0.594 -8.018 127 1HB ARG 12 1HB ARG 12 9.190 -0.791 -10.599 128 2HB ARG 12 2HB ARG 12 9.468 0.336 -9.289 129 1HG ARG 12 1HG ARG 12 10.848 -1.159 -8.357 130 2HG ARG 12 2HG ARG 12 9.434 -2.125 -7.953 131 1HD ARG 12 1HD ARG 12 10.872 -3.618 -9.138 132 2HD ARG 12 2HD ARG 12 9.613 -3.163 -10.281 133 HE ARG 12 HE ARG 12 11.165 -2.138 -11.615 134 1HH1 ARG 12 2HH2 ARG 12 12.681 -2.644 -8.419 135 2HH1 ARG 12 1HH2 ARG 12 14.123 -1.791 -8.883 136 1HH2 ARG 12 2HH1 ARG 12 13.060 -1.320 -12.246 137 2HH2 ARG 12 1HH1 ARG 12 14.474 -1.222 -11.245 138 QB ARG 12 QB ARG 12 9.329 -0.228 -9.944 139 QG ARG 12 QG ARG 12 10.141 -1.642 -8.155 140 QD ARG 12 QD ARG 12 10.243 -3.390 -9.710 141 QH1 ARG 12 QH2 ARG 12 13.402 -2.217 -8.651 142 QH2 ARG 12 QH1 ARG 12 13.767 -1.271 -11.746 143 H GLY 13 H GLY 13 6.190 1.037 -8.014 144 1HA GLY 13 1HA GLY 13 5.378 3.090 -8.665 145 2HA GLY 13 2HA GLY 13 5.905 2.803 -10.329 146 QA GLY 13 QA GLY 13 5.642 2.947 -9.497 147 H ALA 14 H ALA 14 4.682 0.382 -10.834 148 HA ALA 14 HA ALA 14 2.762 -0.572 -11.643 149 1HB ALA 14 3HB ALA 14 2.544 -0.855 -9.123 150 2HB ALA 14 1HB ALA 14 1.311 0.440 -9.224 151 3HB ALA 14 2HB ALA 14 1.127 -1.060 -10.142 152 QB ALA 14 QB ALA 14 1.661 -0.492 -9.496 153 H SER 15 H SER 15 0.164 -0.019 -11.798 154 HA SER 15 HA SER 15 -0.183 2.798 -12.562 155 1HB SER 15 1HB SER 15 -1.477 1.991 -14.612 156 2HB SER 15 2HB SER 15 0.286 1.962 -14.690 157 HG SER 15 HG SER 15 0.237 -0.280 -14.237 158 QB SER 15 QB SER 15 -0.596 1.977 -14.651 159 H ASP 16 H ASP 16 -2.521 3.315 -12.721 160 HA ASP 16 HA ASP 16 -3.461 3.095 -10.226 161 1HB ASP 16 1HB ASP 16 -5.262 4.391 -10.891 162 2HB ASP 16 2HB ASP 16 -4.132 4.688 -12.193 163 QB ASP 16 QB ASP 16 -4.697 4.540 -11.542 164 H GLU 17 H GLU 17 -4.263 0.786 -12.790 165 HA GLU 17 HA GLU 17 -6.548 -0.332 -11.331 166 1HB GLU 17 1HB GLU 17 -6.376 -0.287 -13.812 167 2HB GLU 17 2HB GLU 17 -5.001 -1.411 -13.723 168 1HG GLU 17 1HG GLU 17 -6.499 -3.073 -12.567 169 2HG GLU 17 2HG GLU 17 -7.845 -1.938 -12.736 170 QB GLU 17 QB GLU 17 -5.688 -0.849 -13.768 171 QG GLU 17 QG GLU 17 -7.172 -2.506 -12.652 172 H GLU 18 H GLU 18 -3.068 -0.844 -11.440 173 HA GLU 18 HA GLU 18 -3.096 -3.545 -10.323 174 1HB GLU 18 1HB GLU 18 -1.119 -1.826 -11.560 175 2HB GLU 18 2HB GLU 18 -0.729 -1.931 -9.852 176 1HG GLU 18 1HG GLU 18 -0.802 -4.425 -9.982 177 2HG GLU 18 2HG GLU 18 -1.086 -4.296 -11.719 178 QB GLU 18 QB GLU 18 -0.924 -1.878 -10.706 179 QG GLU 18 QG GLU 18 -0.944 -4.360 -10.851 180 H ILE 19 H ILE 19 -2.757 -0.101 -9.438 181 HA ILE 19 HA ILE 19 -2.200 -0.399 -6.752 182 HB ILE 19 HB ILE 19 -3.913 1.790 -7.992 183 1HG1 ILE 19 1HG1 ILE 19 -1.772 1.758 -9.123 184 2HG1 ILE 19 2HG1 ILE 19 -2.009 3.213 -8.197 185 1HG2 ILE 19 3HG2 ILE 19 -2.449 1.836 -5.360 186 2HG2 ILE 19 1HG2 ILE 19 -3.237 3.231 -6.127 187 3HG2 ILE 19 2HG2 ILE 19 -4.201 1.855 -5.609 188 1HD1 ILE 19 2HD1 ILE 19 -0.271 0.864 -7.356 189 2HD1 ILE 19 3HD1 ILE 19 0.288 2.378 -8.103 190 3HD1 ILE 19 1HD1 ILE 19 -0.451 2.424 -6.495 191 QG1 ILE 19 QG1 ILE 19 -1.890 2.485 -8.660 192 QG2 ILE 19 QG2 ILE 19 -3.296 2.307 -5.699 193 QD1 ILE 19 QD1 ILE 19 -0.145 1.888 -7.318 194 H LYS 20 H LYS 20 -5.424 0.234 -8.190 195 HA LYS 20 HA LYS 20 -6.996 -0.318 -5.956 196 1HB LYS 20 1HB LYS 20 -7.544 -0.625 -8.934 197 2HB LYS 20 2HB LYS 20 -8.805 -0.848 -7.715 198 1HG LYS 20 1HG LYS 20 -7.142 1.678 -7.864 199 2HG LYS 20 2HG LYS 20 -8.592 1.468 -8.844 200 1HD LYS 20 1HD LYS 20 -10.034 1.497 -6.990 201 2HD LYS 20 2HD LYS 20 -8.765 1.024 -5.856 202 1HE LYS 20 1HE LYS 20 -9.341 3.357 -5.516 203 2HE LYS 20 2HE LYS 20 -7.665 3.181 -6.044 204 1HZ LYS 20 2HZ LYS 20 -8.447 3.780 -8.305 205 2HZ LYS 20 3HZ LYS 20 -9.938 4.095 -7.697 206 3HZ LYS 20 1HZ LYS 20 -8.606 4.958 -7.204 207 QB LYS 20 QB LYS 20 -8.175 -0.736 -8.325 208 QG LYS 20 QG LYS 20 -7.867 1.573 -8.354 209 QD LYS 20 QD LYS 20 -9.399 1.261 -6.423 210 QE LYS 20 QE LYS 20 -8.503 3.269 -5.780 211 QZ LYS 20 QZ LYS 20 -8.997 4.277 -7.735 212 H ARG 21 H ARG 21 -5.903 -2.673 -8.486 213 HA ARG 21 HA ARG 21 -7.542 -4.750 -7.493 214 1HB ARG 21 1HB ARG 21 -6.138 -4.555 -9.733 215 2HB ARG 21 2HB ARG 21 -4.874 -5.328 -8.817 216 1HG ARG 21 1HG ARG 21 -5.998 -7.086 -9.921 217 2HG ARG 21 2HG ARG 21 -6.643 -7.158 -8.285 218 1HD ARG 21 1HD ARG 21 -8.480 -7.447 -9.770 219 2HD ARG 21 2HD ARG 21 -8.649 -5.821 -9.102 220 HE ARG 21 HE ARG 21 -7.185 -5.833 -11.608 221 1HH1 ARG 21 2HH2 ARG 21 -10.519 -6.142 -10.413 222 2HH1 ARG 21 1HH2 ARG 21 -11.211 -5.273 -11.743 223 1HH2 ARG 21 2HH1 ARG 21 -8.153 -4.916 -13.507 224 2HH2 ARG 21 1HH1 ARG 21 -9.849 -4.851 -13.658 225 QB ARG 21 QB ARG 21 -5.506 -4.941 -9.275 226 QG ARG 21 QG ARG 21 -6.320 -7.122 -9.103 227 QD ARG 21 QD ARG 21 -8.564 -6.634 -9.436 228 QH1 ARG 21 QH2 ARG 21 -10.865 -5.708 -11.078 229 QH2 ARG 21 QH1 ARG 21 -9.001 -4.883 -13.582 230 H ALA 22 H ALA 22 -4.123 -4.005 -6.837 231 HA ALA 22 HA ALA 22 -3.533 -6.052 -4.980 232 1HB ALA 22 3HB ALA 22 -2.383 -3.259 -5.202 233 2HB ALA 22 1HB ALA 22 -1.693 -4.604 -4.260 234 3HB ALA 22 2HB ALA 22 -1.823 -4.739 -6.019 235 QB ALA 22 QB ALA 22 -1.966 -4.201 -5.161 236 H TYR 23 H TYR 23 -4.520 -2.591 -4.221 237 HA TYR 23 HA TYR 23 -4.616 -2.970 -1.449 238 1HB TYR 23 1HB TYR 23 -4.394 -0.832 -1.785 239 2HB TYR 23 2HB TYR 23 -4.802 -0.904 -3.451 240 HD1 TYR 23 1HD TYR 23 -7.491 -1.243 -3.826 241 HD2 TYR 23 2HD TYR 23 -5.435 0.992 -0.761 242 HE1 TYR 23 1HE TYR 23 -9.508 0.112 -3.510 243 HE2 TYR 23 2HE TYR 23 -7.430 2.411 -0.487 244 HH TYR 23 HH TYR 23 -9.675 2.667 -1.014 245 QB TYR 23 QB TYR 23 -4.598 -0.868 -2.618 246 QG TYR 23 QD TYR 23 -6.463 -0.126 -2.294 247 QZ TYR 23 QE TYR 23 -8.469 1.262 -1.998 248 QR TYR 23 QR TYR 23 -7.466 0.568 -2.146 249 H ARG 24 H ARG 24 -7.202 -3.277 -3.891 250 HA ARG 24 HA ARG 24 -9.259 -3.673 -1.938 251 1HB ARG 24 1HB ARG 24 -9.575 -2.799 -4.208 252 2HB ARG 24 2HB ARG 24 -9.043 -4.334 -4.900 253 1HG ARG 24 1HG ARG 24 -11.008 -5.458 -3.999 254 2HG ARG 24 2HG ARG 24 -11.537 -3.943 -3.217 255 1HD ARG 24 1HD ARG 24 -11.834 -2.852 -5.346 256 2HD ARG 24 2HD ARG 24 -11.015 -4.153 -6.215 257 HE ARG 24 HE ARG 24 -13.782 -4.055 -5.354 258 1HH1 ARG 24 2HH2 ARG 24 -11.115 -6.311 -6.177 259 2HH1 ARG 24 1HH2 ARG 24 -12.172 -7.509 -6.821 260 1HH2 ARG 24 2HH1 ARG 24 -15.142 -5.636 -6.153 261 2HH2 ARG 24 1HH1 ARG 24 -14.576 -7.187 -6.681 262 QB ARG 24 QB ARG 24 -9.309 -3.567 -4.554 263 QG ARG 24 QG ARG 24 -11.272 -4.700 -3.608 264 QD ARG 24 QD ARG 24 -11.424 -3.503 -5.780 265 QH1 ARG 24 QH2 ARG 24 -11.643 -6.910 -6.499 266 QH2 ARG 24 QH1 ARG 24 -14.859 -6.412 -6.417 267 H ARG 25 H ARG 25 -6.967 -5.911 -3.503 268 HA ARG 25 HA ARG 25 -8.270 -8.319 -2.535 269 1HB ARG 25 1HB ARG 25 -5.799 -7.650 -3.978 270 2HB ARG 25 2HB ARG 25 -5.431 -8.751 -2.682 271 1HG ARG 25 1HG ARG 25 -7.537 -9.262 -4.823 272 2HG ARG 25 2HG ARG 25 -5.890 -9.891 -4.793 273 1HD ARG 25 1HD ARG 25 -6.702 -11.675 -3.760 274 2HD ARG 25 2HD ARG 25 -6.727 -10.693 -2.306 275 HE ARG 25 HE ARG 25 -8.981 -11.151 -4.214 276 1HH1 ARG 25 2HH2 ARG 25 -8.063 -10.439 -0.829 277 2HH1 ARG 25 1HH2 ARG 25 -9.454 -11.224 -0.155 278 1HH2 ARG 25 2HH1 ARG 25 -10.975 -11.786 -3.327 279 2HH2 ARG 25 1HH1 ARG 25 -11.262 -11.818 -1.614 280 QB ARG 25 QB ARG 25 -5.615 -8.200 -3.330 281 QG ARG 25 QG ARG 25 -6.713 -9.576 -4.808 282 QD ARG 25 QD ARG 25 -6.715 -11.184 -3.033 283 QH1 ARG 25 QH2 ARG 25 -8.758 -10.831 -0.492 284 QH2 ARG 25 QH1 ARG 25 -11.118 -11.802 -2.471 285 H GLN 26 H GLN 26 -5.492 -6.334 -1.398 286 HA GLN 26 HA GLN 26 -5.010 -8.047 0.783 287 1HB GLN 26 1HB GLN 26 -3.752 -5.743 -0.468 288 2HB GLN 26 2HB GLN 26 -3.803 -5.467 1.240 289 1HG GLN 26 1HG GLN 26 -1.744 -6.659 0.663 290 2HG GLN 26 2HG GLN 26 -2.770 -7.715 1.637 291 1HE2 GLN 26 2HE2 GLN 26 -2.015 -8.646 -2.320 292 2HE2 GLN 26 1HE2 GLN 26 -1.631 -7.070 -1.680 293 QB GLN 26 QB GLN 26 -3.778 -5.605 0.386 294 QG GLN 26 QG GLN 26 -2.257 -7.187 1.150 295 QE2 GLN 26 QE2 GLN 26 -1.823 -7.858 -2.000 296 H ALA 27 H ALA 27 -6.938 -5.013 0.671 297 HA ALA 27 HA ALA 27 -7.373 -4.796 3.465 298 1HB ALA 27 2HB ALA 27 -9.211 -4.233 1.083 299 2HB ALA 27 3HB ALA 27 -9.641 -3.870 2.768 300 3HB ALA 27 1HB ALA 27 -8.250 -3.077 2.035 301 QB ALA 27 QB ALA 27 -9.034 -3.726 1.962 302 H LEU 28 H LEU 28 -9.381 -6.537 1.027 303 HA LEU 28 HA LEU 28 -11.122 -7.714 2.880 304 1HB LEU 28 1HB LEU 28 -10.797 -7.633 0.066 305 2HB LEU 28 2HB LEU 28 -10.735 -9.326 0.445 306 HG LEU 28 HG LEU 28 -12.969 -8.688 -0.136 307 1HD1 LEU 28 3HD1 LEU 28 -12.784 -10.397 1.636 308 2HD1 LEU 28 1HD1 LEU 28 -12.955 -9.124 2.869 309 3HD1 LEU 28 2HD1 LEU 28 -14.279 -9.453 1.730 310 1HD2 LEU 28 2HD2 LEU 28 -12.794 -6.277 0.474 311 2HD2 LEU 28 3HD2 LEU 28 -14.295 -7.037 1.019 312 3HD2 LEU 28 1HD2 LEU 28 -12.999 -6.710 2.181 313 QB LEU 28 QB LEU 28 -10.766 -8.480 0.255 314 QD1 LEU 28 QD1 LEU 28 -13.339 -9.658 2.078 315 QD2 LEU 28 QD2 LEU 28 -13.363 -6.674 1.225 316 QQD LEU 28 QQD LEU 28 -13.351 -8.166 1.652 317 H ARG 29 H ARG 29 -7.892 -8.805 1.953 318 HA ARG 29 HA ARG 29 -8.058 -11.493 2.865 319 1HB ARG 29 1HB ARG 29 -6.387 -10.452 1.314 320 2HB ARG 29 2HB ARG 29 -5.742 -9.521 2.667 321 1HG ARG 29 1HG ARG 29 -5.065 -11.616 3.796 322 2HG ARG 29 2HG ARG 29 -5.792 -12.508 2.425 323 1HD ARG 29 1HD ARG 29 -4.211 -11.599 0.867 324 2HD ARG 29 2HD ARG 29 -3.661 -10.387 2.038 325 HE ARG 29 HE ARG 29 -3.115 -12.951 3.109 326 1HH1 ARG 29 2HH2 ARG 29 -2.076 -10.904 0.365 327 2HH1 ARG 29 1HH2 ARG 29 -0.480 -11.609 0.324 328 1HH2 ARG 29 2HH1 ARG 29 -0.937 -13.662 3.164 329 2HH2 ARG 29 1HH1 ARG 29 0.235 -12.925 2.086 330 QB ARG 29 QB ARG 29 -6.065 -9.987 1.990 331 QG ARG 29 QG ARG 29 -5.428 -12.062 3.111 332 QD ARG 29 QD ARG 29 -3.936 -10.993 1.452 333 QH1 ARG 29 QH2 ARG 29 -1.278 -11.256 0.345 334 QH2 ARG 29 QH1 ARG 29 -0.351 -13.293 2.625 335 H TYR 30 H TYR 30 -7.479 -8.392 4.577 336 HA TYR 30 HA TYR 30 -6.865 -9.937 7.075 337 1HB TYR 30 1HB TYR 30 -5.861 -7.315 5.957 338 2HB TYR 30 2HB TYR 30 -5.733 -7.702 7.668 339 HD1 TYR 30 2HD TYR 30 -4.347 -9.485 8.495 340 HD2 TYR 30 1HD TYR 30 -4.501 -8.580 4.307 341 HE1 TYR 30 2HE TYR 30 -2.254 -10.774 8.167 342 HE2 TYR 30 1HE TYR 30 -2.391 -9.836 3.945 343 HH TYR 30 HH TYR 30 -0.577 -10.774 5.027 344 QB TYR 30 QB TYR 30 -5.797 -7.508 6.813 345 QG TYR 30 QD TYR 30 -4.424 -9.032 6.401 346 QZ TYR 30 QE TYR 30 -2.322 -10.305 6.056 347 QR TYR 30 QR TYR 30 -3.373 -9.669 6.228 348 H HIS 31 H HIS 31 -9.107 -7.754 5.695 349 HA HIS 31 HA HIS 31 -9.737 -5.902 7.354 350 1HB HIS 31 1HB HIS 31 -10.922 -6.825 5.210 351 2HB HIS 31 2HB HIS 31 -12.018 -7.605 6.312 352 HD1 HIS 31 1HD HIS 31 -12.036 -4.538 8.152 353 HD2 HIS 31 2HD HIS 31 -12.799 -5.475 4.113 354 HE1 HIS 31 1HE HIS 31 -13.587 -2.786 7.307 355 QB HIS 31 QB HIS 31 -11.470 -7.215 5.761 356 HA PRO 32 HA PRO 32 -11.226 -7.760 11.289 357 1HB PRO 32 1HB PRO 32 -12.431 -5.482 12.299 358 2HB PRO 32 2HB PRO 32 -10.693 -5.887 12.474 359 1HG PRO 32 1HG PRO 32 -12.019 -4.075 10.447 360 2HG PRO 32 2HG PRO 32 -10.517 -3.786 11.389 361 1HD PRO 32 1HD PRO 32 -10.440 -4.626 8.831 362 2HD PRO 32 2HD PRO 32 -9.285 -5.281 10.031 363 QB PRO 32 QB PRO 32 -11.562 -5.685 12.386 364 QG PRO 32 QG PRO 32 -11.268 -3.931 10.918 365 QD PRO 32 QD PRO 32 -9.863 -4.953 9.431 366 H ASP 33 H ASP 33 -12.949 -6.308 8.627 367 HA ASP 33 HA ASP 33 -15.515 -7.191 9.665 368 1HB ASP 33 1HB ASP 33 -15.025 -4.870 8.658 369 2HB ASP 33 2HB ASP 33 -15.039 -5.701 7.092 370 QB ASP 33 QB ASP 33 -15.032 -5.286 7.875 371 H LYS 34 H LYS 34 -13.131 -8.840 8.247 372 HA LYS 34 HA LYS 34 -15.078 -10.703 7.029 373 1HB LYS 34 1HB LYS 34 -14.270 -9.584 5.049 374 2HB LYS 34 2HB LYS 34 -12.607 -9.661 5.599 375 1HG LYS 34 1HG LYS 34 -12.769 -11.324 3.907 376 2HG LYS 34 2HG LYS 34 -12.609 -12.171 5.420 377 1HD LYS 34 1HD LYS 34 -14.311 -13.337 4.272 378 2HD LYS 34 2HD LYS 34 -15.213 -12.338 5.421 379 1HE LYS 34 1HE LYS 34 -15.393 -10.582 3.552 380 2HE LYS 34 2HE LYS 34 -14.693 -11.790 2.461 381 1HZ LYS 34 3HZ LYS 34 -16.637 -13.216 3.062 382 2HZ LYS 34 1HZ LYS 34 -17.279 -11.893 3.849 383 3HZ LYS 34 2HZ LYS 34 -16.971 -11.859 2.236 384 QB LYS 34 QB LYS 34 -13.439 -9.622 5.324 385 QG LYS 34 QG LYS 34 -12.689 -11.747 4.663 386 QD LYS 34 QD LYS 34 -14.762 -12.838 4.846 387 QE LYS 34 QE LYS 34 -15.043 -11.186 3.007 388 QZ LYS 34 QZ LYS 34 -16.962 -12.323 3.049 389 H ASN 35 H ASN 35 -11.535 -10.319 7.586 390 HA ASN 35 HA ASN 35 -11.219 -13.184 8.227 391 1HB ASN 35 1HB ASN 35 -9.545 -11.833 6.913 392 2HB ASN 35 2HB ASN 35 -9.239 -10.871 8.363 393 1HD2 ASN 35 2HD2 ASN 35 -6.445 -13.259 8.127 394 2HD2 ASN 35 1HD2 ASN 35 -7.168 -12.147 6.994 395 QB ASN 35 QB ASN 35 -9.392 -11.352 7.638 396 QD2 ASN 35 QD2 ASN 35 -6.806 -12.703 7.560 397 H LYS 36 H LYS 36 -11.907 -10.160 9.750 398 HA LYS 36 HA LYS 36 -12.405 -9.541 11.804 399 1HB LYS 36 1HB LYS 36 -13.141 -12.349 11.811 400 2HB LYS 36 2HB LYS 36 -12.691 -11.847 13.425 401 1HG LYS 36 1HG LYS 36 -14.644 -10.279 11.694 402 2HG LYS 36 2HG LYS 36 -15.136 -11.625 12.723 403 1HD LYS 36 1HD LYS 36 -14.355 -10.536 14.719 404 2HD LYS 36 2HD LYS 36 -13.708 -9.161 13.812 405 1HE LYS 36 1HE LYS 36 -16.616 -9.938 13.500 406 2HE LYS 36 2HE LYS 36 -16.122 -9.041 14.939 407 1HZ LYS 36 1HZ LYS 36 -15.298 -7.996 12.339 408 2HZ LYS 36 2HZ LYS 36 -16.863 -7.837 12.810 409 3HZ LYS 36 3HZ LYS 36 -15.655 -7.202 13.736 410 QB LYS 36 QB LYS 36 -12.916 -12.098 12.618 411 QG LYS 36 QG LYS 36 -14.890 -10.952 12.209 412 QD LYS 36 QD LYS 36 -14.032 -9.848 14.265 413 QE LYS 36 QE LYS 36 -16.369 -9.489 14.220 414 QZ LYS 36 QZ LYS 36 -15.938 -7.678 12.962 415 H GLU 37 H GLU 37 -9.701 -9.713 10.926 416 HA GLU 37 HA GLU 37 -7.584 -9.689 11.563 417 1HB GLU 37 1HB GLU 37 -8.866 -7.567 11.732 418 2HB GLU 37 2HB GLU 37 -9.107 -7.892 13.444 419 1HG GLU 37 1HG GLU 37 -6.441 -8.073 13.365 420 2HG GLU 37 2HG GLU 37 -6.629 -7.068 11.933 421 QB GLU 37 QB GLU 37 -8.987 -7.730 12.588 422 QG GLU 37 QG GLU 37 -6.535 -7.571 12.649 423 HA PRO 38 HA PRO 38 -8.464 -12.419 15.173 424 1HB PRO 38 1HB PRO 38 -7.807 -14.883 14.304 425 2HB PRO 38 2HB PRO 38 -9.128 -13.924 13.561 426 1HG PRO 38 1HG PRO 38 -6.276 -14.065 12.544 427 2HG PRO 38 2HG PRO 38 -7.778 -14.515 11.661 428 1HD PRO 38 1HD PRO 38 -6.730 -12.003 11.507 429 2HD PRO 38 2HD PRO 38 -8.490 -12.283 11.536 430 QB PRO 38 QB PRO 38 -8.467 -14.404 13.932 431 QG PRO 38 QG PRO 38 -7.027 -14.290 12.102 432 QD PRO 38 QD PRO 38 -7.610 -12.143 11.521 433 H GLY 39 H GLY 39 -5.817 -11.574 14.082 434 1HA GLY 39 1HA GLY 39 -3.939 -11.540 16.155 435 2HA GLY 39 2HA GLY 39 -3.680 -13.132 15.390 436 QA GLY 39 QA GLY 39 -3.810 -12.336 15.773 437 H ALA 40 H ALA 40 -4.331 -9.764 14.408 438 HA ALA 40 HA ALA 40 -2.422 -9.857 12.135 439 1HB ALA 40 3HB ALA 40 -4.572 -11.101 11.543 440 2HB ALA 40 1HB ALA 40 -5.425 -9.566 11.816 441 3HB ALA 40 2HB ALA 40 -4.192 -9.682 10.559 442 QB ALA 40 QB ALA 40 -4.730 -10.116 11.306 443 H GLU 41 H GLU 41 -3.482 -7.951 14.695 444 HA GLU 41 HA GLU 41 -4.558 -5.726 13.239 445 1HB GLU 41 1HB GLU 41 -5.107 -6.062 15.550 446 2HB GLU 41 2HB GLU 41 -3.423 -5.948 16.038 447 1HG GLU 41 1HG GLU 41 -3.311 -3.601 15.446 448 2HG GLU 41 2HG GLU 41 -4.889 -3.672 14.645 449 QB GLU 41 QB GLU 41 -4.265 -6.005 15.794 450 QG GLU 41 QG GLU 41 -4.100 -3.636 15.046 451 H GLU 42 H GLU 42 -1.304 -6.353 14.578 452 HA GLU 42 HA GLU 42 -0.026 -4.047 13.517 453 1HB GLU 42 1HB GLU 42 1.202 -5.585 14.929 454 2HB GLU 42 2HB GLU 42 1.086 -6.880 13.741 455 1HG GLU 42 1HG GLU 42 2.272 -4.420 12.583 456 2HG GLU 42 2HG GLU 42 3.118 -4.929 14.015 457 QB GLU 42 QB GLU 42 1.144 -6.232 14.335 458 QG GLU 42 QG GLU 42 2.695 -4.674 13.299 459 H LYS 43 H LYS 43 -0.657 -7.215 12.037 460 HA LYS 43 HA LYS 43 0.593 -6.661 9.634 461 1HB LYS 43 1HB LYS 43 -0.938 -8.797 10.872 462 2HB LYS 43 2HB LYS 43 -1.450 -8.680 9.227 463 1HG LYS 43 1HG LYS 43 1.400 -8.910 10.299 464 2HG LYS 43 2HG LYS 43 0.487 -10.216 9.561 465 1HD LYS 43 1HD LYS 43 0.865 -9.510 7.418 466 2HD LYS 43 2HD LYS 43 0.933 -7.796 7.806 467 1HE LYS 43 1HE LYS 43 3.076 -9.754 8.712 468 2HE LYS 43 2HE LYS 43 3.135 -8.954 7.137 469 1HZ LYS 43 3HZ LYS 43 3.032 -7.411 9.680 470 2HZ LYS 43 1HZ LYS 43 4.408 -7.864 8.913 471 3HZ LYS 43 2HZ LYS 43 3.411 -6.870 8.141 472 QB LYS 43 QB LYS 43 -1.194 -8.738 10.050 473 QG LYS 43 QG LYS 43 0.944 -9.563 9.930 474 QD LYS 43 QD LYS 43 0.899 -8.653 7.612 475 QE LYS 43 QE LYS 43 3.106 -9.354 7.925 476 QZ LYS 43 QZ LYS 43 3.617 -7.381 8.912 477 H PHE 44 H PHE 44 -2.739 -6.039 10.598 478 HA PHE 44 HA PHE 44 -3.666 -5.253 8.003 479 1HB PHE 44 1HB PHE 44 -5.170 -5.943 9.871 480 2HB PHE 44 2HB PHE 44 -4.710 -4.509 10.774 481 HD1 PHE 44 1HD PHE 44 -5.813 -5.308 7.245 482 HD2 PHE 44 2HD PHE 44 -6.259 -2.724 10.671 483 HE1 PHE 44 1HE PHE 44 -7.316 -3.872 5.946 484 HE2 PHE 44 2HE PHE 44 -7.803 -1.287 9.370 485 1HZ PHE 44 HZ PHE 44 -8.314 -1.820 7.008 486 QB PHE 44 QB PHE 44 -4.940 -5.226 10.323 487 QG PHE 44 QD PHE 44 -6.036 -4.016 8.958 488 QZ PHE 44 QE PHE 44 -7.559 -2.579 7.658 489 QZ PHE 44 QR PHE 44 -7.101 -3.002 8.048 490 H LYS 45 H LYS 45 -2.433 -3.395 10.872 491 HA LYS 45 HA LYS 45 -2.544 -0.951 9.373 492 1HB LYS 45 1HB LYS 45 -1.420 0.166 11.057 493 2HB LYS 45 2HB LYS 45 -2.617 -0.895 11.785 494 1HG LYS 45 1HG LYS 45 -0.985 -2.393 12.602 495 2HG LYS 45 2HG LYS 45 0.327 -1.682 11.646 496 1HD LYS 45 1HD LYS 45 -1.224 -0.165 13.775 497 2HD LYS 45 2HD LYS 45 0.271 -1.048 14.116 498 1HE LYS 45 1HE LYS 45 1.528 0.321 12.524 499 2HE LYS 45 2HE LYS 45 0.050 1.118 11.987 500 1HZ LYS 45 3HZ LYS 45 -0.178 1.897 14.350 501 2HZ LYS 45 1HZ LYS 45 1.367 1.449 14.594 502 3HZ LYS 45 2HZ LYS 45 1.015 2.581 13.435 503 QB LYS 45 QB LYS 45 -2.018 -0.364 11.421 504 QG LYS 45 QG LYS 45 -0.329 -2.038 12.124 505 QD LYS 45 QD LYS 45 -0.477 -0.607 13.946 506 QE LYS 45 QE LYS 45 0.789 0.720 12.255 507 QZ LYS 45 QZ LYS 45 0.734 1.976 14.126 508 H GLU 46 H GLU 46 -0.231 -3.521 9.389 509 HA GLU 46 HA GLU 46 1.920 -2.128 8.283 510 1HB GLU 46 1HB GLU 46 1.381 -4.734 9.071 511 2HB GLU 46 2HB GLU 46 1.731 -4.930 7.380 512 1HG GLU 46 1HG GLU 46 3.577 -3.218 9.078 513 2HG GLU 46 2HG GLU 46 3.560 -4.945 9.358 514 QB GLU 46 QB GLU 46 1.556 -4.832 8.226 515 QG GLU 46 QG GLU 46 3.569 -4.082 9.218 516 H ILE 47 H ILE 47 -0.734 -3.992 6.781 517 HA ILE 47 HA ILE 47 -0.277 -3.155 4.081 518 HB ILE 47 HB ILE 47 -2.837 -3.926 5.557 519 1HG1 ILE 47 1HG1 ILE 47 -1.185 -5.245 3.351 520 2HG1 ILE 47 2HG1 ILE 47 -1.113 -5.670 5.066 521 1HG2 ILE 47 1HG2 ILE 47 -3.481 -2.293 3.799 522 2HG2 ILE 47 2HG2 ILE 47 -2.607 -3.262 2.595 523 3HG2 ILE 47 3HG2 ILE 47 -4.050 -3.888 3.426 524 1HD1 ILE 47 1HD1 ILE 47 -3.517 -6.277 5.014 525 2HD1 ILE 47 2HD1 ILE 47 -3.557 -5.952 3.284 526 3HD1 ILE 47 3HD1 ILE 47 -2.516 -7.230 3.874 527 QG1 ILE 47 QG1 ILE 47 -1.149 -5.457 4.208 528 QG2 ILE 47 QG2 ILE 47 -3.379 -3.147 3.273 529 QD1 ILE 47 QD1 ILE 47 -3.197 -6.486 4.058 530 H ALA 48 H ALA 48 -1.948 -1.542 6.847 531 HA ALA 48 HA ALA 48 -3.293 0.358 5.318 532 1HB ALA 48 2HB ALA 48 -3.760 -0.066 7.726 533 2HB ALA 48 3HB ALA 48 -2.263 0.830 8.135 534 3HB ALA 48 1HB ALA 48 -3.594 1.648 7.332 535 QB ALA 48 QB ALA 48 -3.206 0.804 7.731 536 H GLU 49 H GLU 49 0.031 0.369 6.437 537 HA GLU 49 HA GLU 49 0.507 3.208 5.956 538 1HB GLU 49 1HB GLU 49 1.923 1.563 7.427 539 2HB GLU 49 2HB GLU 49 2.665 1.056 5.916 540 1HG GLU 49 1HG GLU 49 4.031 2.760 7.005 541 2HG GLU 49 2HG GLU 49 3.378 3.412 5.497 542 QB GLU 49 QB GLU 49 2.294 1.309 6.672 543 QG GLU 49 QG GLU 49 3.704 3.086 6.251 544 H ALA 50 H ALA 50 1.099 0.205 4.110 545 HA ALA 50 HA ALA 50 2.288 1.626 1.861 546 1HB ALA 50 2HB ALA 50 1.151 -1.212 2.128 547 2HB ALA 50 3HB ALA 50 2.070 -0.600 0.741 548 3HB ALA 50 1HB ALA 50 2.855 -0.745 2.334 549 QB ALA 50 QB ALA 50 2.026 -0.852 1.734 550 H TYR 51 H TYR 51 -0.872 0.444 2.776 551 HA TYR 51 HA TYR 51 -2.295 0.748 0.316 552 1HB TYR 51 1HB TYR 51 -2.784 -0.708 2.233 553 2HB TYR 51 2HB TYR 51 -3.077 0.699 3.245 554 HD1 TYR 51 2HD TYR 51 -5.089 2.153 2.801 555 HD2 TYR 51 1HD TYR 51 -4.495 -1.749 1.027 556 HE1 TYR 51 2HE TYR 51 -7.499 1.946 2.463 557 HE2 TYR 51 1HE TYR 51 -6.942 -1.951 0.689 558 HH TYR 51 HH TYR 51 -9.220 0.599 1.757 559 QB TYR 51 QB TYR 51 -2.930 -0.005 2.739 560 QG TYR 51 QD TYR 51 -4.792 0.202 1.914 561 QZ TYR 51 QE TYR 51 -7.221 -0.002 1.576 562 QR TYR 51 QR TYR 51 -6.006 0.100 1.745 563 H ASP 52 H ASP 52 -1.705 2.907 3.118 564 HA ASP 52 HA ASP 52 -3.300 5.128 2.369 565 1HB ASP 52 1HB ASP 52 -2.243 4.758 4.569 566 2HB ASP 52 2HB ASP 52 -0.650 4.987 3.866 567 QB ASP 52 QB ASP 52 -1.447 4.873 4.217 568 H VAL 53 H VAL 53 0.146 4.325 1.710 569 HA VAL 53 HA VAL 53 0.700 6.584 0.032 570 HB VAL 53 HB VAL 53 1.876 3.773 0.272 571 1HG1 VAL 53 3HG1 VAL 53 2.987 6.021 -1.430 572 2HG1 VAL 53 1HG1 VAL 53 3.824 4.501 -1.020 573 3HG1 VAL 53 2HG1 VAL 53 2.373 4.452 -2.011 574 1HG2 VAL 53 2HG2 VAL 53 2.166 5.340 2.190 575 2HG2 VAL 53 3HG2 VAL 53 3.672 4.823 1.427 576 3HG2 VAL 53 1HG2 VAL 53 3.019 6.445 1.092 577 QG1 VAL 53 QG1 VAL 53 3.061 4.991 -1.487 578 QG2 VAL 53 QG2 VAL 53 2.952 5.536 1.570 579 QQG VAL 53 QQG VAL 53 3.007 5.264 0.041 580 H LEU 54 H LEU 54 -0.312 3.224 -0.714 581 HA LEU 54 HA LEU 54 -0.671 3.704 -3.522 582 1HB LEU 54 1HB LEU 54 -1.294 1.384 -1.667 583 2HB LEU 54 2HB LEU 54 -1.392 1.330 -3.415 584 HG LEU 54 HG LEU 54 1.220 2.129 -2.083 585 1HD1 LEU 54 2HD1 LEU 54 0.562 -0.107 -1.217 586 2HD1 LEU 54 3HD1 LEU 54 0.491 -0.683 -2.897 587 3HD1 LEU 54 1HD1 LEU 54 2.018 -0.100 -2.196 588 1HD2 LEU 54 3HD2 LEU 54 0.553 0.962 -4.807 589 2HD2 LEU 54 1HD2 LEU 54 1.051 2.639 -4.465 590 3HD2 LEU 54 2HD2 LEU 54 2.170 1.309 -4.172 591 QB LEU 54 QB LEU 54 -1.343 1.357 -2.541 592 QD1 LEU 54 QD1 LEU 54 1.024 -0.297 -2.103 593 QD2 LEU 54 QD2 LEU 54 1.258 1.636 -4.481 594 QQD LEU 54 QQD LEU 54 1.141 0.670 -3.292 595 H SER 55 H SER 55 -2.261 5.376 -1.576 596 HA SER 55 HA SER 55 -4.458 5.410 -3.464 597 1HB SER 55 1HB SER 55 -6.127 5.844 -1.655 598 2HB SER 55 2HB SER 55 -5.548 4.188 -1.770 599 HG SER 55 HG SER 55 -4.185 4.504 -0.032 600 QB SER 55 QB SER 55 -5.837 5.016 -1.712 601 H ASP 56 H ASP 56 -1.875 7.000 -2.045 602 HA ASP 56 HA ASP 56 -3.183 9.669 -2.119 603 1HB ASP 56 1HB ASP 56 -2.611 9.048 0.115 604 2HB ASP 56 2HB ASP 56 -0.972 8.599 -0.364 605 QB ASP 56 QB ASP 56 -1.792 8.823 -0.124 606 HA PRO 57 HA PRO 57 -0.137 9.621 -5.501 607 1HB PRO 57 1HB PRO 57 -1.036 11.818 -6.878 608 2HB PRO 57 2HB PRO 57 -1.742 10.173 -6.996 609 1HG PRO 57 1HG PRO 57 -2.685 12.527 -5.359 610 2HG PRO 57 2HG PRO 57 -3.661 11.398 -6.349 611 1HD PRO 57 1HD PRO 57 -3.406 11.140 -3.644 612 2HD PRO 57 2HD PRO 57 -3.549 9.716 -4.719 613 QB PRO 57 QB PRO 57 -1.389 10.995 -6.937 614 QG PRO 57 QG PRO 57 -3.173 11.962 -5.854 615 QD PRO 57 QD PRO 57 -3.478 10.428 -4.181 616 H ARG 58 H ARG 58 -0.727 12.345 -3.249 617 HA ARG 58 HA ARG 58 1.711 13.797 -4.128 618 1HB ARG 58 1HB ARG 58 -0.185 14.056 -1.745 619 2HB ARG 58 2HB ARG 58 1.344 14.888 -1.789 620 1HG ARG 58 1HG ARG 58 -1.009 15.297 -3.642 621 2HG ARG 58 2HG ARG 58 -0.401 16.388 -2.425 622 1HD ARG 58 1HD ARG 58 0.499 15.912 -5.215 623 2HD ARG 58 2HD ARG 58 0.324 17.425 -4.343 624 HE ARG 58 HE ARG 58 2.654 16.162 -4.962 625 1HH1 ARG 58 2HH2 ARG 58 1.425 17.481 -1.815 626 2HH1 ARG 58 1HH2 ARG 58 3.039 17.424 -1.149 627 1HH2 ARG 58 2HH1 ARG 58 4.697 16.518 -4.075 628 2HH2 ARG 58 1HH1 ARG 58 4.837 16.954 -2.382 629 QB ARG 58 QB ARG 58 0.580 14.472 -1.767 630 QG ARG 58 QG ARG 58 -0.705 15.843 -3.033 631 QD ARG 58 QD ARG 58 0.412 16.668 -4.779 632 QH1 ARG 58 QH2 ARG 58 2.232 17.452 -1.482 633 QH2 ARG 58 QH1 ARG 58 4.767 16.736 -3.228 634 H LYS 59 H LYS 59 0.742 11.512 -1.518 635 HA LYS 59 HA LYS 59 3.412 11.620 -0.383 636 1HB LYS 59 1HB LYS 59 1.406 11.004 0.879 637 2HB LYS 59 2HB LYS 59 1.262 9.489 -0.041 638 1HG LYS 59 1HG LYS 59 3.263 8.625 0.924 639 2HG LYS 59 2HG LYS 59 3.775 10.212 1.494 640 1HD LYS 59 1HD LYS 59 2.973 8.706 3.308 641 2HD LYS 59 2HD LYS 59 2.175 10.265 3.249 642 1HE LYS 59 1HE LYS 59 0.815 8.027 1.773 643 2HE LYS 59 2HE LYS 59 0.943 7.849 3.529 644 1HZ LYS 59 2HZ LYS 59 -0.078 10.017 3.778 645 2HZ LYS 59 3HZ LYS 59 -0.340 10.129 2.149 646 3HZ LYS 59 1HZ LYS 59 -1.056 8.937 3.013 647 QB LYS 59 QB LYS 59 1.334 10.246 0.419 648 QG LYS 59 QG LYS 59 3.519 9.418 1.209 649 QD LYS 59 QD LYS 59 2.574 9.486 3.279 650 QE LYS 59 QE LYS 59 0.879 7.938 2.651 651 QZ LYS 59 QZ LYS 59 -0.491 9.694 2.980 652 H ARG 60 H ARG 60 1.818 9.469 -2.779 653 HA ARG 60 HA ARG 60 4.074 7.793 -3.271 654 1HB ARG 60 1HB ARG 60 1.779 8.713 -5.000 655 2HB ARG 60 2HB ARG 60 3.111 7.768 -5.686 656 1HG ARG 60 1HG ARG 60 2.777 5.953 -4.136 657 2HG ARG 60 2HG ARG 60 1.632 6.916 -3.196 658 1HD ARG 60 1HD ARG 60 0.447 5.294 -4.544 659 2HD ARG 60 2HD ARG 60 0.069 6.947 -5.078 660 HE ARG 60 HE ARG 60 2.181 5.296 -6.414 661 1HH1 ARG 60 2HH2 ARG 60 -1.045 6.760 -6.835 662 2HH1 ARG 60 1HH2 ARG 60 -0.959 6.644 -8.571 663 1HH2 ARG 60 2HH1 ARG 60 2.360 5.421 -8.627 664 2HH2 ARG 60 1HH1 ARG 60 1.047 5.939 -9.615 665 QB ARG 60 QB ARG 60 2.445 8.241 -5.343 666 QG ARG 60 QG ARG 60 2.205 6.434 -3.666 667 QD ARG 60 QD ARG 60 0.258 6.121 -4.811 668 QH1 ARG 60 QH2 ARG 60 -1.002 6.702 -7.703 669 QH2 ARG 60 QH1 ARG 60 1.703 5.680 -9.121 670 H GLU 61 H GLU 61 3.429 11.174 -4.339 671 HA GLU 61 HA GLU 61 5.293 11.249 -6.393 672 1HB GLU 61 1HB GLU 61 3.534 12.965 -5.604 673 2HB GLU 61 2HB GLU 61 4.750 13.509 -4.439 674 1HG GLU 61 1HG GLU 61 6.277 13.986 -6.335 675 2HG GLU 61 2HG GLU 61 4.941 13.620 -7.453 676 QB GLU 61 QB GLU 61 4.142 13.237 -5.021 677 QG GLU 61 QG GLU 61 5.609 13.803 -6.894 678 H ILE 62 H ILE 62 5.847 11.732 -2.873 679 HA ILE 62 HA ILE 62 8.649 12.372 -3.239 680 HB ILE 62 HB ILE 62 7.170 11.608 -0.699 681 1HG1 ILE 62 1HG1 ILE 62 7.854 14.274 -2.031 682 2HG1 ILE 62 2HG1 ILE 62 6.250 13.643 -1.641 683 1HG2 ILE 62 2HG2 ILE 62 9.643 11.214 -0.553 684 2HG2 ILE 62 3HG2 ILE 62 9.934 12.886 -1.061 685 3HG2 ILE 62 1HG2 ILE 62 9.140 12.516 0.487 686 1HD1 ILE 62 2HD1 ILE 62 6.874 13.786 0.808 687 2HD1 ILE 62 3HD1 ILE 62 8.350 14.653 0.309 688 3HD1 ILE 62 1HD1 ILE 62 6.766 15.340 -0.053 689 QG1 ILE 62 QG1 ILE 62 7.052 13.959 -1.836 690 QG2 ILE 62 QG2 ILE 62 9.572 12.205 -0.376 691 QD1 ILE 62 QD1 ILE 62 7.330 14.593 0.355 692 H PHE 63 H PHE 63 6.806 9.384 -2.520 693 HA PHE 63 HA PHE 63 9.075 7.663 -2.137 694 1HB PHE 63 1HB PHE 63 6.884 6.874 -1.589 695 2HB PHE 63 2HB PHE 63 6.256 7.239 -3.181 696 HD1 PHE 63 2HD PHE 63 6.773 5.848 -5.159 697 HD2 PHE 63 1HD PHE 63 8.165 4.805 -1.200 698 HE1 PHE 63 2HE PHE 63 7.335 3.591 -5.952 699 HE2 PHE 63 1HE PHE 63 8.728 2.525 -2.031 700 1HZ PHE 63 HZ PHE 63 8.314 1.919 -4.390 701 QB PHE 63 QB PHE 63 6.570 7.057 -2.385 702 QG PHE 63 QD PHE 63 7.469 5.326 -3.180 703 QZ PHE 63 QE PHE 63 8.031 3.058 -3.992 704 QZ PHE 63 QR PHE 63 7.863 3.737 -3.747 705 H ASP 64 H ASP 64 7.242 8.568 -5.043 706 HA ASP 64 HA ASP 64 8.613 7.101 -6.962 707 1HB ASP 64 1HB ASP 64 6.335 8.030 -7.163 708 2HB ASP 64 2HB ASP 64 6.981 9.664 -7.143 709 QB ASP 64 QB ASP 64 6.658 8.847 -7.153 710 H ARG 65 H ARG 65 9.227 10.578 -5.935 711 HA ARG 65 HA ARG 65 11.159 11.004 -7.924 712 1HB ARG 65 1HB ARG 65 11.661 12.905 -6.862 713 2HB ARG 65 2HB ARG 65 9.930 12.750 -6.671 714 1HG ARG 65 1HG ARG 65 10.440 11.981 -4.312 715 2HG ARG 65 2HG ARG 65 12.104 12.508 -4.582 716 1HD ARG 65 1HD ARG 65 9.640 14.304 -4.793 717 2HD ARG 65 2HD ARG 65 10.667 14.176 -3.365 718 HE ARG 65 HE ARG 65 12.421 15.305 -4.440 719 1HH1 ARG 65 2HH2 ARG 65 9.593 15.364 -6.585 720 2HH1 ARG 65 1HH2 ARG 65 10.560 15.622 -8.021 721 1HH2 ARG 65 2HH1 ARG 65 13.570 16.022 -6.180 722 2HH2 ARG 65 1HH1 ARG 65 12.851 16.186 -7.750 723 QB ARG 65 QB ARG 65 10.796 12.827 -6.766 724 QG ARG 65 QG ARG 65 11.272 12.244 -4.447 725 QD ARG 65 QD ARG 65 10.153 14.240 -4.079 726 QH1 ARG 65 QH2 ARG 65 10.076 15.493 -7.303 727 QH2 ARG 65 QH1 ARG 65 13.210 16.104 -6.965 728 H TYR 66 H TYR 66 11.376 9.715 -4.671 729 HA TYR 66 HA TYR 66 14.314 9.656 -4.735 730 1HB TYR 66 1HB TYR 66 12.184 9.024 -2.686 731 2HB TYR 66 2HB TYR 66 13.793 8.380 -2.464 732 HD1 TYR 66 1HD TYR 66 15.754 9.767 -2.139 733 HD2 TYR 66 2HD TYR 66 11.821 11.508 -2.425 734 HE1 TYR 66 1HE TYR 66 16.653 11.928 -1.368 735 HE2 TYR 66 2HE TYR 66 12.722 13.694 -1.677 736 HH TYR 66 HH TYR 66 14.826 14.953 -1.313 737 QB TYR 66 QB TYR 66 12.989 8.702 -2.575 738 QG TYR 66 QD TYR 66 13.787 10.637 -2.282 739 QZ TYR 66 QE TYR 66 14.687 12.811 -1.523 740 QR TYR 66 QR TYR 66 14.237 11.724 -1.902 741 H GLY 67 H GLY 67 11.855 7.033 -4.249 742 1HA GLY 67 1HA GLY 67 12.197 5.203 -5.985 743 2HA GLY 67 2HA GLY 67 13.773 4.988 -5.202 744 QA GLY 67 QA GLY 67 12.985 5.096 -5.593 745 H GLU 68 H GLU 68 13.056 5.478 -2.626 746 HA GLU 68 HA GLU 68 10.521 4.410 -1.785 747 1HB GLU 68 1HB GLU 68 11.794 2.236 -1.970 748 2HB GLU 68 2HB GLU 68 12.998 2.890 -0.862 749 1HG GLU 68 1HG GLU 68 10.919 3.242 0.753 750 2HG GLU 68 2HG GLU 68 10.137 2.066 -0.288 751 QB GLU 68 QB GLU 68 12.396 2.563 -1.416 752 QG GLU 68 QG GLU 68 10.528 2.654 0.232 753 H GLU 69 H GLU 69 13.867 5.100 -0.718 754 HA GLU 69 HA GLU 69 13.408 5.545 1.924 755 1HB GLU 69 1HB GLU 69 15.574 6.178 0.041 756 2HB GLU 69 2HB GLU 69 15.468 7.402 1.286 757 1HG GLU 69 1HG GLU 69 15.643 4.413 1.816 758 2HG GLU 69 2HG GLU 69 17.001 5.527 1.862 759 QB GLU 69 QB GLU 69 15.521 6.790 0.664 760 QG GLU 69 QG GLU 69 16.322 4.970 1.839 761 H GLY 70 H GLY 70 13.020 7.918 -0.622 762 1HA GLY 70 1HA GLY 70 12.758 10.365 0.457 763 2HA GLY 70 2HA GLY 70 11.595 9.733 -0.702 764 QA GLY 70 QA GLY 70 12.176 10.049 -0.123 765 H LEU 71 H LEU 71 10.281 7.769 0.825 766 HA LEU 71 HA LEU 71 8.379 9.530 2.088 767 1HB LEU 71 1HB LEU 71 7.678 7.495 0.945 768 2HB LEU 71 2HB LEU 71 8.587 6.492 2.084 769 HG LEU 71 HG LEU 71 7.124 7.134 3.926 770 1HD1 LEU 71 3HD1 LEU 71 5.651 8.900 1.917 771 2HD1 LEU 71 1HD1 LEU 71 5.125 8.533 3.587 772 3HD1 LEU 71 2HD1 LEU 71 6.561 9.488 3.319 773 1HD2 LEU 71 3HD2 LEU 71 6.403 5.290 2.455 774 2HD2 LEU 71 1HD2 LEU 71 5.022 6.145 3.145 775 3HD2 LEU 71 2HD2 LEU 71 5.503 6.431 1.450 776 QB LEU 71 QB LEU 71 8.133 6.994 1.514 777 QD1 LEU 71 QD1 LEU 71 5.779 8.973 2.941 778 QD2 LEU 71 QD2 LEU 71 5.643 5.955 2.350 779 QQD LEU 71 QQD LEU 71 5.711 7.464 2.645 780 H LYS 72 H LYS 72 10.990 7.463 3.370 781 HA LYS 72 HA LYS 72 10.215 8.039 6.174 782 1HB LYS 72 1HB LYS 72 10.856 5.791 5.737 783 2HB LYS 72 2HB LYS 72 12.329 6.289 4.881 784 1HG LYS 72 1HG LYS 72 13.423 6.940 6.853 785 2HG LYS 72 2HG LYS 72 11.934 7.008 7.800 786 1HD LYS 72 1HD LYS 72 13.566 5.060 8.200 787 2HD LYS 72 2HD LYS 72 11.840 4.730 8.125 788 1HE LYS 72 1HE LYS 72 12.013 3.874 5.856 789 2HE LYS 72 2HE LYS 72 13.731 4.313 5.777 790 1HZ LYS 72 1HZ LYS 72 12.644 2.433 7.779 791 2HZ LYS 72 2HZ LYS 72 13.258 1.931 6.337 792 3HZ LYS 72 3HZ LYS 72 14.230 2.715 7.393 793 QB LYS 72 QB LYS 72 11.592 6.040 5.309 794 QG LYS 72 QG LYS 72 12.678 6.974 7.327 795 QD LYS 72 QD LYS 72 12.703 4.895 8.163 796 QE LYS 72 QE LYS 72 12.872 4.093 5.817 797 QZ LYS 72 QZ LYS 72 13.377 2.360 7.170 798 H GLY 73 H GLY 73 12.454 9.105 3.734 799 1HA GLY 73 1HA GLY 73 13.341 11.388 5.376 800 2HA GLY 73 2HA GLY 73 14.535 10.140 4.991 801 QA GLY 73 QA GLY 73 13.938 10.764 5.183 802 H SER 74 H SER 74 12.916 12.900 3.849 803 HA SER 74 HA SER 74 13.474 12.557 1.001 804 1HB SER 74 1HB SER 74 13.001 15.042 2.688 805 2HB SER 74 2HB SER 74 13.114 15.011 0.926 806 HG SER 74 HG SER 74 11.165 13.509 2.391 807 QB SER 74 QB SER 74 13.058 15.027 1.807 808 H GLY 75 H GLY 75 15.652 11.620 1.411 809 1HA GLY 75 1HA GLY 75 17.860 11.910 0.825 810 2HA GLY 75 2HA GLY 75 17.595 13.656 0.745 811 QA GLY 75 QA GLY 75 17.728 12.783 0.785 812 H CYS 76 H CYS 76 16.862 11.884 3.764 813 HA CYS 76 HA CYS 76 19.443 12.488 4.939 814 1HB CYS 76 1HB CYS 76 16.807 13.469 6.142 815 2HB CYS 76 2HB CYS 76 18.367 13.407 6.975 816 HG CYS 76 HG CYS 76 19.552 14.726 4.860 817 QB CYS 76 QB CYS 76 17.587 13.438 6.558 No H/Q in entry = 817 Start of MODEL 12 1 H MET 0 H MET 0 11.441 5.278 5.213 2 HA MET 0 HA MET 0 8.981 3.958 4.221 3 1HB MET 0 1HB MET 0 11.434 4.763 2.612 4 2HB MET 0 2HB MET 0 10.047 3.838 2.001 5 1HG MET 0 1HG MET 0 10.078 6.707 2.975 6 2HG MET 0 2HG MET 0 9.817 6.160 1.325 7 1HE MET 0 2HE MET 0 7.683 4.314 0.867 8 2HE MET 0 3HE MET 0 6.138 5.114 1.203 9 3HE MET 0 1HE MET 0 7.391 5.995 0.327 10 QB MET 0 QB MET 0 10.741 4.301 2.306 11 QG MET 0 QG MET 0 9.948 6.433 2.150 12 QE MET 0 QE MET 0 7.071 5.141 0.799 13 H GLY 1 H GLY 1 11.793 2.527 2.804 14 1HA GLY 1 1HA GLY 1 13.016 0.747 3.396 15 2HA GLY 1 2HA GLY 1 12.509 0.947 5.069 16 QA GLY 1 QA GLY 1 12.763 0.847 4.232 17 H LYS 2 H LYS 2 9.572 0.726 4.325 18 HA LYS 2 HA LYS 2 9.424 -2.205 4.252 19 1HB LYS 2 1HB LYS 2 7.298 -0.047 4.515 20 2HB LYS 2 2HB LYS 2 7.020 -1.774 4.533 21 1HG LYS 2 1HG LYS 2 7.345 -1.837 6.706 22 2HG LYS 2 2HG LYS 2 9.041 -1.486 6.436 23 1HD LYS 2 1HD LYS 2 8.233 0.003 8.086 24 2HD LYS 2 2HD LYS 2 8.525 0.961 6.635 25 1HE LYS 2 1HE LYS 2 6.073 0.871 6.117 26 2HE LYS 2 2HE LYS 2 5.819 -0.045 7.609 27 1HZ LYS 2 1HZ LYS 2 6.662 1.874 8.838 28 2HZ LYS 2 2HZ LYS 2 6.878 2.715 7.455 29 3HZ LYS 2 3HZ LYS 2 5.359 2.313 7.869 30 QB LYS 2 QB LYS 2 7.159 -0.910 4.524 31 QG LYS 2 QG LYS 2 8.193 -1.661 6.571 32 QD LYS 2 QD LYS 2 8.379 0.482 7.361 33 QE LYS 2 QE LYS 2 5.946 0.413 6.863 34 QZ LYS 2 QZ LYS 2 6.300 2.301 8.054 35 H ASP 3 H ASP 3 9.882 -0.128 1.753 36 HA ASP 3 HA ASP 3 9.498 0.004 -0.415 37 1HB ASP 3 1HB ASP 3 10.289 -2.229 -0.440 38 2HB ASP 3 2HB ASP 3 8.696 -2.881 -0.080 39 QB ASP 3 QB ASP 3 9.493 -2.555 -0.260 40 H TYR 4 H TYR 4 6.651 -1.110 1.363 41 HA TYR 4 HA TYR 4 4.646 -0.121 1.578 42 1HB TYR 4 1HB TYR 4 5.691 1.983 -0.332 43 2HB TYR 4 2HB TYR 4 4.043 1.919 0.251 44 HD1 TYR 4 2HD TYR 4 7.384 1.337 2.013 45 HD2 TYR 4 1HD TYR 4 3.705 3.585 1.835 46 HE1 TYR 4 2HE TYR 4 7.829 2.243 4.242 47 HE2 TYR 4 1HE TYR 4 4.194 4.553 4.063 48 HH TYR 4 HH TYR 4 5.585 4.306 6.016 49 QB TYR 4 QB TYR 4 4.867 1.951 -0.040 50 QG TYR 4 QD TYR 4 5.544 2.461 1.924 51 QZ TYR 4 QE TYR 4 6.012 3.398 4.153 52 QR TYR 4 QR TYR 4 5.778 2.929 3.038 53 H TYR 5 H TYR 5 5.567 -0.258 -1.902 54 HA TYR 5 HA TYR 5 3.078 -1.177 -2.968 55 1HB TYR 5 1HB TYR 5 5.997 -1.422 -3.798 56 2HB TYR 5 2HB TYR 5 4.704 -2.145 -4.689 57 HD1 TYR 5 1HD TYR 5 5.186 1.336 -3.185 58 HD2 TYR 5 2HD TYR 5 4.496 -1.045 -6.700 59 HE1 TYR 5 1HE TYR 5 4.937 3.386 -4.526 60 HE2 TYR 5 2HE TYR 5 4.363 0.972 -8.063 61 HH TYR 5 HH TYR 5 4.473 3.303 -8.086 62 QB TYR 5 QB TYR 5 5.351 -1.783 -4.243 63 QG TYR 5 QD TYR 5 4.841 0.146 -4.942 64 QZ TYR 5 QE TYR 5 4.650 2.179 -6.295 65 QR TYR 5 QR TYR 5 4.746 1.162 -5.619 66 H GLN 6 H GLN 6 6.080 -2.920 -1.910 67 HA GLN 6 HA GLN 6 4.905 -5.452 -2.022 68 1HB GLN 6 1HB GLN 6 7.353 -4.706 -1.848 69 2HB GLN 6 2HB GLN 6 7.143 -4.649 -0.108 70 1HG GLN 6 1HG GLN 6 6.294 -7.189 -1.429 71 2HG GLN 6 2HG GLN 6 8.003 -6.813 -1.603 72 1HE2 GLN 6 2HE2 GLN 6 8.768 -7.874 1.674 73 2HE2 GLN 6 1HE2 GLN 6 9.355 -7.513 0.074 74 QB GLN 6 QB GLN 6 7.248 -4.677 -0.978 75 QG GLN 6 QG GLN 6 7.149 -7.001 -1.516 76 QE2 GLN 6 QE2 GLN 6 9.061 -7.693 0.874 77 H THR 7 H THR 7 4.704 -3.061 0.625 78 HA THR 7 HA THR 7 3.689 -4.884 2.528 79 HB THR 7 HB THR 7 2.747 -2.013 2.273 80 HG1 THR 7 1HG THR 7 4.681 -1.841 3.843 81 1HG2 THR 7 3HG2 THR 7 1.629 -3.415 4.011 82 2HG2 THR 7 1HG2 THR 7 3.220 -3.763 4.711 83 3HG2 THR 7 2HG2 THR 7 2.556 -2.111 4.706 84 QG2 THR 7 QG2 THR 7 2.468 -3.096 4.476 85 H LEU 8 H LEU 8 2.165 -3.464 -0.268 86 HA LEU 8 HA LEU 8 -0.516 -4.505 0.464 87 1HB LEU 8 1HB LEU 8 0.575 -2.473 -1.325 88 2HB LEU 8 2HB LEU 8 -0.138 -3.712 -2.293 89 HG LEU 8 HG LEU 8 -1.421 -1.789 -0.355 90 1HD1 LEU 8 1HD1 LEU 8 -2.194 -2.730 -3.135 91 2HD1 LEU 8 2HD1 LEU 8 -3.055 -1.508 -2.213 92 3HD1 LEU 8 3HD1 LEU 8 -1.389 -1.199 -2.749 93 1HD2 LEU 8 2HD2 LEU 8 -2.848 -4.269 -1.316 94 2HD2 LEU 8 3HD2 LEU 8 -2.453 -3.867 0.387 95 3HD2 LEU 8 1HD2 LEU 8 -3.597 -2.885 -0.466 96 QB LEU 8 QB LEU 8 0.218 -3.092 -1.809 97 QD1 LEU 8 QD1 LEU 8 -2.213 -1.812 -2.699 98 QD2 LEU 8 QD2 LEU 8 -2.966 -3.674 -0.465 99 QQD LEU 8 QQD LEU 8 -2.589 -2.743 -1.582 100 H GLY 9 H GLY 9 2.388 -5.589 -1.041 101 1HA GLY 9 1HA GLY 9 2.815 -7.865 -1.516 102 2HA GLY 9 2HA GLY 9 1.087 -8.180 -1.730 103 QA GLY 9 QA GLY 9 1.951 -8.023 -1.623 104 H LEU 10 H LEU 10 3.424 -5.815 -3.047 105 HA LEU 10 HA LEU 10 2.944 -6.608 -5.853 106 1HB LEU 10 1HB LEU 10 2.939 -3.782 -4.726 107 2HB LEU 10 2HB LEU 10 2.845 -4.184 -6.418 108 HG LEU 10 HG LEU 10 0.682 -5.104 -4.486 109 1HD1 LEU 10 2HD1 LEU 10 0.848 -2.478 -5.991 110 2HD1 LEU 10 3HD1 LEU 10 -0.557 -3.097 -5.083 111 3HD1 LEU 10 1HD1 LEU 10 0.940 -2.702 -4.231 112 1HD2 LEU 10 3HD2 LEU 10 0.751 -4.626 -7.506 113 2HD2 LEU 10 1HD2 LEU 10 0.738 -6.203 -6.698 114 3HD2 LEU 10 2HD2 LEU 10 -0.661 -5.134 -6.571 115 QB LEU 10 QB LEU 10 2.892 -3.983 -5.572 116 QD1 LEU 10 QD1 LEU 10 0.410 -2.759 -5.102 117 QD2 LEU 10 QD2 LEU 10 0.276 -5.321 -6.925 118 QQD LEU 10 QQD LEU 10 0.343 -4.040 -6.013 119 H ALA 11 H ALA 11 4.656 -4.705 -6.950 120 HA ALA 11 HA ALA 11 7.033 -4.291 -5.355 121 1HB ALA 11 1HB ALA 11 7.487 -6.511 -6.465 122 2HB ALA 11 2HB ALA 11 7.135 -5.761 -8.044 123 3HB ALA 11 3HB ALA 11 8.529 -5.219 -7.088 124 QB ALA 11 QB ALA 11 7.717 -5.830 -7.199 125 H ARG 12 H ARG 12 8.500 -2.964 -6.756 126 HA ARG 12 HA ARG 12 7.372 -0.792 -8.258 127 1HB ARG 12 1HB ARG 12 10.059 -2.039 -7.849 128 2HB ARG 12 2HB ARG 12 9.843 -1.217 -9.386 129 1HG ARG 12 1HG ARG 12 10.800 0.313 -7.845 130 2HG ARG 12 2HG ARG 12 9.168 0.846 -8.249 131 1HD ARG 12 1HD ARG 12 8.332 0.018 -6.060 132 2HD ARG 12 2HD ARG 12 9.915 -0.675 -5.705 133 HE ARG 12 HE ARG 12 10.840 1.352 -5.325 134 1HH1 ARG 12 2HH2 ARG 12 7.497 1.845 -6.376 135 2HH1 ARG 12 1HH2 ARG 12 7.648 3.534 -6.673 136 1HH2 ARG 12 2HH1 ARG 12 11.005 3.675 -5.554 137 2HH2 ARG 12 1HH1 ARG 12 9.589 4.656 -5.670 138 QB ARG 12 QB ARG 12 9.951 -1.628 -8.618 139 QG ARG 12 QG ARG 12 9.984 0.579 -8.047 140 QD ARG 12 QD ARG 12 9.124 -0.329 -5.882 141 QH1 ARG 12 QH2 ARG 12 7.573 2.690 -6.525 142 QH2 ARG 12 QH1 ARG 12 10.297 4.166 -5.612 143 H GLY 13 H GLY 13 6.114 -1.080 -9.860 144 1HA GLY 13 1HA GLY 13 6.371 -1.784 -12.377 145 2HA GLY 13 2HA GLY 13 6.207 -3.401 -11.664 146 QA GLY 13 QA GLY 13 6.289 -2.592 -12.020 147 H ALA 14 H ALA 14 4.452 -2.416 -9.453 148 HA ALA 14 HA ALA 14 1.881 -2.527 -10.634 149 1HB ALA 14 2HB ALA 14 2.342 -3.038 -8.264 150 2HB ALA 14 3HB ALA 14 2.684 -1.317 -7.956 151 3HB ALA 14 1HB ALA 14 1.062 -1.822 -8.425 152 QB ALA 14 QB ALA 14 2.029 -2.059 -8.215 153 H SER 15 H SER 15 0.787 -1.063 -11.759 154 HA SER 15 HA SER 15 1.577 1.801 -11.787 155 1HB SER 15 1HB SER 15 -0.392 1.988 -13.332 156 2HB SER 15 2HB SER 15 0.843 0.865 -13.908 157 HG SER 15 HG SER 15 -0.430 -0.860 -13.303 158 QB SER 15 QB SER 15 0.226 1.426 -13.620 159 H ASP 16 H ASP 16 -0.189 3.423 -11.417 160 HA ASP 16 HA ASP 16 -0.891 3.174 -8.696 161 1HB ASP 16 1HB ASP 16 -0.479 5.335 -9.703 162 2HB ASP 16 2HB ASP 16 -1.798 5.107 -10.859 163 QB ASP 16 QB ASP 16 -1.139 5.221 -10.281 164 H GLU 17 H GLU 17 -2.473 2.234 -11.618 165 HA GLU 17 HA GLU 17 -5.214 1.943 -10.637 166 1HB GLU 17 1HB GLU 17 -4.585 2.223 -13.039 167 2HB GLU 17 2HB GLU 17 -3.722 0.680 -12.984 168 1HG GLU 17 1HG GLU 17 -5.854 -0.465 -12.394 169 2HG GLU 17 2HG GLU 17 -6.689 1.093 -12.444 170 QB GLU 17 QB GLU 17 -4.154 1.451 -13.012 171 QG GLU 17 QG GLU 17 -6.272 0.314 -12.419 172 H GLU 18 H GLU 18 -2.216 0.023 -10.606 173 HA GLU 18 HA GLU 18 -3.673 -2.456 -10.094 174 1HB GLU 18 1HB GLU 18 -1.334 -1.882 -11.361 175 2HB GLU 18 2HB GLU 18 -0.689 -2.257 -9.771 176 1HG GLU 18 1HG GLU 18 -1.876 -4.388 -9.663 177 2HG GLU 18 2HG GLU 18 -2.702 -4.041 -11.187 178 QB GLU 18 QB GLU 18 -1.011 -2.070 -10.566 179 QG GLU 18 QG GLU 18 -2.289 -4.215 -10.425 180 H ILE 19 H ILE 19 -1.770 0.013 -8.589 181 HA ILE 19 HA ILE 19 -1.612 -0.978 -5.967 182 HB ILE 19 HB ILE 19 -1.737 1.836 -7.014 183 1HG1 ILE 19 1HG1 ILE 19 0.383 0.208 -5.539 184 2HG1 ILE 19 2HG1 ILE 19 0.286 0.332 -7.290 185 1HG2 ILE 19 2HG2 ILE 19 -1.577 0.999 -4.087 186 2HG2 ILE 19 3HG2 ILE 19 -1.288 2.640 -4.715 187 3HG2 ILE 19 1HG2 ILE 19 -2.879 1.956 -4.828 188 1HD1 ILE 19 2HD1 ILE 19 0.715 2.713 -5.451 189 2HD1 ILE 19 3HD1 ILE 19 1.954 1.849 -6.359 190 3HD1 ILE 19 1HD1 ILE 19 0.669 2.728 -7.221 191 QG1 ILE 19 QG1 ILE 19 0.335 0.270 -6.414 192 QG2 ILE 19 QG2 ILE 19 -1.915 1.865 -4.543 193 QD1 ILE 19 QD1 ILE 19 1.112 2.430 -6.344 194 H LYS 20 H LYS 20 -4.147 1.229 -7.307 195 HA LYS 20 HA LYS 20 -5.958 0.895 -5.140 196 1HB LYS 20 1HB LYS 20 -6.183 1.958 -7.923 197 2HB LYS 20 2HB LYS 20 -7.671 1.476 -7.116 198 1HG LYS 20 1HG LYS 20 -7.342 3.785 -6.696 199 2HG LYS 20 2HG LYS 20 -7.190 2.913 -5.189 200 1HD LYS 20 1HD LYS 20 -4.987 3.459 -4.893 201 2HD LYS 20 2HD LYS 20 -4.597 3.417 -6.611 202 1HE LYS 20 1HE LYS 20 -6.287 5.612 -5.369 203 2HE LYS 20 2HE LYS 20 -4.522 5.730 -5.545 204 1HZ LYS 20 1HZ LYS 20 -6.235 5.176 -7.879 205 2HZ LYS 20 2HZ LYS 20 -5.913 6.703 -7.390 206 3HZ LYS 20 3HZ LYS 20 -4.698 5.708 -7.865 207 QB LYS 20 QB LYS 20 -6.927 1.717 -7.520 208 QG LYS 20 QG LYS 20 -7.266 3.349 -5.943 209 QD LYS 20 QD LYS 20 -4.792 3.438 -5.752 210 QE LYS 20 QE LYS 20 -5.404 5.671 -5.457 211 QZ LYS 20 QZ LYS 20 -5.615 5.862 -7.711 212 H ARG 21 H ARG 21 -5.493 -1.140 -8.007 213 HA ARG 21 HA ARG 21 -7.901 -2.649 -7.711 214 1HB ARG 21 1HB ARG 21 -6.381 -2.488 -9.726 215 2HB ARG 21 2HB ARG 21 -5.242 -3.544 -8.926 216 1HG ARG 21 1HG ARG 21 -6.946 -5.344 -8.857 217 2HG ARG 21 2HG ARG 21 -8.153 -4.235 -9.540 218 1HD ARG 21 1HD ARG 21 -6.786 -3.966 -11.584 219 2HD ARG 21 2HD ARG 21 -5.564 -5.062 -10.928 220 HE ARG 21 HE ARG 21 -8.150 -5.708 -12.102 221 1HH1 ARG 21 2HH2 ARG 21 -5.531 -6.942 -10.065 222 2HH1 ARG 21 1HH2 ARG 21 -6.058 -8.586 -10.129 223 1HH2 ARG 21 2HH1 ARG 21 -8.724 -7.868 -12.381 224 2HH2 ARG 21 1HH1 ARG 21 -7.821 -9.170 -11.619 225 QB ARG 21 QB ARG 21 -5.811 -3.016 -9.326 226 QG ARG 21 QG ARG 21 -7.549 -4.789 -9.198 227 QD ARG 21 QD ARG 21 -6.175 -4.514 -11.256 228 QH1 ARG 21 QH2 ARG 21 -5.794 -7.764 -10.097 229 QH2 ARG 21 QH1 ARG 21 -8.272 -8.519 -12.000 230 H ALA 22 H ALA 22 -4.559 -3.322 -6.761 231 HA ALA 22 HA ALA 22 -4.914 -5.661 -5.221 232 1HB ALA 22 2HB ALA 22 -2.876 -3.449 -5.071 233 2HB ALA 22 3HB ALA 22 -2.783 -4.951 -4.112 234 3HB ALA 22 1HB ALA 22 -2.754 -5.016 -5.885 235 QB ALA 22 QB ALA 22 -2.804 -4.472 -5.023 236 H TYR 23 H TYR 23 -5.009 -2.175 -4.139 237 HA TYR 23 HA TYR 23 -5.221 -2.218 -1.565 238 1HB TYR 23 1HB TYR 23 -5.779 -0.582 -3.734 239 2HB TYR 23 2HB TYR 23 -7.357 -0.762 -3.104 240 HD1 TYR 23 2HD TYR 23 -3.929 0.409 -2.453 241 HD2 TYR 23 1HD TYR 23 -8.128 0.755 -1.519 242 HE1 TYR 23 2HE TYR 23 -3.445 2.412 -1.121 243 HE2 TYR 23 1HE TYR 23 -7.653 2.817 -0.210 244 HH TYR 23 HH TYR 23 -4.335 3.946 0.378 245 QB TYR 23 QB TYR 23 -6.568 -0.672 -3.419 246 QG TYR 23 QD TYR 23 -6.029 0.582 -1.986 247 QZ TYR 23 QE TYR 23 -5.549 2.614 -0.665 248 QR TYR 23 QR TYR 23 -5.789 1.598 -1.326 249 H ARG 24 H ARG 24 -8.250 -2.650 -3.543 250 HA ARG 24 HA ARG 24 -9.713 -3.122 -1.135 251 1HB ARG 24 1HB ARG 24 -10.552 -2.221 -3.417 252 2HB ARG 24 2HB ARG 24 -10.763 -3.921 -3.866 253 1HG ARG 24 1HG ARG 24 -12.240 -4.265 -1.929 254 2HG ARG 24 2HG ARG 24 -11.890 -2.625 -1.348 255 1HD ARG 24 1HD ARG 24 -12.887 -1.700 -3.450 256 2HD ARG 24 2HD ARG 24 -13.399 -3.344 -3.893 257 HE ARG 24 HE ARG 24 -14.444 -1.573 -1.803 258 1HH1 ARG 24 2HH2 ARG 24 -14.655 -4.870 -3.126 259 2HH1 ARG 24 1HH2 ARG 24 -15.761 -5.408 -1.902 260 1HH2 ARG 24 2HH1 ARG 24 -15.587 -2.340 -0.113 261 2HH2 ARG 24 1HH1 ARG 24 -16.432 -3.833 -0.116 262 QB ARG 24 QB ARG 24 -10.657 -3.071 -3.642 263 QG ARG 24 QG ARG 24 -12.065 -3.445 -1.639 264 QD ARG 24 QD ARG 24 -13.143 -2.522 -3.671 265 QH1 ARG 24 QH2 ARG 24 -15.208 -5.139 -2.514 266 QH2 ARG 24 QH1 ARG 24 -16.010 -3.086 -0.114 267 H ARG 25 H ARG 25 -8.321 -5.409 -3.525 268 HA ARG 25 HA ARG 25 -9.555 -7.724 -2.263 269 1HB ARG 25 1HB ARG 25 -8.026 -9.107 -3.531 270 2HB ARG 25 2HB ARG 25 -8.768 -7.891 -4.578 271 1HG ARG 25 1HG ARG 25 -6.804 -6.611 -4.701 272 2HG ARG 25 2HG ARG 25 -6.002 -7.501 -3.391 273 1HD ARG 25 1HD ARG 25 -6.684 -8.663 -6.093 274 2HD ARG 25 2HD ARG 25 -5.129 -7.971 -5.669 275 HE ARG 25 HE ARG 25 -4.890 -9.651 -3.908 276 1HH1 ARG 25 2HH2 ARG 25 -7.040 -10.443 -6.638 277 2HH1 ARG 25 1HH2 ARG 25 -6.836 -12.157 -6.474 278 1HH2 ARG 25 2HH1 ARG 25 -4.627 -11.909 -3.708 279 2HH2 ARG 25 1HH1 ARG 25 -5.469 -13.003 -4.758 280 QB ARG 25 QB ARG 25 -8.397 -8.499 -4.055 281 QG ARG 25 QG ARG 25 -6.403 -7.056 -4.046 282 QD ARG 25 QD ARG 25 -5.907 -8.317 -5.881 283 QH1 ARG 25 QH2 ARG 25 -6.938 -11.300 -6.556 284 QH2 ARG 25 QH1 ARG 25 -5.048 -12.456 -4.233 285 H GLN 26 H GLN 26 -6.692 -5.747 -1.497 286 HA GLN 26 HA GLN 26 -5.700 -7.711 0.364 287 1HB GLN 26 1HB GLN 26 -4.880 -5.152 -0.819 288 2HB GLN 26 2HB GLN 26 -4.681 -5.049 0.885 289 1HG GLN 26 1HG GLN 26 -2.663 -6.060 0.216 290 2HG GLN 26 2HG GLN 26 -3.609 -7.426 0.726 291 1HE2 GLN 26 2HE2 GLN 26 -2.125 -8.487 -2.260 292 2HE2 GLN 26 1HE2 GLN 26 -2.273 -8.734 -0.555 293 QB GLN 26 QB GLN 26 -4.780 -5.100 0.033 294 QG GLN 26 QG GLN 26 -3.136 -6.743 0.471 295 QE2 GLN 26 QE2 GLN 26 -2.199 -8.611 -1.407 296 H ALA 27 H ALA 27 -7.406 -4.539 0.716 297 HA ALA 27 HA ALA 27 -7.524 -4.546 3.515 298 1HB ALA 27 2HB ALA 27 -9.569 -3.509 1.494 299 2HB ALA 27 3HB ALA 27 -9.525 -3.098 3.225 300 3HB ALA 27 1HB ALA 27 -8.172 -2.640 2.176 301 QB ALA 27 QB ALA 27 -9.089 -3.082 2.298 302 H LEU 28 H LEU 28 -9.889 -5.882 1.132 303 HA LEU 28 HA LEU 28 -11.530 -7.107 3.103 304 1HB LEU 28 1HB LEU 28 -12.159 -6.533 0.730 305 2HB LEU 28 2HB LEU 28 -11.191 -7.909 0.192 306 HG LEU 28 HG LEU 28 -12.696 -9.452 1.462 307 1HD1 LEU 28 1HD1 LEU 28 -14.261 -6.903 2.103 308 2HD1 LEU 28 2HD1 LEU 28 -14.885 -8.549 2.318 309 3HD1 LEU 28 3HD1 LEU 28 -13.516 -8.005 3.279 310 1HD2 LEU 28 3HD2 LEU 28 -13.132 -8.933 -0.897 311 2HD2 LEU 28 1HD2 LEU 28 -14.637 -9.221 -0.013 312 3HD2 LEU 28 2HD2 LEU 28 -14.150 -7.557 -0.422 313 QB LEU 28 QB LEU 28 -11.675 -7.221 0.461 314 QD1 LEU 28 QD1 LEU 28 -14.221 -7.819 2.567 315 QD2 LEU 28 QD2 LEU 28 -13.973 -8.570 -0.444 316 QQD LEU 28 QQD LEU 28 -14.097 -8.195 1.061 317 H ARG 29 H ARG 29 -8.392 -8.205 1.827 318 HA ARG 29 HA ARG 29 -8.819 -10.995 2.460 319 1HB ARG 29 1HB ARG 29 -7.078 -10.509 0.905 320 2HB ARG 29 2HB ARG 29 -6.331 -9.329 1.952 321 1HG ARG 29 1HG ARG 29 -5.081 -11.427 1.844 322 2HG ARG 29 2HG ARG 29 -5.558 -10.954 3.477 323 1HD ARG 29 1HD ARG 29 -7.146 -12.689 3.671 324 2HD ARG 29 2HD ARG 29 -7.269 -12.881 1.914 325 HE ARG 29 HE ARG 29 -4.613 -13.495 2.902 326 1HH1 ARG 29 2HH2 ARG 29 -7.830 -14.998 2.902 327 2HH1 ARG 29 1HH2 ARG 29 -7.176 -16.587 2.678 328 1HH2 ARG 29 2HH1 ARG 29 -3.838 -15.458 2.569 329 2HH2 ARG 29 1HH1 ARG 29 -4.832 -16.902 2.480 330 QB ARG 29 QB ARG 29 -6.705 -9.919 1.428 331 QG ARG 29 QG ARG 29 -5.320 -11.190 2.661 332 QD ARG 29 QD ARG 29 -7.207 -12.785 2.793 333 QH1 ARG 29 QH2 ARG 29 -7.503 -15.793 2.790 334 QH2 ARG 29 QH1 ARG 29 -4.335 -16.180 2.525 335 H TYR 30 H TYR 30 -6.881 -8.427 4.054 336 HA TYR 30 HA TYR 30 -6.641 -10.047 6.411 337 1HB TYR 30 1HB TYR 30 -5.741 -7.195 5.832 338 2HB TYR 30 2HB TYR 30 -5.184 -8.193 7.171 339 HD1 TYR 30 2HD TYR 30 -4.193 -10.545 6.514 340 HD2 TYR 30 1HD TYR 30 -4.448 -7.185 3.834 341 HE1 TYR 30 2HE TYR 30 -2.616 -11.645 5.014 342 HE2 TYR 30 1HE TYR 30 -2.671 -8.200 2.422 343 HH TYR 30 HH TYR 30 -1.280 -9.957 2.107 344 QB TYR 30 QB TYR 30 -5.462 -7.694 6.502 345 QG TYR 30 QD TYR 30 -4.321 -8.865 5.174 346 QZ TYR 30 QE TYR 30 -2.644 -9.922 3.718 347 QR TYR 30 QR TYR 30 -3.482 -9.394 4.446 348 H HIS 31 H HIS 31 -9.143 -7.933 5.526 349 HA HIS 31 HA HIS 31 -9.618 -6.259 7.531 350 1HB HIS 31 1HB HIS 31 -11.057 -7.238 5.341 351 2HB HIS 31 2HB HIS 31 -12.081 -7.638 6.663 352 HD1 HIS 31 1HD HIS 31 -11.714 -4.853 8.455 353 HD2 HIS 31 2HD HIS 31 -12.487 -5.352 4.330 354 HE1 HIS 31 1HE HIS 31 -12.929 -2.831 7.729 355 QB HIS 31 QB HIS 31 -11.569 -7.438 6.002 356 HA PRO 32 HA PRO 32 -10.008 -9.285 10.873 357 1HB PRO 32 1HB PRO 32 -10.041 -7.637 13.024 358 2HB PRO 32 2HB PRO 32 -8.574 -7.899 12.033 359 1HG PRO 32 1HG PRO 32 -10.577 -5.621 11.812 360 2HG PRO 32 2HG PRO 32 -8.791 -5.502 11.925 361 1HD PRO 32 1HD PRO 32 -10.072 -5.444 9.530 362 2HD PRO 32 2HD PRO 32 -8.509 -6.292 9.717 363 QB PRO 32 QB PRO 32 -9.308 -7.768 12.529 364 QG PRO 32 QG PRO 32 -9.684 -5.562 11.868 365 QD PRO 32 QD PRO 32 -9.290 -5.868 9.624 366 H ASP 33 H ASP 33 -12.501 -7.408 9.678 367 HA ASP 33 HA ASP 33 -14.441 -8.360 11.670 368 1HB ASP 33 1HB ASP 33 -16.113 -7.086 10.380 369 2HB ASP 33 2HB ASP 33 -14.849 -6.118 11.132 370 QB ASP 33 QB ASP 33 -15.481 -6.602 10.756 371 H LYS 34 H LYS 34 -13.725 -8.587 8.199 372 HA LYS 34 HA LYS 34 -15.567 -10.782 7.804 373 1HB LYS 34 1HB LYS 34 -15.239 -9.251 6.031 374 2HB LYS 34 2HB LYS 34 -13.499 -9.342 6.107 375 1HG LYS 34 1HG LYS 34 -15.170 -11.721 5.196 376 2HG LYS 34 2HG LYS 34 -14.711 -10.397 4.129 377 1HD LYS 34 1HD LYS 34 -12.263 -10.886 4.994 378 2HD LYS 34 2HD LYS 34 -12.924 -12.490 5.366 379 1HE LYS 34 1HE LYS 34 -13.483 -12.907 3.079 380 2HE LYS 34 2HE LYS 34 -13.283 -11.194 2.658 381 1HZ LYS 34 3HZ LYS 34 -10.952 -11.403 3.208 382 2HZ LYS 34 1HZ LYS 34 -11.085 -13.054 3.333 383 3HZ LYS 34 2HZ LYS 34 -11.377 -12.262 1.899 384 QB LYS 34 QB LYS 34 -14.369 -9.297 6.069 385 QG LYS 34 QG LYS 34 -14.940 -11.059 4.663 386 QD LYS 34 QD LYS 34 -12.593 -11.688 5.180 387 QE LYS 34 QE LYS 34 -13.383 -12.051 2.868 388 QZ LYS 34 QZ LYS 34 -11.138 -12.240 2.813 389 H ASN 35 H ASN 35 -11.963 -10.632 8.087 390 HA ASN 35 HA ASN 35 -11.901 -13.492 7.297 391 1HB ASN 35 1HB ASN 35 -10.291 -11.396 6.550 392 2HB ASN 35 2HB ASN 35 -9.351 -12.045 7.888 393 1HD2 ASN 35 2HD2 ASN 35 -7.865 -14.341 5.729 394 2HD2 ASN 35 1HD2 ASN 35 -7.631 -12.704 6.291 395 QB ASN 35 QB ASN 35 -9.821 -11.721 7.219 396 QD2 ASN 35 QD2 ASN 35 -7.748 -13.522 6.010 397 H LYS 36 H LYS 36 -11.094 -11.370 9.938 398 HA LYS 36 HA LYS 36 -10.469 -11.660 12.064 399 1HB LYS 36 1HB LYS 36 -12.238 -14.029 11.656 400 2HB LYS 36 2HB LYS 36 -11.636 -13.575 13.263 401 1HG LYS 36 1HG LYS 36 -12.541 -11.346 13.005 402 2HG LYS 36 2HG LYS 36 -13.186 -11.702 11.397 403 1HD LYS 36 1HD LYS 36 -14.849 -13.191 12.312 404 2HD LYS 36 2HD LYS 36 -14.061 -13.159 13.911 405 1HE LYS 36 1HE LYS 36 -14.342 -10.571 13.760 406 2HE LYS 36 2HE LYS 36 -15.500 -10.882 12.471 407 1HZ LYS 36 2HZ LYS 36 -15.695 -12.037 15.187 408 2HZ LYS 36 3HZ LYS 36 -16.351 -10.598 14.780 409 3HZ LYS 36 1HZ LYS 36 -16.888 -11.991 14.039 410 QB LYS 36 QB LYS 36 -11.937 -13.802 12.460 411 QG LYS 36 QG LYS 36 -12.863 -11.524 12.201 412 QD LYS 36 QD LYS 36 -14.455 -13.175 13.112 413 QE LYS 36 QE LYS 36 -14.921 -10.726 13.115 414 QZ LYS 36 QZ LYS 36 -16.311 -11.542 14.669 415 H GLU 37 H GLU 37 -8.601 -12.594 10.055 416 HA GLU 37 HA GLU 37 -7.495 -15.092 10.687 417 1HB GLU 37 1HB GLU 37 -7.475 -13.819 8.549 418 2HB GLU 37 2HB GLU 37 -6.204 -12.796 9.180 419 1HG GLU 37 1HG GLU 37 -5.790 -15.792 9.268 420 2HG GLU 37 2HG GLU 37 -5.881 -15.048 7.696 421 QB GLU 37 QB GLU 37 -6.839 -13.307 8.864 422 QG GLU 37 QG GLU 37 -5.836 -15.420 8.482 423 HA PRO 38 HA PRO 38 -5.859 -13.640 14.448 424 1HB PRO 38 1HB PRO 38 -4.004 -15.542 15.202 425 2HB PRO 38 2HB PRO 38 -5.777 -15.787 15.192 426 1HG PRO 38 1HG PRO 38 -3.779 -16.571 13.054 427 2HG PRO 38 2HG PRO 38 -5.103 -17.562 13.748 428 1HD PRO 38 1HD PRO 38 -5.373 -16.234 11.390 429 2HD PRO 38 2HD PRO 38 -6.741 -16.373 12.529 430 QB PRO 38 QB PRO 38 -4.890 -15.665 15.197 431 QG PRO 38 QG PRO 38 -4.441 -17.067 13.401 432 QD PRO 38 QD PRO 38 -6.057 -16.304 11.960 433 H GLY 39 H GLY 39 -4.692 -11.900 14.779 434 1HA GLY 39 1HA GLY 39 -2.805 -10.575 15.060 435 2HA GLY 39 2HA GLY 39 -1.794 -11.801 14.287 436 QA GLY 39 QA GLY 39 -2.299 -11.188 14.674 437 H ALA 40 H ALA 40 -4.374 -11.383 12.164 438 HA ALA 40 HA ALA 40 -2.828 -9.775 10.347 439 1HB ALA 40 3HB ALA 40 -4.404 -11.474 9.572 440 2HB ALA 40 1HB ALA 40 -5.757 -10.533 10.240 441 3HB ALA 40 2HB ALA 40 -4.800 -9.882 8.900 442 QB ALA 40 QB ALA 40 -4.987 -10.630 9.571 443 H GLU 41 H GLU 41 -4.597 -8.828 13.094 444 HA GLU 41 HA GLU 41 -5.586 -6.264 12.488 445 1HB GLU 41 1HB GLU 41 -5.734 -7.171 14.743 446 2HB GLU 41 2HB GLU 41 -3.990 -7.351 14.836 447 1HG GLU 41 1HG GLU 41 -3.723 -4.867 14.807 448 2HG GLU 41 2HG GLU 41 -5.474 -4.689 14.675 449 QB GLU 41 QB GLU 41 -4.862 -7.261 14.790 450 QG GLU 41 QG GLU 41 -4.599 -4.778 14.741 451 H GLU 42 H GLU 42 -2.260 -7.422 13.035 452 HA GLU 42 HA GLU 42 -1.016 -4.843 12.844 453 1HB GLU 42 1HB GLU 42 -0.165 -6.734 14.142 454 2HB GLU 42 2HB GLU 42 0.095 -7.677 12.665 455 1HG GLU 42 1HG GLU 42 1.774 -6.131 11.878 456 2HG GLU 42 2HG GLU 42 1.430 -4.990 13.182 457 QB GLU 42 QB GLU 42 -0.035 -7.205 13.403 458 QG GLU 42 QG GLU 42 1.602 -5.560 12.530 459 H LYS 43 H LYS 43 -1.307 -7.613 10.628 460 HA LYS 43 HA LYS 43 0.087 -6.611 8.444 461 1HB LYS 43 1HB LYS 43 -1.220 -8.919 8.939 462 2HB LYS 43 2HB LYS 43 -2.490 -8.162 8.029 463 1HG LYS 43 1HG LYS 43 -1.267 -9.482 6.492 464 2HG LYS 43 2HG LYS 43 -0.898 -7.807 6.120 465 1HD LYS 43 1HD LYS 43 1.089 -9.197 5.945 466 2HD LYS 43 2HD LYS 43 1.310 -8.059 7.277 467 1HE LYS 43 1HE LYS 43 0.812 -9.816 8.909 468 2HE LYS 43 2HE LYS 43 0.351 -10.947 7.622 469 1HZ LYS 43 3HZ LYS 43 3.097 -9.853 7.828 470 2HZ LYS 43 1HZ LYS 43 2.615 -11.223 8.580 471 3HZ LYS 43 2HZ LYS 43 2.570 -11.140 6.945 472 QB LYS 43 QB LYS 43 -1.855 -8.540 8.484 473 QG LYS 43 QG LYS 43 -1.082 -8.644 6.306 474 QD LYS 43 QD LYS 43 1.200 -8.628 6.611 475 QE LYS 43 QE LYS 43 0.582 -10.382 8.265 476 QZ LYS 43 QZ LYS 43 2.761 -10.739 7.784 477 H PHE 44 H PHE 44 -3.301 -6.282 9.284 478 HA PHE 44 HA PHE 44 -4.136 -4.667 7.084 479 1HB PHE 44 1HB PHE 44 -5.595 -6.055 8.557 480 2HB PHE 44 2HB PHE 44 -5.336 -4.924 9.867 481 HD1 PHE 44 1HD PHE 44 -6.833 -5.386 6.508 482 HD2 PHE 44 2HD PHE 44 -6.614 -2.792 9.962 483 HE1 PHE 44 1HE PHE 44 -8.779 -4.119 5.682 484 HE2 PHE 44 2HE PHE 44 -8.585 -1.553 9.130 485 1HZ PHE 44 HZ PHE 44 -9.641 -2.187 6.970 486 QB PHE 44 QB PHE 44 -5.466 -5.489 9.212 487 QG PHE 44 QD PHE 44 -6.723 -4.089 8.235 488 QZ PHE 44 QE PHE 44 -8.682 -2.836 7.406 489 QZ PHE 44 QR PHE 44 -8.090 -3.207 7.650 490 H LYS 45 H LYS 45 -3.025 -3.822 10.398 491 HA LYS 45 HA LYS 45 -3.169 -0.974 10.133 492 1HB LYS 45 1HB LYS 45 -1.780 -2.935 11.922 493 2HB LYS 45 2HB LYS 45 -1.037 -1.363 11.821 494 1HG LYS 45 1HG LYS 45 -4.019 -1.550 12.304 495 2HG LYS 45 2HG LYS 45 -2.910 -1.881 13.627 496 1HD LYS 45 1HD LYS 45 -2.836 0.701 11.999 497 2HD LYS 45 2HD LYS 45 -3.737 0.491 13.512 498 1HE LYS 45 1HE LYS 45 -1.594 -0.178 14.654 499 2HE LYS 45 2HE LYS 45 -0.711 0.210 13.171 500 1HZ LYS 45 3HZ LYS 45 -2.341 2.148 14.708 501 2HZ LYS 45 1HZ LYS 45 -0.726 2.043 14.797 502 3HZ LYS 45 2HZ LYS 45 -1.400 2.503 13.395 503 QB LYS 45 QB LYS 45 -1.409 -2.149 11.871 504 QG LYS 45 QG LYS 45 -3.464 -1.716 12.966 505 QD LYS 45 QD LYS 45 -3.286 0.596 12.756 506 QE LYS 45 QE LYS 45 -1.152 0.016 13.913 507 QZ LYS 45 QZ LYS 45 -1.489 2.231 14.300 508 H GLU 46 H GLU 46 -0.548 -3.296 9.091 509 HA GLU 46 HA GLU 46 1.201 -1.299 8.409 510 1HB GLU 46 1HB GLU 46 1.058 -4.087 8.367 511 2HB GLU 46 2HB GLU 46 1.417 -3.648 6.689 512 1HG GLU 46 1HG GLU 46 3.079 -1.994 8.053 513 2HG GLU 46 2HG GLU 46 2.992 -3.296 9.216 514 QB GLU 46 QB GLU 46 1.237 -3.867 7.528 515 QG GLU 46 QG GLU 46 3.035 -2.645 8.634 516 H ILE 47 H ILE 47 -1.231 -3.049 6.564 517 HA ILE 47 HA ILE 47 -1.259 -1.408 4.173 518 HB ILE 47 HB ILE 47 -3.227 -3.472 5.114 519 1HG1 ILE 47 1HG1 ILE 47 -0.926 -3.761 3.100 520 2HG1 ILE 47 2HG1 ILE 47 -0.760 -4.262 4.778 521 1HG2 ILE 47 2HG2 ILE 47 -4.065 -1.948 3.232 522 2HG2 ILE 47 3HG2 ILE 47 -2.667 -2.431 2.278 523 3HG2 ILE 47 1HG2 ILE 47 -3.924 -3.600 2.759 524 1HD1 ILE 47 2HD1 ILE 47 -2.746 -5.695 4.558 525 2HD1 ILE 47 3HD1 ILE 47 -2.721 -5.391 2.794 526 3HD1 ILE 47 1HD1 ILE 47 -1.332 -6.171 3.578 527 QG1 ILE 47 QG1 ILE 47 -0.843 -4.012 3.939 528 QG2 ILE 47 QG2 ILE 47 -3.552 -2.660 2.757 529 QD1 ILE 47 QD1 ILE 47 -2.266 -5.753 3.643 530 H ALA 48 H ALA 48 -1.327 0.178 6.460 531 HA ALA 48 HA ALA 48 -3.886 1.587 6.058 532 1HB ALA 48 2HB ALA 48 -3.735 0.529 8.431 533 2HB ALA 48 3HB ALA 48 -2.464 1.715 8.740 534 3HB ALA 48 1HB ALA 48 -4.082 2.263 8.310 535 QB ALA 48 QB ALA 48 -3.427 1.502 8.494 536 H GLU 49 H GLU 49 -0.602 1.836 7.492 537 HA GLU 49 HA GLU 49 -0.282 4.584 6.627 538 1HB GLU 49 1HB GLU 49 0.551 3.779 8.716 539 2HB GLU 49 2HB GLU 49 1.571 2.574 7.970 540 1HG GLU 49 1HG GLU 49 1.945 5.500 7.235 541 2HG GLU 49 2HG GLU 49 2.431 4.968 8.836 542 QB GLU 49 QB GLU 49 1.061 3.176 8.343 543 QG GLU 49 QG GLU 49 2.188 5.234 8.035 544 H ALA 50 H ALA 50 0.769 1.398 5.368 545 HA ALA 50 HA ALA 50 2.480 2.583 3.312 546 1HB ALA 50 2HB ALA 50 1.193 -0.170 3.488 547 2HB ALA 50 3HB ALA 50 2.401 0.351 2.297 548 3HB ALA 50 1HB ALA 50 2.841 0.274 4.009 549 QB ALA 50 QB ALA 50 2.145 0.152 3.265 550 H TYR 51 H TYR 51 -0.796 1.534 3.742 551 HA TYR 51 HA TYR 51 -1.784 1.520 1.074 552 1HB TYR 51 1HB TYR 51 -2.560 0.314 3.083 553 2HB TYR 51 2HB TYR 51 -3.114 1.815 3.788 554 HD1 TYR 51 1HD TYR 51 -3.689 -0.619 1.029 555 HD2 TYR 51 2HD TYR 51 -5.335 2.544 3.473 556 HE1 TYR 51 1HE TYR 51 -5.986 -1.394 0.510 557 HE2 TYR 51 2HE TYR 51 -7.602 1.822 2.886 558 HH TYR 51 HH TYR 51 -8.801 -0.152 2.134 559 QB TYR 51 QB TYR 51 -2.837 1.064 3.436 560 QG TYR 51 QD TYR 51 -4.512 0.963 2.251 561 QZ TYR 51 QE TYR 51 -6.794 0.214 1.698 562 QR TYR 51 QR TYR 51 -5.653 0.588 1.975 563 H ASP 52 H ASP 52 -1.908 4.033 3.693 564 HA ASP 52 HA ASP 52 -3.478 5.879 2.312 565 1HB ASP 52 1HB ASP 52 -2.682 5.860 4.779 566 2HB ASP 52 2HB ASP 52 -1.240 6.679 4.208 567 QB ASP 52 QB ASP 52 -1.961 6.270 4.494 568 H VAL 53 H VAL 53 0.091 5.671 2.505 569 HA VAL 53 HA VAL 53 0.712 7.824 0.750 570 HB VAL 53 HB VAL 53 2.090 5.293 1.730 571 1HG1 VAL 53 1HG1 VAL 53 3.231 7.071 -0.452 572 2HG1 VAL 53 2HG1 VAL 53 4.207 5.983 0.567 573 3HG1 VAL 53 3HG1 VAL 53 2.983 5.316 -0.496 574 1HG2 VAL 53 1HG2 VAL 53 1.929 7.253 3.182 575 2HG2 VAL 53 2HG2 VAL 53 3.613 6.904 2.752 576 3HG2 VAL 53 3HG2 VAL 53 2.753 8.245 1.953 577 QG1 VAL 53 QG1 VAL 53 3.474 6.123 -0.127 578 QG2 VAL 53 QG2 VAL 53 2.765 7.467 2.629 579 QQG VAL 53 QQG VAL 53 3.119 6.795 1.251 580 H LEU 54 H LEU 54 0.208 4.327 0.182 581 HA LEU 54 HA LEU 54 0.986 4.322 -2.518 582 1HB LEU 54 1HB LEU 54 -0.674 2.556 -0.761 583 2HB LEU 54 2HB LEU 54 -0.657 2.322 -2.493 584 HG LEU 54 HG LEU 54 1.976 2.552 -1.044 585 1HD1 LEU 54 3HD1 LEU 54 0.065 0.243 -1.073 586 2HD1 LEU 54 1HD1 LEU 54 1.757 -0.104 -1.401 587 3HD1 LEU 54 2HD1 LEU 54 1.326 0.699 0.110 588 1HD2 LEU 54 3HD2 LEU 54 1.938 2.653 -3.550 589 2HD2 LEU 54 1HD2 LEU 54 2.765 1.233 -2.930 590 3HD2 LEU 54 2HD2 LEU 54 1.129 1.077 -3.574 591 QB LEU 54 QB LEU 54 -0.665 2.439 -1.627 592 QD1 LEU 54 QD1 LEU 54 1.049 0.279 -0.788 593 QD2 LEU 54 QD2 LEU 54 1.944 1.655 -3.351 594 QQD LEU 54 QQD LEU 54 1.497 0.967 -2.070 595 H SER 55 H SER 55 -2.203 5.129 -1.066 596 HA SER 55 HA SER 55 -3.403 5.418 -3.704 597 1HB SER 55 1HB SER 55 -5.254 6.485 -2.493 598 2HB SER 55 2HB SER 55 -4.835 4.891 -1.909 599 HG SER 55 HG SER 55 -3.443 6.685 -0.438 600 QB SER 55 QB SER 55 -5.044 5.688 -2.201 601 H ASP 56 H ASP 56 -1.398 7.571 -1.744 602 HA ASP 56 HA ASP 56 -2.870 9.947 -2.433 603 1HB ASP 56 1HB ASP 56 -1.836 9.665 -0.261 604 2HB ASP 56 2HB ASP 56 -0.242 9.467 -0.983 605 QB ASP 56 QB ASP 56 -1.039 9.566 -0.622 606 HA PRO 57 HA PRO 57 -0.489 9.884 -6.221 607 1HB PRO 57 1HB PRO 57 -1.695 11.920 -7.649 608 2HB PRO 57 2HB PRO 57 -2.502 10.353 -7.350 609 1HG PRO 57 1HG PRO 57 -2.783 12.928 -5.768 610 2HG PRO 57 2HG PRO 57 -4.090 11.898 -6.425 611 1HD PRO 57 1HD PRO 57 -3.249 11.699 -3.837 612 2HD PRO 57 2HD PRO 57 -3.730 10.248 -4.771 613 QB PRO 57 QB PRO 57 -2.099 11.137 -7.500 614 QG PRO 57 QG PRO 57 -3.437 12.413 -6.097 615 QD PRO 57 QD PRO 57 -3.489 10.974 -4.304 616 H ARG 58 H ARG 58 -0.417 12.439 -3.911 617 HA ARG 58 HA ARG 58 1.563 14.005 -5.547 618 1HB ARG 58 1HB ARG 58 -0.168 14.712 -3.126 619 2HB ARG 58 2HB ARG 58 1.127 15.735 -3.767 620 1HG ARG 58 1HG ARG 58 -0.025 15.928 -5.916 621 2HG ARG 58 2HG ARG 58 -1.306 14.837 -5.371 622 1HD ARG 58 1HD ARG 58 -1.988 17.206 -5.254 623 2HD ARG 58 2HD ARG 58 -2.040 16.384 -3.693 624 HE ARG 58 HE ARG 58 0.167 17.394 -3.176 625 1HH1 ARG 58 2HH2 ARG 58 -2.057 19.198 -5.337 626 2HH1 ARG 58 1HH2 ARG 58 -1.483 20.731 -4.812 627 1HH2 ARG 58 2HH1 ARG 58 1.111 19.370 -2.782 628 2HH2 ARG 58 1HH1 ARG 58 0.256 20.839 -3.217 629 QB ARG 58 QB ARG 58 0.479 15.224 -3.447 630 QG ARG 58 QG ARG 58 -0.666 15.382 -5.644 631 QD ARG 58 QD ARG 58 -2.014 16.795 -4.474 632 QH1 ARG 58 QH2 ARG 58 -1.770 19.965 -5.075 633 QH2 ARG 58 QH1 ARG 58 0.683 20.105 -2.999 634 H LYS 59 H LYS 59 1.004 12.403 -2.362 635 HA LYS 59 HA LYS 59 3.783 12.940 -1.624 636 1HB LYS 59 1HB LYS 59 1.838 12.427 0.030 637 2HB LYS 59 2HB LYS 59 2.028 10.744 -0.456 638 1HG LYS 59 1HG LYS 59 3.407 10.755 1.368 639 2HG LYS 59 2HG LYS 59 4.598 11.199 0.162 640 1HD LYS 59 1HD LYS 59 3.147 13.068 2.092 641 2HD LYS 59 2HD LYS 59 4.846 12.572 2.148 642 1HE LYS 59 1HE LYS 59 5.077 13.674 -0.169 643 2HE LYS 59 2HE LYS 59 3.477 14.384 0.122 644 1HZ LYS 59 3HZ LYS 59 4.452 15.437 2.124 645 2HZ LYS 59 1HZ LYS 59 5.934 14.806 1.712 646 3HZ LYS 59 2HZ LYS 59 5.187 15.889 0.743 647 QB LYS 59 QB LYS 59 1.933 11.586 -0.213 648 QG LYS 59 QG LYS 59 4.002 10.977 0.765 649 QD LYS 59 QD LYS 59 3.996 12.820 2.120 650 QE LYS 59 QE LYS 59 4.277 14.029 -0.023 651 QZ LYS 59 QZ LYS 59 5.191 15.377 1.527 652 H ARG 60 H ARG 60 1.962 10.063 -3.097 653 HA ARG 60 HA ARG 60 4.397 8.648 -3.236 654 1HB ARG 60 1HB ARG 60 1.751 7.981 -3.621 655 2HB ARG 60 2HB ARG 60 2.343 8.004 -5.296 656 1HG ARG 60 1HG ARG 60 4.291 6.544 -4.458 657 2HG ARG 60 2HG ARG 60 3.483 6.606 -2.867 658 1HD ARG 60 1HD ARG 60 2.825 4.568 -3.799 659 2HD ARG 60 2HD ARG 60 1.440 5.658 -3.984 660 HE ARG 60 HE ARG 60 3.341 4.791 -6.138 661 1HH1 ARG 60 2HH2 ARG 60 0.003 5.762 -5.339 662 2HH1 ARG 60 1HH2 ARG 60 -0.461 6.032 -6.967 663 1HH2 ARG 60 2HH1 ARG 60 2.767 5.199 -8.289 664 2HH2 ARG 60 1HH1 ARG 60 1.264 5.965 -8.656 665 QB ARG 60 QB ARG 60 2.047 7.992 -4.458 666 QG ARG 60 QG ARG 60 3.887 6.575 -3.662 667 QD ARG 60 QD ARG 60 2.132 5.113 -3.891 668 QH1 ARG 60 QH2 ARG 60 -0.229 5.897 -6.153 669 QH2 ARG 60 QH1 ARG 60 2.016 5.582 -8.473 670 H GLU 61 H GLU 61 3.188 11.251 -5.320 671 HA GLU 61 HA GLU 61 4.575 10.652 -7.674 672 1HB GLU 61 1HB GLU 61 3.088 12.520 -7.380 673 2HB GLU 61 2HB GLU 61 4.114 13.297 -6.218 674 1HG GLU 61 1HG GLU 61 5.007 12.790 -9.068 675 2HG GLU 61 2HG GLU 61 3.976 14.151 -8.672 676 QB GLU 61 QB GLU 61 3.601 12.909 -6.799 677 QG GLU 61 QG GLU 61 4.492 13.471 -8.870 678 H ILE 62 H ILE 62 5.763 11.929 -4.635 679 HA ILE 62 HA ILE 62 8.456 12.373 -5.537 680 HB ILE 62 HB ILE 62 7.644 11.959 -2.638 681 1HG1 ILE 62 1HG1 ILE 62 7.379 14.542 -4.247 682 2HG1 ILE 62 2HG1 ILE 62 6.038 13.587 -3.612 683 1HG2 ILE 62 3HG2 ILE 62 10.032 12.095 -3.214 684 2HG2 ILE 62 1HG2 ILE 62 9.779 13.657 -4.025 685 3HG2 ILE 62 2HG2 ILE 62 9.578 13.499 -2.277 686 1HD1 ILE 62 1HD1 ILE 62 6.900 13.923 -1.297 687 2HD1 ILE 62 2HD1 ILE 62 8.104 15.055 -1.946 688 3HD1 ILE 62 3HD1 ILE 62 6.386 15.419 -2.127 689 QG1 ILE 62 QG1 ILE 62 6.708 14.065 -3.930 690 QG2 ILE 62 QG2 ILE 62 9.796 13.084 -3.172 691 QD1 ILE 62 QD1 ILE 62 7.130 14.799 -1.790 692 H PHE 63 H PHE 63 6.969 9.676 -3.595 693 HA PHE 63 HA PHE 63 9.426 8.162 -3.489 694 1HB PHE 63 1HB PHE 63 7.564 7.883 -1.893 695 2HB PHE 63 2HB PHE 63 6.491 7.372 -3.180 696 HD1 PHE 63 1HD PHE 63 9.504 6.406 -1.206 697 HD2 PHE 63 2HD PHE 63 6.427 5.093 -3.922 698 HE1 PHE 63 1HE PHE 63 10.022 4.024 -0.664 699 HE2 PHE 63 2HE PHE 63 6.985 2.715 -3.368 700 1HZ PHE 63 HZ PHE 63 8.732 2.203 -1.718 701 QB PHE 63 QB PHE 63 7.027 7.628 -2.537 702 QG PHE 63 QD PHE 63 7.965 5.750 -2.564 703 QZ PHE 63 QE PHE 63 8.504 3.370 -2.016 704 QZ PHE 63 QR PHE 63 8.334 4.088 -2.176 705 H ASP 64 H ASP 64 6.938 8.537 -5.922 706 HA ASP 64 HA ASP 64 7.592 6.245 -7.534 707 1HB ASP 64 1HB ASP 64 5.371 7.280 -7.637 708 2HB ASP 64 2HB ASP 64 6.085 8.825 -8.108 709 QB ASP 64 QB ASP 64 5.728 8.053 -7.873 710 H ARG 65 H ARG 65 8.562 9.719 -7.500 711 HA ARG 65 HA ARG 65 10.135 9.431 -9.947 712 1HB ARG 65 1HB ARG 65 9.369 11.573 -9.636 713 2HB ARG 65 2HB ARG 65 9.728 11.587 -7.932 714 1HG ARG 65 1HG ARG 65 11.914 12.159 -8.187 715 2HG ARG 65 2HG ARG 65 12.101 11.317 -9.712 716 1HD ARG 65 1HD ARG 65 12.349 13.765 -9.911 717 2HD ARG 65 2HD ARG 65 11.134 13.046 -10.977 718 HE ARG 65 HE ARG 65 9.818 13.943 -8.622 719 1HH1 ARG 65 2HH2 ARG 65 11.693 15.447 -11.244 720 2HH1 ARG 65 1HH2 ARG 65 10.636 16.804 -11.416 721 1HH2 ARG 65 2HH1 ARG 65 8.288 15.596 -9.058 722 2HH2 ARG 65 1HH1 ARG 65 8.716 16.967 -10.050 723 QB ARG 65 QB ARG 65 9.549 11.580 -8.784 724 QG ARG 65 QG ARG 65 12.008 11.738 -8.949 725 QD ARG 65 QD ARG 65 11.741 13.405 -10.444 726 QH1 ARG 65 QH2 ARG 65 11.164 16.126 -11.330 727 QH2 ARG 65 QH1 ARG 65 8.502 16.281 -9.554 728 H TYR 66 H TYR 66 10.925 9.917 -6.494 729 HA TYR 66 HA TYR 66 13.669 8.940 -7.018 730 1HB TYR 66 1HB TYR 66 12.618 10.135 -4.418 731 2HB TYR 66 2HB TYR 66 14.279 9.889 -4.959 732 HD1 TYR 66 1HD TYR 66 15.114 11.250 -6.990 733 HD2 TYR 66 2HD TYR 66 11.498 12.170 -4.842 734 HE1 TYR 66 1HE TYR 66 15.117 13.516 -7.958 735 HE2 TYR 66 2HE TYR 66 11.480 14.455 -5.804 736 HH TYR 66 HH TYR 66 12.522 15.914 -7.506 737 QB TYR 66 QB TYR 66 13.449 10.012 -4.689 738 QG TYR 66 QD TYR 66 13.306 11.710 -5.916 739 QZ TYR 66 QE TYR 66 13.299 13.985 -6.881 740 QR TYR 66 QR TYR 66 13.302 12.848 -6.399 741 H GLY 67 H GLY 67 11.901 8.447 -3.973 742 1HA GLY 67 1HA GLY 67 11.032 5.872 -3.941 743 2HA GLY 67 2HA GLY 67 12.783 5.643 -4.100 744 QA GLY 67 QA GLY 67 11.907 5.757 -4.020 745 H GLU 68 H GLU 68 12.610 4.562 -2.003 746 HA GLU 68 HA GLU 68 11.899 5.872 0.415 747 1HB GLU 68 1HB GLU 68 13.433 4.177 1.462 748 2HB GLU 68 2HB GLU 68 12.165 3.502 0.435 749 1HG GLU 68 1HG GLU 68 13.703 3.008 -1.337 750 2HG GLU 68 2HG GLU 68 14.983 3.980 -0.615 751 QB GLU 68 QB GLU 68 12.799 3.839 0.949 752 QG GLU 68 QG GLU 68 14.343 3.494 -0.976 753 H GLU 69 H GLU 69 14.868 5.907 -1.494 754 HA GLU 69 HA GLU 69 16.506 7.365 0.345 755 1HB GLU 69 1HB GLU 69 17.990 7.525 -1.539 756 2HB GLU 69 2HB GLU 69 17.362 5.897 -1.454 757 1HG GLU 69 1HG GLU 69 16.315 5.981 -3.461 758 2HG GLU 69 2HG GLU 69 15.699 7.599 -3.225 759 QB GLU 69 QB GLU 69 17.676 6.711 -1.497 760 QG GLU 69 QG GLU 69 16.007 6.790 -3.343 761 H GLY 70 H GLY 70 13.727 8.442 -1.010 762 1HA GLY 70 1HA GLY 70 14.683 11.169 -1.804 763 2HA GLY 70 2HA GLY 70 13.920 10.072 -2.870 764 QA GLY 70 QA GLY 70 14.301 10.620 -2.337 765 H LEU 71 H LEU 71 12.447 9.655 0.186 766 HA LEU 71 HA LEU 71 9.971 10.578 -0.885 767 1HB LEU 71 1HB LEU 71 10.227 8.855 0.945 768 2HB LEU 71 2HB LEU 71 10.709 10.151 2.042 769 HG LEU 71 HG LEU 71 8.402 11.233 1.600 770 1HD1 LEU 71 1HD1 LEU 71 7.834 8.480 0.421 771 2HD1 LEU 71 2HD1 LEU 71 6.626 9.726 0.792 772 3HD1 LEU 71 3HD1 LEU 71 7.816 10.020 -0.478 773 1HD2 LEU 71 1HD2 LEU 71 8.589 8.544 2.943 774 2HD2 LEU 71 2HD2 LEU 71 8.856 10.138 3.672 775 3HD2 LEU 71 3HD2 LEU 71 7.234 9.682 3.130 776 QB LEU 71 QB LEU 71 10.468 9.503 1.493 777 QD1 LEU 71 QD1 LEU 71 7.426 9.408 0.245 778 QD2 LEU 71 QD2 LEU 71 8.226 9.455 3.248 779 QQD LEU 71 QQD LEU 71 7.826 9.432 1.747 780 H LYS 72 H LYS 72 12.447 12.260 0.997 781 HA LYS 72 HA LYS 72 10.687 14.582 1.410 782 1HB LYS 72 1HB LYS 72 12.572 13.510 3.030 783 2HB LYS 72 2HB LYS 72 13.594 14.635 2.132 784 1HG LYS 72 1HG LYS 72 12.832 15.830 4.025 785 2HG LYS 72 2HG LYS 72 11.847 16.437 2.692 786 1HD LYS 72 1HD LYS 72 10.129 14.541 3.533 787 2HD LYS 72 2HD LYS 72 11.129 14.602 4.981 788 1HE LYS 72 1HE LYS 72 9.475 16.193 5.475 789 2HE LYS 72 2HE LYS 72 10.795 17.188 4.848 790 1HZ LYS 72 1HZ LYS 72 9.561 16.850 2.603 791 2HZ LYS 72 2HZ LYS 72 8.267 16.472 3.548 792 3HZ LYS 72 3HZ LYS 72 8.992 17.942 3.692 793 QB LYS 72 QB LYS 72 13.083 14.073 2.581 794 QG LYS 72 QG LYS 72 12.339 16.133 3.358 795 QD LYS 72 QD LYS 72 10.629 14.572 4.257 796 QE LYS 72 QE LYS 72 10.135 16.691 5.161 797 QZ LYS 72 QZ LYS 72 8.940 17.088 3.281 798 H GLY 73 H GLY 73 12.341 13.499 -1.251 799 1HA GLY 73 1HA GLY 73 14.042 15.540 -2.074 800 2HA GLY 73 2HA GLY 73 13.128 14.454 -3.137 801 QA GLY 73 QA GLY 73 13.585 14.997 -2.605 802 H SER 74 H SER 74 13.556 17.630 -2.187 803 HA SER 74 HA SER 74 12.582 19.596 -2.387 804 1HB SER 74 1HB SER 74 10.511 18.317 -4.188 805 2HB SER 74 2HB SER 74 10.698 20.044 -3.867 806 HG SER 74 HG SER 74 12.850 18.463 -4.802 807 QB SER 74 QB SER 74 10.604 19.181 -4.028 808 H GLY 75 H GLY 75 12.092 20.050 -0.404 809 1HA GLY 75 1HA GLY 75 9.988 18.845 1.199 810 2HA GLY 75 2HA GLY 75 11.006 20.246 1.577 811 QA GLY 75 QA GLY 75 10.497 19.546 1.388 812 H CYS 76 H CYS 76 10.699 22.008 -0.168 813 HA CYS 76 HA CYS 76 9.463 23.907 -0.466 814 1HB CYS 76 1HB CYS 76 7.970 23.525 -2.512 815 2HB CYS 76 2HB CYS 76 9.684 23.136 -2.637 816 HG CYS 76 HG CYS 76 7.451 20.918 -1.676 817 QB CYS 76 QB CYS 76 8.827 23.331 -2.574 No H/Q in entry = 817 Start of MODEL 13 1 H MET 0 H MET 0 12.909 0.016 -0.331 2 HA MET 0 HA MET 0 13.125 -2.256 -1.149 3 1HB MET 0 1HB MET 0 14.610 -2.739 -2.703 4 2HB MET 0 2HB MET 0 15.233 -1.108 -2.638 5 1HG MET 0 1HG MET 0 17.129 -2.359 -2.386 6 2HG MET 0 2HG MET 0 16.771 -1.966 -0.718 7 1HE MET 0 2HE MET 0 18.384 -3.748 0.176 8 2HE MET 0 3HE MET 0 18.382 -5.472 -0.254 9 3HE MET 0 1HE MET 0 18.883 -4.269 -1.449 10 QB MET 0 QB MET 0 14.922 -1.924 -2.671 11 QG MET 0 QG MET 0 16.950 -2.162 -1.552 12 QE MET 0 QE MET 0 18.550 -4.496 -0.509 13 H GLY 1 H GLY 1 13.901 -3.929 0.245 14 1HA GLY 1 1HA GLY 1 14.753 -4.763 2.291 15 2HA GLY 1 2HA GLY 1 15.235 -3.134 2.776 16 QA GLY 1 QA GLY 1 14.994 -3.948 2.534 17 H LYS 2 H LYS 2 12.837 -1.864 2.047 18 HA LYS 2 HA LYS 2 10.479 -3.220 2.889 19 1HB LYS 2 1HB LYS 2 11.478 -1.850 4.943 20 2HB LYS 2 2HB LYS 2 11.012 -0.449 3.990 21 1HG LYS 2 1HG LYS 2 8.624 -1.340 3.987 22 2HG LYS 2 2HG LYS 2 9.195 -2.672 5.006 23 1HD LYS 2 1HD LYS 2 8.265 -1.089 6.514 24 2HD LYS 2 2HD LYS 2 10.012 -0.909 6.645 25 1HE LYS 2 1HE LYS 2 9.262 1.304 6.554 26 2HE LYS 2 2HE LYS 2 9.807 0.994 4.909 27 1HZ LYS 2 3HZ LYS 2 7.458 0.578 4.340 28 2HZ LYS 2 1HZ LYS 2 7.044 0.987 5.910 29 3HZ LYS 2 2HZ LYS 2 7.708 2.102 4.909 30 QB LYS 2 QB LYS 2 11.245 -1.150 4.467 31 QG LYS 2 QG LYS 2 8.910 -2.006 4.496 32 QD LYS 2 QD LYS 2 9.138 -0.999 6.580 33 QE LYS 2 QE LYS 2 9.534 1.149 5.732 34 QZ LYS 2 QZ LYS 2 7.403 1.222 5.053 35 H ASP 3 H ASP 3 8.679 -1.621 2.054 36 HA ASP 3 HA ASP 3 9.082 0.723 0.613 37 1HB ASP 3 1HB ASP 3 10.157 -0.385 -1.176 38 2HB ASP 3 2HB ASP 3 9.145 -1.811 -1.031 39 QB ASP 3 QB ASP 3 9.651 -1.098 -1.104 40 H TYR 4 H TYR 4 6.741 0.392 -0.991 41 HA TYR 4 HA TYR 4 4.642 -0.553 0.867 42 1HB TYR 4 1HB TYR 4 4.714 1.869 -0.969 43 2HB TYR 4 2HB TYR 4 3.336 1.378 0.005 44 HD1 TYR 4 1HD TYR 4 4.017 0.877 2.617 45 HD2 TYR 4 2HD TYR 4 6.179 3.530 -0.020 46 HE1 TYR 4 1HE TYR 4 4.881 2.041 4.546 47 HE2 TYR 4 2HE TYR 4 7.105 4.692 1.939 48 HH TYR 4 HH TYR 4 6.097 3.860 5.305 49 QB TYR 4 QB TYR 4 4.025 1.623 -0.482 50 QG TYR 4 QD TYR 4 5.098 2.203 1.298 51 QZ TYR 4 QE TYR 4 5.993 3.367 3.243 52 QR TYR 4 QR TYR 4 5.546 2.785 2.271 53 H TYR 5 H TYR 5 5.890 -0.565 -2.601 54 HA TYR 5 HA TYR 5 3.449 -1.554 -3.747 55 1HB TYR 5 1HB TYR 5 6.402 -1.991 -4.497 56 2HB TYR 5 2HB TYR 5 5.043 -2.488 -5.382 57 HD1 TYR 5 1HD TYR 5 3.647 0.501 -4.771 58 HD2 TYR 5 2HD TYR 5 7.148 -1.179 -6.615 59 HE1 TYR 5 1HE TYR 5 3.757 2.439 -6.345 60 HE2 TYR 5 2HE TYR 5 7.240 0.698 -8.198 61 HH TYR 5 HH TYR 5 4.975 3.467 -8.055 62 QB TYR 5 QB TYR 5 5.722 -2.240 -4.940 63 QG TYR 5 QD TYR 5 5.398 -0.339 -5.693 64 QZ TYR 5 QE TYR 5 5.498 1.569 -7.271 65 QR TYR 5 QR TYR 5 5.448 0.615 -6.482 66 H GLN 6 H GLN 6 6.514 -2.926 -2.516 67 HA GLN 6 HA GLN 6 5.858 -5.624 -2.910 68 1HB GLN 6 1HB GLN 6 8.018 -4.061 -1.826 69 2HB GLN 6 2HB GLN 6 7.746 -5.437 -0.754 70 1HG GLN 6 1HG GLN 6 7.985 -6.996 -2.621 71 2HG GLN 6 2HG GLN 6 8.076 -5.658 -3.775 72 1HE2 GLN 6 2HE2 GLN 6 11.529 -6.930 -2.305 73 2HE2 GLN 6 1HE2 GLN 6 10.038 -7.872 -2.281 74 QB GLN 6 QB GLN 6 7.882 -4.749 -1.290 75 QG GLN 6 QG GLN 6 8.031 -6.327 -3.198 76 QE2 GLN 6 QE2 GLN 6 10.783 -7.401 -2.293 77 H THR 7 H THR 7 5.224 -3.515 -0.100 78 HA THR 7 HA THR 7 4.287 -5.495 1.692 79 HB THR 7 HB THR 7 3.383 -2.593 1.445 80 HG1 THR 7 1HG THR 7 5.325 -2.068 2.486 81 1HG2 THR 7 2HG2 THR 7 3.925 -4.382 3.868 82 2HG2 THR 7 3HG2 THR 7 3.481 -2.668 3.944 83 3HG2 THR 7 1HG2 THR 7 2.328 -3.854 3.304 84 QG2 THR 7 QG2 THR 7 3.245 -3.635 3.705 85 H LEU 8 H LEU 8 2.953 -4.197 -1.223 86 HA LEU 8 HA LEU 8 0.332 -5.463 -0.707 87 1HB LEU 8 1HB LEU 8 0.578 -2.870 -1.120 88 2HB LEU 8 2HB LEU 8 0.864 -3.329 -2.787 89 HG LEU 8 HG LEU 8 -1.393 -4.605 -2.656 90 1HD1 LEU 8 3HD1 LEU 8 -1.531 -4.646 -0.145 91 2HD1 LEU 8 1HD1 LEU 8 -1.687 -2.880 -0.159 92 3HD1 LEU 8 2HD1 LEU 8 -2.942 -3.897 -0.889 93 1HD2 LEU 8 3HD2 LEU 8 -1.186 -2.445 -3.803 94 2HD2 LEU 8 1HD2 LEU 8 -2.736 -2.620 -2.995 95 3HD2 LEU 8 2HD2 LEU 8 -1.491 -1.598 -2.261 96 QB LEU 8 QB LEU 8 0.721 -3.099 -1.954 97 QD1 LEU 8 QD1 LEU 8 -2.054 -3.807 -0.398 98 QD2 LEU 8 QD2 LEU 8 -1.804 -2.221 -3.020 99 QQD LEU 8 QQD LEU 8 -1.929 -3.014 -1.709 100 H GLY 9 H GLY 9 3.104 -6.426 -1.795 101 1HA GLY 9 1HA GLY 9 3.473 -8.431 -2.840 102 2HA GLY 9 2HA GLY 9 1.883 -8.344 -3.589 103 QA GLY 9 QA GLY 9 2.678 -8.388 -3.214 104 H LEU 10 H LEU 10 3.388 -5.435 -4.341 105 HA LEU 10 HA LEU 10 3.864 -6.475 -7.108 106 1HB LEU 10 1HB LEU 10 3.295 -3.671 -6.156 107 2HB LEU 10 2HB LEU 10 3.369 -4.222 -7.823 108 HG LEU 10 HG LEU 10 1.397 -5.855 -6.479 109 1HD1 LEU 10 3HD1 LEU 10 1.377 -4.031 -4.801 110 2HD1 LEU 10 1HD1 LEU 10 0.968 -2.862 -6.071 111 3HD1 LEU 10 2HD1 LEU 10 -0.160 -4.179 -5.661 112 1HD2 LEU 10 1HD2 LEU 10 1.134 -3.637 -8.539 113 2HD2 LEU 10 2HD2 LEU 10 1.348 -5.367 -8.850 114 3HD2 LEU 10 3HD2 LEU 10 -0.144 -4.788 -8.095 115 QB LEU 10 QB LEU 10 3.332 -3.947 -6.989 116 QD1 LEU 10 QD1 LEU 10 0.728 -3.691 -5.511 117 QD2 LEU 10 QD2 LEU 10 0.779 -4.597 -8.495 118 QQD LEU 10 QQD LEU 10 0.754 -4.144 -7.003 119 H ALA 11 H ALA 11 5.469 -5.041 -8.393 120 HA ALA 11 HA ALA 11 7.363 -3.407 -6.915 121 1HB ALA 11 1HB ALA 11 8.469 -5.623 -6.838 122 2HB ALA 11 2HB ALA 11 8.364 -5.699 -8.626 123 3HB ALA 11 3HB ALA 11 9.334 -4.433 -7.824 124 QB ALA 11 QB ALA 11 8.722 -5.252 -7.763 125 H ARG 12 H ARG 12 8.253 -1.890 -8.386 126 HA ARG 12 HA ARG 12 8.140 -0.502 -10.289 127 1HB ARG 12 1HB ARG 12 9.843 -1.357 -11.733 128 2HB ARG 12 2HB ARG 12 10.237 -1.764 -10.072 129 1HG ARG 12 1HG ARG 12 8.702 -3.952 -11.214 130 2HG ARG 12 2HG ARG 12 9.916 -3.491 -12.374 131 1HD ARG 12 1HD ARG 12 10.764 -3.861 -9.500 132 2HD ARG 12 2HD ARG 12 10.258 -5.289 -10.385 133 HE ARG 12 HE ARG 12 12.734 -3.865 -10.685 134 1HH1 ARG 12 2HH2 ARG 12 10.427 -5.815 -12.606 135 2HH1 ARG 12 1HH2 ARG 12 11.586 -6.293 -13.772 136 1HH2 ARG 12 2HH1 ARG 12 14.188 -4.294 -12.337 137 2HH2 ARG 12 1HH1 ARG 12 13.685 -5.118 -13.788 138 QB ARG 12 QB ARG 12 10.040 -1.561 -10.903 139 QG ARG 12 QG ARG 12 9.309 -3.721 -11.794 140 QD ARG 12 QD ARG 12 10.511 -4.575 -9.942 141 QH1 ARG 12 QH2 ARG 12 11.007 -6.054 -13.189 142 QH2 ARG 12 QH1 ARG 12 13.937 -4.706 -13.062 143 H GLY 13 H GLY 13 5.670 -1.216 -10.349 144 1HA GLY 13 1HA GLY 13 4.749 -1.266 -13.087 145 2HA GLY 13 2HA GLY 13 4.796 -2.909 -12.424 146 QA GLY 13 QA GLY 13 4.772 -2.088 -12.756 147 H ALA 14 H ALA 14 4.256 -1.865 -9.690 148 HA ALA 14 HA ALA 14 1.481 -1.573 -9.382 149 1HB ALA 14 3HB ALA 14 3.850 -0.459 -7.869 150 2HB ALA 14 1HB ALA 14 2.183 -0.362 -7.264 151 3HB ALA 14 2HB ALA 14 2.953 -1.936 -7.502 152 QB ALA 14 QB ALA 14 2.995 -0.919 -7.545 153 H SER 15 H SER 15 0.430 -0.335 -10.678 154 HA SER 15 HA SER 15 0.899 2.535 -10.996 155 1HB SER 15 1HB SER 15 0.042 2.043 -13.388 156 2HB SER 15 2HB SER 15 1.726 1.658 -13.028 157 HG SER 15 HG SER 15 1.234 -0.441 -12.839 158 QB SER 15 QB SER 15 0.884 1.850 -13.208 159 H ASP 16 H ASP 16 -1.219 3.590 -11.363 160 HA ASP 16 HA ASP 16 -2.584 3.163 -9.160 161 1HB ASP 16 1HB ASP 16 -2.671 5.077 -11.008 162 2HB ASP 16 2HB ASP 16 -4.256 4.360 -11.330 163 QB ASP 16 QB ASP 16 -3.464 4.718 -11.169 164 H GLU 17 H GLU 17 -3.671 1.599 -12.171 165 HA GLU 17 HA GLU 17 -6.202 0.709 -11.000 166 1HB GLU 17 1HB GLU 17 -5.899 1.085 -13.446 167 2HB GLU 17 2HB GLU 17 -4.743 -0.257 -13.490 168 1HG GLU 17 1HG GLU 17 -6.582 -1.771 -12.584 169 2HG GLU 17 2HG GLU 17 -7.681 -0.388 -12.666 170 QB GLU 17 QB GLU 17 -5.321 0.414 -13.468 171 QG GLU 17 QG GLU 17 -7.131 -1.079 -12.625 172 H GLU 18 H GLU 18 -2.894 -0.604 -11.207 173 HA GLU 18 HA GLU 18 -3.727 -3.338 -10.619 174 1HB GLU 18 1HB GLU 18 -1.442 -2.014 -11.799 175 2HB GLU 18 2HB GLU 18 -0.879 -2.724 -10.299 176 1HG GLU 18 1HG GLU 18 -2.145 -4.111 -12.669 177 2HG GLU 18 2HG GLU 18 -0.512 -4.314 -12.052 178 QB GLU 18 QB GLU 18 -1.161 -2.369 -11.049 179 QG GLU 18 QG GLU 18 -1.328 -4.213 -12.361 180 H ILE 19 H ILE 19 -2.315 -0.469 -9.210 181 HA ILE 19 HA ILE 19 -1.773 -1.331 -6.614 182 HB ILE 19 HB ILE 19 -2.289 1.291 -7.962 183 1HG1 ILE 19 1HG1 ILE 19 -0.057 0.221 -6.176 184 2HG1 ILE 19 2HG1 ILE 19 -0.100 0.063 -7.933 185 1HG2 ILE 19 3HG2 ILE 19 -2.296 0.946 -4.952 186 2HG2 ILE 19 1HG2 ILE 19 -1.972 2.498 -5.767 187 3HG2 ILE 19 2HG2 ILE 19 -3.522 1.727 -5.971 188 1HD1 ILE 19 1HD1 ILE 19 -0.053 2.539 -8.159 189 2HD1 ILE 19 2HD1 ILE 19 0.082 2.678 -6.392 190 3HD1 ILE 19 3HD1 ILE 19 1.365 1.890 -7.305 191 QG1 ILE 19 QG1 ILE 19 -0.078 0.142 -7.055 192 QG2 ILE 19 QG2 ILE 19 -2.596 1.723 -5.563 193 QD1 ILE 19 QD1 ILE 19 0.465 2.369 -7.285 194 H LYS 20 H LYS 20 -4.757 0.391 -7.809 195 HA LYS 20 HA LYS 20 -6.196 -0.081 -5.445 196 1HB LYS 20 1HB LYS 20 -6.732 1.573 -7.218 197 2HB LYS 20 2HB LYS 20 -7.341 0.254 -8.227 198 1HG LYS 20 1HG LYS 20 -9.032 -0.254 -6.375 199 2HG LYS 20 2HG LYS 20 -8.383 1.137 -5.487 200 1HD LYS 20 1HD LYS 20 -10.372 1.877 -6.622 201 2HD LYS 20 2HD LYS 20 -8.980 2.599 -7.439 202 1HE LYS 20 1HE LYS 20 -9.264 0.212 -8.827 203 2HE LYS 20 2HE LYS 20 -10.933 0.523 -8.378 204 1HZ LYS 20 3HZ LYS 20 -10.690 2.717 -9.422 205 2HZ LYS 20 1HZ LYS 20 -9.130 2.342 -9.845 206 3HZ LYS 20 2HZ LYS 20 -10.381 1.490 -10.495 207 QB LYS 20 QB LYS 20 -7.036 0.913 -7.723 208 QG LYS 20 QG LYS 20 -8.707 0.441 -5.931 209 QD LYS 20 QD LYS 20 -9.676 2.238 -7.031 210 QE LYS 20 QE LYS 20 -10.098 0.368 -8.602 211 QZ LYS 20 QZ LYS 20 -10.067 2.183 -9.920 212 H ARG 21 H ARG 21 -6.041 -2.107 -8.405 213 HA ARG 21 HA ARG 21 -8.033 -3.991 -7.730 214 1HB ARG 21 1HB ARG 21 -6.719 -3.838 -9.894 215 2HB ARG 21 2HB ARG 21 -5.357 -4.594 -9.098 216 1HG ARG 21 1HG ARG 21 -6.827 -6.567 -8.549 217 2HG ARG 21 2HG ARG 21 -8.139 -5.810 -9.455 218 1HD ARG 21 1HD ARG 21 -5.443 -6.590 -10.659 219 2HD ARG 21 2HD ARG 21 -6.856 -7.630 -10.644 220 HE ARG 21 HE ARG 21 -7.898 -6.441 -12.261 221 1HH1 ARG 21 2HH2 ARG 21 -4.713 -4.991 -11.617 222 2HH1 ARG 21 1HH2 ARG 21 -4.840 -3.827 -12.887 223 1HH2 ARG 21 2HH1 ARG 21 -7.940 -5.001 -14.101 224 2HH2 ARG 21 1HH1 ARG 21 -6.694 -3.833 -14.309 225 QB ARG 21 QB ARG 21 -6.038 -4.216 -9.496 226 QG ARG 21 QG ARG 21 -7.483 -6.189 -9.002 227 QD ARG 21 QD ARG 21 -6.149 -7.110 -10.652 228 QH1 ARG 21 QH2 ARG 21 -4.776 -4.409 -12.252 229 QH2 ARG 21 QH1 ARG 21 -7.317 -4.417 -14.205 230 H ALA 22 H ALA 22 -4.551 -4.071 -7.051 231 HA ALA 22 HA ALA 22 -4.591 -6.318 -5.322 232 1HB ALA 22 1HB ALA 22 -2.546 -5.357 -6.368 233 2HB ALA 22 2HB ALA 22 -2.649 -3.969 -5.276 234 3HB ALA 22 3HB ALA 22 -2.360 -5.595 -4.622 235 QB ALA 22 QB ALA 22 -2.519 -4.973 -5.422 236 H TYR 23 H TYR 23 -5.034 -2.748 -4.423 237 HA TYR 23 HA TYR 23 -4.739 -3.120 -1.685 238 1HB TYR 23 1HB TYR 23 -4.414 -0.990 -2.205 239 2HB TYR 23 2HB TYR 23 -5.222 -1.095 -3.723 240 HD1 TYR 23 1HD TYR 23 -7.914 -1.106 -3.621 241 HD2 TYR 23 2HD TYR 23 -5.118 0.883 -0.992 242 HE1 TYR 23 1HE TYR 23 -9.589 0.577 -3.175 243 HE2 TYR 23 2HE TYR 23 -6.809 2.634 -0.587 244 HH TYR 23 HH TYR 23 -8.893 3.570 -1.647 245 QB TYR 23 QB TYR 23 -4.818 -1.042 -2.964 246 QG TYR 23 QD TYR 23 -6.516 -0.112 -2.306 247 QZ TYR 23 QE TYR 23 -8.199 1.605 -1.881 248 QR TYR 23 QR TYR 23 -7.358 0.747 -2.094 249 H ARG 24 H ARG 24 -7.715 -3.023 -3.704 250 HA ARG 24 HA ARG 24 -9.341 -3.555 -1.357 251 1HB ARG 24 1HB ARG 24 -11.196 -3.439 -2.790 252 2HB ARG 24 2HB ARG 24 -10.099 -2.170 -3.269 253 1HG ARG 24 1HG ARG 24 -9.853 -2.971 -5.372 254 2HG ARG 24 2HG ARG 24 -9.581 -4.626 -4.837 255 1HD ARG 24 1HD ARG 24 -12.261 -3.248 -5.159 256 2HD ARG 24 2HD ARG 24 -11.568 -4.501 -6.208 257 HE ARG 24 HE ARG 24 -11.582 -5.608 -3.670 258 1HH1 ARG 24 2HH2 ARG 24 -14.097 -4.268 -5.800 259 2HH1 ARG 24 1HH2 ARG 24 -15.395 -5.157 -5.065 260 1HH2 ARG 24 2HH1 ARG 24 -13.295 -6.691 -2.635 261 2HH2 ARG 24 1HH1 ARG 24 -14.947 -6.343 -3.044 262 QB ARG 24 QB ARG 24 -10.647 -2.804 -3.030 263 QG ARG 24 QG ARG 24 -9.717 -3.798 -5.104 264 QD ARG 24 QD ARG 24 -11.915 -3.874 -5.683 265 QH1 ARG 24 QH2 ARG 24 -14.746 -4.713 -5.432 266 QH2 ARG 24 QH1 ARG 24 -14.121 -6.517 -2.840 267 H ARG 25 H ARG 25 -7.254 -5.572 -2.635 268 HA ARG 25 HA ARG 25 -8.886 -7.988 -2.082 269 1HB ARG 25 1HB ARG 25 -7.707 -7.280 -4.516 270 2HB ARG 25 2HB ARG 25 -6.468 -8.284 -3.798 271 1HG ARG 25 1HG ARG 25 -7.886 -9.523 -5.241 272 2HG ARG 25 2HG ARG 25 -8.150 -10.126 -3.606 273 1HD ARG 25 1HD ARG 25 -10.333 -9.101 -3.514 274 2HD ARG 25 2HD ARG 25 -9.942 -7.989 -4.831 275 HE ARG 25 HE ARG 25 -10.542 -9.509 -6.379 276 1HH1 ARG 25 2HH2 ARG 25 -10.258 -11.281 -3.299 277 2HH1 ARG 25 1HH2 ARG 25 -10.654 -12.817 -4.023 278 1HH2 ARG 25 2HH1 ARG 25 -11.099 -11.515 -7.268 279 2HH2 ARG 25 1HH1 ARG 25 -11.369 -12.905 -6.263 280 QB ARG 25 QB ARG 25 -7.087 -7.782 -4.157 281 QG ARG 25 QG ARG 25 -8.018 -9.824 -4.424 282 QD ARG 25 QD ARG 25 -10.138 -8.545 -4.173 283 QH1 ARG 25 QH2 ARG 25 -10.456 -12.049 -3.661 284 QH2 ARG 25 QH1 ARG 25 -11.234 -12.210 -6.765 285 H GLN 26 H GLN 26 -6.161 -6.026 -1.136 286 HA GLN 26 HA GLN 26 -5.148 -8.242 0.528 287 1HB GLN 26 1HB GLN 26 -3.911 -6.129 -1.010 288 2HB GLN 26 2HB GLN 26 -3.520 -5.854 0.624 289 1HG GLN 26 1HG GLN 26 -2.483 -8.021 0.875 290 2HG GLN 26 2HG GLN 26 -3.353 -8.684 -0.507 291 1HE2 GLN 26 2HE2 GLN 26 -1.126 -6.836 -2.838 292 2HE2 GLN 26 1HE2 GLN 26 -2.865 -6.818 -2.510 293 QB GLN 26 QB GLN 26 -3.716 -5.991 -0.193 294 QG GLN 26 QG GLN 26 -2.918 -8.353 0.184 295 QE2 GLN 26 QE2 GLN 26 -1.995 -6.827 -2.674 296 H ALA 27 H ALA 27 -6.432 -4.851 0.800 297 HA ALA 27 HA ALA 27 -6.338 -4.913 3.692 298 1HB ALA 27 2HB ALA 27 -8.006 -3.374 1.691 299 2HB ALA 27 3HB ALA 27 -8.333 -3.294 3.438 300 3HB ALA 27 1HB ALA 27 -6.757 -2.796 2.822 301 QB ALA 27 QB ALA 27 -7.698 -3.155 2.650 302 H LEU 28 H LEU 28 -9.061 -5.551 1.401 303 HA LEU 28 HA LEU 28 -10.801 -6.772 3.112 304 1HB LEU 28 1HB LEU 28 -11.016 -6.191 0.604 305 2HB LEU 28 2HB LEU 28 -10.284 -7.754 0.283 306 HG LEU 28 HG LEU 28 -12.249 -8.846 1.465 307 1HD1 LEU 28 1HD1 LEU 28 -13.365 -6.009 1.490 308 2HD1 LEU 28 2HD1 LEU 28 -14.272 -7.487 1.874 309 3HD1 LEU 28 3HD1 LEU 28 -12.960 -6.964 2.925 310 1HD2 LEU 28 2HD2 LEU 28 -12.178 -8.559 -0.983 311 2HD2 LEU 28 3HD2 LEU 28 -13.832 -8.420 -0.362 312 3HD2 LEU 28 1HD2 LEU 28 -12.921 -6.950 -0.801 313 QB LEU 28 QB LEU 28 -10.650 -6.972 0.443 314 QD1 LEU 28 QD1 LEU 28 -13.532 -6.820 2.096 315 QD2 LEU 28 QD2 LEU 28 -12.977 -7.976 -0.715 316 QQD LEU 28 QQD LEU 28 -13.255 -7.398 0.690 317 H ARG 29 H ARG 29 -7.694 -8.132 2.378 318 HA ARG 29 HA ARG 29 -8.456 -10.904 2.749 319 1HB ARG 29 1HB ARG 29 -6.480 -9.835 1.405 320 2HB ARG 29 2HB ARG 29 -5.649 -9.789 2.960 321 1HG ARG 29 1HG ARG 29 -5.906 -12.232 3.176 322 2HG ARG 29 2HG ARG 29 -6.859 -12.263 1.681 323 1HD ARG 29 1HD ARG 29 -3.949 -11.364 1.876 324 2HD ARG 29 2HD ARG 29 -4.471 -12.972 1.364 325 HE ARG 29 HE ARG 29 -5.797 -11.038 -0.242 326 1HH1 ARG 29 2HH2 ARG 29 -2.615 -12.572 0.083 327 2HH1 ARG 29 1HH2 ARG 29 -2.101 -12.135 -1.516 328 1HH2 ARG 29 2HH1 ARG 29 -5.101 -10.473 -2.347 329 2HH2 ARG 29 1HH1 ARG 29 -3.458 -10.722 -2.823 330 QB ARG 29 QB ARG 29 -6.065 -9.812 2.182 331 QG ARG 29 QG ARG 29 -6.382 -12.247 2.428 332 QD ARG 29 QD ARG 29 -4.210 -12.168 1.620 333 QH1 ARG 29 QH2 ARG 29 -2.358 -12.353 -0.717 334 QH2 ARG 29 QH1 ARG 29 -4.279 -10.598 -2.585 335 H TYR 30 H TYR 30 -7.456 -8.181 4.823 336 HA TYR 30 HA TYR 30 -7.456 -10.002 7.182 337 1HB TYR 30 1HB TYR 30 -5.394 -7.854 6.644 338 2HB TYR 30 2HB TYR 30 -5.425 -8.982 7.989 339 HD1 TYR 30 2HD TYR 30 -5.499 -11.609 7.220 340 HD2 TYR 30 1HD TYR 30 -3.975 -8.338 4.862 341 HE1 TYR 30 2HE TYR 30 -4.157 -13.190 5.888 342 HE2 TYR 30 1HE TYR 30 -2.587 -9.911 3.552 343 HH TYR 30 HH TYR 30 -1.818 -12.175 3.403 344 QB TYR 30 QB TYR 30 -5.409 -8.418 7.317 345 QG TYR 30 QD TYR 30 -4.737 -9.974 6.041 346 QZ TYR 30 QE TYR 30 -3.372 -11.551 4.720 347 QR TYR 30 QR TYR 30 -4.055 -10.762 5.381 348 H HIS 31 H HIS 31 -8.724 -7.150 5.881 349 HA HIS 31 HA HIS 31 -8.645 -5.225 7.775 350 1HB HIS 31 1HB HIS 31 -10.038 -5.671 5.408 351 2HB HIS 31 2HB HIS 31 -11.337 -5.730 6.536 352 HD1 HIS 31 1HD HIS 31 -8.723 -3.013 7.349 353 HD2 HIS 31 2HD HIS 31 -12.167 -3.601 4.991 354 HE1 HIS 31 1HE HIS 31 -9.621 -0.724 6.799 355 QB HIS 31 QB HIS 31 -10.687 -5.701 5.972 356 HA PRO 32 HA PRO 32 -11.242 -6.760 11.174 357 1HB PRO 32 1HB PRO 32 -11.692 -4.456 12.566 358 2HB PRO 32 2HB PRO 32 -10.112 -5.298 12.551 359 1HG PRO 32 1HG PRO 32 -10.980 -2.949 10.840 360 2HG PRO 32 2HG PRO 32 -9.468 -3.150 11.788 361 1HD PRO 32 1HD PRO 32 -9.624 -3.649 9.132 362 2HD PRO 32 2HD PRO 32 -8.549 -4.595 10.183 363 QB PRO 32 QB PRO 32 -10.902 -4.877 12.559 364 QG PRO 32 QG PRO 32 -10.224 -3.049 11.314 365 QD PRO 32 QD PRO 32 -9.086 -4.122 9.658 366 H ASP 33 H ASP 33 -12.203 -5.170 8.466 367 HA ASP 33 HA ASP 33 -15.047 -4.903 9.170 368 1HB ASP 33 1HB ASP 33 -15.093 -3.493 7.488 369 2HB ASP 33 2HB ASP 33 -13.390 -3.712 7.231 370 QB ASP 33 QB ASP 33 -14.241 -3.602 7.360 371 H LYS 34 H LYS 34 -13.393 -6.746 6.594 372 HA LYS 34 HA LYS 34 -15.410 -8.740 6.656 373 1HB LYS 34 1HB LYS 34 -14.388 -8.127 4.608 374 2HB LYS 34 2HB LYS 34 -12.767 -8.417 5.200 375 1HG LYS 34 1HG LYS 34 -14.745 -10.675 4.734 376 2HG LYS 34 2HG LYS 34 -13.689 -10.027 3.486 377 1HD LYS 34 1HD LYS 34 -11.686 -10.670 4.852 378 2HD LYS 34 2HD LYS 34 -12.768 -11.476 5.989 379 1HE LYS 34 1HE LYS 34 -13.647 -12.926 4.248 380 2HE LYS 34 2HE LYS 34 -12.578 -12.170 3.049 381 1HZ LYS 34 2HZ LYS 34 -11.552 -13.524 5.483 382 2HZ LYS 34 3HZ LYS 34 -11.687 -14.268 4.004 383 3HZ LYS 34 1HZ LYS 34 -10.692 -13.019 4.195 384 QB LYS 34 QB LYS 34 -13.577 -8.272 4.904 385 QG LYS 34 QG LYS 34 -14.217 -10.351 4.110 386 QD LYS 34 QD LYS 34 -12.227 -11.073 5.420 387 QE LYS 34 QE LYS 34 -13.112 -12.548 3.649 388 QZ LYS 34 QZ LYS 34 -11.311 -13.604 4.561 389 H ASN 35 H ASN 35 -12.111 -8.769 8.141 390 HA ASN 35 HA ASN 35 -12.383 -11.737 8.307 391 1HB ASN 35 1HB ASN 35 -10.404 -10.286 7.053 392 2HB ASN 35 2HB ASN 35 -9.703 -10.490 8.660 393 1HD2 ASN 35 2HD2 ASN 35 -8.403 -13.540 7.410 394 2HD2 ASN 35 1HD2 ASN 35 -8.042 -11.924 7.877 395 QB ASN 35 QB ASN 35 -10.053 -10.388 7.856 396 QD2 ASN 35 QD2 ASN 35 -8.222 -12.732 7.643 397 H LYS 36 H LYS 36 -11.255 -8.894 10.149 398 HA LYS 36 HA LYS 36 -10.795 -8.558 12.309 399 1HB LYS 36 1HB LYS 36 -13.010 -10.537 12.532 400 2HB LYS 36 2HB LYS 36 -12.410 -9.647 13.941 401 1HG LYS 36 1HG LYS 36 -13.112 -7.541 12.979 402 2HG LYS 36 2HG LYS 36 -13.557 -8.332 11.450 403 1HD LYS 36 1HD LYS 36 -15.305 -9.631 12.568 404 2HD LYS 36 2HD LYS 36 -14.824 -8.980 14.140 405 1HE LYS 36 1HE LYS 36 -16.879 -7.916 13.249 406 2HE LYS 36 2HE LYS 36 -15.571 -6.767 13.564 407 1HZ LYS 36 3HZ LYS 36 -16.102 -7.810 10.833 408 2HZ LYS 36 1HZ LYS 36 -16.719 -6.397 11.420 409 3HZ LYS 36 2HZ LYS 36 -15.118 -6.604 11.270 410 QB LYS 36 QB LYS 36 -12.710 -10.092 13.236 411 QG LYS 36 QG LYS 36 -13.334 -7.937 12.215 412 QD LYS 36 QD LYS 36 -15.065 -9.305 13.354 413 QE LYS 36 QE LYS 36 -16.225 -7.341 13.406 414 QZ LYS 36 QZ LYS 36 -15.980 -6.937 11.174 415 H GLU 37 H GLU 37 -9.172 -10.710 10.940 416 HA GLU 37 HA GLU 37 -9.285 -13.003 12.472 417 1HB GLU 37 1HB GLU 37 -8.732 -13.043 10.178 418 2HB GLU 37 2HB GLU 37 -7.299 -12.043 10.400 419 1HG GLU 37 1HG GLU 37 -6.443 -13.944 11.947 420 2HG GLU 37 2HG GLU 37 -7.836 -14.858 11.372 421 QB GLU 37 QB GLU 37 -8.016 -12.543 10.289 422 QG GLU 37 QG GLU 37 -7.140 -14.401 11.659 423 HA PRO 38 HA PRO 38 -6.461 -11.707 15.760 424 1HB PRO 38 1HB PRO 38 -5.996 -14.091 17.018 425 2HB PRO 38 2HB PRO 38 -7.531 -13.187 17.151 426 1HG PRO 38 1HG PRO 38 -6.903 -15.502 15.296 427 2HG PRO 38 2HG PRO 38 -8.334 -15.288 16.355 428 1HD PRO 38 1HD PRO 38 -8.393 -14.649 13.710 429 2HD PRO 38 2HD PRO 38 -9.267 -13.656 14.916 430 QB PRO 38 QB PRO 38 -6.764 -13.639 17.084 431 QG PRO 38 QG PRO 38 -7.618 -15.395 15.825 432 QD PRO 38 QD PRO 38 -8.830 -14.152 14.313 433 H GLY 39 H GLY 39 -4.278 -11.435 15.834 434 1HA GLY 39 1HA GLY 39 -2.043 -11.725 15.436 435 2HA GLY 39 2HA GLY 39 -2.350 -13.314 14.722 436 QA GLY 39 QA GLY 39 -2.197 -12.520 15.079 437 H ALA 40 H ALA 40 -4.424 -10.891 13.347 438 HA ALA 40 HA ALA 40 -2.522 -10.496 11.112 439 1HB ALA 40 3HB ALA 40 -4.120 -12.337 10.563 440 2HB ALA 40 1HB ALA 40 -5.436 -11.154 10.779 441 3HB ALA 40 2HB ALA 40 -4.250 -10.928 9.486 442 QB ALA 40 QB ALA 40 -4.602 -11.473 10.276 443 H GLU 41 H GLU 41 -4.419 -8.883 13.424 444 HA GLU 41 HA GLU 41 -5.274 -6.710 11.701 445 1HB GLU 41 1HB GLU 41 -6.304 -7.185 13.913 446 2HB GLU 41 2HB GLU 41 -4.783 -6.771 14.701 447 1HG GLU 41 1HG GLU 41 -6.345 -4.918 14.854 448 2HG GLU 41 2HG GLU 41 -4.945 -4.459 13.908 449 QB GLU 41 QB GLU 41 -5.544 -6.978 14.307 450 QG GLU 41 QG GLU 41 -5.645 -4.689 14.381 451 H GLU 42 H GLU 42 -2.308 -7.538 13.486 452 HA GLU 42 HA GLU 42 -0.956 -5.037 12.939 453 1HB GLU 42 1HB GLU 42 -0.447 -6.902 14.705 454 2HB GLU 42 2HB GLU 42 0.421 -7.673 13.391 455 1HG GLU 42 1HG GLU 42 2.003 -6.410 14.692 456 2HG GLU 42 2HG GLU 42 1.794 -5.536 13.173 457 QB GLU 42 QB GLU 42 -0.013 -7.288 14.048 458 QG GLU 42 QG GLU 42 1.899 -5.973 13.932 459 H LYS 43 H LYS 43 -1.425 -8.048 11.163 460 HA LYS 43 HA LYS 43 0.425 -7.611 9.118 461 1HB LYS 43 1HB LYS 43 -1.065 -9.694 9.769 462 2HB LYS 43 2HB LYS 43 -2.222 -8.993 8.639 463 1HG LYS 43 1HG LYS 43 -0.310 -8.946 6.932 464 2HG LYS 43 2HG LYS 43 0.576 -9.977 8.068 465 1HD LYS 43 1HD LYS 43 -2.149 -10.551 6.869 466 2HD LYS 43 2HD LYS 43 -0.654 -11.274 6.285 467 1HE LYS 43 1HE LYS 43 -1.692 -11.641 9.128 468 2HE LYS 43 2HE LYS 43 -2.144 -12.714 7.799 469 1HZ LYS 43 2HZ LYS 43 0.691 -12.246 8.408 470 2HZ LYS 43 3HZ LYS 43 -0.214 -13.384 9.221 471 3HZ LYS 43 1HZ LYS 43 0.007 -13.471 7.586 472 QB LYS 43 QB LYS 43 -1.643 -9.344 9.204 473 QG LYS 43 QG LYS 43 0.133 -9.462 7.500 474 QD LYS 43 QD LYS 43 -1.401 -10.913 6.577 475 QE LYS 43 QE LYS 43 -1.918 -12.177 8.463 476 QZ LYS 43 QZ LYS 43 0.161 -13.034 8.405 477 H PHE 44 H PHE 44 -3.043 -6.974 9.475 478 HA PHE 44 HA PHE 44 -3.499 -5.528 7.105 479 1HB PHE 44 1HB PHE 44 -5.347 -6.276 8.523 480 2HB PHE 44 2HB PHE 44 -4.856 -5.212 9.816 481 HD1 PHE 44 1HD PHE 44 -5.570 -4.938 6.114 482 HD2 PHE 44 2HD PHE 44 -5.943 -3.149 10.028 483 HE1 PHE 44 1HE PHE 44 -6.452 -2.855 5.095 484 HE2 PHE 44 2HE PHE 44 -6.851 -1.081 8.981 485 1HZ PHE 44 HZ PHE 44 -7.045 -0.928 6.507 486 QB PHE 44 QB PHE 44 -5.101 -5.744 9.169 487 QG PHE 44 QD PHE 44 -5.756 -4.044 8.071 488 QZ PHE 44 QE PHE 44 -6.652 -1.968 7.038 489 QZ PHE 44 QR PHE 44 -6.372 -2.590 7.345 490 H LYS 45 H LYS 45 -2.550 -4.258 10.299 491 HA LYS 45 HA LYS 45 -2.350 -1.507 9.662 492 1HB LYS 45 1HB LYS 45 -0.667 -3.237 11.489 493 2HB LYS 45 2HB LYS 45 -0.438 -1.498 11.402 494 1HG LYS 45 1HG LYS 45 -2.409 -0.975 12.454 495 2HG LYS 45 2HG LYS 45 -3.232 -2.454 11.939 496 1HD LYS 45 1HD LYS 45 -2.552 -3.643 13.741 497 2HD LYS 45 2HD LYS 45 -0.907 -3.001 13.651 498 1HE LYS 45 1HE LYS 45 -1.566 -0.984 14.795 499 2HE LYS 45 2HE LYS 45 -3.229 -1.588 14.975 500 1HZ LYS 45 1HZ LYS 45 -0.912 -3.160 15.893 501 2HZ LYS 45 2HZ LYS 45 -1.552 -2.005 16.860 502 3HZ LYS 45 3HZ LYS 45 -2.470 -3.303 16.358 503 QB LYS 45 QB LYS 45 -0.553 -2.368 11.445 504 QG LYS 45 QG LYS 45 -2.821 -1.715 12.197 505 QD LYS 45 QD LYS 45 -1.729 -3.322 13.696 506 QE LYS 45 QE LYS 45 -2.398 -1.286 14.885 507 QZ LYS 45 QZ LYS 45 -1.644 -2.823 16.370 508 H GLU 46 H GLU 46 -0.043 -4.110 8.919 509 HA GLU 46 HA GLU 46 2.076 -2.381 8.096 510 1HB GLU 46 1HB GLU 46 1.656 -5.087 8.584 511 2HB GLU 46 2HB GLU 46 2.083 -5.072 6.883 512 1HG GLU 46 1HG GLU 46 3.748 -3.544 8.930 513 2HG GLU 46 2HG GLU 46 3.841 -5.292 8.851 514 QB GLU 46 QB GLU 46 1.869 -5.080 7.734 515 QG GLU 46 QG GLU 46 3.795 -4.418 8.891 516 H ILE 47 H ILE 47 -0.508 -4.188 6.366 517 HA ILE 47 HA ILE 47 0.031 -3.170 3.741 518 HB ILE 47 HB ILE 47 -2.633 -3.993 4.965 519 1HG1 ILE 47 1HG1 ILE 47 -0.548 -5.510 3.336 520 2HG1 ILE 47 2HG1 ILE 47 -1.017 -5.824 5.009 521 1HG2 ILE 47 3HG2 ILE 47 -2.905 -2.556 2.914 522 2HG2 ILE 47 1HG2 ILE 47 -1.873 -3.698 2.030 523 3HG2 ILE 47 2HG2 ILE 47 -3.467 -4.188 2.657 524 1HD1 ILE 47 2HD1 ILE 47 -3.381 -6.273 4.136 525 2HD1 ILE 47 3HD1 ILE 47 -2.656 -6.282 2.519 526 3HD1 ILE 47 1HD1 ILE 47 -2.117 -7.467 3.702 527 QG1 ILE 47 QG1 ILE 47 -0.782 -5.667 4.172 528 QG2 ILE 47 QG2 ILE 47 -2.748 -3.481 2.534 529 QD1 ILE 47 QD1 ILE 47 -2.718 -6.674 3.452 530 H ALA 48 H ALA 48 -1.863 -1.863 6.504 531 HA ALA 48 HA ALA 48 -3.262 0.083 5.076 532 1HB ALA 48 2HB ALA 48 -3.829 -0.817 7.327 533 2HB ALA 48 3HB ALA 48 -2.513 0.165 8.017 534 3HB ALA 48 1HB ALA 48 -3.896 0.941 7.229 535 QB ALA 48 QB ALA 48 -3.413 0.097 7.525 536 H GLU 49 H GLU 49 -0.021 0.211 6.506 537 HA GLU 49 HA GLU 49 0.343 3.084 6.225 538 1HB GLU 49 1HB GLU 49 1.781 1.551 7.666 539 2HB GLU 49 2HB GLU 49 2.531 0.968 6.172 540 1HG GLU 49 1HG GLU 49 3.104 3.402 5.625 541 2HG GLU 49 2HG GLU 49 2.527 3.841 7.231 542 QB GLU 49 QB GLU 49 2.156 1.260 6.919 543 QG GLU 49 QG GLU 49 2.815 3.621 6.428 544 H ALA 50 H ALA 50 0.908 0.255 4.134 545 HA ALA 50 HA ALA 50 2.085 1.797 1.953 546 1HB ALA 50 2HB ALA 50 2.509 -0.687 2.354 547 2HB ALA 50 3HB ALA 50 0.824 -1.002 1.931 548 3HB ALA 50 1HB ALA 50 1.904 -0.323 0.722 549 QB ALA 50 QB ALA 50 1.746 -0.671 1.669 550 H TYR 51 H TYR 51 -1.078 0.779 2.949 551 HA TYR 51 HA TYR 51 -2.569 1.147 0.578 552 1HB TYR 51 1HB TYR 51 -3.017 0.021 2.922 553 2HB TYR 51 2HB TYR 51 -3.610 1.598 3.399 554 HD1 TYR 51 1HD TYR 51 -4.019 -1.309 1.161 555 HD2 TYR 51 2HD TYR 51 -5.809 2.293 2.740 556 HE1 TYR 51 1HE TYR 51 -6.262 -2.117 0.491 557 HE2 TYR 51 2HE TYR 51 -8.014 1.511 2.042 558 HH TYR 51 HH TYR 51 -9.215 -0.250 1.302 559 QB TYR 51 QB TYR 51 -3.313 0.809 3.160 560 QG TYR 51 QD TYR 51 -4.914 0.492 1.950 561 QZ TYR 51 QE TYR 51 -7.138 -0.303 1.266 562 QR TYR 51 QR TYR 51 -6.026 0.095 1.608 563 H ASP 52 H ASP 52 -1.983 3.268 3.389 564 HA ASP 52 HA ASP 52 -3.273 5.649 2.630 565 1HB ASP 52 1HB ASP 52 -2.293 5.284 4.817 566 2HB ASP 52 2HB ASP 52 -0.696 5.082 4.139 567 QB ASP 52 QB ASP 52 -1.494 5.183 4.478 568 H VAL 53 H VAL 53 0.009 4.519 1.920 569 HA VAL 53 HA VAL 53 0.734 6.751 0.277 570 HB VAL 53 HB VAL 53 1.883 3.933 0.186 571 1HG1 VAL 53 3HG1 VAL 53 2.970 6.634 -0.705 572 2HG1 VAL 53 1HG1 VAL 53 3.905 5.122 -0.667 573 3HG1 VAL 53 2HG1 VAL 53 2.508 5.283 -1.759 574 1HG2 VAL 53 1HG2 VAL 53 1.988 5.300 2.458 575 2HG2 VAL 53 2HG2 VAL 53 3.414 4.476 1.831 576 3HG2 VAL 53 3HG2 VAL 53 3.244 6.214 1.615 577 QG1 VAL 53 QG1 VAL 53 3.128 5.680 -1.044 578 QG2 VAL 53 QG2 VAL 53 2.882 5.330 1.968 579 QQG VAL 53 QQG VAL 53 3.005 5.505 0.462 580 H LEU 54 H LEU 54 -0.293 3.437 -0.698 581 HA LEU 54 HA LEU 54 -0.394 4.179 -3.514 582 1HB LEU 54 1HB LEU 54 -0.656 1.568 -1.962 583 2HB LEU 54 2HB LEU 54 -0.607 1.714 -3.703 584 HG LEU 54 HG LEU 54 1.680 2.776 -2.011 585 1HD1 LEU 54 1HD1 LEU 54 1.422 0.008 -3.234 586 2HD1 LEU 54 2HD1 LEU 54 2.882 0.743 -2.531 587 3HD1 LEU 54 3HD1 LEU 54 1.482 0.409 -1.502 588 1HD2 LEU 54 3HD2 LEU 54 1.517 3.543 -4.404 589 2HD2 LEU 54 1HD2 LEU 54 2.951 2.556 -4.061 590 3HD2 LEU 54 2HD2 LEU 54 1.573 1.837 -4.893 591 QB LEU 54 QB LEU 54 -0.631 1.641 -2.833 592 QD1 LEU 54 QD1 LEU 54 1.929 0.387 -2.422 593 QD2 LEU 54 QD2 LEU 54 2.014 2.645 -4.452 594 QQD LEU 54 QQD LEU 54 1.971 1.516 -3.437 595 H SER 55 H SER 55 -2.207 5.570 -2.255 596 HA SER 55 HA SER 55 -4.466 4.811 -3.874 597 1HB SER 55 1HB SER 55 -6.203 5.046 -2.145 598 2HB SER 55 2HB SER 55 -5.161 3.646 -1.866 599 HG SER 55 HG SER 55 -4.171 4.657 -0.215 600 QB SER 55 QB SER 55 -5.682 4.346 -2.006 601 H ASP 56 H ASP 56 -2.475 7.161 -2.249 602 HA ASP 56 HA ASP 56 -4.143 9.330 -3.351 603 1HB ASP 56 1HB ASP 56 -4.260 9.426 -0.951 604 2HB ASP 56 2HB ASP 56 -2.514 9.243 -0.800 605 QB ASP 56 QB ASP 56 -3.387 9.335 -0.875 606 HA PRO 57 HA PRO 57 -0.261 9.348 -5.714 607 1HB PRO 57 1HB PRO 57 -0.729 11.800 -7.058 608 2HB PRO 57 2HB PRO 57 -1.231 10.197 -7.629 609 1HG PRO 57 1HG PRO 57 -2.854 12.257 -6.164 610 2HG PRO 57 2HG PRO 57 -3.363 11.181 -7.500 611 1HD PRO 57 1HD PRO 57 -4.014 10.686 -4.919 612 2HD PRO 57 2HD PRO 57 -3.617 9.339 -6.029 613 QB PRO 57 QB PRO 57 -0.980 10.998 -7.344 614 QG PRO 57 QG PRO 57 -3.109 11.719 -6.832 615 QD PRO 57 QD PRO 57 -3.816 10.012 -5.474 616 H ARG 58 H ARG 58 -1.574 12.116 -3.861 617 HA ARG 58 HA ARG 58 0.835 13.682 -3.867 618 1HB ARG 58 1HB ARG 58 -1.645 13.622 -2.115 619 2HB ARG 58 2HB ARG 58 -0.282 14.647 -1.724 620 1HG ARG 58 1HG ARG 58 -1.960 15.901 -2.910 621 2HG ARG 58 2HG ARG 58 -0.457 15.855 -3.814 622 1HD ARG 58 1HD ARG 58 -1.378 14.423 -5.494 623 2HD ARG 58 2HD ARG 58 -2.684 13.892 -4.434 624 HE ARG 58 HE ARG 58 -3.973 15.613 -5.110 625 1HH1 ARG 58 2HH2 ARG 58 -0.656 16.513 -6.014 626 2HH1 ARG 58 1HH2 ARG 58 -1.048 18.180 -6.309 627 1HH2 ARG 58 2HH1 ARG 58 -4.555 17.573 -5.843 628 2HH2 ARG 58 1HH1 ARG 58 -3.440 18.793 -6.365 629 QB ARG 58 QB ARG 58 -0.964 14.135 -1.919 630 QG ARG 58 QG ARG 58 -1.209 15.878 -3.362 631 QD ARG 58 QD ARG 58 -2.031 14.157 -4.964 632 QH1 ARG 58 QH2 ARG 58 -0.852 17.346 -6.161 633 QH2 ARG 58 QH1 ARG 58 -3.997 18.183 -6.104 634 H LYS 59 H LYS 59 -0.153 10.858 -1.903 635 HA LYS 59 HA LYS 59 1.765 11.391 0.167 636 1HB LYS 59 1HB LYS 59 -0.526 10.011 0.100 637 2HB LYS 59 2HB LYS 59 0.462 8.681 -0.404 638 1HG LYS 59 1HG LYS 59 0.880 10.400 2.061 639 2HG LYS 59 2HG LYS 59 -0.129 8.961 2.088 640 1HD LYS 59 1HD LYS 59 1.616 7.577 2.229 641 2HD LYS 59 2HD LYS 59 2.604 8.474 1.055 642 1HE LYS 59 1HE LYS 59 3.813 8.859 2.969 643 2HE LYS 59 2HE LYS 59 2.747 10.270 2.932 644 1HZ LYS 59 2HZ LYS 59 1.231 8.823 4.394 645 2HZ LYS 59 3HZ LYS 59 2.539 7.886 4.672 646 3HZ LYS 59 1HZ LYS 59 2.587 9.482 5.077 647 QB LYS 59 QB LYS 59 -0.032 9.346 -0.152 648 QG LYS 59 QG LYS 59 0.375 9.681 2.074 649 QD LYS 59 QD LYS 59 2.110 8.025 1.642 650 QE LYS 59 QE LYS 59 3.280 9.564 2.950 651 QZ LYS 59 QZ LYS 59 2.119 8.730 4.714 652 H ARG 60 H ARG 60 1.630 8.674 -2.376 653 HA ARG 60 HA ARG 60 4.307 8.189 -2.051 654 1HB ARG 60 1HB ARG 60 2.335 6.972 -3.436 655 2HB ARG 60 2HB ARG 60 3.068 7.872 -4.790 656 1HG ARG 60 1HG ARG 60 5.284 6.965 -4.208 657 2HG ARG 60 2HG ARG 60 4.577 6.301 -2.714 658 1HD ARG 60 1HD ARG 60 3.638 4.513 -3.749 659 2HD ARG 60 2HD ARG 60 3.475 5.345 -5.303 660 HE ARG 60 HE ARG 60 5.697 5.064 -5.804 661 1HH1 ARG 60 2HH2 ARG 60 5.230 3.272 -2.743 662 2HH1 ARG 60 1HH2 ARG 60 6.648 2.276 -2.996 663 1HH2 ARG 60 2HH1 ARG 60 7.425 3.639 -6.153 664 2HH2 ARG 60 1HH1 ARG 60 7.796 2.391 -5.031 665 QB ARG 60 QB ARG 60 2.702 7.422 -4.113 666 QG ARG 60 QG ARG 60 4.931 6.633 -3.461 667 QD ARG 60 QD ARG 60 3.557 4.929 -4.526 668 QH1 ARG 60 QH2 ARG 60 5.939 2.774 -2.869 669 QH2 ARG 60 QH1 ARG 60 7.611 3.015 -5.592 670 H GLU 61 H GLU 61 2.926 11.042 -3.627 671 HA GLU 61 HA GLU 61 4.497 11.343 -5.699 672 1HB GLU 61 1HB GLU 61 2.682 12.944 -4.690 673 2HB GLU 61 2HB GLU 61 3.995 13.692 -3.821 674 1HG GLU 61 1HG GLU 61 3.660 14.977 -5.760 675 2HG GLU 61 2HG GLU 61 5.101 14.031 -6.130 676 QB GLU 61 QB GLU 61 3.338 13.318 -4.256 677 QG GLU 61 QG GLU 61 4.381 14.504 -5.945 678 H ILE 62 H ILE 62 5.465 12.264 -2.405 679 HA ILE 62 HA ILE 62 8.013 13.338 -3.389 680 HB ILE 62 HB ILE 62 7.332 12.660 -0.501 681 1HG1 ILE 62 1HG1 ILE 62 6.825 15.205 -2.122 682 2HG1 ILE 62 2HG1 ILE 62 5.611 14.172 -1.358 683 1HG2 ILE 62 3HG2 ILE 62 9.759 13.051 -1.047 684 2HG2 ILE 62 1HG2 ILE 62 9.332 14.648 -1.692 685 3HG2 ILE 62 2HG2 ILE 62 9.115 14.268 0.028 686 1HD1 ILE 62 2HD1 ILE 62 6.597 14.753 0.882 687 2HD1 ILE 62 3HD1 ILE 62 7.629 15.945 0.056 688 3HD1 ILE 62 1HD1 ILE 62 5.878 16.122 -0.008 689 QG1 ILE 62 QG1 ILE 62 6.218 14.688 -1.740 690 QG2 ILE 62 QG2 ILE 62 9.402 13.989 -0.904 691 QD1 ILE 62 QD1 ILE 62 6.701 15.607 0.310 692 H PHE 63 H PHE 63 6.974 10.254 -1.967 693 HA PHE 63 HA PHE 63 9.558 9.027 -1.680 694 1HB PHE 63 1HB PHE 63 7.498 8.164 -0.611 695 2HB PHE 63 2HB PHE 63 6.796 7.834 -2.177 696 HD1 PHE 63 2HD PHE 63 8.149 6.160 -3.769 697 HD2 PHE 63 1HD PHE 63 8.569 6.376 0.536 698 HE1 PHE 63 2HE PHE 63 9.082 3.882 -3.725 699 HE2 PHE 63 1HE PHE 63 9.337 4.019 0.549 700 1HZ PHE 63 HZ PHE 63 9.529 2.753 -1.613 701 QB PHE 63 QB PHE 63 7.147 7.999 -1.394 702 QG PHE 63 QD PHE 63 8.359 6.268 -1.616 703 QZ PHE 63 QE PHE 63 9.210 3.950 -1.588 704 QZ PHE 63 QR PHE 63 8.933 4.638 -1.604 705 H ASP 64 H ASP 64 7.215 9.285 -4.371 706 HA ASP 64 HA ASP 64 8.523 7.369 -6.032 707 1HB ASP 64 1HB ASP 64 6.004 8.422 -5.958 708 2HB ASP 64 2HB ASP 64 6.671 9.373 -7.275 709 QB ASP 64 QB ASP 64 6.338 8.898 -6.617 710 H ARG 65 H ARG 65 8.498 11.013 -5.960 711 HA ARG 65 HA ARG 65 10.012 11.289 -8.296 712 1HB ARG 65 1HB ARG 65 10.024 13.470 -7.904 713 2HB ARG 65 2HB ARG 65 8.553 13.002 -7.098 714 1HG ARG 65 1HG ARG 65 9.608 13.334 -4.925 715 2HG ARG 65 2HG ARG 65 11.165 13.658 -5.697 716 1HD ARG 65 1HD ARG 65 10.284 15.755 -5.099 717 2HD ARG 65 2HD ARG 65 10.231 15.629 -6.847 718 HE ARG 65 HE ARG 65 7.833 15.257 -6.762 719 1HH1 ARG 65 2HH2 ARG 65 9.328 16.946 -3.995 720 2HH1 ARG 65 1HH2 ARG 65 7.852 17.410 -3.268 721 1HH2 ARG 65 2HH1 ARG 65 5.907 16.340 -6.047 722 2HH2 ARG 65 1HH1 ARG 65 5.939 17.264 -4.583 723 QB ARG 65 QB ARG 65 9.289 13.236 -7.501 724 QG ARG 65 QG ARG 65 10.387 13.496 -5.311 725 QD ARG 65 QD ARG 65 10.257 15.692 -5.973 726 QH1 ARG 65 QH2 ARG 65 8.590 17.178 -3.631 727 QH2 ARG 65 QH1 ARG 65 5.923 16.802 -5.315 728 H TYR 66 H TYR 66 11.028 11.226 -4.903 729 HA TYR 66 HA TYR 66 13.848 11.502 -5.660 730 1HB TYR 66 1HB TYR 66 12.425 11.113 -3.007 731 2HB TYR 66 2HB TYR 66 14.172 11.121 -3.163 732 HD1 TYR 66 1HD TYR 66 15.285 13.085 -4.414 733 HD2 TYR 66 2HD TYR 66 11.325 13.274 -2.714 734 HE1 TYR 66 1HE TYR 66 15.442 15.525 -4.361 735 HE2 TYR 66 2HE TYR 66 11.494 15.737 -2.590 736 HH TYR 66 HH TYR 66 14.365 17.564 -3.760 737 QB TYR 66 QB TYR 66 13.298 11.117 -3.085 738 QG TYR 66 QD TYR 66 13.305 13.180 -3.564 739 QZ TYR 66 QE TYR 66 13.468 15.631 -3.476 740 QR TYR 66 QR TYR 66 13.386 14.405 -3.520 741 H GLY 67 H GLY 67 11.747 8.808 -4.591 742 1HA GLY 67 1HA GLY 67 12.117 6.536 -4.807 743 2HA GLY 67 2HA GLY 67 13.794 6.824 -5.294 744 QA GLY 67 QA GLY 67 12.956 6.680 -5.051 745 H GLU 68 H GLU 68 11.590 6.723 -2.616 746 HA GLU 68 HA GLU 68 11.748 6.249 -0.413 747 1HB GLU 68 1HB GLU 68 12.888 4.310 -0.757 748 2HB GLU 68 2HB GLU 68 14.369 5.073 -1.312 749 1HG GLU 68 1HG GLU 68 15.098 5.621 0.852 750 2HG GLU 68 2HG GLU 68 13.482 5.477 1.542 751 QB GLU 68 QB GLU 68 13.629 4.692 -1.034 752 QG GLU 68 QG GLU 68 14.290 5.549 1.197 753 H GLU 69 H GLU 69 14.890 7.770 -1.223 754 HA GLU 69 HA GLU 69 15.100 9.124 1.365 755 1HB GLU 69 1HB GLU 69 16.713 8.964 -1.209 756 2HB GLU 69 2HB GLU 69 17.115 10.173 0.014 757 1HG GLU 69 1HG GLU 69 17.071 7.192 0.501 758 2HG GLU 69 2HG GLU 69 18.493 8.157 0.153 759 QB GLU 69 QB GLU 69 16.914 9.568 -0.597 760 QG GLU 69 QG GLU 69 17.782 7.674 0.327 761 H GLY 70 H GLY 70 12.864 10.032 0.844 762 1HA GLY 70 1HA GLY 70 13.053 12.834 -0.066 763 2HA GLY 70 2HA GLY 70 12.016 11.780 -1.027 764 QA GLY 70 QA GLY 70 12.535 12.307 -0.547 765 H LEU 71 H LEU 71 10.888 10.095 0.833 766 HA LEU 71 HA LEU 71 8.770 11.770 1.727 767 1HB LEU 71 1HB LEU 71 8.777 9.273 1.056 768 2HB LEU 71 2HB LEU 71 9.299 8.928 2.687 769 HG LEU 71 HG LEU 71 6.915 8.570 2.327 770 1HD1 LEU 71 3HD1 LEU 71 7.697 9.302 4.605 771 2HD1 LEU 71 1HD1 LEU 71 7.125 10.938 4.209 772 3HD1 LEU 71 2HD1 LEU 71 5.987 9.593 4.258 773 1HD2 LEU 71 1HD2 LEU 71 6.550 10.311 0.587 774 2HD2 LEU 71 2HD2 LEU 71 5.323 10.328 1.858 775 3HD2 LEU 71 3HD2 LEU 71 6.585 11.558 1.856 776 QB LEU 71 QB LEU 71 9.038 9.101 1.871 777 QD1 LEU 71 QD1 LEU 71 6.936 9.944 4.357 778 QD2 LEU 71 QD2 LEU 71 6.153 10.732 1.434 779 QQD LEU 71 QQD LEU 71 6.544 10.338 2.896 780 H LYS 72 H LYS 72 11.465 10.234 3.502 781 HA LYS 72 HA LYS 72 10.823 11.378 6.072 782 1HB LYS 72 1HB LYS 72 12.259 9.282 5.447 783 2HB LYS 72 2HB LYS 72 13.528 10.433 5.091 784 1HG LYS 72 1HG LYS 72 12.686 11.173 7.695 785 2HG LYS 72 2HG LYS 72 12.460 9.432 7.671 786 1HD LYS 72 1HD LYS 72 14.671 9.832 8.480 787 2HD LYS 72 2HD LYS 72 14.833 9.189 6.845 788 1HE LYS 72 1HE LYS 72 14.918 11.714 6.115 789 2HE LYS 72 2HE LYS 72 15.186 12.057 7.829 790 1HZ LYS 72 3HZ LYS 72 17.102 10.480 7.636 791 2HZ LYS 72 1HZ LYS 72 16.885 10.471 6.007 792 3HZ LYS 72 2HZ LYS 72 17.263 11.880 6.768 793 QB LYS 72 QB LYS 72 12.893 9.858 5.269 794 QG LYS 72 QG LYS 72 12.573 10.303 7.683 795 QD LYS 72 QD LYS 72 14.752 9.511 7.662 796 QE LYS 72 QE LYS 72 15.052 11.886 6.972 797 QZ LYS 72 QZ LYS 72 17.083 10.944 6.804 798 H GLY 73 H GLY 73 11.469 13.200 3.396 799 1HA GLY 73 1HA GLY 73 12.469 15.249 3.105 800 2HA GLY 73 2HA GLY 73 13.289 15.137 4.685 801 QA GLY 73 QA GLY 73 12.879 15.193 3.895 802 H SER 74 H SER 74 15.467 15.213 3.903 803 HA SER 74 HA SER 74 17.404 14.571 3.063 804 1HB SER 74 1HB SER 74 17.996 12.279 2.686 805 2HB SER 74 2HB SER 74 17.041 12.458 4.160 806 HG SER 74 HG SER 74 15.243 11.982 2.449 807 QB SER 74 QB SER 74 17.519 12.368 3.423 808 H GLY 75 H GLY 75 14.989 15.356 1.234 809 1HA GLY 75 1HA GLY 75 15.720 14.525 -1.423 810 2HA GLY 75 2HA GLY 75 14.692 15.870 -0.937 811 QA GLY 75 QA GLY 75 15.206 15.197 -1.180 812 H CYS 76 H CYS 76 16.105 16.445 -2.967 813 HA CYS 76 HA CYS 76 18.092 18.427 -2.106 814 1HB CYS 76 1HB CYS 76 18.234 16.718 -4.642 815 2HB CYS 76 2HB CYS 76 19.209 18.160 -4.312 816 HG CYS 76 HG CYS 76 20.307 17.303 -2.117 817 QB CYS 76 QB CYS 76 18.722 17.439 -4.477 No H/Q in entry = 817 Start of MODEL 14 1 H MET 0 H MET 0 17.637 -3.088 5.540 2 HA MET 0 HA MET 0 15.214 -3.571 5.784 3 1HB MET 0 1HB MET 0 14.998 -0.563 5.366 4 2HB MET 0 2HB MET 0 13.676 -1.700 5.140 5 1HG MET 0 1HG MET 0 15.169 -1.210 7.730 6 2HG MET 0 2HG MET 0 13.516 -0.733 7.349 7 1HE MET 0 3HE MET 0 14.527 -2.320 9.940 8 2HE MET 0 1HE MET 0 12.827 -1.850 9.712 9 3HE MET 0 2HE MET 0 13.240 -3.526 10.143 10 QB MET 0 QB MET 0 14.337 -1.131 5.253 11 QG MET 0 QG MET 0 14.343 -0.972 7.539 12 QE MET 0 QE MET 0 13.531 -2.565 9.932 13 H GLY 1 H GLY 1 14.404 -4.474 4.016 14 1HA GLY 1 1HA GLY 1 14.606 -3.049 1.439 15 2HA GLY 1 2HA GLY 1 15.031 -4.763 1.512 16 QA GLY 1 QA GLY 1 14.818 -3.906 1.475 17 H LYS 2 H LYS 2 12.623 -3.923 3.830 18 HA LYS 2 HA LYS 2 10.342 -4.898 2.279 19 1HB LYS 2 1HB LYS 2 9.113 -4.405 4.295 20 2HB LYS 2 2HB LYS 2 10.516 -5.374 4.669 21 1HG LYS 2 1HG LYS 2 10.736 -3.891 6.399 22 2HG LYS 2 2HG LYS 2 11.612 -2.964 5.205 23 1HD LYS 2 1HD LYS 2 10.130 -1.467 6.295 24 2HD LYS 2 2HD LYS 2 9.435 -1.761 4.696 25 1HE LYS 2 1HE LYS 2 7.857 -3.411 5.679 26 2HE LYS 2 2HE LYS 2 8.543 -3.106 7.287 27 1HZ LYS 2 3HZ LYS 2 7.279 -1.033 5.601 28 2HZ LYS 2 1HZ LYS 2 6.509 -1.849 6.817 29 3HZ LYS 2 2HZ LYS 2 7.792 -0.853 7.143 30 QB LYS 2 QB LYS 2 9.814 -4.890 4.482 31 QG LYS 2 QG LYS 2 11.174 -3.427 5.802 32 QD LYS 2 QD LYS 2 9.783 -1.614 5.495 33 QE LYS 2 QE LYS 2 8.200 -3.258 6.483 34 QZ LYS 2 QZ LYS 2 7.193 -1.245 6.520 35 H ASP 3 H ASP 3 8.616 -3.384 1.625 36 HA ASP 3 HA ASP 3 9.172 -0.539 1.731 37 1HB ASP 3 1HB ASP 3 10.569 -1.168 -0.186 38 2HB ASP 3 2HB ASP 3 9.229 -2.092 -0.895 39 QB ASP 3 QB ASP 3 9.899 -1.630 -0.540 40 H TYR 4 H TYR 4 7.309 0.594 0.792 41 HA TYR 4 HA TYR 4 4.901 -0.529 1.877 42 1HB TYR 4 1HB TYR 4 5.549 1.999 0.324 43 2HB TYR 4 2HB TYR 4 3.977 1.650 1.013 44 HD1 TYR 4 1HD TYR 4 3.761 1.252 3.534 45 HD2 TYR 4 2HD TYR 4 7.402 2.720 1.767 46 HE1 TYR 4 1HE TYR 4 4.475 2.123 5.727 47 HE2 TYR 4 2HE TYR 4 8.105 3.631 3.942 48 HH TYR 4 HH TYR 4 7.471 3.916 6.325 49 QB TYR 4 QB TYR 4 4.763 1.825 0.668 50 QG TYR 4 QD TYR 4 5.581 1.986 2.651 51 QZ TYR 4 QE TYR 4 6.290 2.877 4.835 52 QR TYR 4 QR TYR 4 5.936 2.432 3.743 53 H TYR 5 H TYR 5 6.227 -0.450 -1.471 54 HA TYR 5 HA TYR 5 3.823 -0.996 -2.884 55 1HB TYR 5 1HB TYR 5 6.733 -1.846 -3.191 56 2HB TYR 5 2HB TYR 5 5.469 -2.375 -4.266 57 HD1 TYR 5 1HD TYR 5 4.976 1.119 -3.243 58 HD2 TYR 5 2HD TYR 5 7.139 -1.469 -5.929 59 HE1 TYR 5 1HE TYR 5 5.335 3.009 -4.778 60 HE2 TYR 5 2HE TYR 5 7.431 0.421 -7.517 61 HH TYR 5 HH TYR 5 6.586 3.726 -6.697 62 QB TYR 5 QB TYR 5 6.101 -2.110 -3.729 63 QG TYR 5 QD TYR 5 6.057 -0.175 -4.586 64 QZ TYR 5 QE TYR 5 6.383 1.715 -6.147 65 QR TYR 5 QR TYR 5 6.220 0.770 -5.366 66 H GLN 6 H GLN 6 6.117 -3.098 -1.073 67 HA GLN 6 HA GLN 6 4.516 -5.373 -1.963 68 1HB GLN 6 1HB GLN 6 7.103 -5.051 -2.052 69 2HB GLN 6 2HB GLN 6 7.101 -5.585 -0.378 70 1HG GLN 6 1HG GLN 6 6.516 -7.757 -0.927 71 2HG GLN 6 2HG GLN 6 5.492 -7.281 -2.273 72 1HE2 GLN 6 2HE2 GLN 6 8.076 -7.284 -4.733 73 2HE2 GLN 6 1HE2 GLN 6 6.619 -6.402 -4.259 74 QB GLN 6 QB GLN 6 7.102 -5.318 -1.215 75 QG GLN 6 QG GLN 6 6.004 -7.519 -1.600 76 QE2 GLN 6 QE2 GLN 6 7.347 -6.843 -4.496 77 H THR 7 H THR 7 5.053 -3.616 1.038 78 HA THR 7 HA THR 7 3.712 -5.468 2.750 79 HB THR 7 HB THR 7 3.452 -2.429 2.712 80 HG1 THR 7 1HG THR 7 5.183 -2.426 4.045 81 1HG2 THR 7 3HG2 THR 7 3.122 -4.438 4.998 82 2HG2 THR 7 1HG2 THR 7 3.105 -2.671 5.170 83 3HG2 THR 7 2HG2 THR 7 1.828 -3.467 4.264 84 QG2 THR 7 QG2 THR 7 2.685 -3.525 4.811 85 H LEU 8 H LEU 8 2.539 -3.644 0.031 86 HA LEU 8 HA LEU 8 -0.235 -4.437 0.680 87 1HB LEU 8 1HB LEU 8 0.517 -2.037 -0.044 88 2HB LEU 8 2HB LEU 8 0.499 -2.717 -1.665 89 HG LEU 8 HG LEU 8 -1.925 -3.406 -0.116 90 1HD1 LEU 8 3HD1 LEU 8 -1.583 -1.289 1.005 91 2HD1 LEU 8 1HD1 LEU 8 -1.489 -0.452 -0.558 92 3HD1 LEU 8 2HD1 LEU 8 -2.998 -1.247 -0.067 93 1HD2 LEU 8 1HD2 LEU 8 -1.672 -3.476 -2.658 94 2HD2 LEU 8 2HD2 LEU 8 -3.134 -2.712 -2.035 95 3HD2 LEU 8 3HD2 LEU 8 -1.810 -1.712 -2.645 96 QB LEU 8 QB LEU 8 0.508 -2.377 -0.854 97 QD1 LEU 8 QD1 LEU 8 -2.023 -0.996 0.126 98 QD2 LEU 8 QD2 LEU 8 -2.205 -2.633 -2.446 99 QQD LEU 8 QQD LEU 8 -2.114 -1.815 -1.160 100 H GLY 9 H GLY 9 2.249 -6.049 -0.604 101 1HA GLY 9 1HA GLY 9 2.326 -7.989 -1.784 102 2HA GLY 9 2HA GLY 9 0.573 -7.902 -1.984 103 QA GLY 9 QA GLY 9 1.449 -7.946 -1.884 104 H LEU 10 H LEU 10 3.102 -5.579 -3.152 105 HA LEU 10 HA LEU 10 2.526 -6.269 -5.972 106 1HB LEU 10 1HB LEU 10 2.476 -3.485 -4.765 107 2HB LEU 10 2HB LEU 10 2.204 -3.864 -6.450 108 HG LEU 10 HG LEU 10 0.296 -4.849 -4.296 109 1HD1 LEU 10 1HD1 LEU 10 0.451 -2.209 -5.739 110 2HD1 LEU 10 2HD1 LEU 10 -0.984 -2.783 -4.852 111 3HD1 LEU 10 3HD1 LEU 10 0.541 -2.534 -3.997 112 1HD2 LEU 10 3HD2 LEU 10 0.334 -5.697 -6.805 113 2HD2 LEU 10 1HD2 LEU 10 -1.187 -5.304 -6.017 114 3HD2 LEU 10 2HD2 LEU 10 -0.461 -4.149 -7.135 115 QB LEU 10 QB LEU 10 2.340 -3.675 -5.607 116 QD1 LEU 10 QD1 LEU 10 0.003 -2.509 -4.863 117 QD2 LEU 10 QD2 LEU 10 -0.438 -5.050 -6.652 118 QQD LEU 10 QQD LEU 10 -0.218 -3.779 -5.757 119 H ALA 11 H ALA 11 4.004 -4.752 -7.334 120 HA ALA 11 HA ALA 11 5.615 -2.844 -6.607 121 1HB ALA 11 3HB ALA 11 7.390 -5.306 -6.428 122 2HB ALA 11 1HB ALA 11 7.945 -3.620 -6.459 123 3HB ALA 11 2HB ALA 11 7.025 -4.161 -5.091 124 QB ALA 11 QB ALA 11 7.453 -4.362 -5.993 125 H ARG 12 H ARG 12 6.787 -1.927 -8.222 126 HA ARG 12 HA ARG 12 7.188 -1.378 -10.384 127 1HB ARG 12 1HB ARG 12 9.190 -2.483 -11.278 128 2HB ARG 12 2HB ARG 12 9.343 -1.891 -9.639 129 1HG ARG 12 1HG ARG 12 8.548 -4.759 -9.812 130 2HG ARG 12 2HG ARG 12 10.113 -4.383 -10.525 131 1HD ARG 12 1HD ARG 12 9.421 -3.307 -7.793 132 2HD ARG 12 2HD ARG 12 9.975 -4.975 -7.964 133 HE ARG 12 HE ARG 12 11.998 -4.087 -9.066 134 1HH1 ARG 12 2HH2 ARG 12 10.298 -1.865 -6.858 135 2HH1 ARG 12 1HH2 ARG 12 11.620 -0.800 -6.697 136 1HH2 ARG 12 2HH1 ARG 12 13.819 -2.939 -8.524 137 2HH2 ARG 12 1HH1 ARG 12 13.724 -1.470 -7.613 138 QB ARG 12 QB ARG 12 9.267 -2.187 -10.458 139 QG ARG 12 QG ARG 12 9.330 -4.571 -10.168 140 QD ARG 12 QD ARG 12 9.698 -4.141 -7.878 141 QH1 ARG 12 QH2 ARG 12 10.959 -1.332 -6.778 142 QH2 ARG 12 QH1 ARG 12 13.772 -2.205 -8.069 143 H GLY 13 H GLY 13 4.922 -2.262 -10.621 144 1HA GLY 13 1HA GLY 13 4.428 -3.106 -13.217 145 2HA GLY 13 2HA GLY 13 4.555 -4.621 -12.309 146 QA GLY 13 QA GLY 13 4.492 -3.864 -12.763 147 H ALA 14 H ALA 14 3.425 -2.415 -10.093 148 HA ALA 14 HA ALA 14 0.569 -2.807 -10.790 149 1HB ALA 14 2HB ALA 14 1.257 -3.646 -8.585 150 2HB ALA 14 3HB ALA 14 1.842 -2.027 -8.133 151 3HB ALA 14 1HB ALA 14 0.119 -2.296 -8.464 152 QB ALA 14 QB ALA 14 1.073 -2.656 -8.394 153 H SER 15 H SER 15 0.281 -1.214 -12.275 154 HA SER 15 HA SER 15 1.055 1.575 -11.932 155 1HB SER 15 1HB SER 15 -0.742 1.895 -13.668 156 2HB SER 15 2HB SER 15 0.517 0.754 -14.161 157 HG SER 15 HG SER 15 -0.840 -0.937 -13.778 158 QB SER 15 QB SER 15 -0.113 1.324 -13.914 159 H ASP 16 H ASP 16 -0.880 3.229 -11.812 160 HA ASP 16 HA ASP 16 -1.752 2.994 -9.181 161 1HB ASP 16 1HB ASP 16 -2.866 5.059 -9.445 162 2HB ASP 16 2HB ASP 16 -1.365 5.125 -10.347 163 QB ASP 16 QB ASP 16 -2.115 5.092 -9.896 164 H GLU 17 H GLU 17 -3.294 1.911 -12.115 165 HA GLU 17 HA GLU 17 -5.956 1.475 -10.920 166 1HB GLU 17 1HB GLU 17 -4.765 1.776 -13.582 167 2HB GLU 17 2HB GLU 17 -5.604 0.253 -13.516 168 1HG GLU 17 1HG GLU 17 -6.855 2.912 -12.680 169 2HG GLU 17 2HG GLU 17 -6.914 2.258 -14.317 170 QB GLU 17 QB GLU 17 -5.184 1.014 -13.549 171 QG GLU 17 QG GLU 17 -6.884 2.585 -13.499 172 H GLU 18 H GLU 18 -2.997 -0.242 -10.949 173 HA GLU 18 HA GLU 18 -4.407 -2.801 -10.432 174 1HB GLU 18 1HB GLU 18 -1.838 -2.062 -11.512 175 2HB GLU 18 2HB GLU 18 -1.552 -2.764 -9.946 176 1HG GLU 18 1HG GLU 18 -3.107 -4.057 -12.214 177 2HG GLU 18 2HG GLU 18 -1.464 -4.453 -11.721 178 QB GLU 18 QB GLU 18 -1.695 -2.413 -10.729 179 QG GLU 18 QG GLU 18 -2.285 -4.255 -11.967 180 H ILE 19 H ILE 19 -2.586 -0.072 -9.029 181 HA ILE 19 HA ILE 19 -2.293 -1.112 -6.393 182 HB ILE 19 HB ILE 19 -2.061 1.567 -7.729 183 1HG1 ILE 19 1HG1 ILE 19 -0.188 -0.113 -6.006 184 2HG1 ILE 19 2HG1 ILE 19 -0.317 -0.251 -7.761 185 1HG2 ILE 19 1HG2 ILE 19 -2.035 1.184 -4.725 186 2HG2 ILE 19 2HG2 ILE 19 -1.406 2.624 -5.573 187 3HG2 ILE 19 3HG2 ILE 19 -3.109 2.251 -5.645 188 1HD1 ILE 19 2HD1 ILE 19 0.372 2.071 -8.018 189 2HD1 ILE 19 3HD1 ILE 19 0.659 2.192 -6.261 190 3HD1 ILE 19 1HD1 ILE 19 1.610 1.061 -7.233 191 QG1 ILE 19 QG1 ILE 19 -0.252 -0.182 -6.883 192 QG2 ILE 19 QG2 ILE 19 -2.183 2.020 -5.314 193 QD1 ILE 19 QD1 ILE 19 0.880 1.775 -7.171 194 H LYS 20 H LYS 20 -4.684 1.424 -7.568 195 HA LYS 20 HA LYS 20 -6.251 1.205 -5.266 196 1HB LYS 20 1HB LYS 20 -6.194 3.014 -6.948 197 2HB LYS 20 2HB LYS 20 -7.054 1.986 -8.099 198 1HG LYS 20 1HG LYS 20 -9.047 2.005 -6.724 199 2HG LYS 20 2HG LYS 20 -8.148 2.617 -5.334 200 1HD LYS 20 1HD LYS 20 -9.531 4.358 -6.350 201 2HD LYS 20 2HD LYS 20 -7.821 4.773 -6.323 202 1HE LYS 20 1HE LYS 20 -8.884 5.456 -8.426 203 2HE LYS 20 2HE LYS 20 -7.592 4.281 -8.709 204 1HZ LYS 20 3HZ LYS 20 -10.466 3.595 -8.582 205 2HZ LYS 20 1HZ LYS 20 -9.622 3.822 -9.985 206 3HZ LYS 20 2HZ LYS 20 -9.261 2.576 -8.979 207 QB LYS 20 QB LYS 20 -6.624 2.500 -7.524 208 QG LYS 20 QG LYS 20 -8.598 2.311 -6.029 209 QD LYS 20 QD LYS 20 -8.676 4.565 -6.337 210 QE LYS 20 QE LYS 20 -8.238 4.868 -8.567 211 QZ LYS 20 QZ LYS 20 -9.783 3.331 -9.182 212 H ARG 21 H ARG 21 -6.093 -0.963 -8.012 213 HA ARG 21 HA ARG 21 -8.461 -2.504 -7.443 214 1HB ARG 21 1HB ARG 21 -6.348 -2.524 -9.310 215 2HB ARG 21 2HB ARG 21 -6.081 -3.992 -8.432 216 1HG ARG 21 1HG ARG 21 -7.375 -4.519 -10.292 217 2HG ARG 21 2HG ARG 21 -8.484 -4.646 -8.924 218 1HD ARG 21 1HD ARG 21 -9.675 -2.724 -9.556 219 2HD ARG 21 2HD ARG 21 -8.302 -1.997 -10.391 220 HE ARG 21 HE ARG 21 -10.090 -4.130 -11.407 221 1HH1 ARG 21 2HH2 ARG 21 -7.208 -2.066 -12.069 222 2HH1 ARG 21 1HH2 ARG 21 -7.143 -2.594 -13.720 223 1HH2 ARG 21 2HH1 ARG 21 -9.928 -4.713 -13.609 224 2HH2 ARG 21 1HH1 ARG 21 -8.627 -4.068 -14.567 225 QB ARG 21 QB ARG 21 -6.214 -3.258 -8.871 226 QG ARG 21 QG ARG 21 -7.929 -4.582 -9.608 227 QD ARG 21 QD ARG 21 -8.988 -2.361 -9.973 228 QH1 ARG 21 QH2 ARG 21 -7.175 -2.330 -12.895 229 QH2 ARG 21 QH1 ARG 21 -9.278 -4.391 -14.088 230 H ALA 22 H ALA 22 -5.018 -2.965 -6.576 231 HA ALA 22 HA ALA 22 -5.250 -5.113 -4.817 232 1HB ALA 22 1HB ALA 22 -3.207 -4.347 -5.930 233 2HB ALA 22 2HB ALA 22 -3.178 -2.920 -4.870 234 3HB ALA 22 3HB ALA 22 -3.010 -4.550 -4.180 235 QB ALA 22 QB ALA 22 -3.132 -3.939 -4.993 236 H TYR 23 H TYR 23 -5.182 -1.531 -3.984 237 HA TYR 23 HA TYR 23 -5.323 -1.879 -1.229 238 1HB TYR 23 1HB TYR 23 -4.642 0.155 -1.642 239 2HB TYR 23 2HB TYR 23 -5.190 0.162 -3.277 240 HD1 TYR 23 1HD TYR 23 -7.807 0.447 -3.595 241 HD2 TYR 23 2HD TYR 23 -5.385 1.985 -0.401 242 HE1 TYR 23 1HE TYR 23 -9.376 2.329 -3.366 243 HE2 TYR 23 2HE TYR 23 -6.989 3.826 -0.085 244 HH TYR 23 HH TYR 23 -9.199 4.483 -0.605 245 QB TYR 23 QB TYR 23 -4.916 0.158 -2.459 246 QG TYR 23 QD TYR 23 -6.596 1.216 -1.998 247 QZ TYR 23 QE TYR 23 -8.183 3.077 -1.725 248 QR TYR 23 QR TYR 23 -7.389 2.147 -1.862 249 H ARG 24 H ARG 24 -7.947 -1.797 -3.688 250 HA ARG 24 HA ARG 24 -10.030 -1.860 -1.665 251 1HB ARG 24 1HB ARG 24 -9.933 -2.395 -4.658 252 2HB ARG 24 2HB ARG 24 -11.380 -2.761 -3.737 253 1HG ARG 24 1HG ARG 24 -10.082 -0.003 -3.782 254 2HG ARG 24 2HG ARG 24 -11.391 -0.505 -4.845 255 1HD ARG 24 1HD ARG 24 -12.741 -1.078 -2.749 256 2HD ARG 24 2HD ARG 24 -11.474 -0.311 -1.802 257 HE ARG 24 HE ARG 24 -11.989 1.814 -2.723 258 1HH1 ARG 24 2HH2 ARG 24 -14.349 -0.568 -3.873 259 2HH1 ARG 24 1HH2 ARG 24 -15.726 0.436 -3.585 260 1HH2 ARG 24 2HH1 ARG 24 -13.603 3.237 -2.788 261 2HH2 ARG 24 1HH1 ARG 24 -15.259 2.797 -3.141 262 QB ARG 24 QB ARG 24 -10.656 -2.578 -4.198 263 QG ARG 24 QG ARG 24 -10.737 -0.254 -4.313 264 QD ARG 24 QD ARG 24 -12.108 -0.694 -2.275 265 QH1 ARG 24 QH2 ARG 24 -15.038 -0.066 -3.729 266 QH2 ARG 24 QH1 ARG 24 -14.431 3.017 -2.964 267 H ARG 25 H ARG 25 -8.044 -4.461 -3.077 268 HA ARG 25 HA ARG 25 -9.807 -6.399 -1.668 269 1HB ARG 25 1HB ARG 25 -8.284 -8.154 -2.321 270 2HB ARG 25 2HB ARG 25 -8.949 -7.272 -3.699 271 1HG ARG 25 1HG ARG 25 -6.877 -6.136 -4.070 272 2HG ARG 25 2HG ARG 25 -6.163 -6.775 -2.571 273 1HD ARG 25 1HD ARG 25 -5.254 -7.930 -4.501 274 2HD ARG 25 2HD ARG 25 -6.186 -9.024 -3.473 275 HE ARG 25 HE ARG 25 -7.987 -9.009 -4.974 276 1HH1 ARG 25 2HH2 ARG 25 -4.954 -7.654 -6.505 277 2HH1 ARG 25 1HH2 ARG 25 -5.570 -7.868 -8.067 278 1HH2 ARG 25 2HH1 ARG 25 -8.791 -8.993 -7.070 279 2HH2 ARG 25 1HH1 ARG 25 -7.744 -8.753 -8.433 280 QB ARG 25 QB ARG 25 -8.616 -7.713 -3.010 281 QG ARG 25 QG ARG 25 -6.520 -6.455 -3.321 282 QD ARG 25 QD ARG 25 -5.720 -8.477 -3.987 283 QH1 ARG 25 QH2 ARG 25 -5.262 -7.761 -7.286 284 QH2 ARG 25 QH1 ARG 25 -8.267 -8.873 -7.752 285 H GLN 26 H GLN 26 -6.626 -4.756 -1.144 286 HA GLN 26 HA GLN 26 -5.748 -6.619 0.728 287 1HB GLN 26 1HB GLN 26 -4.969 -3.869 -0.215 288 2HB GLN 26 2HB GLN 26 -4.185 -4.478 1.243 289 1HG GLN 26 1HG GLN 26 -4.365 -6.074 -1.349 290 2HG GLN 26 2HG GLN 26 -3.042 -4.996 -1.016 291 1HE2 GLN 26 2HE2 GLN 26 -1.536 -7.107 1.526 292 2HE2 GLN 26 1HE2 GLN 26 -1.775 -5.444 1.126 293 QB GLN 26 QB GLN 26 -4.577 -4.174 0.514 294 QG GLN 26 QG GLN 26 -3.703 -5.535 -1.183 295 QE2 GLN 26 QE2 GLN 26 -1.655 -6.275 1.326 296 H ALA 27 H ALA 27 -7.567 -3.586 1.252 297 HA ALA 27 HA ALA 27 -7.446 -3.671 4.119 298 1HB ALA 27 1HB ALA 27 -9.549 -2.581 2.194 299 2HB ALA 27 2HB ALA 27 -9.667 -2.439 3.961 300 3HB ALA 27 3HB ALA 27 -8.306 -1.692 3.127 301 QB ALA 27 QB ALA 27 -9.174 -2.238 3.094 302 H LEU 28 H LEU 28 -9.809 -5.085 1.796 303 HA LEU 28 HA LEU 28 -11.467 -6.349 3.706 304 1HB LEU 28 1HB LEU 28 -11.949 -5.849 1.268 305 2HB LEU 28 2HB LEU 28 -10.874 -7.174 0.834 306 HG LEU 28 HG LEU 28 -12.383 -8.759 2.094 307 1HD1 LEU 28 1HD1 LEU 28 -14.083 -6.230 2.297 308 2HD1 LEU 28 2HD1 LEU 28 -14.741 -7.862 2.464 309 3HD1 LEU 28 3HD1 LEU 28 -13.538 -7.272 3.629 310 1HD2 LEU 28 2HD2 LEU 28 -12.501 -8.445 -0.366 311 2HD2 LEU 28 3HD2 LEU 28 -14.087 -8.795 0.327 312 3HD2 LEU 28 1HD2 LEU 28 -13.676 -7.129 -0.141 313 QB LEU 28 QB LEU 28 -11.411 -6.512 1.051 314 QD1 LEU 28 QD1 LEU 28 -14.121 -7.121 2.797 315 QD2 LEU 28 QD2 LEU 28 -13.422 -8.123 -0.060 316 QQD LEU 28 QQD LEU 28 -13.771 -7.622 1.368 317 H ARG 29 H ARG 29 -8.659 -7.545 1.904 318 HA ARG 29 HA ARG 29 -8.858 -10.236 2.443 319 1HB ARG 29 1HB ARG 29 -7.524 -9.103 0.669 320 2HB ARG 29 2HB ARG 29 -6.321 -8.626 1.882 321 1HG ARG 29 1HG ARG 29 -5.489 -10.794 2.058 322 2HG ARG 29 2HG ARG 29 -7.068 -11.495 1.769 323 1HD ARG 29 1HD ARG 29 -5.726 -12.090 -0.095 324 2HD ARG 29 2HD ARG 29 -6.916 -10.917 -0.645 325 HE ARG 29 HE ARG 29 -4.560 -9.492 0.057 326 1HH1 ARG 29 2HH2 ARG 29 -5.546 -11.910 -2.378 327 2HH1 ARG 29 1HH2 ARG 29 -4.358 -11.397 -3.531 328 1HH2 ARG 29 2HH1 ARG 29 -3.126 -8.777 -1.469 329 2HH2 ARG 29 1HH1 ARG 29 -2.949 -9.479 -3.032 330 QB ARG 29 QB ARG 29 -6.922 -8.865 1.276 331 QG ARG 29 QG ARG 29 -6.279 -11.144 1.913 332 QD ARG 29 QD ARG 29 -6.321 -11.504 -0.370 333 QH1 ARG 29 QH2 ARG 29 -4.952 -11.653 -2.954 334 QH2 ARG 29 QH1 ARG 29 -3.038 -9.128 -2.250 335 H TYR 30 H TYR 30 -7.342 -7.740 4.454 336 HA TYR 30 HA TYR 30 -6.880 -9.846 6.524 337 1HB TYR 30 1HB TYR 30 -5.093 -7.439 5.943 338 2HB TYR 30 2HB TYR 30 -4.814 -8.690 7.145 339 HD1 TYR 30 2HD TYR 30 -4.776 -11.207 6.171 340 HD2 TYR 30 1HD TYR 30 -4.013 -7.654 3.847 341 HE1 TYR 30 2HE TYR 30 -3.510 -12.547 4.501 342 HE2 TYR 30 1HE TYR 30 -2.704 -8.985 2.236 343 HH TYR 30 HH TYR 30 -1.528 -11.158 2.052 344 QB TYR 30 QB TYR 30 -4.953 -8.065 6.544 345 QG TYR 30 QD TYR 30 -4.395 -9.430 5.009 346 QZ TYR 30 QE TYR 30 -3.107 -10.766 3.368 347 QR TYR 30 QR TYR 30 -3.751 -10.098 4.189 348 H HIS 31 H HIS 31 -9.006 -7.571 5.870 349 HA HIS 31 HA HIS 31 -9.183 -5.745 7.968 350 1HB HIS 31 1HB HIS 31 -10.861 -6.716 5.925 351 2HB HIS 31 2HB HIS 31 -11.690 -7.224 7.372 352 HD1 HIS 31 1HD HIS 31 -12.590 -5.212 9.060 353 HD2 HIS 31 2HD HIS 31 -11.306 -4.298 5.152 354 HE1 HIS 31 1HE HIS 31 -13.519 -3.041 8.588 355 QB HIS 31 QB HIS 31 -11.275 -6.970 6.649 356 HA PRO 32 HA PRO 32 -8.708 -8.746 11.153 357 1HB PRO 32 1HB PRO 32 -9.453 -7.333 13.424 358 2HB PRO 32 2HB PRO 32 -7.894 -7.183 12.569 359 1HG PRO 32 1HG PRO 32 -10.335 -5.435 12.307 360 2HG PRO 32 2HG PRO 32 -8.625 -4.918 12.436 361 1HD PRO 32 1HD PRO 32 -9.920 -5.035 10.058 362 2HD PRO 32 2HD PRO 32 -8.187 -5.496 10.197 363 QB PRO 32 QB PRO 32 -8.674 -7.258 12.996 364 QG PRO 32 QG PRO 32 -9.480 -5.176 12.372 365 QD PRO 32 QD PRO 32 -9.053 -5.265 10.127 366 H ASP 33 H ASP 33 -11.788 -7.038 10.880 367 HA ASP 33 HA ASP 33 -13.272 -9.031 12.340 368 1HB ASP 33 1HB ASP 33 -15.259 -7.744 11.653 369 2HB ASP 33 2HB ASP 33 -13.992 -6.685 12.274 370 QB ASP 33 QB ASP 33 -14.625 -7.215 11.963 371 H LYS 34 H LYS 34 -12.063 -9.039 9.081 372 HA LYS 34 HA LYS 34 -14.535 -10.296 8.034 373 1HB LYS 34 1HB LYS 34 -13.545 -8.596 6.612 374 2HB LYS 34 2HB LYS 34 -11.968 -9.339 6.728 375 1HG LYS 34 1HG LYS 34 -12.933 -9.766 4.533 376 2HG LYS 34 2HG LYS 34 -12.612 -11.249 5.406 377 1HD LYS 34 1HD LYS 34 -14.692 -11.658 4.513 378 2HD LYS 34 2HD LYS 34 -15.143 -11.175 6.114 379 1HE LYS 34 1HE LYS 34 -15.154 -9.405 3.631 380 2HE LYS 34 2HE LYS 34 -16.551 -10.229 4.306 381 1HZ LYS 34 1HZ LYS 34 -16.358 -8.852 6.299 382 2HZ LYS 34 2HZ LYS 34 -15.096 -8.033 5.682 383 3HZ LYS 34 3HZ LYS 34 -16.518 -7.927 4.942 384 QB LYS 34 QB LYS 34 -12.757 -8.967 6.670 385 QG LYS 34 QG LYS 34 -12.772 -10.508 4.969 386 QD LYS 34 QD LYS 34 -14.917 -11.416 5.313 387 QE LYS 34 QE LYS 34 -15.852 -9.817 3.968 388 QZ LYS 34 QZ LYS 34 -15.991 -8.270 5.641 389 H ASN 35 H ASN 35 -11.102 -11.010 7.819 390 HA ASN 35 HA ASN 35 -11.440 -13.816 7.026 391 1HB ASN 35 1HB ASN 35 -8.770 -13.605 7.257 392 2HB ASN 35 2HB ASN 35 -9.570 -12.759 5.935 393 1HD2 ASN 35 2HD2 ASN 35 -9.221 -9.573 7.378 394 2HD2 ASN 35 1HD2 ASN 35 -9.687 -10.485 5.936 395 QB ASN 35 QB ASN 35 -9.170 -13.182 6.596 396 QD2 ASN 35 QD2 ASN 35 -9.454 -10.029 6.657 397 H LYS 36 H LYS 36 -10.657 -11.873 9.860 398 HA LYS 36 HA LYS 36 -10.085 -12.222 11.904 399 1HB LYS 36 1HB LYS 36 -11.913 -14.535 11.512 400 2HB LYS 36 2HB LYS 36 -11.229 -14.175 13.107 401 1HG LYS 36 1HG LYS 36 -12.202 -11.869 12.958 402 2HG LYS 36 2HG LYS 36 -12.993 -12.331 11.434 403 1HD LYS 36 1HD LYS 36 -14.203 -14.151 12.656 404 2HD LYS 36 2HD LYS 36 -13.389 -13.674 14.146 405 1HE LYS 36 1HE LYS 36 -15.599 -12.767 14.213 406 2HE LYS 36 2HE LYS 36 -14.470 -11.422 14.020 407 1HZ LYS 36 2HZ LYS 36 -15.895 -12.622 11.706 408 2HZ LYS 36 3HZ LYS 36 -16.469 -11.311 12.564 409 3HZ LYS 36 1HZ LYS 36 -15.086 -11.226 11.754 410 QB LYS 36 QB LYS 36 -11.571 -14.355 12.310 411 QG LYS 36 QG LYS 36 -12.597 -12.100 12.196 412 QD LYS 36 QD LYS 36 -13.796 -13.913 13.401 413 QE LYS 36 QE LYS 36 -15.035 -12.094 14.117 414 QZ LYS 36 QZ LYS 36 -15.817 -11.720 12.008 415 H GLU 37 H GLU 37 -8.163 -13.237 9.843 416 HA GLU 37 HA GLU 37 -7.038 -15.667 10.810 417 1HB GLU 37 1HB GLU 37 -7.008 -14.938 8.515 418 2HB GLU 37 2HB GLU 37 -6.133 -13.472 8.904 419 1HG GLU 37 1HG GLU 37 -4.966 -16.180 9.618 420 2HG GLU 37 2HG GLU 37 -4.995 -15.617 7.967 421 QB GLU 37 QB GLU 37 -6.570 -14.205 8.710 422 QG GLU 37 QG GLU 37 -4.981 -15.898 8.793 423 HA PRO 38 HA PRO 38 -5.340 -13.640 14.275 424 1HB PRO 38 1HB PRO 38 -3.450 -15.439 15.197 425 2HB PRO 38 2HB PRO 38 -5.219 -15.516 15.404 426 1HG PRO 38 1HG PRO 38 -3.514 -16.904 13.306 427 2HG PRO 38 2HG PRO 38 -4.838 -17.598 14.290 428 1HD PRO 38 1HD PRO 38 -5.229 -16.764 11.741 429 2HD PRO 38 2HD PRO 38 -6.481 -16.508 12.993 430 QB PRO 38 QB PRO 38 -4.334 -15.478 15.300 431 QG PRO 38 QG PRO 38 -4.176 -17.251 13.798 432 QD PRO 38 QD PRO 38 -5.855 -16.636 12.367 433 H GLY 39 H GLY 39 -4.419 -11.856 13.787 434 1HA GLY 39 1HA GLY 39 -2.387 -10.532 14.113 435 2HA GLY 39 2HA GLY 39 -1.490 -11.703 13.144 436 QA GLY 39 QA GLY 39 -1.939 -11.118 13.629 437 H ALA 40 H ALA 40 -4.475 -11.411 11.657 438 HA ALA 40 HA ALA 40 -3.611 -9.896 9.431 439 1HB ALA 40 2HB ALA 40 -5.462 -11.481 9.377 440 2HB ALA 40 3HB ALA 40 -6.422 -10.444 10.460 441 3HB ALA 40 1HB ALA 40 -5.987 -9.892 8.833 442 QB ALA 40 QB ALA 40 -5.957 -10.605 9.556 443 H GLU 41 H GLU 41 -5.112 -8.924 12.514 444 HA GLU 41 HA GLU 41 -5.880 -6.304 11.868 445 1HB GLU 41 1HB GLU 41 -6.243 -7.556 14.073 446 2HB GLU 41 2HB GLU 41 -4.571 -7.167 14.487 447 1HG GLU 41 1HG GLU 41 -5.219 -4.693 14.060 448 2HG GLU 41 2HG GLU 41 -6.892 -5.245 14.021 449 QB GLU 41 QB GLU 41 -5.407 -7.362 14.280 450 QG GLU 41 QG GLU 41 -6.055 -4.969 14.041 451 H GLU 42 H GLU 42 -2.660 -7.492 12.838 452 HA GLU 42 HA GLU 42 -1.542 -4.807 12.833 453 1HB GLU 42 1HB GLU 42 -0.793 -6.902 14.208 454 2HB GLU 42 2HB GLU 42 0.067 -7.381 12.750 455 1HG GLU 42 1HG GLU 42 1.583 -6.153 14.203 456 2HG GLU 42 2HG GLU 42 1.269 -5.177 12.779 457 QB GLU 42 QB GLU 42 -0.363 -7.141 13.479 458 QG GLU 42 QG GLU 42 1.426 -5.665 13.491 459 H LYS 43 H LYS 43 -1.864 -7.460 10.521 460 HA LYS 43 HA LYS 43 -0.143 -6.524 8.536 461 1HB LYS 43 1HB LYS 43 -1.819 -8.698 8.922 462 2HB LYS 43 2HB LYS 43 -2.614 -7.867 7.591 463 1HG LYS 43 1HG LYS 43 -0.648 -8.027 6.209 464 2HG LYS 43 2HG LYS 43 0.360 -8.551 7.567 465 1HD LYS 43 1HD LYS 43 -2.015 -10.158 6.551 466 2HD LYS 43 2HD LYS 43 -0.360 -10.389 5.974 467 1HE LYS 43 1HE LYS 43 0.398 -10.892 8.274 468 2HE LYS 43 2HE LYS 43 -1.231 -10.646 8.896 469 1HZ LYS 43 1HZ LYS 43 -0.492 -12.778 6.979 470 2HZ LYS 43 2HZ LYS 43 -0.680 -12.933 8.604 471 3HZ LYS 43 3HZ LYS 43 -1.975 -12.592 7.738 472 QB LYS 43 QB LYS 43 -2.216 -8.283 8.256 473 QG LYS 43 QG LYS 43 -0.144 -8.289 6.888 474 QD LYS 43 QD LYS 43 -1.188 -10.274 6.262 475 QE LYS 43 QE LYS 43 -0.417 -10.769 8.585 476 QZ LYS 43 QZ LYS 43 -1.049 -12.768 7.774 477 H PHE 44 H PHE 44 -3.635 -6.032 9.070 478 HA PHE 44 HA PHE 44 -4.237 -4.184 7.070 479 1HB PHE 44 1HB PHE 44 -5.821 -5.413 8.498 480 2HB PHE 44 2HB PHE 44 -5.367 -4.458 9.882 481 HD1 PHE 44 1HD PHE 44 -7.278 -4.481 6.730 482 HD2 PHE 44 2HD PHE 44 -6.092 -2.134 10.160 483 HE1 PHE 44 1HE PHE 44 -9.074 -2.836 6.245 484 HE2 PHE 44 2HE PHE 44 -7.881 -0.494 9.650 485 1HZ PHE 44 HZ PHE 44 -9.362 -0.836 7.695 486 QB PHE 44 QB PHE 44 -5.594 -4.936 9.190 487 QG PHE 44 QD PHE 44 -6.685 -3.308 8.445 488 QZ PHE 44 QE PHE 44 -8.477 -1.665 7.947 489 QZ PHE 44 QR PHE 44 -7.937 -2.156 8.096 490 H LYS 45 H LYS 45 -2.955 -3.590 10.351 491 HA LYS 45 HA LYS 45 -2.974 -0.739 10.286 492 1HB LYS 45 1HB LYS 45 -1.358 -2.827 11.774 493 2HB LYS 45 2HB LYS 45 -0.843 -1.169 11.865 494 1HG LYS 45 1HG LYS 45 -3.654 -2.062 12.500 495 2HG LYS 45 2HG LYS 45 -2.374 -1.998 13.703 496 1HD LYS 45 1HD LYS 45 -3.253 0.462 12.105 497 2HD LYS 45 2HD LYS 45 -3.957 -0.043 13.628 498 1HE LYS 45 1HE LYS 45 -2.441 1.537 14.321 499 2HE LYS 45 2HE LYS 45 -1.605 0.025 14.638 500 1HZ LYS 45 2HZ LYS 45 -1.142 1.753 12.264 501 2HZ LYS 45 3HZ LYS 45 -0.205 1.748 13.613 502 3HZ LYS 45 1HZ LYS 45 -0.245 0.446 12.656 503 QB LYS 45 QB LYS 45 -1.100 -1.998 11.820 504 QG LYS 45 QG LYS 45 -3.014 -2.030 13.101 505 QD LYS 45 QD LYS 45 -3.605 0.209 12.867 506 QE LYS 45 QE LYS 45 -2.023 0.781 14.480 507 QZ LYS 45 QZ LYS 45 -0.531 1.316 12.844 508 H GLU 46 H GLU 46 -0.299 -3.004 9.441 509 HA GLU 46 HA GLU 46 1.426 -0.867 8.730 510 1HB GLU 46 1HB GLU 46 1.551 -3.617 9.131 511 2HB GLU 46 2HB GLU 46 2.098 -3.437 7.470 512 1HG GLU 46 1HG GLU 46 3.164 -1.774 9.799 513 2HG GLU 46 2HG GLU 46 3.754 -3.370 9.432 514 QB GLU 46 QB GLU 46 1.825 -3.527 8.300 515 QG GLU 46 QG GLU 46 3.459 -2.572 9.616 516 H ILE 47 H ILE 47 -0.773 -2.944 6.874 517 HA ILE 47 HA ILE 47 -0.261 -2.033 4.270 518 HB ILE 47 HB ILE 47 -2.705 -3.082 5.701 519 1HG1 ILE 47 1HG1 ILE 47 -1.108 -4.120 3.319 520 2HG1 ILE 47 2HG1 ILE 47 -0.741 -4.536 4.983 521 1HG2 ILE 47 2HG2 ILE 47 -3.662 -1.499 4.067 522 2HG2 ILE 47 3HG2 ILE 47 -2.710 -2.269 2.773 523 3HG2 ILE 47 1HG2 ILE 47 -4.001 -3.155 3.620 524 1HD1 ILE 47 1HD1 ILE 47 -3.073 -5.478 5.219 525 2HD1 ILE 47 2HD1 ILE 47 -3.280 -5.246 3.468 526 3HD1 ILE 47 3HD1 ILE 47 -2.018 -6.329 4.070 527 QG1 ILE 47 QG1 ILE 47 -0.924 -4.328 4.151 528 QG2 ILE 47 QG2 ILE 47 -3.458 -2.308 3.487 529 QD1 ILE 47 QD1 ILE 47 -2.790 -5.684 4.252 530 H ALA 48 H ALA 48 -2.185 -0.385 6.902 531 HA ALA 48 HA ALA 48 -3.307 1.624 5.206 532 1HB ALA 48 3HB ALA 48 -4.022 1.106 7.574 533 2HB ALA 48 1HB ALA 48 -2.552 1.931 8.116 534 3HB ALA 48 2HB ALA 48 -3.773 2.834 7.219 535 QB ALA 48 QB ALA 48 -3.449 1.957 7.636 536 H GLU 49 H GLU 49 -0.096 1.407 6.636 537 HA GLU 49 HA GLU 49 0.447 4.225 6.062 538 1HB GLU 49 1HB GLU 49 1.460 2.887 7.941 539 2HB GLU 49 2HB GLU 49 2.454 2.041 6.750 540 1HG GLU 49 1HG GLU 49 3.589 4.109 6.142 541 2HG GLU 49 2HG GLU 49 2.327 5.080 6.869 542 QB GLU 49 QB GLU 49 1.957 2.464 7.345 543 QG GLU 49 QG GLU 49 2.958 4.595 6.506 544 H ALA 50 H ALA 50 0.766 1.150 4.375 545 HA ALA 50 HA ALA 50 2.250 2.288 2.111 546 1HB ALA 50 3HB ALA 50 0.558 -0.252 2.327 547 2HB ALA 50 1HB ALA 50 1.511 0.245 0.934 548 3HB ALA 50 2HB ALA 50 2.321 -0.147 2.466 549 QB ALA 50 QB ALA 50 1.463 -0.051 1.909 550 H TYR 51 H TYR 51 -1.093 1.614 3.015 551 HA TYR 51 HA TYR 51 -2.513 1.860 0.693 552 1HB TYR 51 1HB TYR 51 -3.061 1.281 3.218 553 2HB TYR 51 2HB TYR 51 -3.606 2.935 3.309 554 HD1 TYR 51 1HD TYR 51 -3.995 -0.401 1.776 555 HD2 TYR 51 2HD TYR 51 -5.870 3.370 2.627 556 HE1 TYR 51 1HE TYR 51 -6.178 -1.387 1.214 557 HE2 TYR 51 2HE TYR 51 -8.075 2.410 2.044 558 HH TYR 51 HH TYR 51 -8.368 -0.812 0.596 559 QB TYR 51 QB TYR 51 -3.334 2.108 3.263 560 QG TYR 51 QD TYR 51 -4.932 1.485 2.201 561 QZ TYR 51 QE TYR 51 -7.127 0.511 1.629 562 QR TYR 51 QR TYR 51 -6.029 0.998 1.915 563 H ASP 52 H ASP 52 -1.492 4.459 2.885 564 HA ASP 52 HA ASP 52 -2.950 6.596 1.703 565 1HB ASP 52 1HB ASP 52 -1.676 6.847 3.814 566 2HB ASP 52 2HB ASP 52 -0.161 6.720 2.927 567 QB ASP 52 QB ASP 52 -0.918 6.784 3.371 568 H VAL 53 H VAL 53 0.355 5.493 1.015 569 HA VAL 53 HA VAL 53 0.829 7.187 -1.276 570 HB VAL 53 HB VAL 53 2.157 5.070 0.398 571 1HG1 VAL 53 1HG1 VAL 53 2.679 4.309 -2.018 572 2HG1 VAL 53 2HG1 VAL 53 3.682 5.780 -2.069 573 3HG1 VAL 53 3HG1 VAL 53 3.982 4.542 -0.860 574 1HG2 VAL 53 1HG2 VAL 53 2.335 7.471 0.767 575 2HG2 VAL 53 2HG2 VAL 53 3.923 6.764 0.322 576 3HG2 VAL 53 3HG2 VAL 53 2.988 7.691 -0.880 577 QG1 VAL 53 QG1 VAL 53 3.448 4.877 -1.649 578 QG2 VAL 53 QG2 VAL 53 3.082 7.309 0.070 579 QQG VAL 53 QQG VAL 53 3.265 6.093 -0.790 580 H LEU 54 H LEU 54 -0.297 3.882 -0.766 581 HA LEU 54 HA LEU 54 -0.507 3.422 -3.673 582 1HB LEU 54 1HB LEU 54 -0.116 1.767 -1.260 583 2HB LEU 54 2HB LEU 54 -1.274 1.114 -2.374 584 HG LEU 54 HG LEU 54 0.284 1.168 -4.211 585 1HD1 LEU 54 3HD1 LEU 54 1.721 3.087 -3.615 586 2HD1 LEU 54 1HD1 LEU 54 2.409 2.129 -2.273 587 3HD1 LEU 54 2HD1 LEU 54 2.655 1.634 -3.965 588 1HD2 LEU 54 2HD2 LEU 54 0.184 -0.755 -2.677 589 2HD2 LEU 54 3HD2 LEU 54 1.758 -0.595 -3.460 590 3HD2 LEU 54 1HD2 LEU 54 1.551 -0.104 -1.759 591 QB LEU 54 QB LEU 54 -0.695 1.441 -1.817 592 QD1 LEU 54 QD1 LEU 54 2.262 2.283 -3.285 593 QD2 LEU 54 QD2 LEU 54 1.164 -0.485 -2.632 594 QQD LEU 54 QQD LEU 54 1.713 0.899 -2.958 595 H SER 55 H SER 55 -2.089 5.418 -2.631 596 HA SER 55 HA SER 55 -4.484 4.393 -3.981 597 1HB SER 55 1HB SER 55 -6.061 5.554 -2.479 598 2HB SER 55 2HB SER 55 -5.170 4.216 -1.728 599 HG SER 55 HG SER 55 -3.964 5.527 -0.600 600 QB SER 55 QB SER 55 -5.615 4.885 -2.104 601 H ASP 56 H ASP 56 -2.296 7.098 -3.248 602 HA ASP 56 HA ASP 56 -3.606 8.649 -5.419 603 1HB ASP 56 1HB ASP 56 -3.899 9.819 -3.354 604 2HB ASP 56 2HB ASP 56 -2.218 9.529 -2.874 605 QB ASP 56 QB ASP 56 -3.058 9.674 -3.114 606 HA PRO 57 HA PRO 57 0.408 7.657 -7.197 607 1HB PRO 57 1HB PRO 57 0.270 9.063 -9.543 608 2HB PRO 57 2HB PRO 57 -0.718 7.597 -9.218 609 1HG PRO 57 1HG PRO 57 -1.517 10.493 -9.041 610 2HG PRO 57 2HG PRO 57 -2.428 9.122 -9.738 611 1HD PRO 57 1HD PRO 57 -2.839 10.109 -7.204 612 2HD PRO 57 2HD PRO 57 -3.160 8.410 -7.655 613 QB PRO 57 QB PRO 57 -0.224 8.330 -9.381 614 QG PRO 57 QG PRO 57 -1.972 9.807 -9.390 615 QD PRO 57 QD PRO 57 -2.999 9.260 -7.429 616 H ARG 58 H ARG 58 -0.466 10.848 -6.181 617 HA ARG 58 HA ARG 58 1.845 12.203 -7.353 618 1HB ARG 58 1HB ARG 58 -0.295 13.254 -5.462 619 2HB ARG 58 2HB ARG 58 0.767 14.188 -6.502 620 1HG ARG 58 1HG ARG 58 -0.380 13.500 -8.494 621 2HG ARG 58 2HG ARG 58 -1.264 12.222 -7.661 622 1HD ARG 58 1HD ARG 58 -2.682 14.122 -8.151 623 2HD ARG 58 2HD ARG 58 -2.616 13.682 -6.446 624 HE ARG 58 HE ARG 58 -1.288 16.003 -7.772 625 1HH1 ARG 58 2HH2 ARG 58 -2.316 14.441 -4.751 626 2HH1 ARG 58 1HH2 ARG 58 -1.926 15.766 -3.714 627 1HH2 ARG 58 2HH1 ARG 58 -0.553 17.692 -6.413 628 2HH2 ARG 58 1HH1 ARG 58 -0.911 17.719 -4.705 629 QB ARG 58 QB ARG 58 0.236 13.721 -5.982 630 QG ARG 58 QG ARG 58 -0.822 12.861 -8.078 631 QD ARG 58 QD ARG 58 -2.649 13.902 -7.299 632 QH1 ARG 58 QH2 ARG 58 -2.121 15.103 -4.233 633 QH2 ARG 58 QH1 ARG 58 -0.732 17.706 -5.559 634 H LYS 59 H LYS 59 0.547 11.324 -4.141 635 HA LYS 59 HA LYS 59 2.830 12.260 -2.659 636 1HB LYS 59 1HB LYS 59 0.522 11.622 -1.727 637 2HB LYS 59 2HB LYS 59 0.910 9.941 -2.046 638 1HG LYS 59 1HG LYS 59 1.545 9.996 0.167 639 2HG LYS 59 2HG LYS 59 3.076 10.474 -0.537 640 1HD LYS 59 1HD LYS 59 2.783 12.106 1.085 641 2HD LYS 59 2HD LYS 59 2.139 12.929 -0.337 642 1HE LYS 59 1HE LYS 59 -0.157 11.981 0.349 643 2HE LYS 59 2HE LYS 59 0.602 11.460 1.865 644 1HZ LYS 59 1HZ LYS 59 1.279 13.950 1.964 645 2HZ LYS 59 2HZ LYS 59 0.107 14.163 0.851 646 3HZ LYS 59 3HZ LYS 59 -0.280 13.543 2.331 647 QB LYS 59 QB LYS 59 0.716 10.781 -1.887 648 QG LYS 59 QG LYS 59 2.310 10.235 -0.185 649 QD LYS 59 QD LYS 59 2.461 12.517 0.374 650 QE LYS 59 QE LYS 59 0.222 11.721 1.107 651 QZ LYS 59 QZ LYS 59 0.369 13.885 1.715 652 H ARG 60 H ARG 60 1.908 9.110 -4.089 653 HA ARG 60 HA ARG 60 4.052 7.517 -3.393 654 1HB ARG 60 1HB ARG 60 1.859 7.319 -5.003 655 2HB ARG 60 2HB ARG 60 3.101 7.433 -6.241 656 1HG ARG 60 1HG ARG 60 4.325 5.544 -5.055 657 2HG ARG 60 2HG ARG 60 2.917 5.474 -3.971 658 1HD ARG 60 1HD ARG 60 2.866 5.003 -6.914 659 2HD ARG 60 2HD ARG 60 2.755 3.772 -5.607 660 HE ARG 60 HE ARG 60 0.772 5.297 -4.877 661 1HH1 ARG 60 2HH2 ARG 60 1.333 4.320 -8.286 662 2HH1 ARG 60 1HH2 ARG 60 -0.207 4.892 -8.796 663 1HH2 ARG 60 2HH1 ARG 60 -1.183 5.868 -5.505 664 2HH2 ARG 60 1HH1 ARG 60 -1.898 5.490 -7.032 665 QB ARG 60 QB ARG 60 2.480 7.376 -5.622 666 QG ARG 60 QG ARG 60 3.621 5.509 -4.513 667 QD ARG 60 QD ARG 60 2.811 4.388 -6.261 668 QH1 ARG 60 QH2 ARG 60 0.563 4.606 -8.541 669 QH2 ARG 60 QH1 ARG 60 -1.540 5.679 -6.269 670 H GLU 61 H GLU 61 4.017 10.165 -5.802 671 HA GLU 61 HA GLU 61 6.490 9.378 -7.046 672 1HB GLU 61 1HB GLU 61 4.369 10.983 -7.722 673 2HB GLU 61 2HB GLU 61 5.466 12.213 -7.124 674 1HG GLU 61 1HG GLU 61 5.837 10.233 -9.358 675 2HG GLU 61 2HG GLU 61 5.750 11.992 -9.502 676 QB GLU 61 QB GLU 61 4.917 11.598 -7.423 677 QG GLU 61 QG GLU 61 5.794 11.113 -9.430 678 H ILE 62 H ILE 62 5.511 11.624 -4.486 679 HA ILE 62 HA ILE 62 8.121 12.826 -4.169 680 HB ILE 62 HB ILE 62 5.946 12.660 -2.016 681 1HG1 ILE 62 1HG1 ILE 62 6.173 14.686 -4.290 682 2HG1 ILE 62 2HG1 ILE 62 4.885 13.524 -4.043 683 1HG2 ILE 62 1HG2 ILE 62 8.183 13.477 -1.301 684 2HG2 ILE 62 2HG2 ILE 62 8.112 14.752 -2.542 685 3HG2 ILE 62 3HG2 ILE 62 6.972 14.725 -1.174 686 1HD1 ILE 62 2HD1 ILE 62 4.306 14.659 -1.886 687 2HD1 ILE 62 3HD1 ILE 62 5.471 15.941 -2.324 688 3HD1 ILE 62 1HD1 ILE 62 4.069 15.639 -3.350 689 QG1 ILE 62 QG1 ILE 62 5.529 14.105 -4.167 690 QG2 ILE 62 QG2 ILE 62 7.755 14.318 -1.673 691 QD1 ILE 62 QD1 ILE 62 4.615 15.413 -2.520 692 H PHE 63 H PHE 63 6.374 10.135 -2.515 693 HA PHE 63 HA PHE 63 8.499 9.478 -0.708 694 1HB PHE 63 1HB PHE 63 6.409 8.612 -0.119 695 2HB PHE 63 2HB PHE 63 5.916 8.320 -1.772 696 HD1 PHE 63 1HD PHE 63 7.998 6.924 0.981 697 HD2 PHE 63 2HD PHE 63 6.183 6.235 -2.872 698 HE1 PHE 63 1HE PHE 63 8.506 4.526 1.165 699 HE2 PHE 63 2HE PHE 63 6.677 3.811 -2.670 700 1HZ PHE 63 HZ PHE 63 7.814 2.949 -0.656 701 QB PHE 63 QB PHE 63 6.162 8.466 -0.946 702 QG PHE 63 QD PHE 63 7.090 6.580 -0.945 703 QZ PHE 63 QE PHE 63 7.592 4.168 -0.752 704 QZ PHE 63 QR PHE 63 7.436 4.889 -0.810 705 H ASP 64 H ASP 64 7.915 8.738 -4.142 706 HA ASP 64 HA ASP 64 9.834 6.620 -4.344 707 1HB ASP 64 1HB ASP 64 8.025 7.475 -6.083 708 2HB ASP 64 2HB ASP 64 9.272 8.578 -6.605 709 QB ASP 64 QB ASP 64 8.649 8.027 -6.344 710 H ARG 65 H ARG 65 9.989 10.127 -5.084 711 HA ARG 65 HA ARG 65 12.650 10.014 -5.912 712 1HB ARG 65 1HB ARG 65 12.463 12.191 -6.386 713 2HB ARG 65 2HB ARG 65 10.801 11.619 -6.538 714 1HG ARG 65 1HG ARG 65 10.358 12.684 -4.282 715 2HG ARG 65 2HG ARG 65 12.015 13.316 -4.344 716 1HD ARG 65 1HD ARG 65 10.644 15.058 -5.140 717 2HD ARG 65 2HD ARG 65 11.457 14.397 -6.540 718 HE ARG 65 HE ARG 65 9.380 13.167 -7.125 719 1HH1 ARG 65 2HH2 ARG 65 9.100 16.019 -5.039 720 2HH1 ARG 65 1HH2 ARG 65 7.447 16.327 -5.499 721 1HH2 ARG 65 2HH1 ARG 65 7.392 13.657 -7.792 722 2HH2 ARG 65 1HH1 ARG 65 6.393 14.914 -7.065 723 QB ARG 65 QB ARG 65 11.632 11.905 -6.462 724 QG ARG 65 QG ARG 65 11.187 13.000 -4.313 725 QD ARG 65 QD ARG 65 11.050 14.727 -5.840 726 QH1 ARG 65 QH2 ARG 65 8.274 16.173 -5.269 727 QH2 ARG 65 QH1 ARG 65 6.892 14.286 -7.429 728 H TYR 66 H TYR 66 11.313 11.066 -2.851 729 HA TYR 66 HA TYR 66 14.018 11.540 -1.692 730 1HB TYR 66 1HB TYR 66 11.227 12.235 -0.745 731 2HB TYR 66 2HB TYR 66 12.709 12.715 0.091 732 HD1 TYR 66 1HD TYR 66 14.510 13.662 -2.045 733 HD2 TYR 66 2HD TYR 66 10.283 14.274 -1.440 734 HE1 TYR 66 1HE TYR 66 14.623 15.721 -3.373 735 HE2 TYR 66 2HE TYR 66 10.396 16.366 -2.748 736 HH TYR 66 HH TYR 66 11.723 17.524 -4.334 737 QB TYR 66 QB TYR 66 11.968 12.475 -0.327 738 QG TYR 66 QD TYR 66 12.397 13.968 -1.742 739 QZ TYR 66 QE TYR 66 12.510 16.044 -3.061 740 QR TYR 66 QR TYR 66 12.453 15.006 -2.401 741 H GLY 67 H GLY 67 11.722 8.963 -1.542 742 1HA GLY 67 1HA GLY 67 11.622 7.198 -0.071 743 2HA GLY 67 2HA GLY 67 12.892 7.914 0.924 744 QA GLY 67 QA GLY 67 12.257 7.556 0.426 745 H GLU 68 H GLU 68 11.305 7.149 2.606 746 HA GLU 68 HA GLU 68 8.674 8.264 2.727 747 1HB GLU 68 1HB GLU 68 9.728 6.035 3.635 748 2HB GLU 68 2HB GLU 68 10.065 6.971 5.083 749 1HG GLU 68 1HG GLU 68 7.287 6.804 3.821 750 2HG GLU 68 2HG GLU 68 7.904 5.567 4.901 751 QB GLU 68 QB GLU 68 9.896 6.503 4.359 752 QG GLU 68 QG GLU 68 7.595 6.185 4.361 753 H GLU 69 H GLU 69 11.689 9.626 3.658 754 HA GLU 69 HA GLU 69 10.779 11.380 5.792 755 1HB GLU 69 1HB GLU 69 13.096 11.419 3.798 756 2HB GLU 69 2HB GLU 69 12.760 12.768 4.867 757 1HG GLU 69 1HG GLU 69 14.383 11.483 5.992 758 2HG GLU 69 2HG GLU 69 12.862 11.257 6.859 759 QB GLU 69 QB GLU 69 12.928 12.094 4.333 760 QG GLU 69 QG GLU 69 13.623 11.370 6.425 761 H GLY 70 H GLY 70 11.028 11.585 2.237 762 1HA GLY 70 1HA GLY 70 10.296 14.323 1.884 763 2HA GLY 70 2HA GLY 70 10.221 13.057 0.710 764 QA GLY 70 QA GLY 70 10.258 13.690 1.297 765 H LEU 71 H LEU 71 8.469 11.442 2.570 766 HA LEU 71 HA LEU 71 6.276 11.769 0.889 767 1HB LEU 71 1HB LEU 71 7.024 9.722 2.055 768 2HB LEU 71 2HB LEU 71 6.425 10.333 3.587 769 HG LEU 71 HG LEU 71 4.656 9.808 1.164 770 1HD1 LEU 71 2HD1 LEU 71 5.309 8.058 3.575 771 2HD1 LEU 71 3HD1 LEU 71 4.055 7.700 2.393 772 3HD1 LEU 71 1HD1 LEU 71 5.754 7.718 1.894 773 1HD2 LEU 71 3HD2 LEU 71 3.580 11.275 2.947 774 2HD2 LEU 71 1HD2 LEU 71 2.808 9.716 2.739 775 3HD2 LEU 71 2HD2 LEU 71 3.894 9.991 4.118 776 QB LEU 71 QB LEU 71 6.724 10.028 2.821 777 QD1 LEU 71 QD1 LEU 71 5.039 7.825 2.621 778 QD2 LEU 71 QD2 LEU 71 3.427 10.327 3.268 779 QQD LEU 71 QQD LEU 71 4.233 9.076 2.944 780 H LYS 72 H LYS 72 6.289 12.409 4.468 781 HA LYS 72 HA LYS 72 4.111 14.398 3.977 782 1HB LYS 72 1HB LYS 72 3.878 12.068 5.345 783 2HB LYS 72 2HB LYS 72 4.490 13.093 6.634 784 1HG LYS 72 1HG LYS 72 2.558 14.753 5.823 785 2HG LYS 72 2HG LYS 72 1.938 13.322 4.990 786 1HD LYS 72 1HD LYS 72 0.833 13.327 7.103 787 2HD LYS 72 2HD LYS 72 2.123 12.116 7.272 788 1HE LYS 72 1HE LYS 72 3.536 14.230 8.102 789 2HE LYS 72 2HE LYS 72 1.948 14.949 8.359 790 1HZ LYS 72 1HZ LYS 72 1.446 13.009 9.808 791 2HZ LYS 72 2HZ LYS 72 3.001 12.477 9.592 792 3HZ LYS 72 3HZ LYS 72 2.740 13.885 10.339 793 QB LYS 72 QB LYS 72 4.184 12.580 5.989 794 QG LYS 72 QG LYS 72 2.248 14.038 5.407 795 QD LYS 72 QD LYS 72 1.478 12.722 7.187 796 QE LYS 72 QE LYS 72 2.742 14.589 8.230 797 QZ LYS 72 QZ LYS 72 2.395 13.124 9.913 798 H GLY 73 H GLY 73 7.385 14.295 4.860 799 1HA GLY 73 1HA GLY 73 7.326 16.394 6.878 800 2HA GLY 73 2HA GLY 73 8.741 15.801 5.990 801 QA GLY 73 QA GLY 73 8.034 16.097 6.434 802 H SER 74 H SER 74 9.438 16.892 4.171 803 HA SER 74 HA SER 74 8.342 19.509 3.619 804 1HB SER 74 1HB SER 74 10.559 17.839 2.384 805 2HB SER 74 2HB SER 74 10.185 19.506 1.899 806 HG SER 74 HG SER 74 11.001 18.535 4.438 807 QB SER 74 QB SER 74 10.372 18.673 2.141 808 H GLY 75 H GLY 75 7.086 16.590 2.607 809 1HA GLY 75 1HA GLY 75 6.681 17.126 -0.202 810 2HA GLY 75 2HA GLY 75 5.915 15.869 0.781 811 QA GLY 75 QA GLY 75 6.298 16.498 0.289 812 H CYS 76 H CYS 76 4.427 17.038 -1.072 813 HA CYS 76 HA CYS 76 2.256 18.123 0.515 814 1HB CYS 76 1HB CYS 76 3.281 19.452 -2.040 815 2HB CYS 76 2HB CYS 76 1.609 19.565 -1.489 816 HG CYS 76 HG CYS 76 4.349 20.439 0.143 817 QB CYS 76 QB CYS 76 2.445 19.508 -1.764 No H/Q in entry = 817 Start of MODEL 15 1 H MET 0 H MET 0 12.565 -7.521 5.377 2 HA MET 0 HA MET 0 10.532 -6.062 5.103 3 1HB MET 0 1HB MET 0 11.381 -7.153 7.798 4 2HB MET 0 2HB MET 0 9.841 -6.330 7.604 5 1HG MET 0 1HG MET 0 10.698 -8.704 5.928 6 2HG MET 0 2HG MET 0 9.718 -8.821 7.389 7 1HE MET 0 3HE MET 0 7.641 -6.614 7.394 8 2HE MET 0 1HE MET 0 6.325 -7.274 6.414 9 3HE MET 0 2HE MET 0 7.204 -8.325 7.554 10 QB MET 0 QB MET 0 10.611 -6.741 7.701 11 QG MET 0 QG MET 0 10.208 -8.763 6.659 12 QE MET 0 QE MET 0 7.057 -7.404 7.121 13 H GLY 1 H GLY 1 11.309 -3.938 4.408 14 1HA GLY 1 1HA GLY 1 11.785 -2.021 6.623 15 2HA GLY 1 2HA GLY 1 12.315 -1.861 4.949 16 QA GLY 1 QA GLY 1 12.050 -1.941 5.786 17 H LYS 2 H LYS 2 9.113 -3.122 5.269 18 HA LYS 2 HA LYS 2 7.110 -2.332 4.611 19 1HB LYS 2 1HB LYS 2 7.017 -1.471 6.796 20 2HB LYS 2 2HB LYS 2 8.040 -0.121 6.408 21 1HG LYS 2 1HG LYS 2 5.778 0.185 4.675 22 2HG LYS 2 2HG LYS 2 5.127 -0.418 6.198 23 1HD LYS 2 1HD LYS 2 5.190 1.996 6.349 24 2HD LYS 2 2HD LYS 2 6.447 1.335 7.398 25 1HE LYS 2 1HE LYS 2 8.144 1.701 5.631 26 2HE LYS 2 2HE LYS 2 6.924 2.439 4.597 27 1HZ LYS 2 3HZ LYS 2 7.545 3.461 7.292 28 2HZ LYS 2 1HZ LYS 2 8.389 3.956 5.965 29 3HZ LYS 2 2HZ LYS 2 6.768 4.246 6.077 30 QB LYS 2 QB LYS 2 7.528 -0.796 6.602 31 QG LYS 2 QG LYS 2 5.452 -0.116 5.436 32 QD LYS 2 QD LYS 2 5.818 1.665 6.873 33 QE LYS 2 QE LYS 2 7.534 2.070 5.114 34 QZ LYS 2 QZ LYS 2 7.567 3.888 6.444 35 H ASP 3 H ASP 3 7.898 -2.516 2.553 36 HA ASP 3 HA ASP 3 9.002 -0.423 0.964 37 1HB ASP 3 1HB ASP 3 9.218 -2.849 0.565 38 2HB ASP 3 2HB ASP 3 7.472 -2.991 0.377 39 QB ASP 3 QB ASP 3 8.345 -2.920 0.471 40 H TYR 4 H TYR 4 5.815 -0.929 2.061 41 HA TYR 4 HA TYR 4 3.823 -0.024 1.767 42 1HB TYR 4 1HB TYR 4 5.064 2.008 -0.106 43 2HB TYR 4 2HB TYR 4 3.412 1.994 0.457 44 HD1 TYR 4 1HD TYR 4 3.278 1.609 3.228 45 HD2 TYR 4 2HD TYR 4 6.278 3.706 0.966 46 HE1 TYR 4 1HE TYR 4 3.579 3.164 5.101 47 HE2 TYR 4 2HE TYR 4 6.670 5.220 2.938 48 HH TYR 4 HH TYR 4 4.508 5.262 5.699 49 QB TYR 4 QB TYR 4 4.238 2.001 0.176 50 QG TYR 4 QD TYR 4 4.778 2.658 2.097 51 QZ TYR 4 QE TYR 4 5.125 4.192 4.019 52 QR TYR 4 QR TYR 4 4.952 3.425 3.058 53 H TYR 5 H TYR 5 5.368 -0.023 -1.500 54 HA TYR 5 HA TYR 5 2.995 -0.774 -2.934 55 1HB TYR 5 1HB TYR 5 5.946 -0.710 -3.469 56 2HB TYR 5 2HB TYR 5 4.967 -1.772 -4.462 57 HD1 TYR 5 1HD TYR 5 5.178 1.789 -3.269 58 HD2 TYR 5 2HD TYR 5 3.674 -0.933 -6.258 59 HE1 TYR 5 1HE TYR 5 4.382 3.708 -4.618 60 HE2 TYR 5 2HE TYR 5 2.863 0.959 -7.590 61 HH TYR 5 HH TYR 5 3.775 4.147 -7.169 62 QB TYR 5 QB TYR 5 5.457 -1.241 -3.966 63 QG TYR 5 QD TYR 5 4.426 0.428 -4.763 64 QZ TYR 5 QE TYR 5 3.623 2.333 -6.104 65 QR TYR 5 QR TYR 5 4.024 1.381 -5.433 66 H GLN 6 H GLN 6 5.811 -2.813 -1.909 67 HA GLN 6 HA GLN 6 4.393 -5.223 -2.382 68 1HB GLN 6 1HB GLN 6 6.918 -4.760 -2.258 69 2HB GLN 6 2HB GLN 6 6.756 -4.880 -0.502 70 1HG GLN 6 1HG GLN 6 5.846 -7.207 -0.806 71 2HG GLN 6 2HG GLN 6 6.162 -7.057 -2.540 72 1HE2 GLN 6 2HE2 GLN 6 9.840 -6.835 -1.914 73 2HE2 GLN 6 1HE2 GLN 6 8.595 -6.186 -2.978 74 QB GLN 6 QB GLN 6 6.837 -4.820 -1.380 75 QG GLN 6 QG GLN 6 6.004 -7.132 -1.673 76 QE2 GLN 6 QE2 GLN 6 9.217 -6.511 -2.446 77 H THR 7 H THR 7 4.611 -3.188 0.553 78 HA THR 7 HA THR 7 3.452 -5.042 2.386 79 HB THR 7 HB THR 7 3.098 -2.025 2.327 80 HG1 THR 7 1HG THR 7 5.239 -3.533 3.410 81 1HG2 THR 7 2HG2 THR 7 3.217 -3.931 4.713 82 2HG2 THR 7 3HG2 THR 7 3.178 -2.165 4.808 83 3HG2 THR 7 1HG2 THR 7 1.796 -3.038 4.144 84 QG2 THR 7 QG2 THR 7 2.730 -3.045 4.555 85 H LEU 8 H LEU 8 2.141 -3.166 -0.225 86 HA LEU 8 HA LEU 8 -0.614 -4.047 0.330 87 1HB LEU 8 1HB LEU 8 0.033 -1.586 0.049 88 2HB LEU 8 2HB LEU 8 0.268 -1.950 -1.646 89 HG LEU 8 HG LEU 8 -2.314 -3.009 -0.784 90 1HD1 LEU 8 3HD1 LEU 8 -2.125 -1.299 1.016 91 2HD1 LEU 8 1HD1 LEU 8 -2.082 -0.049 -0.237 92 3HD1 LEU 8 2HD1 LEU 8 -3.507 -1.103 -0.067 93 1HD2 LEU 8 1HD2 LEU 8 -1.602 -0.715 -2.652 94 2HD2 LEU 8 2HD2 LEU 8 -1.869 -2.426 -3.070 95 3HD2 LEU 8 3HD2 LEU 8 -3.205 -1.448 -2.498 96 QB LEU 8 QB LEU 8 0.151 -1.768 -0.799 97 QD1 LEU 8 QD1 LEU 8 -2.571 -0.817 0.237 98 QD2 LEU 8 QD2 LEU 8 -2.225 -1.530 -2.740 99 QQD LEU 8 QQD LEU 8 -2.398 -1.173 -1.252 100 H GLY 9 H GLY 9 1.850 -5.534 -1.043 101 1HA GLY 9 1HA GLY 9 1.814 -7.418 -2.336 102 2HA GLY 9 2HA GLY 9 0.100 -7.144 -2.647 103 QA GLY 9 QA GLY 9 0.957 -7.281 -2.492 104 H LEU 10 H LEU 10 2.780 -4.899 -3.516 105 HA LEU 10 HA LEU 10 2.307 -5.400 -6.419 106 1HB LEU 10 1HB LEU 10 2.422 -2.764 -4.936 107 2HB LEU 10 2HB LEU 10 2.319 -2.905 -6.675 108 HG LEU 10 HG LEU 10 0.103 -4.234 -5.105 109 1HD1 LEU 10 1HD1 LEU 10 0.588 -1.285 -5.419 110 2HD1 LEU 10 2HD1 LEU 10 -1.010 -1.989 -5.054 111 3HD1 LEU 10 3HD1 LEU 10 0.345 -2.210 -3.924 112 1HD2 LEU 10 1HD2 LEU 10 0.301 -4.275 -7.629 113 2HD2 LEU 10 2HD2 LEU 10 -1.203 -3.578 -7.012 114 3HD2 LEU 10 3HD2 LEU 10 0.069 -2.515 -7.600 115 QB LEU 10 QB LEU 10 2.371 -2.835 -5.806 116 QD1 LEU 10 QD1 LEU 10 -0.026 -1.828 -4.799 117 QD2 LEU 10 QD2 LEU 10 -0.278 -3.456 -7.414 118 QQD LEU 10 QQD LEU 10 -0.152 -2.642 -6.106 119 H ALA 11 H ALA 11 3.926 -3.838 -7.622 120 HA ALA 11 HA ALA 11 6.494 -3.317 -6.282 121 1HB ALA 11 3HB ALA 11 6.752 -5.450 -7.685 122 2HB ALA 11 1HB ALA 11 6.341 -4.446 -9.108 123 3HB ALA 11 2HB ALA 11 7.781 -4.077 -8.166 124 QB ALA 11 QB ALA 11 6.958 -4.658 -8.320 125 H ARG 12 H ARG 12 7.734 -1.846 -7.664 126 HA ARG 12 HA ARG 12 6.306 0.404 -8.745 127 1HB ARG 12 1HB ARG 12 9.081 -0.509 -9.549 128 2HB ARG 12 2HB ARG 12 8.390 1.104 -9.605 129 1HG ARG 12 1HG ARG 12 9.579 1.492 -7.769 130 2HG ARG 12 2HG ARG 12 8.307 0.653 -6.896 131 1HD ARG 12 1HD ARG 12 9.567 -1.351 -6.723 132 2HD ARG 12 2HD ARG 12 10.583 -0.966 -8.105 133 HE ARG 12 HE ARG 12 11.131 -0.402 -5.390 134 1HH1 ARG 12 2HH2 ARG 12 11.557 1.062 -8.622 135 2HH1 ARG 12 1HH2 ARG 12 12.943 1.971 -8.192 136 1HH2 ARG 12 2HH1 ARG 12 13.331 0.487 -4.978 137 2HH2 ARG 12 1HH1 ARG 12 13.963 1.582 -6.148 138 QB ARG 12 QB ARG 12 8.736 0.298 -9.577 139 QG ARG 12 QG ARG 12 8.943 1.072 -7.333 140 QD ARG 12 QD ARG 12 10.075 -1.158 -7.414 141 QH1 ARG 12 QH2 ARG 12 12.250 1.517 -8.407 142 QH2 ARG 12 QH1 ARG 12 13.647 1.034 -5.563 143 H GLY 13 H GLY 13 5.094 0.259 -10.485 144 1HA GLY 13 1HA GLY 13 5.393 0.116 -13.023 145 2HA GLY 13 2HA GLY 13 5.669 -1.608 -12.748 146 QA GLY 13 QA GLY 13 5.531 -0.746 -12.886 147 H ALA 14 H ALA 14 3.418 -0.503 -10.485 148 HA ALA 14 HA ALA 14 1.222 -1.991 -11.718 149 1HB ALA 14 1HB ALA 14 1.618 -0.428 -9.120 150 2HB ALA 14 2HB ALA 14 0.135 -1.276 -9.545 151 3HB ALA 14 3HB ALA 14 1.640 -2.198 -9.331 152 QB ALA 14 QB ALA 14 1.131 -1.301 -9.332 153 H SER 15 H SER 15 -0.518 -1.043 -12.797 154 HA SER 15 HA SER 15 -0.664 1.853 -13.167 155 1HB SER 15 1HB SER 15 -2.774 1.381 -14.275 156 2HB SER 15 2HB SER 15 -1.587 0.197 -14.844 157 HG SER 15 HG SER 15 -3.617 -0.783 -14.261 158 QB SER 15 QB SER 15 -2.181 0.789 -14.559 159 H ASP 16 H ASP 16 -2.653 3.067 -12.395 160 HA ASP 16 HA ASP 16 -2.546 2.740 -9.540 161 1HB ASP 16 1HB ASP 16 -3.936 4.733 -11.327 162 2HB ASP 16 2HB ASP 16 -4.224 4.688 -9.584 163 QB ASP 16 QB ASP 16 -4.080 4.710 -10.455 164 H GLU 17 H GLU 17 -4.475 1.393 -11.977 165 HA GLU 17 HA GLU 17 -6.798 0.776 -10.287 166 1HB GLU 17 1HB GLU 17 -6.514 1.106 -12.989 167 2HB GLU 17 2HB GLU 17 -6.354 -0.635 -12.888 168 1HG GLU 17 1HG GLU 17 -8.652 1.042 -11.789 169 2HG GLU 17 2HG GLU 17 -8.677 0.210 -13.331 170 QB GLU 17 QB GLU 17 -6.434 0.236 -12.938 171 QG GLU 17 QG GLU 17 -8.664 0.626 -12.560 172 H GLU 18 H GLU 18 -3.598 -0.587 -11.034 173 HA GLU 18 HA GLU 18 -4.342 -3.323 -10.231 174 1HB GLU 18 1HB GLU 18 -2.315 -2.273 -11.775 175 2HB GLU 18 2HB GLU 18 -1.491 -2.464 -10.251 176 1HG GLU 18 1HG GLU 18 -3.110 -4.763 -11.403 177 2HG GLU 18 2HG GLU 18 -1.507 -4.397 -12.013 178 QB GLU 18 QB GLU 18 -1.903 -2.369 -11.013 179 QG GLU 18 QG GLU 18 -2.308 -4.580 -11.708 180 H ILE 19 H ILE 19 -2.982 -0.305 -9.118 181 HA ILE 19 HA ILE 19 -2.443 -1.055 -6.428 182 HB ILE 19 HB ILE 19 -2.926 1.564 -7.841 183 1HG1 ILE 19 1HG1 ILE 19 -0.580 0.148 -6.538 184 2HG1 ILE 19 2HG1 ILE 19 -0.846 0.415 -8.248 185 1HG2 ILE 19 1HG2 ILE 19 -2.598 1.255 -4.847 186 2HG2 ILE 19 2HG2 ILE 19 -2.333 2.781 -5.739 187 3HG2 ILE 19 3HG2 ILE 19 -3.911 2.043 -5.734 188 1HD1 ILE 19 3HD1 ILE 19 -0.638 2.880 -7.814 189 2HD1 ILE 19 1HD1 ILE 19 -0.070 2.455 -6.169 190 3HD1 ILE 19 2HD1 ILE 19 0.825 1.901 -7.594 191 QG1 ILE 19 QG1 ILE 19 -0.713 0.282 -7.393 192 QG2 ILE 19 QG2 ILE 19 -2.947 2.026 -5.440 193 QD1 ILE 19 QD1 ILE 19 0.039 2.412 -7.192 194 H LYS 20 H LYS 20 -5.324 0.788 -7.639 195 HA LYS 20 HA LYS 20 -6.783 0.355 -5.283 196 1HB LYS 20 1HB LYS 20 -7.656 1.026 -8.095 197 2HB LYS 20 2HB LYS 20 -8.863 0.709 -6.835 198 1HG LYS 20 1HG LYS 20 -7.851 2.369 -5.356 199 2HG LYS 20 2HG LYS 20 -6.596 2.710 -6.544 200 1HD LYS 20 1HD LYS 20 -9.576 3.159 -7.014 201 2HD LYS 20 2HD LYS 20 -8.501 4.386 -6.358 202 1HE LYS 20 1HE LYS 20 -8.275 3.104 -9.109 203 2HE LYS 20 2HE LYS 20 -8.864 4.731 -8.752 204 1HZ LYS 20 2HZ LYS 20 -6.549 5.067 -7.746 205 2HZ LYS 20 3HZ LYS 20 -6.127 3.703 -8.560 206 3HZ LYS 20 1HZ LYS 20 -6.674 5.017 -9.387 207 QB LYS 20 QB LYS 20 -8.260 0.868 -7.465 208 QG LYS 20 QG LYS 20 -7.224 2.539 -5.950 209 QD LYS 20 QD LYS 20 -9.039 3.773 -6.686 210 QE LYS 20 QE LYS 20 -8.569 3.918 -8.930 211 QZ LYS 20 QZ LYS 20 -6.450 4.596 -8.564 212 H ARG 21 H ARG 21 -6.536 -1.895 -8.014 213 HA ARG 21 HA ARG 21 -8.398 -3.864 -7.118 214 1HB ARG 21 1HB ARG 21 -7.301 -4.087 -9.239 215 2HB ARG 21 2HB ARG 21 -5.717 -4.035 -8.539 216 1HG ARG 21 1HG ARG 21 -5.989 -6.230 -7.521 217 2HG ARG 21 2HG ARG 21 -7.667 -6.317 -8.107 218 1HD ARG 21 1HD ARG 21 -6.946 -6.398 -10.399 219 2HD ARG 21 2HD ARG 21 -5.330 -5.823 -9.988 220 HE ARG 21 HE ARG 21 -4.643 -7.900 -9.763 221 1HH1 ARG 21 2HH2 ARG 21 -8.140 -8.051 -9.046 222 2HH1 ARG 21 1HH2 ARG 21 -8.208 -9.764 -9.120 223 1HH2 ARG 21 2HH1 ARG 21 -4.815 -10.140 -10.014 224 2HH2 ARG 21 1HH1 ARG 21 -6.226 -11.017 -9.570 225 QB ARG 21 QB ARG 21 -6.509 -4.061 -8.889 226 QG ARG 21 QG ARG 21 -6.828 -6.273 -7.814 227 QD ARG 21 QD ARG 21 -6.138 -6.111 -10.194 228 QH1 ARG 21 QH2 ARG 21 -8.174 -8.907 -9.083 229 QH2 ARG 21 QH1 ARG 21 -5.520 -10.578 -9.792 230 H ALA 22 H ALA 22 -4.908 -3.715 -6.601 231 HA ALA 22 HA ALA 22 -4.662 -5.736 -4.708 232 1HB ALA 22 3HB ALA 22 -2.787 -4.757 -5.893 233 2HB ALA 22 1HB ALA 22 -2.952 -3.252 -4.968 234 3HB ALA 22 2HB ALA 22 -2.515 -4.767 -4.147 235 QB ALA 22 QB ALA 22 -2.751 -4.258 -5.003 236 H TYR 23 H TYR 23 -5.062 -2.152 -3.945 237 HA TYR 23 HA TYR 23 -5.138 -2.075 -1.301 238 1HB TYR 23 1HB TYR 23 -5.498 -0.518 -3.487 239 2HB TYR 23 2HB TYR 23 -7.181 -0.773 -3.218 240 HD1 TYR 23 2HD TYR 23 -3.992 0.589 -2.000 241 HD2 TYR 23 1HD TYR 23 -8.321 0.715 -1.778 242 HE1 TYR 23 2HE TYR 23 -3.871 2.887 -1.173 243 HE2 TYR 23 1HE TYR 23 -8.190 3.029 -0.905 244 HH TYR 23 HH TYR 23 -5.068 4.594 -0.221 245 QB TYR 23 QB TYR 23 -6.339 -0.646 -3.352 246 QG TYR 23 QD TYR 23 -6.156 0.652 -1.889 247 QZ TYR 23 QE TYR 23 -6.031 2.958 -1.039 248 QR TYR 23 QR TYR 23 -6.093 1.805 -1.464 249 H ARG 24 H ARG 24 -8.198 -2.512 -3.241 250 HA ARG 24 HA ARG 24 -9.688 -3.021 -0.837 251 1HB ARG 24 1HB ARG 24 -11.542 -3.645 -2.250 252 2HB ARG 24 2HB ARG 24 -10.758 -2.179 -2.839 253 1HG ARG 24 1HG ARG 24 -9.607 -3.542 -4.592 254 2HG ARG 24 2HG ARG 24 -10.508 -4.970 -4.053 255 1HD ARG 24 1HD ARG 24 -12.609 -3.936 -4.622 256 2HD ARG 24 2HD ARG 24 -11.822 -2.373 -4.932 257 HE ARG 24 HE ARG 24 -10.563 -4.039 -6.682 258 1HH1 ARG 24 2HH2 ARG 24 -13.988 -3.149 -6.124 259 2HH1 ARG 24 1HH2 ARG 24 -14.366 -3.219 -7.830 260 1HH2 ARG 24 2HH1 ARG 24 -11.173 -3.969 -8.968 261 2HH2 ARG 24 1HH1 ARG 24 -12.849 -3.776 -9.341 262 QB ARG 24 QB ARG 24 -11.150 -2.912 -2.544 263 QG ARG 24 QG ARG 24 -10.057 -4.256 -4.322 264 QD ARG 24 QD ARG 24 -12.216 -3.155 -4.777 265 QH1 ARG 24 QH2 ARG 24 -14.177 -3.184 -6.977 266 QH2 ARG 24 QH1 ARG 24 -12.011 -3.872 -9.154 267 H ARG 25 H ARG 25 -8.054 -5.168 -3.165 268 HA ARG 25 HA ARG 25 -8.985 -7.629 -2.046 269 1HB ARG 25 1HB ARG 25 -7.994 -7.216 -4.302 270 2HB ARG 25 2HB ARG 25 -6.419 -6.977 -3.545 271 1HG ARG 25 1HG ARG 25 -6.456 -9.364 -2.786 272 2HG ARG 25 2HG ARG 25 -8.029 -9.560 -3.613 273 1HD ARG 25 1HD ARG 25 -6.939 -8.690 -5.725 274 2HD ARG 25 2HD ARG 25 -5.394 -8.655 -4.861 275 HE ARG 25 HE ARG 25 -6.827 -11.243 -4.999 276 1HH1 ARG 25 2HH2 ARG 25 -4.080 -9.302 -6.110 277 2HH1 ARG 25 1HH2 ARG 25 -3.498 -10.445 -7.231 278 1HH2 ARG 25 2HH1 ARG 25 -6.138 -12.789 -6.624 279 2HH2 ARG 25 1HH1 ARG 25 -4.750 -12.457 -7.574 280 QB ARG 25 QB ARG 25 -7.207 -7.096 -3.924 281 QG ARG 25 QG ARG 25 -7.243 -9.462 -3.199 282 QD ARG 25 QD ARG 25 -6.166 -8.673 -5.293 283 QH1 ARG 25 QH2 ARG 25 -3.789 -9.873 -6.671 284 QH2 ARG 25 QH1 ARG 25 -5.444 -12.623 -7.099 285 H GLN 26 H GLN 26 -6.348 -5.408 -1.041 286 HA GLN 26 HA GLN 26 -5.068 -7.296 0.697 287 1HB GLN 26 1HB GLN 26 -4.819 -4.451 -0.249 288 2HB GLN 26 2HB GLN 26 -4.141 -4.676 1.271 289 1HG GLN 26 1HG GLN 26 -3.539 -6.659 -0.996 290 2HG GLN 26 2HG GLN 26 -2.774 -5.101 -0.965 291 1HE2 GLN 26 2HE2 GLN 26 -0.972 -5.978 2.212 292 2HE2 GLN 26 1HE2 GLN 26 -2.354 -4.951 1.985 293 QB GLN 26 QB GLN 26 -4.480 -4.564 0.511 294 QG GLN 26 QG GLN 26 -3.156 -5.880 -0.980 295 QE2 GLN 26 QE2 GLN 26 -1.663 -5.465 2.099 296 H ALA 27 H ALA 27 -7.111 -4.364 1.157 297 HA ALA 27 HA ALA 27 -7.422 -4.601 3.986 298 1HB ALA 27 3HB ALA 27 -9.200 -3.472 1.797 299 2HB ALA 27 1HB ALA 27 -9.535 -3.293 3.532 300 3HB ALA 27 2HB ALA 27 -8.063 -2.580 2.841 301 QB ALA 27 QB ALA 27 -8.933 -3.115 2.723 302 H LEU 28 H LEU 28 -9.138 -6.184 1.251 303 HA LEU 28 HA LEU 28 -10.980 -7.669 2.869 304 1HB LEU 28 1HB LEU 28 -11.277 -7.363 0.443 305 2HB LEU 28 2HB LEU 28 -9.793 -8.259 0.137 306 HG LEU 28 HG LEU 28 -10.883 -10.296 1.212 307 1HD1 LEU 28 2HD1 LEU 28 -13.363 -8.514 1.042 308 2HD1 LEU 28 3HD1 LEU 28 -13.380 -10.267 1.313 309 3HD1 LEU 28 1HD1 LEU 28 -12.653 -9.200 2.521 310 1HD2 LEU 28 3HD2 LEU 28 -12.167 -9.032 -1.237 311 2HD2 LEU 28 1HD2 LEU 28 -10.686 -10.028 -1.194 312 3HD2 LEU 28 2HD2 LEU 28 -12.243 -10.764 -0.798 313 QB LEU 28 QB LEU 28 -10.535 -7.811 0.290 314 QD1 LEU 28 QD1 LEU 28 -13.132 -9.327 1.626 315 QD2 LEU 28 QD2 LEU 28 -11.699 -9.941 -1.076 316 QQD LEU 28 QQD LEU 28 -12.415 -9.634 0.275 317 H ARG 29 H ARG 29 -7.772 -8.624 1.410 318 HA ARG 29 HA ARG 29 -7.722 -11.223 2.230 319 1HB ARG 29 1HB ARG 29 -6.145 -10.280 0.615 320 2HB ARG 29 2HB ARG 29 -5.555 -9.126 1.798 321 1HG ARG 29 1HG ARG 29 -3.924 -10.831 1.417 322 2HG ARG 29 2HG ARG 29 -4.495 -10.816 3.074 323 1HD ARG 29 1HD ARG 29 -6.162 -12.677 1.655 324 2HD ARG 29 2HD ARG 29 -4.517 -13.021 1.162 325 HE ARG 29 HE ARG 29 -5.727 -13.305 3.804 326 1HH1 ARG 29 2HH2 ARG 29 -2.593 -12.928 2.144 327 2HH1 ARG 29 1HH2 ARG 29 -1.683 -13.761 3.350 328 1HH2 ARG 29 2HH1 ARG 29 -4.576 -14.492 5.355 329 2HH2 ARG 29 1HH1 ARG 29 -2.884 -14.707 5.291 330 QB ARG 29 QB ARG 29 -5.850 -9.703 1.207 331 QG ARG 29 QG ARG 29 -4.210 -10.824 2.246 332 QD ARG 29 QD ARG 29 -5.340 -12.849 1.409 333 QH1 ARG 29 QH2 ARG 29 -2.138 -13.344 2.747 334 QH2 ARG 29 QH1 ARG 29 -3.730 -14.600 5.323 335 H TYR 30 H TYR 30 -6.606 -8.377 4.073 336 HA TYR 30 HA TYR 30 -6.140 -10.089 6.441 337 1HB TYR 30 1HB TYR 30 -5.131 -7.303 5.827 338 2HB TYR 30 2HB TYR 30 -4.725 -8.264 7.240 339 HD1 TYR 30 2HD TYR 30 -3.345 -10.400 6.983 340 HD2 TYR 30 1HD TYR 30 -4.013 -7.673 3.709 341 HE1 TYR 30 2HE TYR 30 -1.433 -11.400 5.742 342 HE2 TYR 30 1HE TYR 30 -2.079 -8.610 2.519 343 HH TYR 30 HH TYR 30 -0.116 -9.850 2.844 344 QB TYR 30 QB TYR 30 -4.928 -7.784 6.534 345 QG TYR 30 QD TYR 30 -3.679 -9.036 5.346 346 QZ TYR 30 QE TYR 30 -1.756 -10.005 4.130 347 QR TYR 30 QR TYR 30 -2.717 -9.521 4.738 348 H HIS 31 H HIS 31 -8.834 -8.800 5.322 349 HA HIS 31 HA HIS 31 -9.698 -6.989 7.308 350 1HB HIS 31 1HB HIS 31 -10.934 -8.094 5.124 351 2HB HIS 31 2HB HIS 31 -11.707 -9.000 6.417 352 HD1 HIS 31 1HD HIS 31 -13.293 -7.464 8.129 353 HD2 HIS 31 2HD HIS 31 -11.807 -5.784 4.604 354 HE1 HIS 31 1HE HIS 31 -14.360 -5.283 8.001 355 QB HIS 31 QB HIS 31 -11.320 -8.547 5.771 356 HA PRO 32 HA PRO 32 -9.023 -9.690 10.725 357 1HB PRO 32 1HB PRO 32 -10.794 -8.682 12.613 358 2HB PRO 32 2HB PRO 32 -9.221 -7.952 12.164 359 1HG PRO 32 1HG PRO 32 -11.963 -7.225 11.084 360 2HG PRO 32 2HG PRO 32 -10.709 -6.115 11.712 361 1HD PRO 32 1HD PRO 32 -10.992 -6.548 9.095 362 2HD PRO 32 2HD PRO 32 -9.337 -6.508 9.795 363 QB PRO 32 QB PRO 32 -10.007 -8.317 12.388 364 QG PRO 32 QG PRO 32 -11.336 -6.670 11.398 365 QD PRO 32 QD PRO 32 -10.165 -6.528 9.445 366 H ASP 33 H ASP 33 -12.388 -9.037 9.793 367 HA ASP 33 HA ASP 33 -13.344 -11.508 10.887 368 1HB ASP 33 1HB ASP 33 -15.486 -10.829 10.309 369 2HB ASP 33 2HB ASP 33 -14.644 -9.351 10.761 370 QB ASP 33 QB ASP 33 -15.065 -10.090 10.535 371 H LYS 34 H LYS 34 -11.829 -10.717 7.881 372 HA LYS 34 HA LYS 34 -13.229 -12.860 6.367 373 1HB LYS 34 1HB LYS 34 -12.623 -10.780 5.059 374 2HB LYS 34 2HB LYS 34 -10.990 -10.929 5.662 375 1HG LYS 34 1HG LYS 34 -10.784 -11.641 3.486 376 2HG LYS 34 2HG LYS 34 -10.682 -13.109 4.410 377 1HD LYS 34 1HD LYS 34 -13.127 -12.041 2.928 378 2HD LYS 34 2HD LYS 34 -12.000 -13.245 2.315 379 1HE LYS 34 1HE LYS 34 -13.236 -14.861 3.185 380 2HE LYS 34 2HE LYS 34 -12.794 -14.310 4.793 381 1HZ LYS 34 1HZ LYS 34 -14.789 -12.842 4.720 382 2HZ LYS 34 2HZ LYS 34 -15.143 -13.414 3.226 383 3HZ LYS 34 3HZ LYS 34 -15.171 -14.424 4.520 384 QB LYS 34 QB LYS 34 -11.807 -10.854 5.360 385 QG LYS 34 QG LYS 34 -10.733 -12.375 3.948 386 QD LYS 34 QD LYS 34 -12.564 -12.643 2.622 387 QE LYS 34 QE LYS 34 -13.015 -14.585 3.989 388 QZ LYS 34 QZ LYS 34 -15.035 -13.560 4.156 389 H ASN 35 H ASN 35 -9.985 -11.949 7.603 390 HA ASN 35 HA ASN 35 -8.740 -14.267 6.406 391 1HB ASN 35 1HB ASN 35 -7.828 -11.791 6.926 392 2HB ASN 35 2HB ASN 35 -7.432 -12.483 8.495 393 1HD2 ASN 35 2HD2 ASN 35 -4.274 -12.874 6.873 394 2HD2 ASN 35 1HD2 ASN 35 -5.291 -11.616 7.468 395 QB ASN 35 QB ASN 35 -7.630 -12.137 7.710 396 QD2 ASN 35 QD2 ASN 35 -4.783 -12.245 7.170 397 H LYS 36 H LYS 36 -10.270 -13.679 9.352 398 HA LYS 36 HA LYS 36 -10.217 -14.073 11.426 399 1HB LYS 36 1HB LYS 36 -9.166 -16.682 10.476 400 2HB LYS 36 2HB LYS 36 -9.603 -16.407 12.179 401 1HG LYS 36 1HG LYS 36 -11.936 -15.720 11.192 402 2HG LYS 36 2HG LYS 36 -11.375 -16.533 9.717 403 1HD LYS 36 1HD LYS 36 -10.841 -18.549 11.235 404 2HD LYS 36 2HD LYS 36 -11.726 -17.715 12.508 405 1HE LYS 36 1HE LYS 36 -12.812 -18.646 9.813 406 2HE LYS 36 2HE LYS 36 -13.146 -19.358 11.397 407 1HZ LYS 36 1HZ LYS 36 -14.174 -17.182 11.994 408 2HZ LYS 36 2HZ LYS 36 -14.006 -16.714 10.416 409 3HZ LYS 36 3HZ LYS 36 -14.949 -18.012 10.799 410 QB LYS 36 QB LYS 36 -9.385 -16.544 11.327 411 QG LYS 36 QG LYS 36 -11.655 -16.127 10.454 412 QD LYS 36 QD LYS 36 -11.283 -18.132 11.872 413 QE LYS 36 QE LYS 36 -12.979 -19.002 10.605 414 QZ LYS 36 QZ LYS 36 -14.376 -17.303 11.070 415 H GLU 37 H GLU 37 -7.108 -14.450 9.922 416 HA GLU 37 HA GLU 37 -5.387 -15.123 11.565 417 1HB GLU 37 1HB GLU 37 -4.898 -14.528 9.364 418 2HB GLU 37 2HB GLU 37 -5.246 -12.830 9.656 419 1HG GLU 37 1HG GLU 37 -3.302 -12.566 11.009 420 2HG GLU 37 2HG GLU 37 -3.013 -14.312 11.080 421 QB GLU 37 QB GLU 37 -5.072 -13.679 9.510 422 QG GLU 37 QG GLU 37 -3.158 -13.439 11.044 423 HA PRO 38 HA PRO 38 -5.755 -12.341 15.054 424 1HB PRO 38 1HB PRO 38 -3.930 -13.417 16.757 425 2HB PRO 38 2HB PRO 38 -5.470 -14.224 16.348 426 1HG PRO 38 1HG PRO 38 -2.727 -14.724 15.162 427 2HG PRO 38 2HG PRO 38 -3.914 -15.929 15.757 428 1HD PRO 38 1HD PRO 38 -3.662 -15.245 13.112 429 2HD PRO 38 2HD PRO 38 -5.219 -15.733 13.833 430 QB PRO 38 QB PRO 38 -4.700 -13.820 16.553 431 QG PRO 38 QG PRO 38 -3.320 -15.326 15.460 432 QD PRO 38 QD PRO 38 -4.441 -15.489 13.473 433 H GLY 39 H GLY 39 -4.906 -10.356 15.298 434 1HA GLY 39 1HA GLY 39 -3.326 -8.638 15.410 435 2HA GLY 39 2HA GLY 39 -2.058 -9.720 14.837 436 QA GLY 39 QA GLY 39 -2.692 -9.179 15.124 437 H ALA 40 H ALA 40 -4.656 -10.329 12.749 438 HA ALA 40 HA ALA 40 -3.569 -8.747 10.599 439 1HB ALA 40 3HB ALA 40 -4.747 -10.814 10.147 440 2HB ALA 40 1HB ALA 40 -6.269 -10.117 10.784 441 3HB ALA 40 2HB ALA 40 -5.511 -9.446 9.329 442 QB ALA 40 QB ALA 40 -5.509 -10.126 10.087 443 H GLU 41 H GLU 41 -6.101 -8.251 13.070 444 HA GLU 41 HA GLU 41 -7.365 -6.054 11.825 445 1HB GLU 41 1HB GLU 41 -7.998 -7.498 13.886 446 2HB GLU 41 2HB GLU 41 -7.045 -6.380 14.839 447 1HG GLU 41 1HG GLU 41 -8.526 -4.608 14.508 448 2HG GLU 41 2HG GLU 41 -9.068 -5.191 12.944 449 QB GLU 41 QB GLU 41 -7.522 -6.939 14.363 450 QG GLU 41 QG GLU 41 -8.797 -4.899 13.726 451 H GLU 42 H GLU 42 -4.294 -6.240 13.558 452 HA GLU 42 HA GLU 42 -4.022 -3.294 13.539 453 1HB GLU 42 1HB GLU 42 -3.210 -4.578 15.487 454 2HB GLU 42 2HB GLU 42 -2.073 -5.447 14.434 455 1HG GLU 42 1HG GLU 42 -0.906 -3.355 13.901 456 2HG GLU 42 2HG GLU 42 -2.148 -2.406 14.737 457 QB GLU 42 QB GLU 42 -2.642 -5.013 14.960 458 QG GLU 42 QG GLU 42 -1.527 -2.881 14.319 459 H LYS 43 H LYS 43 -2.756 -6.187 11.871 460 HA LYS 43 HA LYS 43 -0.927 -4.897 10.220 461 1HB LYS 43 1HB LYS 43 -1.936 -7.449 10.407 462 2HB LYS 43 2HB LYS 43 -2.507 -7.003 8.809 463 1HG LYS 43 1HG LYS 43 0.366 -6.628 9.734 464 2HG LYS 43 2HG LYS 43 -0.186 -8.122 8.980 465 1HD LYS 43 1HD LYS 43 -0.236 -7.232 6.866 466 2HD LYS 43 2HD LYS 43 -0.790 -5.664 7.406 467 1HE LYS 43 1HE LYS 43 1.417 -5.363 6.536 468 2HE LYS 43 2HE LYS 43 1.479 -5.129 8.289 469 1HZ LYS 43 1HZ LYS 43 2.333 -7.411 8.471 470 2HZ LYS 43 2HZ LYS 43 2.291 -7.568 6.829 471 3HZ LYS 43 3HZ LYS 43 3.290 -6.479 7.528 472 QB LYS 43 QB LYS 43 -2.222 -7.226 9.608 473 QG LYS 43 QG LYS 43 0.090 -7.375 9.357 474 QD LYS 43 QD LYS 43 -0.513 -6.448 7.136 475 QE LYS 43 QE LYS 43 1.448 -5.246 7.412 476 QZ LYS 43 QZ LYS 43 2.638 -7.153 7.609 477 H PHE 44 H PHE 44 -4.379 -5.154 9.957 478 HA PHE 44 HA PHE 44 -4.867 -4.064 7.429 479 1HB PHE 44 1HB PHE 44 -6.510 -5.078 9.050 480 2HB PHE 44 2HB PHE 44 -6.491 -3.579 9.953 481 HD1 PHE 44 2HD PHE 44 -7.037 -1.318 8.291 482 HD2 PHE 44 1HD PHE 44 -8.227 -5.423 7.653 483 HE1 PHE 44 2HE PHE 44 -8.795 -0.604 6.687 484 HE2 PHE 44 1HE PHE 44 -10.043 -4.661 6.166 485 1HZ PHE 44 HZ PHE 44 -10.318 -2.238 5.669 486 QB PHE 44 QB PHE 44 -6.500 -4.329 9.502 487 QG PHE 44 QD PHE 44 -7.632 -3.370 7.972 488 QZ PHE 44 QE PHE 44 -9.419 -2.632 6.427 489 QZ PHE 44 QR PHE 44 -8.884 -2.849 6.893 490 H LYS 45 H LYS 45 -4.250 -2.322 10.548 491 HA LYS 45 HA LYS 45 -4.368 0.239 9.252 492 1HB LYS 45 1HB LYS 45 -4.286 1.212 11.198 493 2HB LYS 45 2HB LYS 45 -4.803 -0.372 11.753 494 1HG LYS 45 1HG LYS 45 -2.203 -0.743 12.187 495 2HG LYS 45 2HG LYS 45 -2.112 1.011 12.051 496 1HD LYS 45 1HD LYS 45 -3.879 -0.578 13.960 497 2HD LYS 45 2HD LYS 45 -2.394 0.279 14.406 498 1HE LYS 45 1HE LYS 45 -3.378 2.427 14.047 499 2HE LYS 45 2HE LYS 45 -4.707 1.754 13.094 500 1HZ LYS 45 3HZ LYS 45 -5.546 0.688 15.077 501 2HZ LYS 45 1HZ LYS 45 -4.385 1.446 15.999 502 3HZ LYS 45 2HZ LYS 45 -5.547 2.297 15.153 503 QB LYS 45 QB LYS 45 -4.544 0.420 11.475 504 QG LYS 45 QG LYS 45 -2.158 0.134 12.119 505 QD LYS 45 QD LYS 45 -3.136 -0.150 14.183 506 QE LYS 45 QE LYS 45 -4.042 2.090 13.570 507 QZ LYS 45 QZ LYS 45 -5.159 1.477 15.410 508 H GLU 46 H GLU 46 -1.761 -2.131 9.618 509 HA GLU 46 HA GLU 46 0.360 -0.302 9.020 510 1HB GLU 46 1HB GLU 46 0.010 -2.974 9.703 511 2HB GLU 46 2HB GLU 46 0.702 -3.076 8.091 512 1HG GLU 46 1HG GLU 46 1.850 -1.368 10.332 513 2HG GLU 46 2HG GLU 46 2.165 -3.087 10.197 514 QB GLU 46 QB GLU 46 0.356 -3.025 8.897 515 QG GLU 46 QG GLU 46 2.008 -2.227 10.265 516 H ILE 47 H ILE 47 -1.797 -2.431 7.136 517 HA ILE 47 HA ILE 47 -0.992 -1.691 4.505 518 HB ILE 47 HB ILE 47 -3.663 -2.612 5.592 519 1HG1 ILE 47 1HG1 ILE 47 -1.537 -4.086 3.976 520 2HG1 ILE 47 2HG1 ILE 47 -1.649 -4.158 5.728 521 1HG2 ILE 47 1HG2 ILE 47 -3.978 -1.350 3.441 522 2HG2 ILE 47 2HG2 ILE 47 -2.858 -2.499 2.670 523 3HG2 ILE 47 3HG2 ILE 47 -4.416 -3.038 3.345 524 1HD1 ILE 47 3HD1 ILE 47 -4.023 -4.965 5.514 525 2HD1 ILE 47 1HD1 ILE 47 -3.729 -5.143 3.767 526 3HD1 ILE 47 2HD1 ILE 47 -2.746 -6.059 4.934 527 QG1 ILE 47 QG1 ILE 47 -1.593 -4.122 4.852 528 QG2 ILE 47 QG2 ILE 47 -3.751 -2.295 3.152 529 QD1 ILE 47 QD1 ILE 47 -3.500 -5.389 4.738 530 H ALA 48 H ALA 48 -3.169 -0.105 6.911 531 HA ALA 48 HA ALA 48 -4.238 1.852 5.217 532 1HB ALA 48 1HB ALA 48 -5.092 1.322 7.473 533 2HB ALA 48 2HB ALA 48 -3.751 2.291 8.153 534 3HB ALA 48 3HB ALA 48 -4.937 3.036 7.084 535 QB ALA 48 QB ALA 48 -4.593 2.216 7.570 536 H GLU 49 H GLU 49 -1.099 1.731 6.797 537 HA GLU 49 HA GLU 49 -0.389 4.498 6.294 538 1HB GLU 49 1HB GLU 49 0.756 2.293 7.654 539 2HB GLU 49 2HB GLU 49 1.877 2.614 6.352 540 1HG GLU 49 1HG GLU 49 0.968 4.475 8.571 541 2HG GLU 49 2HG GLU 49 2.587 3.838 8.291 542 QB GLU 49 QB GLU 49 1.316 2.454 7.003 543 QG GLU 49 QG GLU 49 1.777 4.157 8.431 544 H ALA 50 H ALA 50 0.020 1.410 4.552 545 HA ALA 50 HA ALA 50 1.384 2.635 2.276 546 1HB ALA 50 2HB ALA 50 1.583 0.176 2.925 547 2HB ALA 50 3HB ALA 50 -0.101 -0.033 2.421 548 3HB ALA 50 1HB ALA 50 1.115 0.453 1.235 549 QB ALA 50 QB ALA 50 0.866 0.199 2.193 550 H TYR 51 H TYR 51 -1.892 2.383 3.328 551 HA TYR 51 HA TYR 51 -3.193 2.429 0.793 552 1HB TYR 51 1HB TYR 51 -3.852 1.788 3.279 553 2HB TYR 51 2HB TYR 51 -4.463 3.426 3.350 554 HD1 TYR 51 1HD TYR 51 -4.567 0.175 1.584 555 HD2 TYR 51 2HD TYR 51 -6.779 3.676 2.776 556 HE1 TYR 51 1HE TYR 51 -6.674 -1.039 1.149 557 HE2 TYR 51 2HE TYR 51 -8.887 2.487 2.365 558 HH TYR 51 HH TYR 51 -9.041 -0.972 1.566 559 QB TYR 51 QB TYR 51 -4.157 2.607 3.314 560 QG TYR 51 QD TYR 51 -5.673 1.925 2.180 561 QZ TYR 51 QE TYR 51 -7.780 0.724 1.757 562 QR TYR 51 QR TYR 51 -6.727 1.325 1.968 563 H ASP 52 H ASP 52 -2.336 4.869 3.258 564 HA ASP 52 HA ASP 52 -3.226 7.265 1.965 565 1HB ASP 52 1HB ASP 52 -2.415 7.212 4.292 566 2HB ASP 52 2HB ASP 52 -0.789 6.815 3.737 567 QB ASP 52 QB ASP 52 -1.602 7.014 4.014 568 H VAL 53 H VAL 53 -0.082 5.553 1.885 569 HA VAL 53 HA VAL 53 1.204 7.260 0.063 570 HB VAL 53 HB VAL 53 1.586 4.267 0.520 571 1HG1 VAL 53 3HG1 VAL 53 3.492 6.272 -0.749 572 2HG1 VAL 53 1HG1 VAL 53 3.924 4.614 -0.275 573 3HG1 VAL 53 2HG1 VAL 53 2.730 4.877 -1.539 574 1HG2 VAL 53 2HG2 VAL 53 2.001 6.236 2.397 575 2HG2 VAL 53 3HG2 VAL 53 2.706 4.620 2.349 576 3HG2 VAL 53 1HG2 VAL 53 3.623 5.967 1.697 577 QG1 VAL 53 QG1 VAL 53 3.382 5.255 -0.854 578 QG2 VAL 53 QG2 VAL 53 2.777 5.607 2.148 579 QQG VAL 53 QQG VAL 53 3.079 5.431 0.647 580 H LEU 54 H LEU 54 -0.299 4.014 -0.658 581 HA LEU 54 HA LEU 54 -0.101 4.491 -3.502 582 1HB LEU 54 1HB LEU 54 -1.009 2.151 -1.803 583 2HB LEU 54 2HB LEU 54 -1.180 2.257 -3.527 584 HG LEU 54 HG LEU 54 1.343 2.800 -3.645 585 1HD1 LEU 54 1HD1 LEU 54 1.731 2.884 -1.168 586 2HD1 LEU 54 2HD1 LEU 54 1.286 1.184 -1.061 587 3HD1 LEU 54 3HD1 LEU 54 2.722 1.682 -1.990 588 1HD2 LEU 54 3HD2 LEU 54 0.111 0.758 -4.473 589 2HD2 LEU 54 1HD2 LEU 54 1.812 0.561 -4.097 590 3HD2 LEU 54 2HD2 LEU 54 0.584 -0.036 -2.957 591 QB LEU 54 QB LEU 54 -1.094 2.204 -2.665 592 QD1 LEU 54 QD1 LEU 54 1.913 1.917 -1.406 593 QD2 LEU 54 QD2 LEU 54 0.836 0.427 -3.842 594 QQD LEU 54 QQD LEU 54 1.374 1.172 -2.624 595 H SER 55 H SER 55 -1.519 6.445 -2.421 596 HA SER 55 HA SER 55 -3.550 6.258 -4.413 597 1HB SER 55 1HB SER 55 -5.407 7.105 -3.172 598 2HB SER 55 2HB SER 55 -4.910 5.551 -2.549 599 HG SER 55 HG SER 55 -3.820 6.633 -0.830 600 QB SER 55 QB SER 55 -5.158 6.328 -2.860 601 H ASP 56 H ASP 56 -1.935 8.323 -1.828 602 HA ASP 56 HA ASP 56 -2.461 10.674 -3.460 603 1HB ASP 56 1HB ASP 56 -2.457 10.875 -1.069 604 2HB ASP 56 2HB ASP 56 -0.791 10.282 -0.965 605 QB ASP 56 QB ASP 56 -1.624 10.578 -1.017 606 HA PRO 57 HA PRO 57 1.167 9.735 -5.868 607 1HB PRO 57 1HB PRO 57 1.257 11.876 -7.573 608 2HB PRO 57 2HB PRO 57 0.021 10.587 -7.677 609 1HG PRO 57 1HG PRO 57 -0.216 13.308 -6.360 610 2HG PRO 57 2HG PRO 57 -1.373 12.514 -7.473 611 1HD PRO 57 1HD PRO 57 -1.670 12.438 -4.751 612 2HD PRO 57 2HD PRO 57 -2.145 11.062 -5.792 613 QB PRO 57 QB PRO 57 0.639 11.231 -7.625 614 QG PRO 57 QG PRO 57 -0.795 12.911 -6.916 615 QD PRO 57 QD PRO 57 -1.908 11.750 -5.272 616 H ARG 58 H ARG 58 0.976 12.611 -3.838 617 HA ARG 58 HA ARG 58 3.726 13.490 -4.501 618 1HB ARG 58 1HB ARG 58 1.879 14.630 -2.389 619 2HB ARG 58 2HB ARG 58 3.311 15.350 -3.092 620 1HG ARG 58 1HG ARG 58 1.948 16.423 -4.512 621 2HG ARG 58 2HG ARG 58 1.812 14.908 -5.376 622 1HD ARG 58 1HD ARG 58 -0.412 15.381 -5.043 623 2HD ARG 58 2HD ARG 58 -0.142 14.419 -3.601 624 HE ARG 58 HE ARG 58 -0.392 17.368 -3.836 625 1HH1 ARG 58 2HH2 ARG 58 -0.285 14.582 -1.615 626 2HH1 ARG 58 1HH2 ARG 58 -0.503 15.541 -0.204 627 1HH2 ARG 58 2HH1 ARG 58 -0.819 18.585 -2.015 628 2HH2 ARG 58 1HH1 ARG 58 -0.785 17.884 -0.421 629 QB ARG 58 QB ARG 58 2.595 14.990 -2.740 630 QG ARG 58 QG ARG 58 1.880 15.666 -4.944 631 QD ARG 58 QD ARG 58 -0.277 14.900 -4.322 632 QH1 ARG 58 QH2 ARG 58 -0.394 15.061 -0.910 633 QH2 ARG 58 QH1 ARG 58 -0.802 18.235 -1.218 634 H LYS 59 H LYS 59 1.938 11.682 -2.093 635 HA LYS 59 HA LYS 59 4.058 11.456 -0.157 636 1HB LYS 59 1HB LYS 59 1.471 10.908 -0.089 637 2HB LYS 59 2HB LYS 59 1.936 9.341 -0.726 638 1HG LYS 59 1HG LYS 59 2.736 10.626 1.905 639 2HG LYS 59 2HG LYS 59 1.632 9.288 1.648 640 1HD LYS 59 1HD LYS 59 3.356 8.077 2.337 641 2HD LYS 59 2HD LYS 59 3.829 8.141 0.635 642 1HE LYS 59 1HE LYS 59 5.790 8.586 1.865 643 2HE LYS 59 2HE LYS 59 5.272 10.194 1.338 644 1HZ LYS 59 3HZ LYS 59 4.597 9.025 3.987 645 2HZ LYS 59 1HZ LYS 59 5.903 9.992 3.724 646 3HZ LYS 59 2HZ LYS 59 4.390 10.587 3.511 647 QB LYS 59 QB LYS 59 1.704 10.124 -0.407 648 QG LYS 59 QG LYS 59 2.184 9.957 1.777 649 QD LYS 59 QD LYS 59 3.593 8.109 1.486 650 QE LYS 59 QE LYS 59 5.531 9.390 1.601 651 QZ LYS 59 QZ LYS 59 4.963 9.868 3.741 652 H ARG 60 H ARG 60 2.949 9.475 -2.950 653 HA ARG 60 HA ARG 60 5.114 7.580 -2.791 654 1HB ARG 60 1HB ARG 60 3.033 8.336 -4.854 655 2HB ARG 60 2HB ARG 60 4.350 7.218 -5.298 656 1HG ARG 60 1HG ARG 60 3.839 5.779 -3.412 657 2HG ARG 60 2HG ARG 60 2.570 6.884 -2.873 658 1HD ARG 60 1HD ARG 60 2.637 5.418 -5.506 659 2HD ARG 60 2HD ARG 60 1.775 4.872 -4.057 660 HE ARG 60 HE ARG 60 0.698 7.271 -4.316 661 1HH1 ARG 60 2HH2 ARG 60 1.209 4.848 -6.940 662 2HH1 ARG 60 1HH2 ARG 60 -0.229 5.303 -7.800 663 1HH2 ARG 60 2HH1 ARG 60 -1.169 7.895 -5.573 664 2HH2 ARG 60 1HH1 ARG 60 -1.625 6.980 -6.945 665 QB ARG 60 QB ARG 60 3.691 7.777 -5.076 666 QG ARG 60 QG ARG 60 3.205 6.331 -3.143 667 QD ARG 60 QD ARG 60 2.206 5.145 -4.782 668 QH1 ARG 60 QH2 ARG 60 0.490 5.076 -7.370 669 QH2 ARG 60 QH1 ARG 60 -1.397 7.437 -6.259 670 H GLU 61 H GLU 61 4.992 10.777 -4.191 671 HA GLU 61 HA GLU 61 6.776 10.765 -6.202 672 1HB GLU 61 1HB GLU 61 5.619 12.718 -5.168 673 2HB GLU 61 2HB GLU 61 6.799 12.703 -3.857 674 1HG GLU 61 1HG GLU 61 8.610 13.183 -5.494 675 2HG GLU 61 2HG GLU 61 7.406 13.214 -6.798 676 QB GLU 61 QB GLU 61 6.209 12.710 -4.512 677 QG GLU 61 QG GLU 61 8.008 13.198 -6.146 678 H ILE 62 H ILE 62 7.672 10.495 -2.761 679 HA ILE 62 HA ILE 62 10.479 10.736 -3.340 680 HB ILE 62 HB ILE 62 9.035 9.661 -0.865 681 1HG1 ILE 62 1HG1 ILE 62 10.011 12.418 -1.715 682 2HG1 ILE 62 2HG1 ILE 62 8.383 11.926 -1.283 683 1HG2 ILE 62 1HG2 ILE 62 11.942 10.437 -1.273 684 2HG2 ILE 62 2HG2 ILE 62 11.204 10.099 0.318 685 3HG2 ILE 62 3HG2 ILE 62 11.327 8.825 -0.874 686 1HD1 ILE 62 1HD1 ILE 62 9.205 11.537 1.077 687 2HD1 ILE 62 2HD1 ILE 62 10.736 12.311 0.588 688 3HD1 ILE 62 3HD1 ILE 62 9.224 13.227 0.515 689 QG1 ILE 62 QG1 ILE 62 9.197 12.172 -1.499 690 QG2 ILE 62 QG2 ILE 62 11.491 9.787 -0.610 691 QD1 ILE 62 QD1 ILE 62 9.722 12.358 0.727 692 H PHE 63 H PHE 63 8.308 7.934 -3.170 693 HA PHE 63 HA PHE 63 10.508 5.989 -3.297 694 1HB PHE 63 1HB PHE 63 8.172 5.603 -2.293 695 2HB PHE 63 2HB PHE 63 7.522 5.689 -3.914 696 HD1 PHE 63 1HD PHE 63 10.282 3.886 -2.065 697 HD2 PHE 63 2HD PHE 63 7.074 3.611 -4.940 698 HE1 PHE 63 1HE PHE 63 10.421 1.428 -1.983 699 HE2 PHE 63 2HE PHE 63 7.244 1.139 -4.863 700 1HZ PHE 63 HZ PHE 63 8.808 0.052 -3.284 701 QB PHE 63 QB PHE 63 7.847 5.646 -3.103 702 QG PHE 63 QD PHE 63 8.678 3.748 -3.502 703 QZ PHE 63 QE PHE 63 8.833 1.283 -3.423 704 QZ PHE 63 QR PHE 63 8.766 2.023 -3.427 705 H ASP 64 H ASP 64 8.272 7.674 -5.491 706 HA ASP 64 HA ASP 64 8.876 6.137 -7.823 707 1HB ASP 64 1HB ASP 64 6.916 7.845 -7.172 708 2HB ASP 64 2HB ASP 64 7.946 9.010 -7.996 709 QB ASP 64 QB ASP 64 7.431 8.427 -7.584 710 H ARG 65 H ARG 65 10.098 9.306 -6.607 711 HA ARG 65 HA ARG 65 11.924 9.736 -8.732 712 1HB ARG 65 1HB ARG 65 12.524 11.605 -7.563 713 2HB ARG 65 2HB ARG 65 10.862 11.398 -7.040 714 1HG ARG 65 1HG ARG 65 11.864 10.316 -4.951 715 2HG ARG 65 2HG ARG 65 13.424 10.936 -5.519 716 1HD ARG 65 1HD ARG 65 12.523 13.225 -5.510 717 2HD ARG 65 2HD ARG 65 10.964 12.606 -4.925 718 HE ARG 65 HE ARG 65 13.189 11.762 -3.283 719 1HH1 ARG 65 2HH2 ARG 65 11.203 14.610 -3.941 720 2HH1 ARG 65 1HH2 ARG 65 11.396 15.315 -2.375 721 1HH2 ARG 65 2HH1 ARG 65 13.265 12.555 -1.063 722 2HH2 ARG 65 1HH1 ARG 65 12.678 14.138 -0.735 723 QB ARG 65 QB ARG 65 11.693 11.501 -7.302 724 QG ARG 65 QG ARG 65 12.644 10.626 -5.235 725 QD ARG 65 QD ARG 65 11.743 12.916 -5.217 726 QH1 ARG 65 QH2 ARG 65 11.299 14.962 -3.158 727 QH2 ARG 65 QH1 ARG 65 12.971 13.346 -0.899 728 H TYR 66 H TYR 66 12.293 8.324 -5.504 729 HA TYR 66 HA TYR 66 15.064 7.445 -6.219 730 1HB TYR 66 1HB TYR 66 13.883 7.888 -3.451 731 2HB TYR 66 2HB TYR 66 15.514 7.340 -3.822 732 HD1 TYR 66 1HD TYR 66 16.093 9.356 -6.155 733 HD2 TYR 66 2HD TYR 66 14.498 9.804 -2.158 734 HE1 TYR 66 1HE TYR 66 16.914 11.651 -6.094 735 HE2 TYR 66 2HE TYR 66 15.414 12.095 -2.059 736 HH TYR 66 HH TYR 66 17.029 13.628 -4.852 737 QB TYR 66 QB TYR 66 14.699 7.614 -3.636 738 QG TYR 66 QD TYR 66 15.295 9.580 -4.157 739 QZ TYR 66 QE TYR 66 16.164 11.873 -4.076 740 QR TYR 66 QR TYR 66 15.730 10.727 -4.116 741 H GLY 67 H GLY 67 13.158 6.129 -3.571 742 1HA GLY 67 1HA GLY 67 11.919 3.925 -4.053 743 2HA GLY 67 2HA GLY 67 13.466 3.449 -4.775 744 QA GLY 67 QA GLY 67 12.692 3.687 -4.414 745 H GLU 68 H GLU 68 14.766 2.309 -3.317 746 HA GLU 68 HA GLU 68 14.450 2.418 -0.490 747 1HB GLU 68 1HB GLU 68 16.445 1.193 -2.449 748 2HB GLU 68 2HB GLU 68 16.651 1.107 -0.706 749 1HG GLU 68 1HG GLU 68 15.650 -0.949 -1.416 750 2HG GLU 68 2HG GLU 68 14.456 -0.043 -0.484 751 QB GLU 68 QB GLU 68 16.548 1.150 -1.577 752 QG GLU 68 QG GLU 68 15.053 -0.496 -0.950 753 H GLU 69 H GLU 69 16.252 2.934 0.770 754 HA GLU 69 HA GLU 69 17.288 4.476 1.979 755 1HB GLU 69 1HB GLU 69 18.995 4.008 0.176 756 2HB GLU 69 2HB GLU 69 18.503 5.511 -0.585 757 1HG GLU 69 1HG GLU 69 19.621 5.152 2.232 758 2HG GLU 69 2HG GLU 69 20.554 5.627 0.823 759 QB GLU 69 QB GLU 69 18.749 4.760 -0.204 760 QG GLU 69 QG GLU 69 20.088 5.389 1.528 761 H GLY 70 H GLY 70 16.164 6.002 -1.018 762 1HA GLY 70 1HA GLY 70 15.340 8.544 -0.367 763 2HA GLY 70 2HA GLY 70 14.499 7.454 -1.452 764 QA GLY 70 QA GLY 70 14.919 7.999 -0.909 765 H LEU 71 H LEU 71 13.318 5.601 -0.062 766 HA LEU 71 HA LEU 71 11.111 7.009 1.048 767 1HB LEU 71 1HB LEU 71 11.034 4.909 -0.304 768 2HB LEU 71 2HB LEU 71 11.723 4.026 1.049 769 HG LEU 71 HG LEU 71 9.696 4.580 2.411 770 1HD1 LEU 71 2HD1 LEU 71 8.891 5.984 -0.170 771 2HD1 LEU 71 3HD1 LEU 71 7.695 5.477 1.015 772 3HD1 LEU 71 1HD1 LEU 71 8.922 6.661 1.467 773 1HD2 LEU 71 1HD2 LEU 71 9.926 2.517 0.843 774 2HD2 LEU 71 2HD2 LEU 71 8.351 2.914 1.507 775 3HD2 LEU 71 3HD2 LEU 71 8.735 3.342 -0.171 776 QB LEU 71 QB LEU 71 11.378 4.467 0.373 777 QD1 LEU 71 QD1 LEU 71 8.503 6.041 0.771 778 QD2 LEU 71 QD2 LEU 71 9.004 2.924 0.726 779 QQD LEU 71 QQD LEU 71 8.753 4.482 0.748 780 H LYS 72 H LYS 72 10.158 6.802 3.102 781 HA LYS 72 HA LYS 72 11.984 7.225 5.240 782 1HB LYS 72 1HB LYS 72 9.800 8.478 4.751 783 2HB LYS 72 2HB LYS 72 8.934 7.064 5.338 784 1HG LYS 72 1HG LYS 72 9.040 8.421 7.247 785 2HG LYS 72 2HG LYS 72 10.392 7.325 7.499 786 1HD LYS 72 1HD LYS 72 11.377 9.383 7.972 787 2HD LYS 72 2HD LYS 72 11.830 9.173 6.295 788 1HE LYS 72 1HE LYS 72 11.067 11.392 6.411 789 2HE LYS 72 2HE LYS 72 9.728 10.515 5.671 790 1HZ LYS 72 1HZ LYS 72 9.375 10.502 8.458 791 2HZ LYS 72 2HZ LYS 72 9.724 12.034 8.030 792 3HZ LYS 72 3HZ LYS 72 8.450 11.255 7.329 793 QB LYS 72 QB LYS 72 9.367 7.771 5.044 794 QG LYS 72 QG LYS 72 9.716 7.873 7.373 795 QD LYS 72 QD LYS 72 11.603 9.278 7.133 796 QE LYS 72 QE LYS 72 10.397 10.953 6.041 797 QZ LYS 72 QZ LYS 72 9.183 11.263 7.939 798 H GLY 73 H GLY 73 12.955 5.152 5.220 799 1HA GLY 73 1HA GLY 73 13.171 3.721 7.312 800 2HA GLY 73 2HA GLY 73 11.513 3.209 7.001 801 QA GLY 73 QA GLY 73 12.342 3.465 7.157 802 H SER 74 H SER 74 13.830 3.560 4.327 803 HA SER 74 HA SER 74 13.689 0.607 3.940 804 1HB SER 74 1HB SER 74 13.399 2.867 1.935 805 2HB SER 74 2HB SER 74 13.615 1.160 1.497 806 HG SER 74 HG SER 74 11.488 2.146 3.142 807 QB SER 74 QB SER 74 13.507 2.014 1.716 808 H GLY 75 H GLY 75 15.748 1.249 5.381 809 1HA GLY 75 1HA GLY 75 18.117 1.436 3.565 810 2HA GLY 75 2HA GLY 75 18.119 1.666 5.315 811 QA GLY 75 QA GLY 75 18.118 1.551 4.440 812 H CYS 76 H CYS 76 18.262 -0.072 6.628 813 HA CYS 76 HA CYS 76 18.878 -2.101 7.390 814 1HB CYS 76 1HB CYS 76 17.240 -3.195 5.644 815 2HB CYS 76 2HB CYS 76 18.723 -3.428 4.688 816 HG CYS 76 HG CYS 76 20.071 -4.565 6.727 817 QB CYS 76 QB CYS 76 17.981 -3.311 5.166 No H/Q in entry = 817 Start of MODEL 16 1 H MET 0 H MET 0 10.429 5.323 8.348 2 HA MET 0 HA MET 0 9.465 2.618 8.977 3 1HB MET 0 1HB MET 0 7.304 3.453 9.552 4 2HB MET 0 2HB MET 0 8.518 4.215 10.563 5 1HG MET 0 1HG MET 0 7.260 5.514 8.110 6 2HG MET 0 2HG MET 0 6.699 5.730 9.763 7 1HE MET 0 1HE MET 0 7.317 8.014 7.757 8 2HE MET 0 2HE MET 0 6.763 8.351 9.418 9 3HE MET 0 3HE MET 0 8.185 9.188 8.763 10 QB MET 0 QB MET 0 7.911 3.834 10.058 11 QG MET 0 QG MET 0 6.979 5.622 8.936 12 QE MET 0 QE MET 0 7.421 8.518 8.646 13 H GLY 1 H GLY 1 10.143 4.572 6.305 14 1HA GLY 1 1HA GLY 1 8.022 4.004 4.571 15 2HA GLY 1 2HA GLY 1 9.669 4.468 4.170 16 QA GLY 1 QA GLY 1 8.846 4.236 4.371 17 H LYS 2 H LYS 2 8.941 1.483 5.955 18 HA LYS 2 HA LYS 2 10.485 -0.142 4.205 19 1HB LYS 2 1HB LYS 2 10.105 -0.544 6.575 20 2HB LYS 2 2HB LYS 2 8.412 -0.862 6.319 21 1HG LYS 2 1HG LYS 2 10.587 -2.513 4.954 22 2HG LYS 2 2HG LYS 2 10.188 -2.787 6.643 23 1HD LYS 2 1HD LYS 2 8.267 -3.122 4.312 24 2HD LYS 2 2HD LYS 2 9.043 -4.397 5.250 25 1HE LYS 2 1HE LYS 2 7.903 -3.724 7.286 26 2HE LYS 2 2HE LYS 2 7.131 -2.375 6.436 27 1HZ LYS 2 1HZ LYS 2 6.029 -3.948 5.012 28 2HZ LYS 2 2HZ LYS 2 6.686 -5.225 5.830 29 3HZ LYS 2 3HZ LYS 2 5.646 -4.196 6.594 30 QB LYS 2 QB LYS 2 9.259 -0.703 6.447 31 QG LYS 2 QG LYS 2 10.387 -2.650 5.798 32 QD LYS 2 QD LYS 2 8.655 -3.760 4.781 33 QE LYS 2 QE LYS 2 7.517 -3.049 6.861 34 QZ LYS 2 QZ LYS 2 6.120 -4.456 5.812 35 H ASP 3 H ASP 3 9.847 0.111 2.140 36 HA ASP 3 HA ASP 3 8.826 -0.376 0.178 37 1HB ASP 3 1HB ASP 3 9.969 -2.273 0.555 38 2HB ASP 3 2HB ASP 3 8.852 -2.880 1.775 39 QB ASP 3 QB ASP 3 9.410 -2.576 1.165 40 H TYR 4 H TYR 4 7.211 1.189 0.534 41 HA TYR 4 HA TYR 4 4.450 0.301 0.891 42 1HB TYR 4 1HB TYR 4 5.607 2.948 -0.044 43 2HB TYR 4 2HB TYR 4 3.929 2.635 0.385 44 HD1 TYR 4 1HD TYR 4 4.958 0.813 2.969 45 HD2 TYR 4 2HD TYR 4 5.575 4.840 1.519 46 HE1 TYR 4 1HE TYR 4 5.229 1.594 5.269 47 HE2 TYR 4 2HE TYR 4 5.737 5.639 3.872 48 HH TYR 4 HH TYR 4 6.102 3.468 6.537 49 QB TYR 4 QB TYR 4 4.768 2.791 0.171 50 QG TYR 4 QD TYR 4 5.267 2.826 2.244 51 QZ TYR 4 QE TYR 4 5.483 3.617 4.571 52 QR TYR 4 QR TYR 4 5.375 3.222 3.407 53 H TYR 5 H TYR 5 5.774 -1.260 -1.158 54 HA TYR 5 HA TYR 5 3.743 -0.805 -3.229 55 1HB TYR 5 1HB TYR 5 6.632 -1.785 -3.363 56 2HB TYR 5 2HB TYR 5 5.422 -2.315 -4.471 57 HD1 TYR 5 2HD TYR 5 4.015 -0.304 -5.652 58 HD2 TYR 5 1HD TYR 5 7.962 0.043 -3.941 59 HE1 TYR 5 2HE TYR 5 4.421 1.718 -7.012 60 HE2 TYR 5 1HE TYR 5 8.392 2.039 -5.340 61 HH TYR 5 HH TYR 5 7.546 3.136 -7.427 62 QB TYR 5 QB TYR 5 6.027 -2.050 -3.917 63 QG TYR 5 QD TYR 5 5.989 -0.131 -4.796 64 QZ TYR 5 QE TYR 5 6.406 1.879 -6.176 65 QR TYR 5 QR TYR 5 6.198 0.874 -5.486 66 H GLN 6 H GLN 6 6.063 -3.297 -1.862 67 HA GLN 6 HA GLN 6 4.108 -5.326 -2.407 68 1HB GLN 6 1HB GLN 6 6.728 -5.383 -2.442 69 2HB GLN 6 2HB GLN 6 6.544 -5.872 -0.744 70 1HG GLN 6 1HG GLN 6 5.388 -7.846 -1.268 71 2HG GLN 6 2HG GLN 6 5.037 -7.307 -2.918 72 1HE2 GLN 6 2HE2 GLN 6 8.821 -8.810 -2.166 73 2HE2 GLN 6 1HE2 GLN 6 7.913 -8.237 -0.785 74 QB GLN 6 QB GLN 6 6.636 -5.628 -1.593 75 QG GLN 6 QG GLN 6 5.213 -7.577 -2.093 76 QE2 GLN 6 QE2 GLN 6 8.367 -8.523 -1.476 77 H THR 7 H THR 7 4.883 -3.520 0.547 78 HA THR 7 HA THR 7 3.445 -5.337 2.294 79 HB THR 7 HB THR 7 4.106 -2.387 2.430 80 HG1 THR 7 1HG THR 7 5.141 -4.849 3.389 81 1HG2 THR 7 2HG2 THR 7 3.045 -4.142 4.699 82 2HG2 THR 7 3HG2 THR 7 3.757 -2.521 4.893 83 3HG2 THR 7 1HG2 THR 7 2.247 -2.711 4.004 84 QG2 THR 7 QG2 THR 7 3.016 -3.125 4.532 85 H LEU 8 H LEU 8 2.384 -3.142 -0.135 86 HA LEU 8 HA LEU 8 -0.434 -3.708 0.647 87 1HB LEU 8 1HB LEU 8 0.456 -1.354 0.206 88 2HB LEU 8 2HB LEU 8 0.482 -1.769 -1.487 89 HG LEU 8 HG LEU 8 -1.419 -0.394 -0.643 90 1HD1 LEU 8 1HD1 LEU 8 -1.575 -1.961 -2.711 91 2HD1 LEU 8 2HD1 LEU 8 -2.775 -2.808 -1.740 92 3HD1 LEU 8 3HD1 LEU 8 -2.978 -1.087 -2.108 93 1HD2 LEU 8 2HD2 LEU 8 -1.827 -1.414 1.513 94 2HD2 LEU 8 3HD2 LEU 8 -3.299 -1.367 0.520 95 3HD2 LEU 8 1HD2 LEU 8 -2.434 -2.894 0.730 96 QB LEU 8 QB LEU 8 0.469 -1.562 -0.641 97 QD1 LEU 8 QD1 LEU 8 -2.443 -1.952 -2.186 98 QD2 LEU 8 QD2 LEU 8 -2.520 -1.892 0.921 99 QQD LEU 8 QQD LEU 8 -2.481 -1.922 -0.633 100 H GLY 9 H GLY 9 1.893 -5.334 -0.859 101 1HA GLY 9 1HA GLY 9 1.692 -7.313 -1.983 102 2HA GLY 9 2HA GLY 9 -0.035 -7.010 -2.189 103 QA GLY 9 QA GLY 9 0.829 -7.161 -2.086 104 H LEU 10 H LEU 10 2.335 -4.655 -3.358 105 HA LEU 10 HA LEU 10 1.461 -5.271 -6.140 106 1HB LEU 10 1HB LEU 10 2.402 -2.778 -4.689 107 2HB LEU 10 2HB LEU 10 2.269 -2.832 -6.432 108 HG LEU 10 HG LEU 10 -0.138 -3.742 -4.835 109 1HD1 LEU 10 1HD1 LEU 10 0.749 -0.879 -5.234 110 2HD1 LEU 10 2HD1 LEU 10 -0.905 -1.377 -4.769 111 3HD1 LEU 10 3HD1 LEU 10 0.475 -1.731 -3.708 112 1HD2 LEU 10 3HD2 LEU 10 0.001 -3.879 -7.353 113 2HD2 LEU 10 1HD2 LEU 10 -1.321 -2.875 -6.758 114 3HD2 LEU 10 2HD2 LEU 10 0.138 -2.112 -7.383 115 QB LEU 10 QB LEU 10 2.335 -2.805 -5.560 116 QD1 LEU 10 QD1 LEU 10 0.106 -1.329 -4.571 117 QD2 LEU 10 QD2 LEU 10 -0.394 -2.955 -7.164 118 QQD LEU 10 QQD LEU 10 -0.144 -2.142 -5.868 119 H ALA 11 H ALA 11 2.989 -4.664 -7.810 120 HA ALA 11 HA ALA 11 5.736 -5.590 -7.415 121 1HB ALA 11 3HB ALA 11 4.334 -4.144 -9.727 122 2HB ALA 11 1HB ALA 11 5.965 -4.828 -9.787 123 3HB ALA 11 2HB ALA 11 4.570 -5.907 -9.593 124 QB ALA 11 QB ALA 11 4.956 -4.959 -9.702 125 H ARG 12 H ARG 12 7.472 -4.107 -8.098 126 HA ARG 12 HA ARG 12 7.381 -1.448 -6.902 127 1HB ARG 12 1HB ARG 12 9.382 -2.934 -8.678 128 2HB ARG 12 2HB ARG 12 9.559 -1.229 -8.276 129 1HG ARG 12 1HG ARG 12 10.915 -2.393 -6.765 130 2HG ARG 12 2HG ARG 12 9.533 -1.790 -5.848 131 1HD ARG 12 1HD ARG 12 8.516 -4.023 -5.834 132 2HD ARG 12 2HD ARG 12 9.825 -4.665 -6.836 133 HE ARG 12 HE ARG 12 9.776 -4.268 -4.000 134 1HH1 ARG 12 2HH2 ARG 12 12.068 -4.459 -6.713 135 2HH1 ARG 12 1HH2 ARG 12 13.461 -4.431 -5.679 136 1HH2 ARG 12 2HH1 ARG 12 11.514 -4.477 -2.697 137 2HH2 ARG 12 1HH1 ARG 12 13.105 -4.798 -3.344 138 QB ARG 12 QB ARG 12 9.471 -2.082 -8.477 139 QG ARG 12 QG ARG 12 10.224 -2.091 -6.306 140 QD ARG 12 QD ARG 12 9.171 -4.344 -6.335 141 QH1 ARG 12 QH2 ARG 12 12.764 -4.445 -6.196 142 QH2 ARG 12 QH1 ARG 12 12.310 -4.638 -3.021 143 H GLY 13 H GLY 13 6.421 0.179 -7.783 144 1HA GLY 13 1HA GLY 13 6.177 1.875 -9.433 145 2HA GLY 13 2HA GLY 13 6.442 0.687 -10.715 146 QA GLY 13 QA GLY 13 6.310 1.281 -10.074 147 H ALA 14 H ALA 14 4.829 -1.328 -10.200 148 HA ALA 14 HA ALA 14 2.710 -2.046 -10.795 149 1HB ALA 14 2HB ALA 14 2.377 -1.598 -8.382 150 2HB ALA 14 3HB ALA 14 1.764 0.019 -8.790 151 3HB ALA 14 1HB ALA 14 0.900 -1.419 -9.349 152 QB ALA 14 QB ALA 14 1.680 -0.999 -8.840 153 H SER 15 H SER 15 0.307 -1.009 -11.258 154 HA SER 15 HA SER 15 0.586 1.506 -12.778 155 1HB SER 15 1HB SER 15 -1.179 0.823 -14.287 156 2HB SER 15 2HB SER 15 0.067 -0.432 -14.356 157 HG SER 15 HG SER 15 -1.995 -1.342 -14.186 158 QB SER 15 QB SER 15 -0.556 0.195 -14.322 159 H ASP 16 H ASP 16 -1.422 2.797 -12.592 160 HA ASP 16 HA ASP 16 -2.007 2.963 -9.838 161 1HB ASP 16 1HB ASP 16 -2.020 4.888 -11.429 162 2HB ASP 16 2HB ASP 16 -3.514 4.270 -12.131 163 QB ASP 16 QB ASP 16 -2.767 4.579 -11.780 164 H GLU 17 H GLU 17 -3.433 1.159 -12.399 165 HA GLU 17 HA GLU 17 -6.061 0.751 -11.127 166 1HB GLU 17 1HB GLU 17 -5.700 1.028 -13.603 167 2HB GLU 17 2HB GLU 17 -4.874 -0.535 -13.623 168 1HG GLU 17 1HG GLU 17 -6.880 -1.700 -12.950 169 2HG GLU 17 2HG GLU 17 -7.679 -0.191 -12.485 170 QB GLU 17 QB GLU 17 -5.287 0.247 -13.613 171 QG GLU 17 QG GLU 17 -7.279 -0.945 -12.717 172 H GLU 18 H GLU 18 -2.842 -0.767 -11.200 173 HA GLU 18 HA GLU 18 -3.834 -3.302 -10.159 174 1HB GLU 18 1HB GLU 18 -1.325 -2.361 -11.233 175 2HB GLU 18 2HB GLU 18 -1.053 -2.614 -9.535 176 1HG GLU 18 1HG GLU 18 -2.161 -4.661 -11.490 177 2HG GLU 18 2HG GLU 18 -0.539 -4.629 -10.806 178 QB GLU 18 QB GLU 18 -1.189 -2.487 -10.384 179 QG GLU 18 QG GLU 18 -1.350 -4.645 -11.148 180 H ILE 19 H ILE 19 -2.508 -0.139 -9.159 181 HA ILE 19 HA ILE 19 -2.264 -0.734 -6.453 182 HB ILE 19 HB ILE 19 -2.254 1.721 -8.134 183 1HG1 ILE 19 1HG1 ILE 19 -0.520 0.805 -5.824 184 2HG1 ILE 19 2HG1 ILE 19 -0.338 0.153 -7.457 185 1HG2 ILE 19 1HG2 ILE 19 -2.644 1.914 -5.132 186 2HG2 ILE 19 2HG2 ILE 19 -2.090 3.256 -6.165 187 3HG2 ILE 19 3HG2 ILE 19 -3.700 2.596 -6.383 188 1HD1 ILE 19 1HD1 ILE 19 0.252 2.382 -8.297 189 2HD1 ILE 19 2HD1 ILE 19 0.139 3.022 -6.630 190 3HD1 ILE 19 3HD1 ILE 19 1.351 1.798 -7.027 191 QG1 ILE 19 QG1 ILE 19 -0.429 0.479 -6.641 192 QG2 ILE 19 QG2 ILE 19 -2.812 2.589 -5.894 193 QD1 ILE 19 QD1 ILE 19 0.581 2.400 -7.318 194 H LYS 20 H LYS 20 -5.035 0.957 -8.054 195 HA LYS 20 HA LYS 20 -6.599 0.852 -5.705 196 1HB LYS 20 1HB LYS 20 -6.991 2.156 -7.913 197 2HB LYS 20 2HB LYS 20 -7.888 0.723 -8.448 198 1HG LYS 20 1HG LYS 20 -9.354 0.930 -6.412 199 2HG LYS 20 2HG LYS 20 -8.373 2.304 -5.882 200 1HD LYS 20 1HD LYS 20 -10.162 3.392 -6.832 201 2HD LYS 20 2HD LYS 20 -8.996 3.402 -8.142 202 1HE LYS 20 1HE LYS 20 -10.918 2.768 -9.253 203 2HE LYS 20 2HE LYS 20 -10.221 1.185 -8.904 204 1HZ LYS 20 2HZ LYS 20 -12.326 2.561 -7.327 205 2HZ LYS 20 3HZ LYS 20 -12.585 1.386 -8.416 206 3HZ LYS 20 1HZ LYS 20 -11.751 1.012 -7.042 207 QB LYS 20 QB LYS 20 -7.439 1.439 -8.181 208 QG LYS 20 QG LYS 20 -8.863 1.617 -6.147 209 QD LYS 20 QD LYS 20 -9.579 3.397 -7.487 210 QE LYS 20 QE LYS 20 -10.569 1.976 -9.078 211 QZ LYS 20 QZ LYS 20 -12.221 1.653 -7.595 212 H ARG 21 H ARG 21 -6.144 -1.690 -8.195 213 HA ARG 21 HA ARG 21 -8.261 -3.384 -7.263 214 1HB ARG 21 1HB ARG 21 -6.957 -3.603 -9.424 215 2HB ARG 21 2HB ARG 21 -5.605 -4.251 -8.522 216 1HG ARG 21 1HG ARG 21 -6.957 -6.173 -7.783 217 2HG ARG 21 2HG ARG 21 -8.418 -5.435 -8.449 218 1HD ARG 21 1HD ARG 21 -7.742 -7.146 -9.951 219 2HD ARG 21 2HD ARG 21 -7.428 -5.600 -10.749 220 HE ARG 21 HE ARG 21 -5.007 -5.920 -9.890 221 1HH1 ARG 21 2HH2 ARG 21 -7.008 -8.514 -11.242 222 2HH1 ARG 21 1HH2 ARG 21 -5.696 -9.645 -11.324 223 1HH2 ARG 21 2HH1 ARG 21 -3.338 -7.208 -10.248 224 2HH2 ARG 21 1HH1 ARG 21 -3.450 -8.754 -11.065 225 QB ARG 21 QB ARG 21 -6.281 -3.927 -8.973 226 QG ARG 21 QG ARG 21 -7.687 -5.804 -8.116 227 QD ARG 21 QD ARG 21 -7.585 -6.373 -10.350 228 QH1 ARG 21 QH2 ARG 21 -6.352 -9.080 -11.283 229 QH2 ARG 21 QH1 ARG 21 -3.394 -7.981 -10.657 230 H ALA 22 H ALA 22 -4.825 -3.315 -6.563 231 HA ALA 22 HA ALA 22 -4.582 -5.196 -4.516 232 1HB ALA 22 1HB ALA 22 -2.689 -4.238 -5.600 233 2HB ALA 22 2HB ALA 22 -3.003 -2.654 -4.849 234 3HB ALA 22 3HB ALA 22 -2.576 -4.055 -3.846 235 QB ALA 22 QB ALA 22 -2.756 -3.649 -4.765 236 H TYR 23 H TYR 23 -5.054 -1.573 -3.966 237 HA TYR 23 HA TYR 23 -5.331 -1.815 -1.202 238 1HB TYR 23 1HB TYR 23 -4.886 0.289 -1.680 239 2HB TYR 23 2HB TYR 23 -5.335 0.154 -3.342 240 HD1 TYR 23 1HD TYR 23 -8.069 0.025 -3.675 241 HD2 TYR 23 2HD TYR 23 -5.770 2.241 -0.773 242 HE1 TYR 23 1HE TYR 23 -9.730 1.797 -3.770 243 HE2 TYR 23 2HE TYR 23 -7.450 4.057 -0.892 244 HH TYR 23 HH TYR 23 -9.136 4.959 -2.461 245 QB TYR 23 QB TYR 23 -5.111 0.222 -2.511 246 QG TYR 23 QD TYR 23 -6.920 1.133 -2.224 247 QZ TYR 23 QE TYR 23 -8.590 2.927 -2.331 248 QR TYR 23 QR TYR 23 -7.755 2.030 -2.278 249 H ARG 24 H ARG 24 -7.824 -2.177 -3.745 250 HA ARG 24 HA ARG 24 -9.993 -2.245 -1.858 251 1HB ARG 24 1HB ARG 24 -10.222 -1.914 -4.361 252 2HB ARG 24 2HB ARG 24 -9.800 -3.610 -4.587 253 1HG ARG 24 1HG ARG 24 -12.138 -3.594 -4.656 254 2HG ARG 24 2HG ARG 24 -11.785 -4.148 -3.013 255 1HD ARG 24 1HD ARG 24 -12.053 -1.680 -2.311 256 2HD ARG 24 2HD ARG 24 -12.685 -1.385 -3.927 257 HE ARG 24 HE ARG 24 -14.557 -2.790 -3.484 258 1HH1 ARG 24 2HH2 ARG 24 -12.626 -2.188 -0.557 259 2HH1 ARG 24 1HH2 ARG 24 -13.820 -2.783 0.517 260 1HH2 ARG 24 2HH1 ARG 24 -16.111 -3.533 -2.106 261 2HH2 ARG 24 1HH1 ARG 24 -15.849 -3.648 -0.368 262 QB ARG 24 QB ARG 24 -10.011 -2.762 -4.474 263 QG ARG 24 QG ARG 24 -11.962 -3.871 -3.835 264 QD ARG 24 QD ARG 24 -12.369 -1.532 -3.119 265 QH1 ARG 24 QH2 ARG 24 -13.223 -2.485 -0.020 266 QH2 ARG 24 QH1 ARG 24 -15.980 -3.591 -1.237 267 H ARG 25 H ARG 25 -8.277 -4.947 -3.547 268 HA ARG 25 HA ARG 25 -9.576 -6.940 -1.957 269 1HB ARG 25 1HB ARG 25 -8.252 -8.526 -3.084 270 2HB ARG 25 2HB ARG 25 -8.561 -7.244 -4.259 271 1HG ARG 25 1HG ARG 25 -6.310 -6.332 -3.894 272 2HG ARG 25 2HG ARG 25 -5.961 -7.566 -2.677 273 1HD ARG 25 1HD ARG 25 -6.382 -9.313 -4.431 274 2HD ARG 25 2HD ARG 25 -6.575 -8.017 -5.613 275 HE ARG 25 HE ARG 25 -4.343 -7.650 -5.667 276 1HH1 ARG 25 2HH2 ARG 25 -4.909 -9.905 -2.909 277 2HH1 ARG 25 1HH2 ARG 25 -3.375 -10.702 -3.220 278 1HH2 ARG 25 2HH1 ARG 25 -2.164 -8.499 -5.609 279 2HH2 ARG 25 1HH1 ARG 25 -1.892 -9.945 -4.668 280 QB ARG 25 QB ARG 25 -8.406 -7.885 -3.672 281 QG ARG 25 QG ARG 25 -6.135 -6.949 -3.286 282 QD ARG 25 QD ARG 25 -6.478 -8.665 -5.022 283 QH1 ARG 25 QH2 ARG 25 -4.142 -10.303 -3.064 284 QH2 ARG 25 QH1 ARG 25 -2.028 -9.222 -5.139 285 H GLN 26 H GLN 26 -6.922 -4.918 -1.132 286 HA GLN 26 HA GLN 26 -5.740 -6.777 0.764 287 1HB GLN 26 1HB GLN 26 -5.240 -3.914 -0.103 288 2HB GLN 26 2HB GLN 26 -4.461 -4.489 1.326 289 1HG GLN 26 1HG GLN 26 -4.251 -5.896 -1.376 290 2HG GLN 26 2HG GLN 26 -3.118 -4.706 -0.741 291 1HE2 GLN 26 2HE2 GLN 26 -1.182 -7.449 0.281 292 2HE2 GLN 26 1HE2 GLN 26 -1.421 -6.131 -0.891 293 QB GLN 26 QB GLN 26 -4.851 -4.202 0.611 294 QG GLN 26 QG GLN 26 -3.685 -5.301 -1.058 295 QE2 GLN 26 QE2 GLN 26 -1.301 -6.790 -0.305 296 H ALA 27 H ALA 27 -7.748 -3.795 0.954 297 HA ALA 27 HA ALA 27 -8.130 -3.934 3.799 298 1HB ALA 27 3HB ALA 27 -9.970 -2.972 1.553 299 2HB ALA 27 1HB ALA 27 -10.321 -2.802 3.286 300 3HB ALA 27 2HB ALA 27 -8.910 -1.989 2.601 301 QB ALA 27 QB ALA 27 -9.734 -2.587 2.480 302 H LEU 28 H LEU 28 -9.909 -5.357 1.009 303 HA LEU 28 HA LEU 28 -11.497 -7.116 2.662 304 1HB LEU 28 1HB LEU 28 -11.521 -6.188 -0.027 305 2HB LEU 28 2HB LEU 28 -11.190 -7.890 -0.187 306 HG LEU 28 HG LEU 28 -13.547 -7.433 -0.370 307 1HD1 LEU 28 2HD1 LEU 28 -12.941 -9.565 0.728 308 2HD1 LEU 28 3HD1 LEU 28 -13.127 -8.786 2.319 309 3HD1 LEU 28 1HD1 LEU 28 -14.523 -8.936 1.227 310 1HD2 LEU 28 1HD2 LEU 28 -13.586 -5.333 0.941 311 2HD2 LEU 28 2HD2 LEU 28 -14.896 -6.444 1.356 312 3HD2 LEU 28 3HD2 LEU 28 -13.516 -6.273 2.449 313 QB LEU 28 QB LEU 28 -11.355 -7.039 -0.107 314 QD1 LEU 28 QD1 LEU 28 -13.530 -9.096 1.424 315 QD2 LEU 28 QD2 LEU 28 -14.000 -6.017 1.582 316 QQD LEU 28 QQD LEU 28 -13.765 -7.556 1.503 317 H ARG 29 H ARG 29 -8.273 -7.356 2.445 318 HA ARG 29 HA ARG 29 -8.378 -10.298 2.680 319 1HB ARG 29 1HB ARG 29 -6.606 -9.669 1.158 320 2HB ARG 29 2HB ARG 29 -6.012 -8.434 2.261 321 1HG ARG 29 1HG ARG 29 -4.552 -10.339 2.344 322 2HG ARG 29 2HG ARG 29 -5.397 -10.164 3.889 323 1HD ARG 29 1HD ARG 29 -7.011 -11.938 3.160 324 2HD ARG 29 2HD ARG 29 -6.104 -12.129 1.658 325 HE ARG 29 HE ARG 29 -4.176 -12.472 3.588 326 1HH1 ARG 29 2HH2 ARG 29 -7.277 -14.116 2.881 327 2HH1 ARG 29 1HH2 ARG 29 -6.657 -15.673 3.294 328 1HH2 ARG 29 2HH1 ARG 29 -3.712 -14.379 4.797 329 2HH2 ARG 29 1HH1 ARG 29 -4.663 -15.799 4.502 330 QB ARG 29 QB ARG 29 -6.309 -9.051 1.709 331 QG ARG 29 QG ARG 29 -4.975 -10.252 3.116 332 QD ARG 29 QD ARG 29 -6.558 -12.034 2.409 333 QH1 ARG 29 QH2 ARG 29 -6.967 -14.895 3.088 334 QH2 ARG 29 QH1 ARG 29 -4.188 -15.089 4.649 335 H TYR 30 H TYR 30 -6.751 -7.503 4.166 336 HA TYR 30 HA TYR 30 -6.472 -8.985 6.597 337 1HB TYR 30 1HB TYR 30 -5.649 -6.239 5.570 338 2HB TYR 30 2HB TYR 30 -5.273 -6.764 7.203 339 HD1 TYR 30 2HD TYR 30 -3.806 -8.542 7.677 340 HD2 TYR 30 1HD TYR 30 -4.394 -7.292 3.621 341 HE1 TYR 30 2HE TYR 30 -1.783 -9.840 7.018 342 HE2 TYR 30 1HE TYR 30 -2.362 -8.519 2.947 343 HH TYR 30 HH TYR 30 -0.288 -9.358 3.936 344 QB TYR 30 QB TYR 30 -5.461 -6.502 6.387 345 QG TYR 30 QD TYR 30 -4.100 -7.917 5.649 346 QZ TYR 30 QE TYR 30 -2.073 -9.179 4.983 347 QR TYR 30 QR TYR 30 -3.086 -8.548 5.316 348 H HIS 31 H HIS 31 -9.173 -7.337 5.632 349 HA HIS 31 HA HIS 31 -10.114 -5.783 7.706 350 1HB HIS 31 1HB HIS 31 -11.200 -7.180 5.463 351 2HB HIS 31 2HB HIS 31 -12.038 -7.827 6.841 352 HD1 HIS 31 1HD HIS 31 -14.130 -6.585 7.592 353 HD2 HIS 31 2HD HIS 31 -11.484 -4.485 5.133 354 HE1 HIS 31 1HE HIS 31 -15.216 -4.394 7.234 355 QB HIS 31 QB HIS 31 -11.619 -7.503 6.152 356 HA PRO 32 HA PRO 32 -9.594 -8.518 11.129 357 1HB PRO 32 1HB PRO 32 -11.280 -7.427 13.017 358 2HB PRO 32 2HB PRO 32 -9.722 -6.700 12.536 359 1HG PRO 32 1HG PRO 32 -12.498 -5.979 11.582 360 2HG PRO 32 2HG PRO 32 -11.131 -4.903 12.034 361 1HD PRO 32 1HD PRO 32 -11.782 -5.515 9.446 362 2HD PRO 32 2HD PRO 32 -10.108 -5.177 9.968 363 QB PRO 32 QB PRO 32 -10.501 -7.063 12.777 364 QG PRO 32 QG PRO 32 -11.815 -5.441 11.808 365 QD PRO 32 QD PRO 32 -10.945 -5.346 9.707 366 H ASP 33 H ASP 33 -12.844 -7.798 9.971 367 HA ASP 33 HA ASP 33 -14.003 -10.220 11.076 368 1HB ASP 33 1HB ASP 33 -16.059 -9.485 10.000 369 2HB ASP 33 2HB ASP 33 -15.315 -8.145 10.871 370 QB ASP 33 QB ASP 33 -15.687 -8.815 10.435 371 H LYS 34 H LYS 34 -12.115 -9.540 8.304 372 HA LYS 34 HA LYS 34 -13.477 -11.496 6.569 373 1HB LYS 34 1HB LYS 34 -12.662 -9.419 5.470 374 2HB LYS 34 2HB LYS 34 -11.077 -9.686 6.179 375 1HG LYS 34 1HG LYS 34 -10.899 -10.210 3.957 376 2HG LYS 34 2HG LYS 34 -10.693 -11.714 4.816 377 1HD LYS 34 1HD LYS 34 -13.431 -10.919 3.791 378 2HD LYS 34 2HD LYS 34 -12.228 -11.510 2.647 379 1HE LYS 34 1HE LYS 34 -12.541 -13.626 3.184 380 2HE LYS 34 2HE LYS 34 -12.269 -13.328 4.894 381 1HZ LYS 34 1HZ LYS 34 -14.884 -12.795 3.618 382 2HZ LYS 34 2HZ LYS 34 -14.453 -14.271 4.264 383 3HZ LYS 34 3HZ LYS 34 -14.555 -12.987 5.240 384 QB LYS 34 QB LYS 34 -11.869 -9.553 5.825 385 QG LYS 34 QG LYS 34 -10.796 -10.962 4.386 386 QD LYS 34 QD LYS 34 -12.829 -11.215 3.219 387 QE LYS 34 QE LYS 34 -12.405 -13.477 4.039 388 QZ LYS 34 QZ LYS 34 -14.631 -13.351 4.374 389 H ASN 35 H ASN 35 -10.124 -10.905 7.809 390 HA ASN 35 HA ASN 35 -9.351 -13.630 6.982 391 1HB ASN 35 1HB ASN 35 -7.902 -11.202 8.068 392 2HB ASN 35 2HB ASN 35 -7.200 -12.787 8.362 393 1HD2 ASN 35 2HD2 ASN 35 -5.600 -11.870 5.251 394 2HD2 ASN 35 1HD2 ASN 35 -5.536 -11.340 6.906 395 QB ASN 35 QB ASN 35 -7.551 -11.994 8.215 396 QD2 ASN 35 QD2 ASN 35 -5.568 -11.605 6.079 397 H LYS 36 H LYS 36 -9.898 -11.772 9.925 398 HA LYS 36 HA LYS 36 -10.294 -12.234 11.980 399 1HB LYS 36 1HB LYS 36 -11.507 -14.522 10.634 400 2HB LYS 36 2HB LYS 36 -10.952 -15.015 12.201 401 1HG LYS 36 1HG LYS 36 -12.695 -12.545 11.832 402 2HG LYS 36 2HG LYS 36 -13.349 -14.170 11.909 403 1HD LYS 36 1HD LYS 36 -13.557 -13.372 14.099 404 2HD LYS 36 2HD LYS 36 -12.233 -14.521 14.129 405 1HE LYS 36 1HE LYS 36 -11.703 -12.636 15.524 406 2HE LYS 36 2HE LYS 36 -10.598 -12.644 14.155 407 1HZ LYS 36 1HZ LYS 36 -13.064 -11.003 14.180 408 2HZ LYS 36 2HZ LYS 36 -11.627 -10.438 14.756 409 3HZ LYS 36 3HZ LYS 36 -11.804 -10.852 13.173 410 QB LYS 36 QB LYS 36 -11.229 -14.769 11.417 411 QG LYS 36 QG LYS 36 -13.022 -13.357 11.871 412 QD LYS 36 QD LYS 36 -12.895 -13.947 14.114 413 QE LYS 36 QE LYS 36 -11.151 -12.640 14.839 414 QZ LYS 36 QZ LYS 36 -12.165 -10.764 14.036 415 H GLU 37 H GLU 37 -7.650 -13.503 10.445 416 HA GLU 37 HA GLU 37 -6.391 -14.949 12.528 417 1HB GLU 37 1HB GLU 37 -5.846 -15.208 10.182 418 2HB GLU 37 2HB GLU 37 -5.444 -13.498 10.039 419 1HG GLU 37 1HG GLU 37 -3.589 -13.899 11.747 420 2HG GLU 37 2HG GLU 37 -4.000 -15.614 11.633 421 QB GLU 37 QB GLU 37 -5.645 -14.353 10.111 422 QG GLU 37 QG GLU 37 -3.794 -14.757 11.690 423 HA PRO 38 HA PRO 38 -5.370 -11.229 14.763 424 1HB PRO 38 1HB PRO 38 -3.600 -12.128 16.681 425 2HB PRO 38 2HB PRO 38 -5.345 -12.546 16.729 426 1HG PRO 38 1HG PRO 38 -3.047 -14.118 15.520 427 2HG PRO 38 2HG PRO 38 -4.290 -14.692 16.669 428 1HD PRO 38 1HD PRO 38 -4.528 -15.104 13.986 429 2HD PRO 38 2HD PRO 38 -5.966 -14.704 14.973 430 QB PRO 38 QB PRO 38 -4.473 -12.337 16.705 431 QG PRO 38 QG PRO 38 -3.669 -14.405 16.095 432 QD PRO 38 QD PRO 38 -5.247 -14.904 14.480 433 H GLY 39 H GLY 39 -3.343 -12.830 13.224 434 1HA GLY 39 1HA GLY 39 -0.748 -11.346 13.220 435 2HA GLY 39 2HA GLY 39 -1.221 -12.587 12.033 436 QA GLY 39 QA GLY 39 -0.985 -11.967 12.627 437 H ALA 40 H ALA 40 -2.999 -12.049 10.551 438 HA ALA 40 HA ALA 40 -2.819 -9.834 9.055 439 1HB ALA 40 3HB ALA 40 -5.375 -11.342 9.768 440 2HB ALA 40 1HB ALA 40 -5.197 -10.289 8.375 441 3HB ALA 40 2HB ALA 40 -4.227 -11.780 8.487 442 QB ALA 40 QB ALA 40 -4.933 -11.137 8.877 443 H GLU 41 H GLU 41 -4.925 -10.101 11.963 444 HA GLU 41 HA GLU 41 -6.269 -7.677 11.609 445 1HB GLU 41 1HB GLU 41 -7.017 -9.395 13.118 446 2HB GLU 41 2HB GLU 41 -5.585 -9.207 14.129 447 1HG GLU 41 1HG GLU 41 -7.184 -6.710 13.759 448 2HG GLU 41 2HG GLU 41 -8.026 -8.030 14.549 449 QB GLU 41 QB GLU 41 -6.301 -9.301 13.624 450 QG GLU 41 QG GLU 41 -7.605 -7.370 14.154 451 H GLU 42 H GLU 42 -3.173 -8.262 13.281 452 HA GLU 42 HA GLU 42 -2.829 -5.472 13.993 453 1HB GLU 42 1HB GLU 42 -1.624 -7.420 15.088 454 2HB GLU 42 2HB GLU 42 -0.673 -7.571 13.605 455 1HG GLU 42 1HG GLU 42 0.729 -6.212 14.800 456 2HG GLU 42 2HG GLU 42 -0.186 -4.963 14.013 457 QB GLU 42 QB GLU 42 -1.148 -7.496 14.346 458 QG GLU 42 QG GLU 42 0.272 -5.588 14.406 459 H LYS 43 H LYS 43 -1.748 -7.559 11.294 460 HA LYS 43 HA LYS 43 -0.048 -5.723 10.086 461 1HB LYS 43 1HB LYS 43 -1.256 -8.376 9.519 462 2HB LYS 43 2HB LYS 43 -0.982 -7.422 8.099 463 1HG LYS 43 1HG LYS 43 1.000 -8.692 8.454 464 2HG LYS 43 2HG LYS 43 1.388 -7.021 8.849 465 1HD LYS 43 1HD LYS 43 0.925 -7.696 11.336 466 2HD LYS 43 2HD LYS 43 0.861 -9.354 10.735 467 1HE LYS 43 1HE LYS 43 3.065 -9.091 11.503 468 2HE LYS 43 2HE LYS 43 3.193 -8.956 9.744 469 1HZ LYS 43 3HZ LYS 43 3.103 -6.654 11.619 470 2HZ LYS 43 1HZ LYS 43 4.462 -7.239 10.937 471 3HZ LYS 43 2HZ LYS 43 3.307 -6.543 10.002 472 QB LYS 43 QB LYS 43 -1.119 -7.899 8.809 473 QG LYS 43 QG LYS 43 1.194 -7.856 8.652 474 QD LYS 43 QD LYS 43 0.893 -8.525 11.036 475 QE LYS 43 QE LYS 43 3.129 -9.024 10.624 476 QZ LYS 43 QZ LYS 43 3.624 -6.812 10.853 477 H PHE 44 H PHE 44 -3.537 -5.959 9.914 478 HA PHE 44 HA PHE 44 -4.095 -4.367 7.671 479 1HB PHE 44 1HB PHE 44 -5.707 -5.535 9.200 480 2HB PHE 44 2HB PHE 44 -5.421 -4.316 10.417 481 HD1 PHE 44 1HD PHE 44 -6.935 -4.953 7.111 482 HD2 PHE 44 2HD PHE 44 -6.379 -2.051 10.250 483 HE1 PHE 44 1HE PHE 44 -8.792 -3.621 6.185 484 HE2 PHE 44 2HE PHE 44 -8.189 -0.667 9.266 485 1HZ PHE 44 HZ PHE 44 -9.411 -1.457 7.264 486 QB PHE 44 QB PHE 44 -5.564 -4.926 9.809 487 QG PHE 44 QD PHE 44 -6.657 -3.502 8.681 488 QZ PHE 44 QE PHE 44 -8.490 -2.144 7.725 489 QZ PHE 44 QR PHE 44 -7.941 -2.550 8.015 490 H LYS 45 H LYS 45 -3.039 -3.361 10.964 491 HA LYS 45 HA LYS 45 -3.411 -0.556 10.519 492 1HB LYS 45 1HB LYS 45 -1.545 -1.981 12.478 493 2HB LYS 45 2HB LYS 45 -1.805 -0.246 12.398 494 1HG LYS 45 1HG LYS 45 -3.262 -0.795 14.073 495 2HG LYS 45 2HG LYS 45 -4.337 -0.768 12.679 496 1HD LYS 45 1HD LYS 45 -4.030 -3.332 12.586 497 2HD LYS 45 2HD LYS 45 -3.210 -3.193 14.153 498 1HE LYS 45 1HE LYS 45 -5.248 -2.241 15.141 499 2HE LYS 45 2HE LYS 45 -6.008 -2.139 13.557 500 1HZ LYS 45 2HZ LYS 45 -5.829 -4.619 13.489 501 2HZ LYS 45 3HZ LYS 45 -5.420 -4.632 15.050 502 3HZ LYS 45 1HZ LYS 45 -6.865 -4.011 14.625 503 QB LYS 45 QB LYS 45 -1.675 -1.113 12.438 504 QG LYS 45 QG LYS 45 -3.800 -0.782 13.376 505 QD LYS 45 QD LYS 45 -3.620 -3.263 13.369 506 QE LYS 45 QE LYS 45 -5.628 -2.190 14.349 507 QZ LYS 45 QZ LYS 45 -6.038 -4.421 14.388 508 H GLU 46 H GLU 46 -0.662 -2.816 9.765 509 HA GLU 46 HA GLU 46 1.070 -0.931 8.790 510 1HB GLU 46 1HB GLU 46 0.896 -3.646 9.410 511 2HB GLU 46 2HB GLU 46 1.222 -3.636 7.657 512 1HG GLU 46 1HG GLU 46 2.948 -1.864 8.334 513 2HG GLU 46 2HG GLU 46 2.795 -2.469 9.974 514 QB GLU 46 QB GLU 46 1.059 -3.641 8.533 515 QG GLU 46 QG GLU 46 2.872 -2.166 9.154 516 H ILE 47 H ILE 47 -1.545 -2.881 7.307 517 HA ILE 47 HA ILE 47 -1.160 -2.256 4.575 518 HB ILE 47 HB ILE 47 -3.764 -2.733 6.082 519 1HG1 ILE 47 1HG1 ILE 47 -1.946 -4.597 5.828 520 2HG1 ILE 47 2HG1 ILE 47 -3.644 -4.929 5.525 521 1HG2 ILE 47 1HG2 ILE 47 -3.418 -2.435 3.112 522 2HG2 ILE 47 2HG2 ILE 47 -4.832 -3.160 3.918 523 3HG2 ILE 47 3HG2 ILE 47 -4.427 -1.473 4.209 524 1HD1 ILE 47 2HD1 ILE 47 -1.747 -4.222 3.302 525 2HD1 ILE 47 3HD1 ILE 47 -2.008 -5.883 3.894 526 3HD1 ILE 47 1HD1 ILE 47 -3.370 -4.977 3.216 527 QG1 ILE 47 QG1 ILE 47 -2.795 -4.763 5.677 528 QG2 ILE 47 QG2 ILE 47 -4.226 -2.356 3.746 529 QD1 ILE 47 QD1 ILE 47 -2.375 -5.028 3.470 530 H ALA 48 H ALA 48 -2.965 -0.486 7.133 531 HA ALA 48 HA ALA 48 -4.014 1.558 5.504 532 1HB ALA 48 3HB ALA 48 -4.804 1.047 7.763 533 2HB ALA 48 1HB ALA 48 -3.274 1.648 8.446 534 3HB ALA 48 2HB ALA 48 -4.366 2.761 7.610 535 QB ALA 48 QB ALA 48 -4.148 1.819 7.940 536 H GLU 49 H GLU 49 -0.857 1.315 7.162 537 HA GLU 49 HA GLU 49 -0.047 4.034 6.736 538 1HB GLU 49 1HB GLU 49 1.037 2.217 8.263 539 2HB GLU 49 2HB GLU 49 1.847 1.654 6.810 540 1HG GLU 49 1HG GLU 49 3.372 3.130 7.894 541 2HG GLU 49 2HG GLU 49 2.769 4.006 6.484 542 QB GLU 49 QB GLU 49 1.442 1.936 7.536 543 QG GLU 49 QG GLU 49 3.070 3.568 7.189 544 H ALA 50 H ALA 50 0.411 1.044 4.793 545 HA ALA 50 HA ALA 50 1.763 2.464 2.628 546 1HB ALA 50 3HB ALA 50 2.102 0.044 3.134 547 2HB ALA 50 1HB ALA 50 0.421 -0.274 2.642 548 3HB ALA 50 2HB ALA 50 1.605 0.343 1.465 549 QB ALA 50 QB ALA 50 1.376 0.038 2.414 550 H TYR 51 H TYR 51 -1.593 1.810 3.520 551 HA TYR 51 HA TYR 51 -2.854 2.010 1.007 552 1HB TYR 51 1HB TYR 51 -3.602 1.418 3.518 553 2HB TYR 51 2HB TYR 51 -4.173 3.058 3.515 554 HD1 TYR 51 1HD TYR 51 -4.360 -0.304 2.139 555 HD2 TYR 51 2HD TYR 51 -6.302 3.531 2.323 556 HE1 TYR 51 1HE TYR 51 -6.437 -1.354 1.355 557 HE2 TYR 51 2HE TYR 51 -8.399 2.513 1.479 558 HH TYR 51 HH TYR 51 -8.456 -0.852 0.349 559 QB TYR 51 QB TYR 51 -3.888 2.238 3.517 560 QG TYR 51 QD TYR 51 -5.331 1.613 2.231 561 QZ TYR 51 QE TYR 51 -7.418 0.580 1.417 562 QR TYR 51 QR TYR 51 -6.375 1.096 1.824 563 H ASP 52 H ASP 52 -2.012 4.442 3.452 564 HA ASP 52 HA ASP 52 -3.158 6.793 2.360 565 1HB ASP 52 1HB ASP 52 -2.083 6.710 4.555 566 2HB ASP 52 2HB ASP 52 -0.523 6.358 3.819 567 QB ASP 52 QB ASP 52 -1.303 6.534 4.187 568 H VAL 53 H VAL 53 -0.023 5.267 1.746 569 HA VAL 53 HA VAL 53 0.872 7.095 -0.283 570 HB VAL 53 HB VAL 53 1.634 4.175 0.165 571 1HG1 VAL 53 3HG1 VAL 53 3.010 6.336 -1.444 572 2HG1 VAL 53 1HG1 VAL 53 3.668 4.709 -1.087 573 3HG1 VAL 53 2HG1 VAL 53 2.218 4.883 -2.070 574 1HG2 VAL 53 1HG2 VAL 53 2.135 6.161 1.956 575 2HG2 VAL 53 2HG2 VAL 53 3.100 4.715 1.679 576 3HG2 VAL 53 3HG2 VAL 53 3.579 6.240 0.904 577 QG1 VAL 53 QG1 VAL 53 2.965 5.309 -1.533 578 QG2 VAL 53 QG2 VAL 53 2.938 5.705 1.513 579 QQG VAL 53 QQG VAL 53 2.952 5.507 -0.010 580 H LEU 54 H LEU 54 -0.355 3.716 -0.606 581 HA LEU 54 HA LEU 54 -0.573 3.783 -3.461 582 1HB LEU 54 1HB LEU 54 -1.402 1.818 -1.354 583 2HB LEU 54 2HB LEU 54 -1.621 1.624 -3.068 584 HG LEU 54 HG LEU 54 0.147 0.502 -2.995 585 1HD1 LEU 54 1HD1 LEU 54 0.837 2.280 -4.500 586 2HD1 LEU 54 2HD1 LEU 54 1.722 3.049 -3.162 587 3HD1 LEU 54 3HD1 LEU 54 2.197 1.449 -3.734 588 1HD2 LEU 54 1HD2 LEU 54 0.474 0.825 -0.498 589 2HD2 LEU 54 2HD2 LEU 54 1.901 0.406 -1.444 590 3HD2 LEU 54 3HD2 LEU 54 1.647 2.084 -0.914 591 QB LEU 54 QB LEU 54 -1.511 1.721 -2.211 592 QD1 LEU 54 QD1 LEU 54 1.585 2.259 -3.799 593 QD2 LEU 54 QD2 LEU 54 1.341 1.105 -0.952 594 QQD LEU 54 QQD LEU 54 1.463 1.682 -2.375 595 H SER 55 H SER 55 -2.250 5.894 -2.080 596 HA SER 55 HA SER 55 -4.506 5.316 -3.827 597 1HB SER 55 1HB SER 55 -6.195 6.071 -2.244 598 2HB SER 55 2HB SER 55 -5.408 4.560 -1.795 599 HG SER 55 HG SER 55 -4.182 5.591 -0.272 600 QB SER 55 QB SER 55 -5.801 5.315 -2.019 601 H ASP 56 H ASP 56 -2.134 7.596 -2.693 602 HA ASP 56 HA ASP 56 -3.455 9.554 -4.487 603 1HB ASP 56 1HB ASP 56 -3.511 10.425 -2.266 604 2HB ASP 56 2HB ASP 56 -1.795 10.071 -2.015 605 QB ASP 56 QB ASP 56 -2.653 10.248 -2.141 606 HA PRO 57 HA PRO 57 0.212 8.576 -6.826 607 1HB PRO 57 1HB PRO 57 0.200 10.619 -8.681 608 2HB PRO 57 2HB PRO 57 -0.890 9.202 -8.739 609 1HG PRO 57 1HG PRO 57 -1.473 11.951 -7.584 610 2HG PRO 57 2HG PRO 57 -2.484 10.986 -8.705 611 1HD PRO 57 1HD PRO 57 -2.978 10.962 -6.061 612 2HD PRO 57 2HD PRO 57 -3.089 9.459 -7.004 613 QB PRO 57 QB PRO 57 -0.345 9.910 -8.710 614 QG PRO 57 QG PRO 57 -1.979 11.468 -8.145 615 QD PRO 57 QD PRO 57 -3.033 10.210 -6.532 616 H ARG 58 H ARG 58 -0.231 11.885 -5.440 617 HA ARG 58 HA ARG 58 2.500 12.705 -6.022 618 1HB ARG 58 1HB ARG 58 0.697 13.909 -3.908 619 2HB ARG 58 2HB ARG 58 2.059 14.622 -4.722 620 1HG ARG 58 1HG ARG 58 0.656 15.617 -6.098 621 2HG ARG 58 2HG ARG 58 0.337 14.073 -6.862 622 1HD ARG 58 1HD ARG 58 -1.767 13.953 -5.979 623 2HD ARG 58 2HD ARG 58 -1.272 14.537 -4.395 624 HE ARG 58 HE ARG 58 -1.268 16.808 -5.194 625 1HH1 ARG 58 2HH2 ARG 58 -3.256 14.570 -7.114 626 2HH1 ARG 58 1HH2 ARG 58 -3.952 15.821 -8.073 627 1HH2 ARG 58 2HH1 ARG 58 -2.351 18.438 -6.241 628 2HH2 ARG 58 1HH1 ARG 58 -3.486 18.103 -7.505 629 QB ARG 58 QB ARG 58 1.378 14.265 -4.315 630 QG ARG 58 QG ARG 58 0.496 14.845 -6.480 631 QD ARG 58 QD ARG 58 -1.519 14.245 -5.187 632 QH1 ARG 58 QH2 ARG 58 -3.604 15.195 -7.593 633 QH2 ARG 58 QH1 ARG 58 -2.919 18.271 -6.873 634 H LYS 59 H LYS 59 0.869 11.036 -3.383 635 HA LYS 59 HA LYS 59 2.924 11.484 -1.428 636 1HB LYS 59 1HB LYS 59 0.470 10.571 -1.145 637 2HB LYS 59 2HB LYS 59 1.127 9.001 -1.534 638 1HG LYS 59 1HG LYS 59 1.841 10.803 0.802 639 2HG LYS 59 2HG LYS 59 0.880 9.345 0.860 640 1HD LYS 59 1HD LYS 59 2.727 8.324 1.521 641 2HD LYS 59 2HD LYS 59 3.267 8.376 -0.137 642 1HE LYS 59 1HE LYS 59 5.060 9.170 1.234 643 2HE LYS 59 2HE LYS 59 4.413 10.600 0.417 644 1HZ LYS 59 2HZ LYS 59 3.587 9.790 3.149 645 2HZ LYS 59 3HZ LYS 59 4.831 10.853 2.868 646 3HZ LYS 59 1HZ LYS 59 3.327 11.239 2.400 647 QB LYS 59 QB LYS 59 0.798 9.786 -1.340 648 QG LYS 59 QG LYS 59 1.360 10.074 0.831 649 QD LYS 59 QD LYS 59 2.997 8.350 0.692 650 QE LYS 59 QE LYS 59 4.736 9.885 0.825 651 QZ LYS 59 QZ LYS 59 3.915 10.628 2.806 652 H ARG 60 H ARG 60 2.182 8.617 -3.594 653 HA ARG 60 HA ARG 60 4.596 7.310 -3.086 654 1HB ARG 60 1HB ARG 60 2.324 6.736 -4.493 655 2HB ARG 60 2HB ARG 60 3.416 7.105 -5.843 656 1HG ARG 60 1HG ARG 60 5.110 5.527 -4.735 657 2HG ARG 60 2HG ARG 60 3.849 5.216 -3.541 658 1HD ARG 60 1HD ARG 60 3.644 3.431 -4.976 659 2HD ARG 60 2HD ARG 60 2.352 4.521 -5.504 660 HE ARG 60 HE ARG 60 5.092 4.295 -6.765 661 1HH1 ARG 60 2HH2 ARG 60 1.570 4.680 -7.512 662 2HH1 ARG 60 1HH2 ARG 60 1.900 4.649 -9.191 663 1HH2 ARG 60 2HH1 ARG 60 5.413 4.757 -8.921 664 2HH2 ARG 60 1HH1 ARG 60 4.074 4.688 -10.015 665 QB ARG 60 QB ARG 60 2.870 6.921 -5.168 666 QG ARG 60 QG ARG 60 4.480 5.371 -4.138 667 QD ARG 60 QD ARG 60 2.998 3.976 -5.240 668 QH1 ARG 60 QH2 ARG 60 1.735 4.665 -8.352 669 QH2 ARG 60 QH1 ARG 60 4.744 4.723 -9.468 670 H GLU 61 H GLU 61 3.885 9.947 -5.398 671 HA GLU 61 HA GLU 61 5.887 9.642 -7.157 672 1HB GLU 61 1HB GLU 61 4.106 11.374 -7.157 673 2HB GLU 61 2HB GLU 61 5.007 12.293 -5.953 674 1HG GLU 61 1HG GLU 61 6.844 12.600 -7.518 675 2HG GLU 61 2HG GLU 61 6.050 11.577 -8.719 676 QB GLU 61 QB GLU 61 4.556 11.833 -6.555 677 QG GLU 61 QG GLU 61 6.447 12.088 -8.119 678 H ILE 62 H ILE 62 6.266 11.050 -3.955 679 HA ILE 62 HA ILE 62 9.023 11.883 -4.306 680 HB ILE 62 HB ILE 62 7.637 11.216 -1.676 681 1HG1 ILE 62 1HG1 ILE 62 7.634 13.913 -3.102 682 2HG1 ILE 62 2HG1 ILE 62 6.249 12.828 -2.985 683 1HG2 ILE 62 2HG2 ILE 62 10.151 11.553 -1.635 684 2HG2 ILE 62 3HG2 ILE 62 9.889 13.191 -2.262 685 3HG2 ILE 62 1HG2 ILE 62 9.272 12.723 -0.670 686 1HD1 ILE 62 2HD1 ILE 62 6.384 12.949 -0.489 687 2HD1 ILE 62 3HD1 ILE 62 7.606 14.237 -0.678 688 3HD1 ILE 62 1HD1 ILE 62 5.967 14.463 -1.315 689 QG1 ILE 62 QG1 ILE 62 6.942 13.370 -3.044 690 QG2 ILE 62 QG2 ILE 62 9.771 12.489 -1.522 691 QD1 ILE 62 QD1 ILE 62 6.652 13.883 -0.828 692 H PHE 63 H PHE 63 7.436 9.082 -2.761 693 HA PHE 63 HA PHE 63 9.751 7.672 -1.881 694 1HB PHE 63 1HB PHE 63 7.474 7.334 -1.035 695 2HB PHE 63 2HB PHE 63 6.926 6.774 -2.602 696 HD1 PHE 63 2HD PHE 63 7.978 4.601 -3.585 697 HD2 PHE 63 1HD PHE 63 8.252 5.769 0.572 698 HE1 PHE 63 2HE PHE 63 8.643 2.302 -2.966 699 HE2 PHE 63 1HE PHE 63 8.820 3.456 1.165 700 1HZ PHE 63 HZ PHE 63 9.134 1.735 -0.605 701 QB PHE 63 QB PHE 63 7.200 7.054 -1.818 702 QG PHE 63 QD PHE 63 8.115 5.185 -1.506 703 QZ PHE 63 QE PHE 63 8.731 2.879 -0.900 704 QZ PHE 63 QR PHE 63 8.565 3.573 -1.084 705 H ASP 64 H ASP 64 7.999 7.739 -4.970 706 HA ASP 64 HA ASP 64 9.473 5.598 -6.209 707 1HB ASP 64 1HB ASP 64 7.096 6.452 -6.724 708 2HB ASP 64 2HB ASP 64 7.875 7.749 -7.637 709 QB ASP 64 QB ASP 64 7.486 7.101 -7.180 710 H ARG 65 H ARG 65 9.554 9.203 -6.484 711 HA ARG 65 HA ARG 65 11.497 9.354 -8.521 712 1HB ARG 65 1HB ARG 65 10.285 11.329 -8.048 713 2HB ARG 65 2HB ARG 65 10.615 11.195 -6.342 714 1HG ARG 65 1HG ARG 65 12.848 12.011 -6.537 715 2HG ARG 65 2HG ARG 65 12.816 11.843 -8.299 716 1HD ARG 65 1HD ARG 65 12.619 14.185 -7.562 717 2HD ARG 65 2HD ARG 65 11.267 13.658 -8.541 718 HE ARG 65 HE ARG 65 11.297 14.172 -5.608 719 1HH1 ARG 65 2HH2 ARG 65 9.347 13.663 -8.566 720 2HH1 ARG 65 1HH2 ARG 65 7.988 14.511 -7.922 721 1HH2 ARG 65 2HH1 ARG 65 9.297 15.021 -4.688 722 2HH2 ARG 65 1HH1 ARG 65 7.846 14.880 -5.605 723 QB ARG 65 QB ARG 65 10.450 11.262 -7.195 724 QG ARG 65 QG ARG 65 12.832 11.927 -7.418 725 QD ARG 65 QD ARG 65 11.943 13.921 -8.051 726 QH1 ARG 65 QH2 ARG 65 8.668 14.087 -8.244 727 QH2 ARG 65 QH1 ARG 65 8.572 14.951 -5.147 728 H TYR 66 H TYR 66 11.855 9.507 -5.006 729 HA TYR 66 HA TYR 66 14.782 9.638 -5.234 730 1HB TYR 66 1HB TYR 66 12.871 9.445 -2.884 731 2HB TYR 66 2HB TYR 66 14.603 9.389 -2.722 732 HD1 TYR 66 2HD TYR 66 11.801 11.638 -3.813 733 HD2 TYR 66 1HD TYR 66 15.964 11.292 -2.706 734 HE1 TYR 66 2HE TYR 66 11.886 14.070 -3.361 735 HE2 TYR 66 1HE TYR 66 16.057 13.691 -2.281 736 HH TYR 66 HH TYR 66 14.846 15.574 -2.028 737 QB TYR 66 QB TYR 66 13.737 9.417 -2.803 738 QG TYR 66 QD TYR 66 13.882 11.465 -3.259 739 QZ TYR 66 QE TYR 66 13.972 13.881 -2.821 740 QR TYR 66 QR TYR 66 13.927 12.673 -3.040 741 H GLY 67 H GLY 67 12.345 7.092 -4.606 742 1HA GLY 67 1HA GLY 67 12.595 4.811 -4.568 743 2HA GLY 67 2HA GLY 67 14.329 4.946 -4.725 744 QA GLY 67 QA GLY 67 13.462 4.879 -4.646 745 H GLU 68 H GLU 68 11.686 5.495 -2.549 746 HA GLU 68 HA GLU 68 11.246 5.339 -0.383 747 1HB GLU 68 1HB GLU 68 12.122 3.042 -0.722 748 2HB GLU 68 2HB GLU 68 13.706 3.593 -0.151 749 1HG GLU 68 1HG GLU 68 12.606 4.327 1.982 750 2HG GLU 68 2HG GLU 68 11.088 3.667 1.409 751 QB GLU 68 QB GLU 68 12.914 3.318 -0.437 752 QG GLU 68 QG GLU 68 11.847 3.997 1.695 753 H GLU 69 H GLU 69 14.724 6.083 -0.838 754 HA GLU 69 HA GLU 69 15.232 7.154 1.666 755 1HB GLU 69 1HB GLU 69 17.194 8.143 0.751 756 2HB GLU 69 2HB GLU 69 16.932 6.546 0.031 757 1HG GLU 69 1HG GLU 69 16.038 7.610 -2.008 758 2HG GLU 69 2HG GLU 69 16.264 9.205 -1.275 759 QB GLU 69 QB GLU 69 17.063 7.345 0.391 760 QG GLU 69 QG GLU 69 16.151 8.408 -1.642 761 H GLY 70 H GLY 70 13.401 8.637 -0.851 762 1HA GLY 70 1HA GLY 70 13.761 11.400 -0.153 763 2HA GLY 70 2HA GLY 70 12.498 10.735 -1.166 764 QA GLY 70 QA GLY 70 13.129 11.067 -0.659 765 H LEU 71 H LEU 71 11.858 8.878 1.330 766 HA LEU 71 HA LEU 71 9.731 10.727 2.193 767 1HB LEU 71 1HB LEU 71 9.441 8.249 1.485 768 2HB LEU 71 2HB LEU 71 9.990 7.844 3.105 769 HG LEU 71 HG LEU 71 7.718 9.820 2.547 770 1HD1 LEU 71 3HD1 LEU 71 7.527 6.819 2.933 771 2HD1 LEU 71 1HD1 LEU 71 6.144 7.940 2.961 772 3HD1 LEU 71 2HD1 LEU 71 7.094 7.743 1.476 773 1HD2 LEU 71 3HD2 LEU 71 8.365 8.150 5.013 774 2HD2 LEU 71 1HD2 LEU 71 8.580 9.904 4.859 775 3HD2 LEU 71 2HD2 LEU 71 6.955 9.219 4.827 776 QB LEU 71 QB LEU 71 9.716 8.047 2.295 777 QD1 LEU 71 QD1 LEU 71 6.921 7.500 2.456 778 QD2 LEU 71 QD2 LEU 71 7.967 9.091 4.900 779 QQD LEU 71 QQD LEU 71 7.444 8.296 3.678 780 H LYS 72 H LYS 72 11.195 12.181 3.180 781 HA LYS 72 HA LYS 72 13.013 11.417 5.213 782 1HB LYS 72 1HB LYS 72 13.289 13.401 3.872 783 2HB LYS 72 2HB LYS 72 11.764 14.083 4.405 784 1HG LYS 72 1HG LYS 72 13.876 13.508 6.492 785 2HG LYS 72 2HG LYS 72 14.124 14.858 5.385 786 1HD LYS 72 1HD LYS 72 12.027 15.894 5.988 787 2HD LYS 72 2HD LYS 72 11.566 14.558 7.039 788 1HE LYS 72 1HE LYS 72 14.059 16.251 7.446 789 2HE LYS 72 2HE LYS 72 12.483 16.616 8.164 790 1HZ LYS 72 1HZ LYS 72 12.557 14.530 9.333 791 2HZ LYS 72 2HZ LYS 72 14.046 14.151 8.699 792 3HZ LYS 72 3HZ LYS 72 13.863 15.461 9.669 793 QB LYS 72 QB LYS 72 12.526 13.742 4.138 794 QG LYS 72 QG LYS 72 14.000 14.183 5.938 795 QD LYS 72 QD LYS 72 11.797 15.226 6.513 796 QE LYS 72 QE LYS 72 13.271 16.434 7.805 797 QZ LYS 72 QZ LYS 72 13.489 14.714 9.234 798 H GLY 73 H GLY 73 9.652 12.268 5.343 799 1HA GLY 73 1HA GLY 73 8.701 11.071 7.540 800 2HA GLY 73 2HA GLY 73 9.456 12.537 8.222 801 QA GLY 73 QA GLY 73 9.079 11.804 7.881 802 H SER 74 H SER 74 7.040 12.812 8.656 803 HA SER 74 HA SER 74 5.045 13.970 8.181 804 1HB SER 74 1HB SER 74 7.488 15.748 8.002 805 2HB SER 74 2HB SER 74 5.851 16.312 8.395 806 HG SER 74 HG SER 74 6.927 15.850 10.285 807 QB SER 74 QB SER 74 6.669 16.030 8.198 808 H GLY 75 H GLY 75 5.802 16.558 6.401 809 1HA GLY 75 1HA GLY 75 5.702 15.350 3.765 810 2HA GLY 75 2HA GLY 75 4.383 16.491 4.106 811 QA GLY 75 QA GLY 75 5.042 15.921 3.936 812 H CYS 76 H CYS 76 5.324 18.467 5.505 813 HA CYS 76 HA CYS 76 7.607 19.722 4.194 814 1HB CYS 76 1HB CYS 76 7.172 21.327 6.259 815 2HB CYS 76 2HB CYS 76 6.120 21.352 4.844 816 HG CYS 76 HG CYS 76 4.698 21.719 6.921 817 QB CYS 76 QB CYS 76 6.646 21.339 5.552 No H/Q in entry = 817 Start of MODEL 17 1 H MET 0 H MET 0 10.046 -6.172 2.022 2 HA MET 0 HA MET 0 8.035 -6.791 0.956 3 1HB MET 0 1HB MET 0 8.024 -9.178 1.742 4 2HB MET 0 2HB MET 0 7.588 -8.619 3.356 5 1HG MET 0 1HG MET 0 5.672 -7.531 1.484 6 2HG MET 0 2HG MET 0 5.889 -9.238 1.137 7 1HE MET 0 2HE MET 0 4.814 -6.553 3.773 8 2HE MET 0 3HE MET 0 3.456 -7.089 2.746 9 3HE MET 0 1HE MET 0 3.444 -7.426 4.485 10 QB MET 0 QB MET 0 7.806 -8.899 2.549 11 QG MET 0 QG MET 0 5.781 -8.385 1.311 12 QE MET 0 QE MET 0 3.905 -7.023 3.668 13 H GLY 1 H GLY 1 7.970 -6.409 4.578 14 1HA GLY 1 1HA GLY 1 6.275 -4.052 4.165 15 2HA GLY 1 2HA GLY 1 7.037 -4.565 5.659 16 QA GLY 1 QA GLY 1 6.656 -4.308 4.912 17 H LYS 2 H LYS 2 8.407 -3.831 2.347 18 HA LYS 2 HA LYS 2 9.648 -1.418 3.441 19 1HB LYS 2 1HB LYS 2 11.093 -3.873 2.461 20 2HB LYS 2 2HB LYS 2 11.624 -2.341 1.818 21 1HG LYS 2 1HG LYS 2 11.443 -2.998 4.781 22 2HG LYS 2 2HG LYS 2 12.889 -3.188 3.799 23 1HD LYS 2 1HD LYS 2 13.442 -1.145 4.501 24 2HD LYS 2 2HD LYS 2 12.311 -0.552 3.282 25 1HE LYS 2 1HE LYS 2 10.512 -0.499 5.030 26 2HE LYS 2 2HE LYS 2 11.682 -1.106 6.226 27 1HZ LYS 2 1HZ LYS 2 11.941 1.417 4.731 28 2HZ LYS 2 2HZ LYS 2 11.384 1.335 6.242 29 3HZ LYS 2 3HZ LYS 2 12.959 0.908 5.904 30 QB LYS 2 QB LYS 2 11.359 -3.107 2.140 31 QG LYS 2 QG LYS 2 12.166 -3.093 4.290 32 QD LYS 2 QD LYS 2 12.877 -0.849 3.892 33 QE LYS 2 QE LYS 2 11.097 -0.803 5.628 34 QZ LYS 2 QZ LYS 2 12.095 1.220 5.625 35 H ASP 3 H ASP 3 10.266 -0.037 1.713 36 HA ASP 3 HA ASP 3 9.728 1.285 0.056 37 1HB ASP 3 1HB ASP 3 10.250 -0.296 -1.686 38 2HB ASP 3 2HB ASP 3 8.705 -1.124 -1.489 39 QB ASP 3 QB ASP 3 9.478 -0.710 -1.587 40 H TYR 4 H TYR 4 7.011 -0.971 -0.133 41 HA TYR 4 HA TYR 4 4.920 -0.346 1.344 42 1HB TYR 4 1HB TYR 4 5.379 2.075 -0.363 43 2HB TYR 4 2HB TYR 4 3.761 1.583 0.092 44 HD1 TYR 4 1HD TYR 4 5.004 0.698 3.115 45 HD2 TYR 4 2HD TYR 4 4.871 4.241 0.639 46 HE1 TYR 4 1HE TYR 4 4.994 2.080 5.114 47 HE2 TYR 4 2HE TYR 4 4.945 5.633 2.680 48 HH TYR 4 HH TYR 4 4.839 4.202 5.966 49 QB TYR 4 QB TYR 4 4.570 1.829 -0.136 50 QG TYR 4 QD TYR 4 4.938 2.469 1.877 51 QZ TYR 4 QE TYR 4 4.970 3.857 3.897 52 QR TYR 4 QR TYR 4 4.954 3.163 2.887 53 H TYR 5 H TYR 5 6.032 -0.152 -2.047 54 HA TYR 5 HA TYR 5 3.850 -1.150 -3.426 55 1HB TYR 5 1HB TYR 5 6.867 -1.410 -3.696 56 2HB TYR 5 2HB TYR 5 5.846 -2.338 -4.738 57 HD1 TYR 5 1HD TYR 5 3.626 -0.242 -5.262 58 HD2 TYR 5 2HD TYR 5 7.936 -0.173 -5.441 59 HE1 TYR 5 1HE TYR 5 3.512 1.532 -6.958 60 HE2 TYR 5 2HE TYR 5 7.817 1.530 -7.257 61 HH TYR 5 HH TYR 5 4.696 2.861 -8.445 62 QB TYR 5 QB TYR 5 6.357 -1.874 -4.217 63 QG TYR 5 QD TYR 5 5.781 -0.207 -5.351 64 QZ TYR 5 QE TYR 5 5.665 1.531 -7.108 65 QR TYR 5 QR TYR 5 5.723 0.662 -6.229 66 H GLN 6 H GLN 6 6.563 -3.200 -2.181 67 HA GLN 6 HA GLN 6 5.086 -5.571 -2.623 68 1HB GLN 6 1HB GLN 6 7.634 -5.195 -2.368 69 2HB GLN 6 2HB GLN 6 7.363 -5.391 -0.640 70 1HG GLN 6 1HG GLN 6 6.363 -7.632 -1.038 71 2HG GLN 6 2HG GLN 6 6.528 -7.410 -2.785 72 1HE2 GLN 6 2HE2 GLN 6 9.914 -8.459 -2.813 73 2HE2 GLN 6 1HE2 GLN 6 8.467 -8.070 -3.746 74 QB GLN 6 QB GLN 6 7.499 -5.293 -1.504 75 QG GLN 6 QG GLN 6 6.446 -7.521 -1.911 76 QE2 GLN 6 QE2 GLN 6 9.191 -8.264 -3.279 77 H THR 7 H THR 7 5.161 -3.390 0.166 78 HA THR 7 HA THR 7 4.072 -5.138 2.040 79 HB THR 7 HB THR 7 3.302 -2.203 1.849 80 HG1 THR 7 1HG THR 7 5.286 -1.914 3.068 81 1HG2 THR 7 2HG2 THR 7 3.892 -4.113 4.161 82 2HG2 THR 7 3HG2 THR 7 3.596 -2.374 4.336 83 3HG2 THR 7 1HG2 THR 7 2.312 -3.432 3.722 84 QG2 THR 7 QG2 THR 7 3.267 -3.306 4.073 85 H LEU 8 H LEU 8 2.594 -3.582 -0.692 86 HA LEU 8 HA LEU 8 -0.074 -4.780 -0.086 87 1HB LEU 8 1HB LEU 8 0.312 -2.226 -0.579 88 2HB LEU 8 2HB LEU 8 0.550 -2.762 -2.235 89 HG LEU 8 HG LEU 8 -1.814 -3.901 -1.985 90 1HD1 LEU 8 1HD1 LEU 8 -1.865 -1.946 0.354 91 2HD1 LEU 8 2HD1 LEU 8 -3.266 -2.818 -0.298 92 3HD1 LEU 8 3HD1 LEU 8 -1.942 -3.709 0.471 93 1HD2 LEU 8 2HD2 LEU 8 -1.346 -1.818 -3.316 94 2HD2 LEU 8 3HD2 LEU 8 -2.957 -1.909 -2.625 95 3HD2 LEU 8 1HD2 LEU 8 -1.754 -0.865 -1.868 96 QB LEU 8 QB LEU 8 0.431 -2.494 -1.407 97 QD1 LEU 8 QD1 LEU 8 -2.358 -2.824 0.176 98 QD2 LEU 8 QD2 LEU 8 -2.019 -1.531 -2.603 99 QQD LEU 8 QQD LEU 8 -2.188 -2.178 -1.214 100 H GLY 9 H GLY 9 2.652 -5.803 -1.415 101 1HA GLY 9 1HA GLY 9 2.907 -7.800 -2.453 102 2HA GLY 9 2HA GLY 9 1.252 -7.737 -3.047 103 QA GLY 9 QA GLY 9 2.080 -7.768 -2.750 104 H LEU 10 H LEU 10 2.831 -4.827 -3.968 105 HA LEU 10 HA LEU 10 3.034 -5.923 -6.750 106 1HB LEU 10 1HB LEU 10 2.760 -3.025 -5.943 107 2HB LEU 10 2HB LEU 10 2.632 -3.743 -7.542 108 HG LEU 10 HG LEU 10 0.655 -5.092 -5.995 109 1HD1 LEU 10 1HD1 LEU 10 0.899 -3.281 -4.342 110 2HD1 LEU 10 2HD1 LEU 10 0.606 -2.062 -5.604 111 3HD1 LEU 10 3HD1 LEU 10 -0.671 -3.201 -5.146 112 1HD2 LEU 10 1HD2 LEU 10 0.618 -4.535 -8.407 113 2HD2 LEU 10 2HD2 LEU 10 -0.860 -4.087 -7.558 114 3HD2 LEU 10 3HD2 LEU 10 0.325 -2.829 -7.997 115 QB LEU 10 QB LEU 10 2.696 -3.384 -6.743 116 QD1 LEU 10 QD1 LEU 10 0.278 -2.848 -5.031 117 QD2 LEU 10 QD2 LEU 10 0.027 -3.817 -7.987 118 QQD LEU 10 QQD LEU 10 0.153 -3.332 -6.509 119 H ALA 11 H ALA 11 4.611 -4.497 -8.139 120 HA ALA 11 HA ALA 11 6.317 -2.597 -7.049 121 1HB ALA 11 1HB ALA 11 7.716 -5.232 -7.670 122 2HB ALA 11 2HB ALA 11 8.543 -3.685 -7.395 123 3HB ALA 11 3HB ALA 11 7.647 -4.434 -6.077 124 QB ALA 11 QB ALA 11 7.969 -4.450 -7.047 125 H ARG 12 H ARG 12 7.849 -1.819 -8.640 126 HA ARG 12 HA ARG 12 8.390 -1.106 -10.829 127 1HB ARG 12 1HB ARG 12 9.395 -3.851 -10.118 128 2HB ARG 12 2HB ARG 12 9.756 -3.238 -11.724 129 1HG ARG 12 1HG ARG 12 11.523 -2.808 -10.017 130 2HG ARG 12 2HG ARG 12 10.991 -1.411 -10.947 131 1HD ARG 12 1HD ARG 12 9.720 -0.524 -9.095 132 2HD ARG 12 2HD ARG 12 9.981 -2.000 -8.158 133 HE ARG 12 HE ARG 12 12.303 -1.518 -7.988 134 1HH1 ARG 12 2HH2 ARG 12 10.576 1.281 -9.350 135 2HH1 ARG 12 1HH2 ARG 12 11.655 2.439 -8.640 136 1HH2 ARG 12 2HH1 ARG 12 13.795 -0.052 -7.317 137 2HH2 ARG 12 1HH1 ARG 12 13.485 1.660 -7.268 138 QB ARG 12 QB ARG 12 9.576 -3.544 -10.921 139 QG ARG 12 QG ARG 12 11.257 -2.110 -10.482 140 QD ARG 12 QD ARG 12 9.851 -1.262 -8.626 141 QH1 ARG 12 QH2 ARG 12 11.115 1.860 -8.995 142 QH2 ARG 12 QH1 ARG 12 13.640 0.804 -7.293 143 H GLY 13 H GLY 13 6.092 -1.064 -11.211 144 1HA GLY 13 1HA GLY 13 5.004 -1.156 -13.595 145 2HA GLY 13 2HA GLY 13 5.183 -2.901 -13.393 146 QA GLY 13 QA GLY 13 5.093 -2.028 -13.494 147 H ALA 14 H ALA 14 4.518 -0.935 -10.554 148 HA ALA 14 HA ALA 14 1.873 -2.160 -10.158 149 1HB ALA 14 1HB ALA 14 3.515 -1.878 -8.277 150 2HB ALA 14 2HB ALA 14 3.500 -0.144 -8.573 151 3HB ALA 14 3HB ALA 14 2.016 -0.944 -8.008 152 QB ALA 14 QB ALA 14 3.010 -0.989 -8.286 153 H SER 15 H SER 15 0.944 -1.202 -12.164 154 HA SER 15 HA SER 15 0.673 1.665 -12.399 155 1HB SER 15 1HB SER 15 -1.215 0.917 -13.990 156 2HB SER 15 2HB SER 15 0.430 0.426 -14.411 157 HG SER 15 HG SER 15 -0.894 -1.375 -14.593 158 QB SER 15 QB SER 15 -0.393 0.672 -14.200 159 H ASP 16 H ASP 16 -1.273 2.746 -12.339 160 HA ASP 16 HA ASP 16 -2.383 2.957 -9.858 161 1HB ASP 16 1HB ASP 16 -4.200 4.287 -11.138 162 2HB ASP 16 2HB ASP 16 -2.522 4.779 -11.411 163 QB ASP 16 QB ASP 16 -3.361 4.533 -11.274 164 H GLU 17 H GLU 17 -3.730 1.097 -12.654 165 HA GLU 17 HA GLU 17 -6.130 0.393 -11.203 166 1HB GLU 17 1HB GLU 17 -5.718 0.403 -13.767 167 2HB GLU 17 2HB GLU 17 -4.915 -1.148 -13.518 168 1HG GLU 17 1HG GLU 17 -7.029 -1.967 -13.843 169 2HG GLU 17 2HG GLU 17 -7.262 -1.616 -12.148 170 QB GLU 17 QB GLU 17 -5.316 -0.372 -13.643 171 QG GLU 17 QG GLU 17 -7.146 -1.791 -12.996 172 H GLU 18 H GLU 18 -2.818 -0.876 -11.164 173 HA GLU 18 HA GLU 18 -3.699 -3.605 -10.544 174 1HB GLU 18 1HB GLU 18 -1.393 -2.341 -11.685 175 2HB GLU 18 2HB GLU 18 -0.859 -3.000 -10.160 176 1HG GLU 18 1HG GLU 18 -2.277 -4.528 -12.389 177 2HG GLU 18 2HG GLU 18 -0.552 -4.591 -12.023 178 QB GLU 18 QB GLU 18 -1.126 -2.671 -10.923 179 QG GLU 18 QG GLU 18 -1.414 -4.560 -12.206 180 H ILE 19 H ILE 19 -2.345 -0.642 -9.166 181 HA ILE 19 HA ILE 19 -2.270 -1.354 -6.438 182 HB ILE 19 HB ILE 19 -2.502 1.234 -7.958 183 1HG1 ILE 19 1HG1 ILE 19 -0.442 0.004 -6.072 184 2HG1 ILE 19 2HG1 ILE 19 -0.347 0.021 -7.835 185 1HG2 ILE 19 2HG2 ILE 19 -3.889 1.547 -5.869 186 2HG2 ILE 19 3HG2 ILE 19 -2.458 1.092 -4.913 187 3HG2 ILE 19 1HG2 ILE 19 -2.468 2.540 -5.954 188 1HD1 ILE 19 1HD1 ILE 19 -0.279 2.520 -7.763 189 2HD1 ILE 19 2HD1 ILE 19 -0.215 2.426 -5.993 190 3HD1 ILE 19 3HD1 ILE 19 1.091 1.733 -6.957 191 QG1 ILE 19 QG1 ILE 19 -0.395 0.013 -6.953 192 QG2 ILE 19 QG2 ILE 19 -2.938 1.726 -5.579 193 QD1 ILE 19 QD1 ILE 19 0.199 2.227 -6.904 194 H LYS 20 H LYS 20 -4.900 0.432 -8.234 195 HA LYS 20 HA LYS 20 -6.751 0.303 -6.140 196 1HB LYS 20 1HB LYS 20 -7.052 0.559 -9.146 197 2HB LYS 20 2HB LYS 20 -8.448 0.655 -8.073 198 1HG LYS 20 1HG LYS 20 -7.778 2.644 -7.071 199 2HG LYS 20 2HG LYS 20 -6.070 2.399 -7.424 200 1HD LYS 20 1HD LYS 20 -7.046 4.249 -8.721 201 2HD LYS 20 2HD LYS 20 -6.340 2.989 -9.742 202 1HE LYS 20 1HE LYS 20 -8.621 2.032 -10.111 203 2HE LYS 20 2HE LYS 20 -9.305 3.374 -9.163 204 1HZ LYS 20 1HZ LYS 20 -8.249 4.876 -10.825 205 2HZ LYS 20 2HZ LYS 20 -7.822 3.602 -11.728 206 3HZ LYS 20 3HZ LYS 20 -9.415 3.898 -11.470 207 QB LYS 20 QB LYS 20 -7.750 0.607 -8.610 208 QG LYS 20 QG LYS 20 -6.924 2.521 -7.247 209 QD LYS 20 QD LYS 20 -6.693 3.619 -9.231 210 QE LYS 20 QE LYS 20 -8.963 2.703 -9.637 211 QZ LYS 20 QZ LYS 20 -8.496 4.126 -11.341 212 H ARG 21 H ARG 21 -6.018 -2.251 -8.465 213 HA ARG 21 HA ARG 21 -8.182 -3.993 -7.637 214 1HB ARG 21 1HB ARG 21 -6.757 -4.049 -9.801 215 2HB ARG 21 2HB ARG 21 -5.491 -4.758 -8.855 216 1HG ARG 21 1HG ARG 21 -6.571 -6.637 -9.768 217 2HG ARG 21 2HG ARG 21 -7.338 -6.543 -8.168 218 1HD ARG 21 1HD ARG 21 -9.151 -5.100 -9.291 219 2HD ARG 21 2HD ARG 21 -8.388 -5.499 -10.824 220 HE ARG 21 HE ARG 21 -8.957 -7.775 -10.582 221 1HH1 ARG 21 2HH2 ARG 21 -10.708 -5.600 -8.275 222 2HH1 ARG 21 1HH2 ARG 21 -11.846 -6.845 -7.866 223 1HH2 ARG 21 2HH1 ARG 21 -10.667 -9.276 -10.106 224 2HH2 ARG 21 1HH1 ARG 21 -12.039 -8.725 -9.197 225 QB ARG 21 QB ARG 21 -6.124 -4.404 -9.328 226 QG ARG 21 QG ARG 21 -6.955 -6.590 -8.968 227 QD ARG 21 QD ARG 21 -8.770 -5.299 -10.058 228 QH1 ARG 21 QH2 ARG 21 -11.277 -6.223 -8.070 229 QH2 ARG 21 QH1 ARG 21 -11.353 -9.001 -9.651 230 H ALA 22 H ALA 22 -4.709 -3.808 -6.880 231 HA ALA 22 HA ALA 22 -4.558 -5.914 -4.989 232 1HB ALA 22 1HB ALA 22 -2.890 -3.383 -5.175 233 2HB ALA 22 2HB ALA 22 -2.499 -4.802 -4.181 234 3HB ALA 22 3HB ALA 22 -2.530 -4.947 -5.940 235 QB ALA 22 QB ALA 22 -2.640 -4.377 -5.099 236 H TYR 23 H TYR 23 -4.888 -2.352 -4.280 237 HA TYR 23 HA TYR 23 -5.116 -2.507 -1.533 238 1HB TYR 23 1HB TYR 23 -4.743 -0.421 -2.072 239 2HB TYR 23 2HB TYR 23 -5.177 -0.621 -3.730 240 HD1 TYR 23 1HD TYR 23 -7.784 -0.829 -4.158 241 HD2 TYR 23 2HD TYR 23 -5.787 1.469 -1.112 242 HE1 TYR 23 1HE TYR 23 -9.717 0.707 -4.077 243 HE2 TYR 23 2HE TYR 23 -7.694 3.050 -1.074 244 HH TYR 23 HH TYR 23 -9.818 3.533 -1.940 245 QB TYR 23 QB TYR 23 -4.960 -0.521 -2.901 246 QG TYR 23 QD TYR 23 -6.786 0.320 -2.635 247 QZ TYR 23 QE TYR 23 -8.705 1.879 -2.575 248 QR TYR 23 QR TYR 23 -7.745 1.099 -2.605 249 H ARG 24 H ARG 24 -7.665 -3.019 -3.986 250 HA ARG 24 HA ARG 24 -9.601 -3.181 -1.766 251 1HB ARG 24 1HB ARG 24 -9.839 -2.087 -4.274 252 2HB ARG 24 2HB ARG 24 -10.645 -3.650 -4.490 253 1HG ARG 24 1HG ARG 24 -12.102 -3.179 -2.576 254 2HG ARG 24 2HG ARG 24 -11.173 -1.739 -2.151 255 1HD ARG 24 1HD ARG 24 -13.269 -1.117 -3.235 256 2HD ARG 24 2HD ARG 24 -11.857 -0.568 -4.135 257 HE ARG 24 HE ARG 24 -12.546 -1.776 -5.923 258 1HH1 ARG 24 2HH2 ARG 24 -14.193 -3.107 -3.050 259 2HH1 ARG 24 1HH2 ARG 24 -15.212 -4.159 -3.922 260 1HH2 ARG 24 2HH1 ARG 24 -13.784 -3.255 -7.096 261 2HH2 ARG 24 1HH1 ARG 24 -14.875 -4.364 -6.319 262 QB ARG 24 QB ARG 24 -10.242 -2.869 -4.382 263 QG ARG 24 QG ARG 24 -11.637 -2.459 -2.364 264 QD ARG 24 QD ARG 24 -12.563 -0.843 -3.685 265 QH1 ARG 24 QH2 ARG 24 -14.702 -3.633 -3.486 266 QH2 ARG 24 QH1 ARG 24 -14.330 -3.810 -6.708 267 H ARG 25 H ARG 25 -7.490 -5.346 -3.044 268 HA ARG 25 HA ARG 25 -9.206 -7.593 -2.085 269 1HB ARG 25 1HB ARG 25 -6.528 -7.584 -3.546 270 2HB ARG 25 2HB ARG 25 -7.222 -9.012 -2.787 271 1HG ARG 25 1HG ARG 25 -8.587 -7.437 -5.018 272 2HG ARG 25 2HG ARG 25 -7.618 -8.894 -5.244 273 1HD ARG 25 1HD ARG 25 -9.205 -10.132 -3.714 274 2HD ARG 25 2HD ARG 25 -10.214 -8.690 -3.677 275 HE ARG 25 HE ARG 25 -10.757 -8.925 -5.936 276 1HH1 ARG 25 2HH2 ARG 25 -8.781 -11.754 -4.910 277 2HH1 ARG 25 1HH2 ARG 25 -9.704 -12.843 -5.902 278 1HH2 ARG 25 2HH1 ARG 25 -11.622 -10.340 -7.459 279 2HH2 ARG 25 1HH1 ARG 25 -10.953 -11.946 -7.651 280 QB ARG 25 QB ARG 25 -6.875 -8.298 -3.166 281 QG ARG 25 QG ARG 25 -8.103 -8.166 -5.131 282 QD ARG 25 QD ARG 25 -9.709 -9.411 -3.696 283 QH1 ARG 25 QH2 ARG 25 -9.242 -12.298 -5.406 284 QH2 ARG 25 QH1 ARG 25 -11.287 -11.143 -7.555 285 H GLN 26 H GLN 26 -6.004 -5.990 -1.561 286 HA GLN 26 HA GLN 26 -5.265 -7.496 0.633 287 1HB GLN 26 1HB GLN 26 -4.402 -4.946 -0.681 288 2HB GLN 26 2HB GLN 26 -3.970 -5.067 0.988 289 1HG GLN 26 1HG GLN 26 -2.162 -5.933 -0.390 290 2HG GLN 26 2HG GLN 26 -2.825 -7.201 0.626 291 1HE2 GLN 26 2HE2 GLN 26 -2.413 -8.053 -3.177 292 2HE2 GLN 26 1HE2 GLN 26 -1.662 -6.648 -2.482 293 QB GLN 26 QB GLN 26 -4.186 -5.006 0.153 294 QG GLN 26 QG GLN 26 -2.494 -6.567 0.118 295 QE2 GLN 26 QE2 GLN 26 -2.038 -7.351 -2.829 296 H ALA 27 H ALA 27 -7.026 -4.309 0.707 297 HA ALA 27 HA ALA 27 -7.071 -4.231 3.581 298 1HB ALA 27 2HB ALA 27 -9.049 -3.144 1.522 299 2HB ALA 27 3HB ALA 27 -9.180 -2.881 3.273 300 3HB ALA 27 1HB ALA 27 -7.776 -2.273 2.423 301 QB ALA 27 QB ALA 27 -8.669 -2.766 2.406 302 H LEU 28 H LEU 28 -9.236 -5.748 1.142 303 HA LEU 28 HA LEU 28 -11.293 -6.502 2.921 304 1HB LEU 28 1HB LEU 28 -10.527 -6.706 0.067 305 2HB LEU 28 2HB LEU 28 -11.194 -8.203 0.648 306 HG LEU 28 HG LEU 28 -13.161 -6.852 1.605 307 1HD1 LEU 28 3HD1 LEU 28 -11.882 -4.692 -0.139 308 2HD1 LEU 28 1HD1 LEU 28 -13.478 -4.598 0.603 309 3HD1 LEU 28 2HD1 LEU 28 -12.049 -4.635 1.629 310 1HD2 LEU 28 3HD2 LEU 28 -12.696 -6.766 -1.402 311 2HD2 LEU 28 1HD2 LEU 28 -13.346 -8.143 -0.488 312 3HD2 LEU 28 2HD2 LEU 28 -14.265 -6.626 -0.581 313 QB LEU 28 QB LEU 28 -10.860 -7.455 0.357 314 QD1 LEU 28 QD1 LEU 28 -12.470 -4.642 0.698 315 QD2 LEU 28 QD2 LEU 28 -13.435 -7.178 -0.824 316 QQD LEU 28 QQD LEU 28 -12.952 -5.910 -0.063 317 H ARG 29 H ARG 29 -8.382 -8.120 1.772 318 HA ARG 29 HA ARG 29 -8.702 -10.743 2.710 319 1HB ARG 29 1HB ARG 29 -7.041 -10.072 1.084 320 2HB ARG 29 2HB ARG 29 -6.340 -8.903 2.163 321 1HG ARG 29 1HG ARG 29 -4.903 -10.837 1.881 322 2HG ARG 29 2HG ARG 29 -5.361 -10.551 3.557 323 1HD ARG 29 1HD ARG 29 -5.328 -12.962 2.846 324 2HD ARG 29 2HD ARG 29 -6.810 -12.398 3.625 325 HE ARG 29 HE ARG 29 -6.671 -12.351 0.668 326 1HH1 ARG 29 2HH2 ARG 29 -7.742 -14.208 3.507 327 2HH1 ARG 29 1HH2 ARG 29 -9.211 -14.758 2.781 328 1HH2 ARG 29 2HH1 ARG 29 -8.570 -13.105 -0.333 329 2HH2 ARG 29 1HH1 ARG 29 -9.611 -14.250 0.471 330 QB ARG 29 QB ARG 29 -6.690 -9.487 1.624 331 QG ARG 29 QG ARG 29 -5.132 -10.694 2.719 332 QD ARG 29 QD ARG 29 -6.069 -12.680 3.236 333 QH1 ARG 29 QH2 ARG 29 -8.476 -14.483 3.144 334 QH2 ARG 29 QH1 ARG 29 -9.091 -13.677 0.069 335 H TYR 30 H TYR 30 -7.047 -7.928 4.294 336 HA TYR 30 HA TYR 30 -6.791 -9.565 6.739 337 1HB TYR 30 1HB TYR 30 -5.777 -6.863 5.837 338 2HB TYR 30 2HB TYR 30 -5.581 -7.420 7.500 339 HD1 TYR 30 1HD TYR 30 -4.628 -8.090 3.968 340 HD2 TYR 30 2HD TYR 30 -3.929 -9.046 8.115 341 HE1 TYR 30 1HE TYR 30 -2.570 -9.286 3.331 342 HE2 TYR 30 2HE TYR 30 -1.876 -10.276 7.478 343 HH TYR 30 HH TYR 30 -0.547 -11.025 5.707 344 QB TYR 30 QB TYR 30 -5.679 -7.142 6.669 345 QG TYR 30 QD TYR 30 -4.278 -8.568 6.041 346 QZ TYR 30 QE TYR 30 -2.223 -9.781 5.404 347 QR TYR 30 QR TYR 30 -3.251 -9.175 5.723 348 H HIS 31 H HIS 31 -9.237 -7.504 5.518 349 HA HIS 31 HA HIS 31 -9.543 -5.597 7.267 350 1HB HIS 31 1HB HIS 31 -11.082 -6.661 5.182 351 2HB HIS 31 2HB HIS 31 -12.133 -6.721 6.571 352 HD1 HIS 31 1HD HIS 31 -12.866 -4.324 7.710 353 HD2 HIS 31 2HD HIS 31 -11.063 -4.400 3.953 354 HE1 HIS 31 1HE HIS 31 -13.077 -2.026 6.871 355 QB HIS 31 QB HIS 31 -11.608 -6.691 5.877 356 HA PRO 32 HA PRO 32 -10.030 -7.899 10.948 357 1HB PRO 32 1HB PRO 32 -10.364 -5.938 12.807 358 2HB PRO 32 2HB PRO 32 -8.848 -6.164 11.874 359 1HG PRO 32 1HG PRO 32 -11.133 -4.248 11.253 360 2HG PRO 32 2HG PRO 32 -9.388 -3.866 11.413 361 1HD PRO 32 1HD PRO 32 -10.457 -4.348 8.987 362 2HD PRO 32 2HD PRO 32 -8.846 -5.017 9.416 363 QB PRO 32 QB PRO 32 -9.606 -6.051 12.340 364 QG PRO 32 QG PRO 32 -10.260 -4.057 11.333 365 QD PRO 32 QD PRO 32 -9.651 -4.682 9.201 366 H ASP 33 H ASP 33 -12.650 -6.095 9.654 367 HA ASP 33 HA ASP 33 -14.618 -7.279 11.503 368 1HB ASP 33 1HB ASP 33 -16.040 -5.558 10.900 369 2HB ASP 33 2HB ASP 33 -14.490 -4.747 10.703 370 QB ASP 33 QB ASP 33 -15.265 -5.153 10.801 371 H LYS 34 H LYS 34 -13.394 -7.491 8.173 372 HA LYS 34 HA LYS 34 -15.826 -8.949 7.278 373 1HB LYS 34 1HB LYS 34 -14.848 -7.319 5.667 374 2HB LYS 34 2HB LYS 34 -13.301 -8.159 5.794 375 1HG LYS 34 1HG LYS 34 -13.951 -10.110 4.743 376 2HG LYS 34 2HG LYS 34 -15.670 -9.664 4.830 377 1HD LYS 34 1HD LYS 34 -15.001 -7.643 3.330 378 2HD LYS 34 2HD LYS 34 -13.515 -8.564 3.022 379 1HE LYS 34 1HE LYS 34 -16.400 -9.414 2.492 380 2HE LYS 34 2HE LYS 34 -15.195 -9.007 1.272 381 1HZ LYS 34 3HZ LYS 34 -13.938 -10.976 2.005 382 2HZ LYS 34 1HZ LYS 34 -15.078 -11.322 3.117 383 3HZ LYS 34 2HZ LYS 34 -15.504 -11.369 1.539 384 QB LYS 34 QB LYS 34 -14.075 -7.739 5.730 385 QG LYS 34 QG LYS 34 -14.811 -9.887 4.786 386 QD LYS 34 QD LYS 34 -14.258 -8.103 3.176 387 QE LYS 34 QE LYS 34 -15.797 -9.210 1.882 388 QZ LYS 34 QZ LYS 34 -14.840 -11.223 2.221 389 H ASN 35 H ASN 35 -12.328 -9.566 7.821 390 HA ASN 35 HA ASN 35 -12.716 -12.450 7.200 391 1HB ASN 35 1HB ASN 35 -10.737 -11.102 6.249 392 2HB ASN 35 2HB ASN 35 -10.128 -11.016 7.904 393 1HD2 ASN 35 2HD2 ASN 35 -8.249 -13.778 6.648 394 2HD2 ASN 35 1HD2 ASN 35 -8.436 -12.095 6.276 395 QB ASN 35 QB ASN 35 -10.433 -11.059 7.077 396 QD2 ASN 35 QD2 ASN 35 -8.342 -12.936 6.462 397 H LYS 36 H LYS 36 -11.787 -10.180 9.781 398 HA LYS 36 HA LYS 36 -11.369 -10.404 11.996 399 1HB LYS 36 1HB LYS 36 -13.548 -12.396 11.619 400 2HB LYS 36 2HB LYS 36 -12.901 -12.017 13.214 401 1HG LYS 36 1HG LYS 36 -13.631 -9.787 13.144 402 2HG LYS 36 2HG LYS 36 -14.027 -9.863 11.407 403 1HD LYS 36 1HD LYS 36 -15.891 -11.273 11.777 404 2HD LYS 36 2HD LYS 36 -15.338 -11.714 13.402 405 1HE LYS 36 1HE LYS 36 -15.809 -9.501 14.270 406 2HE LYS 36 2HE LYS 36 -16.208 -8.896 12.651 407 1HZ LYS 36 1HZ LYS 36 -17.707 -11.063 13.997 408 2HZ LYS 36 2HZ LYS 36 -18.169 -9.477 13.998 409 3HZ LYS 36 3HZ LYS 36 -18.096 -10.294 12.586 410 QB LYS 36 QB LYS 36 -13.224 -12.207 12.417 411 QG LYS 36 QG LYS 36 -13.829 -9.825 12.275 412 QD LYS 36 QD LYS 36 -15.615 -11.493 12.590 413 QE LYS 36 QE LYS 36 -16.009 -9.198 13.460 414 QZ LYS 36 QZ LYS 36 -17.991 -10.278 13.527 415 H GLU 37 H GLU 37 -9.314 -11.286 10.746 416 HA GLU 37 HA GLU 37 -8.641 -14.058 11.136 417 1HB GLU 37 1HB GLU 37 -7.817 -11.985 9.473 418 2HB GLU 37 2HB GLU 37 -6.439 -12.311 10.523 419 1HG GLU 37 1HG GLU 37 -6.860 -14.809 9.929 420 2HG GLU 37 2HG GLU 37 -7.933 -14.219 8.700 421 QB GLU 37 QB GLU 37 -7.128 -12.148 9.998 422 QG GLU 37 QG GLU 37 -7.396 -14.514 9.314 423 HA PRO 38 HA PRO 38 -6.786 -13.418 15.193 424 1HB PRO 38 1HB PRO 38 -4.468 -14.773 15.367 425 2HB PRO 38 2HB PRO 38 -5.978 -15.594 14.912 426 1HG PRO 38 1HG PRO 38 -3.826 -14.543 13.046 427 2HG PRO 38 2HG PRO 38 -4.563 -16.180 13.082 428 1HD PRO 38 1HD PRO 38 -5.414 -14.147 11.446 429 2HD PRO 38 2HD PRO 38 -6.521 -15.419 12.057 430 QB PRO 38 QB PRO 38 -5.223 -15.183 15.140 431 QG PRO 38 QG PRO 38 -4.194 -15.362 13.064 432 QD PRO 38 QD PRO 38 -5.968 -14.783 11.751 433 H GLY 39 H GLY 39 -3.879 -13.087 15.737 434 1HA GLY 39 1HA GLY 39 -3.499 -10.358 15.757 435 2HA GLY 39 2HA GLY 39 -2.194 -11.530 15.881 436 QA GLY 39 QA GLY 39 -2.846 -10.944 15.819 437 H ALA 40 H ALA 40 -3.804 -11.760 12.891 438 HA ALA 40 HA ALA 40 -1.872 -10.450 11.194 439 1HB ALA 40 1HB ALA 40 -3.502 -12.349 10.540 440 2HB ALA 40 2HB ALA 40 -4.771 -11.101 10.624 441 3HB ALA 40 3HB ALA 40 -3.464 -10.946 9.454 442 QB ALA 40 QB ALA 40 -3.912 -11.465 10.206 443 H GLU 41 H GLU 41 -4.545 -9.420 13.233 444 HA GLU 41 HA GLU 41 -5.285 -6.937 12.180 445 1HB GLU 41 1HB GLU 41 -6.215 -8.161 14.171 446 2HB GLU 41 2HB GLU 41 -4.750 -7.773 15.050 447 1HG GLU 41 1HG GLU 41 -6.085 -6.160 15.891 448 2HG GLU 41 2HG GLU 41 -5.455 -5.243 14.545 449 QB GLU 41 QB GLU 41 -5.483 -7.967 14.610 450 QG GLU 41 QG GLU 41 -5.770 -5.702 15.218 451 H GLU 42 H GLU 42 -2.156 -7.883 13.601 452 HA GLU 42 HA GLU 42 -1.287 -5.064 13.667 453 1HB GLU 42 1HB GLU 42 -0.549 -6.933 15.328 454 2HB GLU 42 2HB GLU 42 0.525 -7.453 14.035 455 1HG GLU 42 1HG GLU 42 1.862 -5.972 15.271 456 2HG GLU 42 2HG GLU 42 1.289 -4.937 13.961 457 QB GLU 42 QB GLU 42 -0.012 -7.193 14.681 458 QG GLU 42 QG GLU 42 1.576 -5.454 14.616 459 H LYS 43 H LYS 43 -0.615 -7.970 11.717 460 HA LYS 43 HA LYS 43 1.068 -6.811 9.836 461 1HB LYS 43 1HB LYS 43 -0.290 -9.274 10.202 462 2HB LYS 43 2HB LYS 43 -0.888 -8.701 8.679 463 1HG LYS 43 1HG LYS 43 1.025 -10.225 8.447 464 2HG LYS 43 2HG LYS 43 1.330 -8.654 7.722 465 1HD LYS 43 1HD LYS 43 2.766 -8.011 9.628 466 2HD LYS 43 2HD LYS 43 2.312 -9.501 10.472 467 1HE LYS 43 1HE LYS 43 4.526 -9.673 9.517 468 2HE LYS 43 2HE LYS 43 3.423 -10.848 8.790 469 1HZ LYS 43 1HZ LYS 43 4.107 -8.243 7.537 470 2HZ LYS 43 2HZ LYS 43 4.882 -9.687 7.218 471 3HZ LYS 43 3HZ LYS 43 3.307 -9.505 6.843 472 QB LYS 43 QB LYS 43 -0.589 -8.987 9.440 473 QG LYS 43 QG LYS 43 1.177 -9.439 8.084 474 QD LYS 43 QD LYS 43 2.539 -8.756 10.050 475 QE LYS 43 QE LYS 43 3.975 -10.261 9.154 476 QZ LYS 43 QZ LYS 43 4.099 -9.145 7.199 477 H PHE 44 H PHE 44 -2.379 -6.628 10.134 478 HA PHE 44 HA PHE 44 -3.098 -5.399 7.714 479 1HB PHE 44 1HB PHE 44 -4.643 -6.194 9.534 480 2HB PHE 44 2HB PHE 44 -4.184 -4.810 10.492 481 HD1 PHE 44 1HD PHE 44 -5.102 -5.079 6.842 482 HD2 PHE 44 2HD PHE 44 -6.027 -3.385 10.689 483 HE1 PHE 44 1HE PHE 44 -7.109 -3.995 5.876 484 HE2 PHE 44 2HE PHE 44 -7.970 -2.199 9.681 485 1HZ PHE 44 HZ PHE 44 -8.544 -2.553 7.296 486 QB PHE 44 QB PHE 44 -4.414 -5.502 10.013 487 QG PHE 44 QD PHE 44 -5.565 -4.232 8.765 488 QZ PHE 44 QE PHE 44 -7.539 -3.097 7.779 489 QZ PHE 44 QR PHE 44 -6.950 -3.442 8.077 490 H LYS 45 H LYS 45 -1.716 -3.930 10.685 491 HA LYS 45 HA LYS 45 -1.964 -1.224 9.763 492 1HB LYS 45 1HB LYS 45 -0.076 -2.425 11.841 493 2HB LYS 45 2HB LYS 45 -0.237 -0.710 11.535 494 1HG LYS 45 1HG LYS 45 -2.512 -2.522 12.454 495 2HG LYS 45 2HG LYS 45 -1.536 -1.512 13.508 496 1HD LYS 45 1HD LYS 45 -3.253 -0.420 11.227 497 2HD LYS 45 2HD LYS 45 -3.803 -0.533 12.872 498 1HE LYS 45 1HE LYS 45 -1.258 0.979 12.143 499 2HE LYS 45 2HE LYS 45 -2.849 1.736 12.067 500 1HZ LYS 45 3HZ LYS 45 -1.862 0.472 14.532 501 2HZ LYS 45 1HZ LYS 45 -1.647 2.080 14.171 502 3HZ LYS 45 2HZ LYS 45 -3.152 1.451 14.351 503 QB LYS 45 QB LYS 45 -0.157 -1.567 11.688 504 QG LYS 45 QG LYS 45 -2.024 -2.017 12.981 505 QD LYS 45 QD LYS 45 -3.528 -0.477 12.049 506 QE LYS 45 QE LYS 45 -2.054 1.357 12.105 507 QZ LYS 45 QZ LYS 45 -2.220 1.334 14.351 508 H GLU 46 H GLU 46 0.597 -3.735 9.019 509 HA GLU 46 HA GLU 46 2.489 -1.967 8.122 510 1HB GLU 46 1HB GLU 46 2.265 -4.563 8.889 511 2HB GLU 46 2HB GLU 46 1.831 -4.792 7.199 512 1HG GLU 46 1HG GLU 46 3.799 -3.571 6.617 513 2HG GLU 46 2HG GLU 46 4.430 -3.666 8.258 514 QB GLU 46 QB GLU 46 2.048 -4.678 8.044 515 QG GLU 46 QG GLU 46 4.115 -3.618 7.437 516 H ILE 47 H ILE 47 -0.189 -3.841 6.684 517 HA ILE 47 HA ILE 47 0.028 -2.810 3.997 518 HB ILE 47 HB ILE 47 -2.402 -3.910 5.493 519 1HG1 ILE 47 1HG1 ILE 47 -0.339 -4.983 3.552 520 2HG1 ILE 47 2HG1 ILE 47 -0.863 -5.622 5.112 521 1HG2 ILE 47 3HG2 ILE 47 -2.236 -3.036 2.595 522 2HG2 ILE 47 1HG2 ILE 47 -3.598 -3.924 3.325 523 3HG2 ILE 47 2HG2 ILE 47 -3.247 -2.301 3.849 524 1HD1 ILE 47 3HD1 ILE 47 -3.081 -6.169 4.050 525 2HD1 ILE 47 1HD1 ILE 47 -2.369 -5.704 2.488 526 3HD1 ILE 47 2HD1 ILE 47 -1.680 -7.054 3.379 527 QG1 ILE 47 QG1 ILE 47 -0.601 -5.302 4.332 528 QG2 ILE 47 QG2 ILE 47 -3.027 -3.087 3.256 529 QD1 ILE 47 QD1 ILE 47 -2.377 -6.309 3.306 530 H ALA 48 H ALA 48 -1.982 -1.647 6.769 531 HA ALA 48 HA ALA 48 -3.345 0.271 5.269 532 1HB ALA 48 2HB ALA 48 -3.957 -0.636 7.551 533 2HB ALA 48 3HB ALA 48 -2.706 0.416 8.249 534 3HB ALA 48 1HB ALA 48 -4.095 1.119 7.396 535 QB ALA 48 QB ALA 48 -3.586 0.300 7.732 536 H GLU 49 H GLU 49 -0.233 0.493 6.991 537 HA GLU 49 HA GLU 49 -0.055 3.355 6.797 538 1HB GLU 49 1HB GLU 49 1.296 1.822 8.376 539 2HB GLU 49 2HB GLU 49 2.347 1.520 6.975 540 1HG GLU 49 1HG GLU 49 2.389 4.157 6.787 541 2HG GLU 49 2HG GLU 49 1.765 4.128 8.439 542 QB GLU 49 QB GLU 49 1.822 1.671 7.675 543 QG GLU 49 QG GLU 49 2.077 4.143 7.613 544 H ALA 50 H ALA 50 1.020 0.639 4.746 545 HA ALA 50 HA ALA 50 2.422 2.256 2.778 546 1HB ALA 50 3HB ALA 50 2.844 -0.174 3.186 547 2HB ALA 50 1HB ALA 50 1.225 -0.547 2.575 548 3HB ALA 50 2HB ALA 50 2.416 0.176 1.492 549 QB ALA 50 QB ALA 50 2.162 -0.181 2.418 550 H TYR 51 H TYR 51 -0.821 1.070 3.308 551 HA TYR 51 HA TYR 51 -2.020 1.300 0.779 552 1HB TYR 51 1HB TYR 51 -2.782 0.244 3.047 553 2HB TYR 51 2HB TYR 51 -3.414 1.822 3.432 554 HD1 TYR 51 2HD TYR 51 -5.331 2.728 2.136 555 HD2 TYR 51 1HD TYR 51 -3.830 -1.274 1.652 556 HE1 TYR 51 2HE TYR 51 -7.557 2.001 1.332 557 HE2 TYR 51 1HE TYR 51 -6.011 -2.023 0.842 558 HH TYR 51 HH TYR 51 -8.116 -1.327 0.152 559 QB TYR 51 QB TYR 51 -3.098 1.033 3.239 560 QG TYR 51 QD TYR 51 -4.580 0.727 1.894 561 QZ TYR 51 QE TYR 51 -6.784 -0.011 1.087 562 QR TYR 51 QR TYR 51 -5.682 0.358 1.490 563 H ASP 52 H ASP 52 -1.892 3.593 3.515 564 HA ASP 52 HA ASP 52 -3.396 5.723 2.589 565 1HB ASP 52 1HB ASP 52 -2.386 5.371 4.849 566 2HB ASP 52 2HB ASP 52 -0.809 5.789 4.177 567 QB ASP 52 QB ASP 52 -1.597 5.580 4.513 568 H VAL 53 H VAL 53 0.018 5.034 1.968 569 HA VAL 53 HA VAL 53 0.388 7.443 0.318 570 HB VAL 53 HB VAL 53 2.161 5.155 1.244 571 1HG1 VAL 53 2HG1 VAL 53 2.905 7.373 -0.704 572 2HG1 VAL 53 3HG1 VAL 53 4.086 6.401 0.198 573 3HG1 VAL 53 1HG1 VAL 53 3.008 5.615 -0.968 574 1HG2 VAL 53 3HG2 VAL 53 1.571 7.058 2.790 575 2HG2 VAL 53 1HG2 VAL 53 3.295 6.973 2.436 576 3HG2 VAL 53 2HG2 VAL 53 2.297 8.169 1.596 577 QG1 VAL 53 QG1 VAL 53 3.333 6.463 -0.492 578 QG2 VAL 53 QG2 VAL 53 2.388 7.400 2.274 579 QQG VAL 53 QQG VAL 53 2.860 6.932 0.891 580 H LEU 54 H LEU 54 0.279 3.875 -0.257 581 HA LEU 54 HA LEU 54 0.824 4.072 -3.081 582 1HB LEU 54 1HB LEU 54 1.279 2.220 -1.413 583 2HB LEU 54 2HB LEU 54 -0.440 1.835 -1.484 584 HG LEU 54 HG LEU 54 -0.223 1.247 -3.837 585 1HD1 LEU 54 3HD1 LEU 54 2.730 2.011 -3.558 586 2HD1 LEU 54 1HD1 LEU 54 1.999 1.174 -4.943 587 3HD1 LEU 54 2HD1 LEU 54 1.549 2.833 -4.608 588 1HD2 LEU 54 2HD2 LEU 54 0.453 -0.361 -1.998 589 2HD2 LEU 54 3HD2 LEU 54 1.225 -0.713 -3.561 590 3HD2 LEU 54 1HD2 LEU 54 2.127 0.094 -2.258 591 QB LEU 54 QB LEU 54 0.419 2.028 -1.449 592 QD1 LEU 54 QD1 LEU 54 2.093 2.006 -4.370 593 QD2 LEU 54 QD2 LEU 54 1.269 -0.327 -2.605 594 QQD LEU 54 QQD LEU 54 1.681 0.840 -3.488 595 H SER 55 H SER 55 -2.171 4.464 -1.287 596 HA SER 55 HA SER 55 -3.677 4.367 -3.832 597 1HB SER 55 1HB SER 55 -5.643 4.766 -2.454 598 2HB SER 55 2HB SER 55 -4.733 3.340 -1.960 599 HG SER 55 HG SER 55 -3.867 4.529 -0.230 600 QB SER 55 QB SER 55 -5.188 4.053 -2.207 601 H ASP 56 H ASP 56 -1.584 6.693 -2.603 602 HA ASP 56 HA ASP 56 -3.429 8.938 -3.222 603 1HB ASP 56 1HB ASP 56 -3.084 8.863 -0.909 604 2HB ASP 56 2HB ASP 56 -1.327 8.680 -1.113 605 QB ASP 56 QB ASP 56 -2.205 8.771 -1.011 606 HA PRO 57 HA PRO 57 -0.034 9.832 -6.133 607 1HB PRO 57 1HB PRO 57 -1.529 11.255 -7.992 608 2HB PRO 57 2HB PRO 57 -1.544 9.485 -7.887 609 1HG PRO 57 1HG PRO 57 -3.499 11.427 -6.623 610 2HG PRO 57 2HG PRO 57 -3.864 10.006 -7.658 611 1HD PRO 57 1HD PRO 57 -3.936 9.868 -4.959 612 2HD PRO 57 2HD PRO 57 -3.316 8.497 -5.924 613 QB PRO 57 QB PRO 57 -1.536 10.370 -7.940 614 QG PRO 57 QG PRO 57 -3.682 10.717 -7.141 615 QD PRO 57 QD PRO 57 -3.626 9.182 -5.442 616 H ARG 58 H ARG 58 -0.331 11.206 -3.640 617 HA ARG 58 HA ARG 58 0.878 13.753 -4.575 618 1HB ARG 58 1HB ARG 58 -1.002 13.589 -2.174 619 2HB ARG 58 2HB ARG 58 0.111 14.906 -2.509 620 1HG ARG 58 1HG ARG 58 -1.814 15.788 -3.345 621 2HG ARG 58 2HG ARG 58 -1.123 15.081 -4.810 622 1HD ARG 58 1HD ARG 58 -2.587 13.056 -4.424 623 2HD ARG 58 2HD ARG 58 -3.219 13.845 -2.983 624 HE ARG 58 HE ARG 58 -4.539 15.176 -4.240 625 1HH1 ARG 58 2HH2 ARG 58 -2.061 13.856 -6.466 626 2HH1 ARG 58 1HH2 ARG 58 -2.977 14.157 -7.892 627 1HH2 ARG 58 2HH1 ARG 58 -5.747 15.553 -6.102 628 2HH2 ARG 58 1HH1 ARG 58 -5.173 15.173 -7.695 629 QB ARG 58 QB ARG 58 -0.446 14.247 -2.342 630 QG ARG 58 QG ARG 58 -1.468 15.435 -4.077 631 QD ARG 58 QD ARG 58 -2.903 13.450 -3.704 632 QH1 ARG 58 QH2 ARG 58 -2.519 14.006 -7.179 633 QH2 ARG 58 QH1 ARG 58 -5.460 15.363 -6.899 634 H LYS 59 H LYS 59 0.351 11.782 -1.512 635 HA LYS 59 HA LYS 59 3.024 12.512 -0.780 636 1HB LYS 59 1HB LYS 59 1.056 11.891 0.735 637 2HB LYS 59 2HB LYS 59 1.451 10.195 0.404 638 1HG LYS 59 1HG LYS 59 3.606 10.426 1.454 639 2HG LYS 59 2HG LYS 59 3.518 12.186 1.431 640 1HD LYS 59 1HD LYS 59 3.156 11.461 3.704 641 2HD LYS 59 2HD LYS 59 1.678 12.159 3.059 642 1HE LYS 59 1HE LYS 59 1.014 9.694 2.500 643 2HE LYS 59 2HE LYS 59 2.313 9.243 3.619 644 1HZ LYS 59 2HZ LYS 59 0.000 10.948 4.265 645 2HZ LYS 59 3HZ LYS 59 0.101 9.367 4.599 646 3HZ LYS 59 1HZ LYS 59 1.152 10.424 5.348 647 QB LYS 59 QB LYS 59 1.254 11.043 0.570 648 QG LYS 59 QG LYS 59 3.562 11.306 1.442 649 QD LYS 59 QD LYS 59 2.417 11.810 3.382 650 QE LYS 59 QE LYS 59 1.664 9.468 3.060 651 QZ LYS 59 QZ LYS 59 0.418 10.246 4.738 652 H ARG 60 H ARG 60 1.743 9.505 -2.596 653 HA ARG 60 HA ARG 60 4.343 8.504 -2.660 654 1HB ARG 60 1HB ARG 60 1.915 7.481 -3.330 655 2HB ARG 60 2HB ARG 60 2.486 7.916 -4.958 656 1HG ARG 60 1HG ARG 60 4.625 6.750 -4.497 657 2HG ARG 60 2HG ARG 60 4.061 6.505 -2.822 658 1HD ARG 60 1HD ARG 60 2.635 4.799 -3.402 659 2HD ARG 60 2HD ARG 60 2.557 5.283 -5.112 660 HE ARG 60 HE ARG 60 4.635 4.346 -5.535 661 1HH1 ARG 60 2HH2 ARG 60 4.216 4.319 -2.023 662 2HH1 ARG 60 1HH2 ARG 60 5.552 3.226 -1.778 663 1HH2 ARG 60 2HH1 ARG 60 6.107 2.551 -5.146 664 2HH2 ARG 60 1HH1 ARG 60 6.522 2.106 -3.529 665 QB ARG 60 QB ARG 60 2.200 7.699 -4.144 666 QG ARG 60 QG ARG 60 4.343 6.627 -3.660 667 QD ARG 60 QD ARG 60 2.596 5.041 -4.257 668 QH1 ARG 60 QH2 ARG 60 4.884 3.773 -1.901 669 QH2 ARG 60 QH1 ARG 60 6.314 2.328 -4.337 670 H GLU 61 H GLU 61 3.193 11.356 -4.236 671 HA GLU 61 HA GLU 61 4.800 11.030 -6.642 672 1HB GLU 61 1HB GLU 61 2.675 12.505 -6.088 673 2HB GLU 61 2HB GLU 61 3.854 13.625 -5.381 674 1HG GLU 61 1HG GLU 61 4.998 13.781 -7.524 675 2HG GLU 61 2HG GLU 61 3.903 12.574 -8.222 676 QB GLU 61 QB GLU 61 3.265 13.065 -5.734 677 QG GLU 61 QG GLU 61 4.451 13.177 -7.873 678 H ILE 62 H ILE 62 5.248 12.251 -3.362 679 HA ILE 62 HA ILE 62 7.913 13.335 -3.782 680 HB ILE 62 HB ILE 62 6.492 12.370 -1.232 681 1HG1 ILE 62 1HG1 ILE 62 6.744 15.127 -2.535 682 2HG1 ILE 62 2HG1 ILE 62 5.259 14.187 -2.372 683 1HG2 ILE 62 2HG2 ILE 62 8.970 12.476 -0.988 684 2HG2 ILE 62 3HG2 ILE 62 8.930 14.182 -1.486 685 3HG2 ILE 62 1HG2 ILE 62 8.153 13.649 0.015 686 1HD1 ILE 62 3HD1 ILE 62 5.446 14.374 0.111 687 2HD1 ILE 62 1HD1 ILE 62 6.827 15.483 -0.126 688 3HD1 ILE 62 2HD1 ILE 62 5.229 15.923 -0.733 689 QG1 ILE 62 QG1 ILE 62 6.001 14.657 -2.453 690 QG2 ILE 62 QG2 ILE 62 8.685 13.436 -0.820 691 QD1 ILE 62 QD1 ILE 62 5.834 15.260 -0.249 692 H PHE 63 H PHE 63 6.535 10.292 -2.567 693 HA PHE 63 HA PHE 63 8.899 8.833 -2.071 694 1HB PHE 63 1HB PHE 63 6.440 8.371 -1.491 695 2HB PHE 63 2HB PHE 63 6.267 7.800 -3.147 696 HD1 PHE 63 2HD PHE 63 7.780 5.883 -3.966 697 HD2 PHE 63 1HD PHE 63 7.007 6.829 0.180 698 HE1 PHE 63 2HE PHE 63 8.348 3.593 -3.329 699 HE2 PHE 63 1HE PHE 63 7.530 4.486 0.808 700 1HZ PHE 63 HZ PHE 63 8.261 2.898 -0.926 701 QB PHE 63 QB PHE 63 6.353 8.085 -2.319 702 QG PHE 63 QD PHE 63 7.394 6.356 -1.893 703 QZ PHE 63 QE PHE 63 7.939 4.039 -1.261 704 QZ PHE 63 QR PHE 63 7.785 4.738 -1.447 705 H ASP 64 H ASP 64 7.055 9.290 -5.143 706 HA ASP 64 HA ASP 64 8.472 7.421 -6.698 707 1HB ASP 64 1HB ASP 64 6.389 9.350 -7.079 708 2HB ASP 64 2HB ASP 64 7.566 9.715 -8.286 709 QB ASP 64 QB ASP 64 6.978 9.532 -7.683 710 H ARG 65 H ARG 65 9.260 10.688 -5.772 711 HA ARG 65 HA ARG 65 11.524 11.043 -7.614 712 1HB ARG 65 1HB ARG 65 10.383 13.002 -7.124 713 2HB ARG 65 2HB ARG 65 10.193 12.579 -5.455 714 1HG ARG 65 1HG ARG 65 11.577 14.268 -5.279 715 2HG ARG 65 2HG ARG 65 12.761 12.979 -5.182 716 1HD ARG 65 1HD ARG 65 12.081 14.356 -7.812 717 2HD ARG 65 2HD ARG 65 13.155 15.123 -6.640 718 HE ARG 65 HE ARG 65 14.212 12.574 -6.970 719 1HH1 ARG 65 2HH2 ARG 65 13.611 15.376 -9.108 720 2HH1 ARG 65 1HH2 ARG 65 14.831 14.876 -10.249 721 1HH2 ARG 65 2HH1 ARG 65 15.836 12.091 -8.263 722 2HH2 ARG 65 1HH1 ARG 65 16.281 13.008 -9.677 723 QB ARG 65 QB ARG 65 10.288 12.790 -6.289 724 QG ARG 65 QG ARG 65 12.169 13.623 -5.230 725 QD ARG 65 QD ARG 65 12.618 14.739 -7.226 726 QH1 ARG 65 QH2 ARG 65 14.221 15.126 -9.678 727 QH2 ARG 65 QH1 ARG 65 16.059 12.550 -8.970 728 H TYR 66 H TYR 66 11.304 10.931 -4.007 729 HA TYR 66 HA TYR 66 14.182 10.444 -3.976 730 1HB TYR 66 1HB TYR 66 12.240 10.603 -1.663 731 2HB TYR 66 2HB TYR 66 13.991 10.694 -1.567 732 HD1 TYR 66 1HD TYR 66 15.240 12.623 -2.547 733 HD2 TYR 66 2HD TYR 66 10.949 12.595 -2.148 734 HE1 TYR 66 1HE TYR 66 15.191 15.063 -2.908 735 HE2 TYR 66 2HE TYR 66 10.884 15.029 -2.527 736 HH TYR 66 HH TYR 66 12.091 16.863 -3.180 737 QB TYR 66 QB TYR 66 13.115 10.648 -1.615 738 QG TYR 66 QD TYR 66 13.095 12.609 -2.348 739 QZ TYR 66 QE TYR 66 13.037 15.046 -2.718 740 QR TYR 66 QR TYR 66 13.066 13.828 -2.533 741 H GLY 67 H GLY 67 11.519 8.252 -3.976 742 1HA GLY 67 1HA GLY 67 11.505 5.963 -3.623 743 2HA GLY 67 2HA GLY 67 13.130 6.033 -2.907 744 QA GLY 67 QA GLY 67 12.317 5.998 -3.265 745 H GLU 68 H GLU 68 11.844 4.686 -1.327 746 HA GLU 68 HA GLU 68 9.860 5.678 0.399 747 1HB GLU 68 1HB GLU 68 10.675 3.290 0.168 748 2HB GLU 68 2HB GLU 68 12.143 3.757 1.024 749 1HG GLU 68 1HG GLU 68 10.447 4.567 2.909 750 2HG GLU 68 2HG GLU 68 9.309 3.520 2.076 751 QB GLU 68 QB GLU 68 11.409 3.524 0.596 752 QG GLU 68 QG GLU 68 9.878 4.043 2.493 753 H GLU 69 H GLU 69 13.386 5.957 0.566 754 HA GLU 69 HA GLU 69 13.455 7.056 3.197 755 1HB GLU 69 1HB GLU 69 15.830 7.237 2.807 756 2HB GLU 69 2HB GLU 69 15.188 5.700 2.248 757 1HG GLU 69 1HG GLU 69 15.136 6.838 -0.114 758 2HG GLU 69 2HG GLU 69 16.227 8.022 0.606 759 QB GLU 69 QB GLU 69 15.509 6.468 2.528 760 QG GLU 69 QG GLU 69 15.681 7.430 0.246 761 H GLY 70 H GLY 70 12.174 8.598 0.575 762 1HA GLY 70 1HA GLY 70 12.896 11.279 1.705 763 2HA GLY 70 2HA GLY 70 12.413 11.101 0.142 764 QA GLY 70 QA GLY 70 12.655 11.190 0.924 765 H LEU 71 H LEU 71 10.640 9.030 2.332 766 HA LEU 71 HA LEU 71 8.204 10.167 1.482 767 1HB LEU 71 1HB LEU 71 8.351 7.869 2.388 768 2HB LEU 71 2HB LEU 71 8.807 8.514 3.971 769 HG LEU 71 HG LEU 71 6.564 9.672 4.117 770 1HD1 LEU 71 3HD1 LEU 71 5.897 8.022 1.645 771 2HD1 LEU 71 1HD1 LEU 71 4.765 8.945 2.639 772 3HD1 LEU 71 2HD1 LEU 71 5.994 9.798 1.697 773 1HD2 LEU 71 3HD2 LEU 71 6.664 6.662 3.817 774 2HD2 LEU 71 1HD2 LEU 71 6.855 7.634 5.280 775 3HD2 LEU 71 2HD2 LEU 71 5.277 7.556 4.498 776 QB LEU 71 QB LEU 71 8.579 8.191 3.180 777 QD1 LEU 71 QD1 LEU 71 5.552 8.921 1.994 778 QD2 LEU 71 QD2 LEU 71 6.265 7.284 4.531 779 QQD LEU 71 QQD LEU 71 5.909 8.103 3.263 780 H LYS 72 H LYS 72 7.056 11.839 2.165 781 HA LYS 72 HA LYS 72 8.025 13.658 4.175 782 1HB LYS 72 1HB LYS 72 7.022 14.373 2.058 783 2HB LYS 72 2HB LYS 72 5.492 13.602 2.480 784 1HG LYS 72 1HG LYS 72 5.453 16.023 2.705 785 2HG LYS 72 2HG LYS 72 5.090 15.241 4.221 786 1HD LYS 72 1HD LYS 72 7.924 16.139 3.620 787 2HD LYS 72 2HD LYS 72 6.735 17.332 4.080 788 1HE LYS 72 1HE LYS 72 7.501 14.917 5.789 789 2HE LYS 72 2HE LYS 72 8.088 16.558 5.993 790 1HZ LYS 72 1HZ LYS 72 5.822 17.277 6.414 791 2HZ LYS 72 2HZ LYS 72 5.273 15.721 6.324 792 3HZ LYS 72 3HZ LYS 72 6.323 16.147 7.497 793 QB LYS 72 QB LYS 72 6.257 13.988 2.269 794 QG LYS 72 QG LYS 72 5.272 15.632 3.463 795 QD LYS 72 QD LYS 72 7.329 16.735 3.850 796 QE LYS 72 QE LYS 72 7.795 15.737 5.891 797 QZ LYS 72 QZ LYS 72 5.806 16.382 6.745 798 H GLY 73 H GLY 73 8.043 12.092 5.890 799 1HA GLY 73 1HA GLY 73 5.834 10.825 7.099 800 2HA GLY 73 2HA GLY 73 7.299 11.382 7.940 801 QA GLY 73 QA GLY 73 6.566 11.104 7.520 802 H SER 74 H SER 74 3.990 11.777 7.891 803 HA SER 74 HA SER 74 4.099 14.487 9.076 804 1HB SER 74 1HB SER 74 2.022 13.685 6.994 805 2HB SER 74 2HB SER 74 2.294 15.279 7.705 806 HG SER 74 HG SER 74 3.952 13.835 5.895 807 QB SER 74 QB SER 74 2.158 14.482 7.349 808 H GLY 75 H GLY 75 2.070 14.929 10.299 809 1HA GLY 75 1HA GLY 75 0.538 12.509 11.131 810 2HA GLY 75 2HA GLY 75 0.579 14.062 11.995 811 QA GLY 75 QA GLY 75 0.559 13.285 11.563 812 H CYS 76 H CYS 76 -1.705 12.681 10.751 813 HA CYS 76 HA CYS 76 -2.906 14.877 9.340 814 1HB CYS 76 1HB CYS 76 -2.997 12.136 8.000 815 2HB CYS 76 2HB CYS 76 -3.747 13.631 7.469 816 HG CYS 76 HG CYS 76 -1.495 14.954 7.004 817 QB CYS 76 QB CYS 76 -3.372 12.884 7.734 No H/Q in entry = 817 Start of MODEL 18 1 H MET 0 H MET 0 15.869 0.090 -0.014 2 HA MET 0 HA MET 0 14.211 1.181 1.453 3 1HB MET 0 1HB MET 0 12.250 -0.145 0.845 4 2HB MET 0 2HB MET 0 13.324 0.170 -0.506 5 1HG MET 0 1HG MET 0 13.183 -2.491 0.963 6 2HG MET 0 2HG MET 0 12.284 -2.103 -0.463 7 1HE MET 0 3HE MET 0 13.094 -2.219 -2.867 8 2HE MET 0 1HE MET 0 14.025 -0.737 -2.553 9 3HE MET 0 2HE MET 0 14.802 -2.125 -3.345 10 QB MET 0 QB MET 0 12.787 0.013 0.170 11 QG MET 0 QG MET 0 12.734 -2.297 0.250 12 QE MET 0 QE MET 0 13.973 -1.694 -2.922 13 H GLY 1 H GLY 1 14.451 1.444 3.673 14 1HA GLY 1 1HA GLY 1 14.545 -0.809 5.454 15 2HA GLY 1 2HA GLY 1 14.166 0.866 5.879 16 QA GLY 1 QA GLY 1 14.355 0.029 5.666 17 H LYS 2 H LYS 2 11.957 0.973 3.822 18 HA LYS 2 HA LYS 2 9.961 -0.983 4.737 19 1HB LYS 2 1HB LYS 2 9.863 0.930 6.321 20 2HB LYS 2 2HB LYS 2 9.634 2.049 4.969 21 1HG LYS 2 1HG LYS 2 7.465 0.902 4.453 22 2HG LYS 2 2HG LYS 2 7.738 -0.174 5.840 23 1HD LYS 2 1HD LYS 2 7.855 1.888 7.325 24 2HD LYS 2 2HD LYS 2 7.467 2.867 5.910 25 1HE LYS 2 1HE LYS 2 5.373 2.573 6.965 26 2HE LYS 2 2HE LYS 2 5.365 1.370 5.663 27 1HZ LYS 2 2HZ LYS 2 6.447 0.040 7.784 28 2HZ LYS 2 3HZ LYS 2 5.266 0.941 8.486 29 3HZ LYS 2 1HZ LYS 2 4.925 -0.088 7.250 30 QB LYS 2 QB LYS 2 9.749 1.489 5.645 31 QG LYS 2 QG LYS 2 7.602 0.364 5.147 32 QD LYS 2 QD LYS 2 7.661 2.378 6.618 33 QE LYS 2 QE LYS 2 5.369 1.971 6.314 34 QZ LYS 2 QZ LYS 2 5.546 0.298 7.840 35 H ASP 3 H ASP 3 8.433 -1.299 3.023 36 HA ASP 3 HA ASP 3 8.744 0.390 0.644 37 1HB ASP 3 1HB ASP 3 8.713 -1.410 -0.748 38 2HB ASP 3 2HB ASP 3 9.871 -1.923 0.474 39 QB ASP 3 QB ASP 3 9.292 -1.666 -0.137 40 H TYR 4 H TYR 4 6.789 0.046 -0.728 41 HA TYR 4 HA TYR 4 4.355 0.059 1.016 42 1HB TYR 4 1HB TYR 4 5.205 2.154 -1.015 43 2HB TYR 4 2HB TYR 4 3.599 2.015 -0.349 44 HD1 TYR 4 2HD TYR 4 7.189 2.263 1.018 45 HD2 TYR 4 1HD TYR 4 3.057 3.392 1.393 46 HE1 TYR 4 2HE TYR 4 7.707 3.387 3.121 47 HE2 TYR 4 1HE TYR 4 3.544 4.504 3.542 48 HH TYR 4 HH TYR 4 6.820 4.600 4.993 49 QB TYR 4 QB TYR 4 4.402 2.084 -0.682 50 QG TYR 4 QD TYR 4 5.123 2.828 1.205 51 QZ TYR 4 QE TYR 4 5.625 3.946 3.331 52 QR TYR 4 QR TYR 4 5.374 3.387 2.268 53 H TYR 5 H TYR 5 5.556 -0.102 -2.425 54 HA TYR 5 HA TYR 5 3.160 -1.052 -3.522 55 1HB TYR 5 1HB TYR 5 6.089 -1.177 -4.270 56 2HB TYR 5 2HB TYR 5 4.974 -2.217 -5.117 57 HD1 TYR 5 2HD TYR 5 2.593 -0.829 -5.685 58 HD2 TYR 5 1HD TYR 5 6.626 0.680 -5.658 59 HE1 TYR 5 2HE TYR 5 1.950 0.906 -7.319 60 HE2 TYR 5 1HE TYR 5 5.972 2.448 -7.283 61 HH TYR 5 HH TYR 5 4.233 3.279 -8.678 62 QB TYR 5 QB TYR 5 5.532 -1.697 -4.694 63 QG TYR 5 QD TYR 5 4.610 -0.075 -5.672 64 QZ TYR 5 QE TYR 5 3.961 1.677 -7.301 65 QR TYR 5 QR TYR 5 4.285 0.801 -6.486 66 H GLN 6 H GLN 6 5.977 -3.000 -2.245 67 HA GLN 6 HA GLN 6 4.576 -5.413 -2.965 68 1HB GLN 6 1HB GLN 6 7.139 -4.953 -2.889 69 2HB GLN 6 2HB GLN 6 6.998 -5.148 -1.148 70 1HG GLN 6 1HG GLN 6 5.880 -7.484 -1.862 71 2HG GLN 6 2HG GLN 6 6.857 -7.204 -3.305 72 1HE2 GLN 6 2HE2 GLN 6 8.667 -7.769 0.384 73 2HE2 GLN 6 1HE2 GLN 6 6.924 -7.721 0.198 74 QB GLN 6 QB GLN 6 7.068 -5.050 -2.019 75 QG GLN 6 QG GLN 6 6.368 -7.344 -2.583 76 QE2 GLN 6 QE2 GLN 6 7.796 -7.745 0.291 77 H THR 7 H THR 7 4.876 -3.440 -0.024 78 HA THR 7 HA THR 7 3.641 -5.198 1.764 79 HB THR 7 HB THR 7 3.496 -2.169 1.577 80 HG1 THR 7 1HG THR 7 5.392 -2.249 2.552 81 1HG2 THR 7 1HG2 THR 7 2.959 -4.009 3.945 82 2HG2 THR 7 2HG2 THR 7 3.237 -2.262 4.075 83 3HG2 THR 7 3HG2 THR 7 1.818 -2.864 3.207 84 QG2 THR 7 QG2 THR 7 2.671 -3.045 3.742 85 H LEU 8 H LEU 8 2.163 -3.516 -0.897 86 HA LEU 8 HA LEU 8 -0.514 -4.539 -0.115 87 1HB LEU 8 1HB LEU 8 -0.086 -2.146 -1.027 88 2HB LEU 8 2HB LEU 8 0.084 -2.929 -2.595 89 HG LEU 8 HG LEU 8 -2.265 -3.859 -2.314 90 1HD1 LEU 8 2HD1 LEU 8 -2.218 -2.120 0.184 91 2HD1 LEU 8 3HD1 LEU 8 -3.698 -2.773 -0.544 92 3HD1 LEU 8 1HD1 LEU 8 -2.498 -3.866 0.103 93 1HD2 LEU 8 1HD2 LEU 8 -1.820 -1.709 -3.527 94 2HD2 LEU 8 2HD2 LEU 8 -3.420 -1.813 -2.799 95 3HD2 LEU 8 3HD2 LEU 8 -2.166 -0.840 -2.019 96 QB LEU 8 QB LEU 8 -0.001 -2.537 -1.811 97 QD1 LEU 8 QD1 LEU 8 -2.805 -2.920 -0.086 98 QD2 LEU 8 QD2 LEU 8 -2.469 -1.454 -2.781 99 QQD LEU 8 QQD LEU 8 -2.637 -2.187 -1.434 100 H GLY 9 H GLY 9 2.170 -5.707 -1.672 101 1HA GLY 9 1HA GLY 9 2.295 -7.911 -2.434 102 2HA GLY 9 2HA GLY 9 0.639 -7.838 -3.034 103 QA GLY 9 QA GLY 9 1.467 -7.874 -2.734 104 H LEU 10 H LEU 10 2.562 -5.047 -3.903 105 HA LEU 10 HA LEU 10 2.365 -5.937 -6.726 106 1HB LEU 10 1HB LEU 10 2.668 -3.225 -5.403 107 2HB LEU 10 2HB LEU 10 2.568 -3.448 -7.128 108 HG LEU 10 HG LEU 10 0.345 -4.540 -5.362 109 1HD1 LEU 10 2HD1 LEU 10 0.729 -2.209 -4.696 110 2HD1 LEU 10 3HD1 LEU 10 0.532 -1.704 -6.397 111 3HD1 LEU 10 1HD1 LEU 10 -0.817 -2.468 -5.513 112 1HD2 LEU 10 1HD2 LEU 10 0.497 -3.525 -8.233 113 2HD2 LEU 10 2HD2 LEU 10 0.374 -5.212 -7.713 114 3HD2 LEU 10 3HD2 LEU 10 -0.976 -4.085 -7.433 115 QB LEU 10 QB LEU 10 2.618 -3.337 -6.265 116 QD1 LEU 10 QD1 LEU 10 0.148 -2.127 -5.535 117 QD2 LEU 10 QD2 LEU 10 -0.035 -4.274 -7.793 118 QQD LEU 10 QQD LEU 10 0.056 -3.200 -6.664 119 H ALA 11 H ALA 11 3.953 -5.082 -8.233 120 HA ALA 11 HA ALA 11 6.749 -5.282 -7.334 121 1HB ALA 11 3HB ALA 11 5.474 -4.663 -10.051 122 2HB ALA 11 1HB ALA 11 7.208 -4.888 -9.757 123 3HB ALA 11 2HB ALA 11 6.098 -6.245 -9.518 124 QB ALA 11 QB ALA 11 6.260 -5.265 -9.775 125 H ARG 12 H ARG 12 8.200 -3.601 -7.702 126 HA ARG 12 HA ARG 12 7.297 -0.786 -7.583 127 1HB ARG 12 1HB ARG 12 10.059 -2.062 -8.039 128 2HB ARG 12 2HB ARG 12 9.730 -0.335 -7.945 129 1HG ARG 12 1HG ARG 12 10.580 -0.886 -5.844 130 2HG ARG 12 2HG ARG 12 8.844 -0.708 -5.588 131 1HD ARG 12 1HD ARG 12 8.594 -3.179 -5.514 132 2HD ARG 12 2HD ARG 12 10.318 -3.370 -5.921 133 HE ARG 12 HE ARG 12 9.925 -1.709 -3.609 134 1HH1 ARG 12 2HH2 ARG 12 9.507 -5.181 -4.375 135 2HH1 ARG 12 1HH2 ARG 12 9.886 -5.678 -2.778 136 1HH2 ARG 12 2HH1 ARG 12 10.737 -2.337 -1.755 137 2HH2 ARG 12 1HH1 ARG 12 10.684 -3.998 -1.168 138 QB ARG 12 QB ARG 12 9.895 -1.199 -7.992 139 QG ARG 12 QG ARG 12 9.712 -0.797 -5.716 140 QD ARG 12 QD ARG 12 9.456 -3.275 -5.718 141 QH1 ARG 12 QH2 ARG 12 9.696 -5.430 -3.576 142 QH2 ARG 12 QH1 ARG 12 10.710 -3.168 -1.461 143 H GLY 13 H GLY 13 6.880 0.350 -9.526 144 1HA GLY 13 1HA GLY 13 6.871 0.662 -11.842 145 2HA GLY 13 2HA GLY 13 7.516 -0.957 -12.105 146 QA GLY 13 QA GLY 13 7.194 -0.148 -11.973 147 H ALA 14 H ALA 14 4.959 -1.093 -9.799 148 HA ALA 14 HA ALA 14 2.867 -1.894 -11.683 149 1HB ALA 14 1HB ALA 14 2.838 -1.155 -8.729 150 2HB ALA 14 2HB ALA 14 1.460 -1.808 -9.641 151 3HB ALA 14 3HB ALA 14 2.915 -2.792 -9.414 152 QB ALA 14 QB ALA 14 2.404 -1.918 -9.261 153 H SER 15 H SER 15 0.672 -0.498 -11.195 154 HA SER 15 HA SER 15 1.225 2.392 -11.478 155 1HB SER 15 1HB SER 15 -0.531 2.311 -13.357 156 2HB SER 15 2HB SER 15 1.085 1.740 -13.757 157 HG SER 15 HG SER 15 -0.774 0.395 -14.416 158 QB SER 15 QB SER 15 0.277 2.026 -13.557 159 H ASP 16 H ASP 16 -1.045 3.574 -11.414 160 HA ASP 16 HA ASP 16 -1.951 2.885 -8.833 161 1HB ASP 16 1HB ASP 16 -1.789 5.194 -9.898 162 2HB ASP 16 2HB ASP 16 -3.349 4.848 -10.655 163 QB ASP 16 QB ASP 16 -2.569 5.021 -10.276 164 H GLU 17 H GLU 17 -3.190 2.039 -12.000 165 HA GLU 17 HA GLU 17 -5.808 1.139 -10.961 166 1HB GLU 17 1HB GLU 17 -5.238 2.008 -13.375 167 2HB GLU 17 2HB GLU 17 -4.614 0.378 -13.642 168 1HG GLU 17 1HG GLU 17 -6.864 -0.548 -13.033 169 2HG GLU 17 2HG GLU 17 -7.444 1.080 -12.695 170 QB GLU 17 QB GLU 17 -4.926 1.193 -13.508 171 QG GLU 17 QG GLU 17 -7.154 0.266 -12.864 172 H GLU 18 H GLU 18 -2.636 -0.027 -10.771 173 HA GLU 18 HA GLU 18 -3.592 -2.781 -10.352 174 1HB GLU 18 1HB GLU 18 -1.188 -1.702 -11.409 175 2HB GLU 18 2HB GLU 18 -0.768 -2.242 -9.784 176 1HG GLU 18 1HG GLU 18 -1.991 -4.415 -10.210 177 2HG GLU 18 2HG GLU 18 -2.184 -3.931 -11.892 178 QB GLU 18 QB GLU 18 -0.978 -1.972 -10.596 179 QG GLU 18 QG GLU 18 -2.088 -4.173 -11.051 180 H ILE 19 H ILE 19 -2.286 0.096 -8.770 181 HA ILE 19 HA ILE 19 -2.042 -0.818 -6.109 182 HB ILE 19 HB ILE 19 -2.780 1.902 -7.134 183 1HG1 ILE 19 1HG1 ILE 19 -0.313 0.748 -5.738 184 2HG1 ILE 19 2HG1 ILE 19 -0.470 0.930 -7.484 185 1HG2 ILE 19 1HG2 ILE 19 -2.378 1.070 -4.234 186 2HG2 ILE 19 2HG2 ILE 19 -2.509 2.734 -4.856 187 3HG2 ILE 19 3HG2 ILE 19 -3.884 1.696 -4.945 188 1HD1 ILE 19 3HD1 ILE 19 -0.775 3.400 -7.158 189 2HD1 ILE 19 1HD1 ILE 19 -0.388 3.164 -5.445 190 3HD1 ILE 19 2HD1 ILE 19 0.811 2.768 -6.677 191 QG1 ILE 19 QG1 ILE 19 -0.392 0.839 -6.611 192 QG2 ILE 19 QG2 ILE 19 -2.924 1.834 -4.678 193 QD1 ILE 19 QD1 ILE 19 -0.117 3.111 -6.427 194 H LYS 20 H LYS 20 -4.859 0.877 -7.526 195 HA LYS 20 HA LYS 20 -6.698 0.285 -5.488 196 1HB LYS 20 1HB LYS 20 -7.136 0.835 -8.445 197 2HB LYS 20 2HB LYS 20 -8.447 0.699 -7.265 198 1HG LYS 20 1HG LYS 20 -7.385 2.515 -5.894 199 2HG LYS 20 2HG LYS 20 -6.154 2.719 -7.153 200 1HD LYS 20 1HD LYS 20 -7.912 3.302 -8.785 201 2HD LYS 20 2HD LYS 20 -9.159 3.033 -7.552 202 1HE LYS 20 1HE LYS 20 -9.000 5.279 -7.295 203 2HE LYS 20 2HE LYS 20 -7.689 4.818 -6.212 204 1HZ LYS 20 3HZ LYS 20 -6.170 5.161 -8.143 205 2HZ LYS 20 1HZ LYS 20 -7.438 5.768 -9.005 206 3HZ LYS 20 2HZ LYS 20 -6.910 6.535 -7.687 207 QB LYS 20 QB LYS 20 -7.792 0.767 -7.855 208 QG LYS 20 QG LYS 20 -6.770 2.617 -6.524 209 QD LYS 20 QD LYS 20 -8.535 3.167 -8.168 210 QE LYS 20 QE LYS 20 -8.344 5.049 -6.753 211 QZ LYS 20 QZ LYS 20 -6.839 5.822 -8.278 212 H ARG 21 H ARG 21 -5.756 -1.737 -8.250 213 HA ARG 21 HA ARG 21 -7.793 -3.710 -7.930 214 1HB ARG 21 1HB ARG 21 -5.960 -3.143 -9.782 215 2HB ARG 21 2HB ARG 21 -5.045 -4.407 -9.024 216 1HG ARG 21 1HG ARG 21 -7.871 -4.562 -10.175 217 2HG ARG 21 2HG ARG 21 -6.404 -5.038 -11.027 218 1HD ARG 21 1HD ARG 21 -6.029 -6.909 -9.545 219 2HD ARG 21 2HD ARG 21 -7.333 -6.379 -8.467 220 HE ARG 21 HE ARG 21 -8.973 -6.940 -10.052 221 1HH1 ARG 21 2HH2 ARG 21 -5.769 -7.671 -11.459 222 2HH1 ARG 21 1HH2 ARG 21 -6.462 -8.543 -12.772 223 1HH2 ARG 21 2HH1 ARG 21 -9.805 -7.937 -11.758 224 2HH2 ARG 21 1HH1 ARG 21 -8.858 -8.869 -12.870 225 QB ARG 21 QB ARG 21 -5.502 -3.775 -9.403 226 QG ARG 21 QG ARG 21 -7.138 -4.800 -10.601 227 QD ARG 21 QD ARG 21 -6.681 -6.644 -9.006 228 QH1 ARG 21 QH2 ARG 21 -6.115 -8.107 -12.115 229 QH2 ARG 21 QH1 ARG 21 -9.332 -8.403 -12.314 230 H ALA 22 H ALA 22 -4.454 -3.450 -6.617 231 HA ALA 22 HA ALA 22 -4.537 -5.968 -5.222 232 1HB ALA 22 1HB ALA 22 -2.459 -4.981 -6.006 233 2HB ALA 22 2HB ALA 22 -2.697 -3.582 -4.929 234 3HB ALA 22 3HB ALA 22 -2.430 -5.204 -4.252 235 QB ALA 22 QB ALA 22 -2.529 -4.589 -5.063 236 H TYR 23 H TYR 23 -5.239 -2.565 -4.286 237 HA TYR 23 HA TYR 23 -5.383 -2.485 -1.658 238 1HB TYR 23 1HB TYR 23 -6.284 -1.096 -3.906 239 2HB TYR 23 2HB TYR 23 -7.762 -1.449 -3.112 240 HD1 TYR 23 2HD TYR 23 -4.451 0.173 -2.765 241 HD2 TYR 23 1HD TYR 23 -8.539 -0.060 -1.374 242 HE1 TYR 23 2HE TYR 23 -4.120 2.258 -1.480 243 HE2 TYR 23 1HE TYR 23 -8.224 2.060 -0.131 244 HH TYR 23 HH TYR 23 -5.078 3.705 0.098 245 QB TYR 23 QB TYR 23 -7.023 -1.272 -3.509 246 QG TYR 23 QD TYR 23 -6.495 0.057 -2.070 247 QZ TYR 23 QE TYR 23 -6.172 2.159 -0.806 248 QR TYR 23 QR TYR 23 -6.334 1.108 -1.438 249 H ARG 24 H ARG 24 -8.300 -3.327 -3.486 250 HA ARG 24 HA ARG 24 -9.815 -4.475 -1.417 251 1HB ARG 24 1HB ARG 24 -11.070 -5.586 -3.309 252 2HB ARG 24 2HB ARG 24 -10.876 -3.836 -3.445 253 1HG ARG 24 1HG ARG 24 -8.972 -4.177 -5.029 254 2HG ARG 24 2HG ARG 24 -9.238 -5.921 -4.959 255 1HD ARG 24 1HD ARG 24 -11.314 -3.907 -5.867 256 2HD ARG 24 2HD ARG 24 -10.161 -4.655 -6.952 257 HE ARG 24 HE ARG 24 -12.536 -5.877 -5.800 258 1HH1 ARG 24 2HH2 ARG 24 -9.369 -6.576 -7.206 259 2HH1 ARG 24 1HH2 ARG 24 -9.853 -8.109 -7.892 260 1HH2 ARG 24 2HH1 ARG 24 -13.185 -7.787 -6.670 261 2HH2 ARG 24 1HH1 ARG 24 -12.161 -8.753 -7.724 262 QB ARG 24 QB ARG 24 -10.973 -4.711 -3.377 263 QG ARG 24 QG ARG 24 -9.105 -5.049 -4.994 264 QD ARG 24 QD ARG 24 -10.738 -4.281 -6.409 265 QH1 ARG 24 QH2 ARG 24 -9.611 -7.342 -7.549 266 QH2 ARG 24 QH1 ARG 24 -12.673 -8.270 -7.197 267 H ARG 25 H ARG 25 -7.426 -6.042 -3.555 268 HA ARG 25 HA ARG 25 -8.133 -8.719 -2.800 269 1HB ARG 25 1HB ARG 25 -5.573 -7.536 -3.973 270 2HB ARG 25 2HB ARG 25 -5.766 -9.249 -3.618 271 1HG ARG 25 1HG ARG 25 -7.608 -9.464 -5.129 272 2HG ARG 25 2HG ARG 25 -7.683 -7.734 -5.433 273 1HD ARG 25 1HD ARG 25 -6.580 -9.049 -7.281 274 2HD ARG 25 2HD ARG 25 -5.615 -7.725 -6.627 275 HE ARG 25 HE ARG 25 -4.012 -9.189 -6.020 276 1HH1 ARG 25 2HH2 ARG 25 -7.012 -11.167 -6.377 277 2HH1 ARG 25 1HH2 ARG 25 -6.143 -12.643 -6.135 278 1HH2 ARG 25 2HH1 ARG 25 -2.976 -11.195 -5.558 279 2HH2 ARG 25 1HH1 ARG 25 -3.871 -12.651 -5.641 280 QB ARG 25 QB ARG 25 -5.670 -8.393 -3.796 281 QG ARG 25 QG ARG 25 -7.646 -8.599 -5.281 282 QD ARG 25 QD ARG 25 -6.098 -8.387 -6.954 283 QH1 ARG 25 QH2 ARG 25 -6.578 -11.905 -6.256 284 QH2 ARG 25 QH1 ARG 25 -3.423 -11.923 -5.599 285 H GLN 26 H GLN 26 -5.672 -6.405 -1.384 286 HA GLN 26 HA GLN 26 -4.792 -8.338 0.518 287 1HB GLN 26 1HB GLN 26 -3.738 -6.059 -0.624 288 2HB GLN 26 2HB GLN 26 -4.564 -5.304 0.717 289 1HG GLN 26 1HG GLN 26 -2.512 -5.665 1.559 290 2HG GLN 26 2HG GLN 26 -3.371 -7.122 2.137 291 1HE2 GLN 26 2HE2 GLN 26 0.044 -7.803 0.360 292 2HE2 GLN 26 1HE2 GLN 26 -0.335 -6.344 1.238 293 QB GLN 26 QB GLN 26 -4.151 -5.681 0.047 294 QG GLN 26 QG GLN 26 -2.941 -6.394 1.848 295 QE2 GLN 26 QE2 GLN 26 -0.145 -7.073 0.799 296 H ALA 27 H ALA 27 -6.899 -5.365 0.707 297 HA ALA 27 HA ALA 27 -7.181 -5.562 3.496 298 1HB ALA 27 1HB ALA 27 -9.038 -4.322 1.422 299 2HB ALA 27 2HB ALA 27 -9.145 -4.068 3.179 300 3HB ALA 27 3HB ALA 27 -7.693 -3.548 2.313 301 QB ALA 27 QB ALA 27 -8.625 -3.979 2.304 302 H LEU 28 H LEU 28 -9.270 -6.964 0.894 303 HA LEU 28 HA LEU 28 -11.203 -7.999 2.734 304 1HB LEU 28 1HB LEU 28 -11.498 -7.467 0.289 305 2HB LEU 28 2HB LEU 28 -10.586 -8.929 -0.091 306 HG LEU 28 HG LEU 28 -12.340 -10.327 0.840 307 1HD1 LEU 28 2HD1 LEU 28 -13.624 -7.725 1.748 308 2HD1 LEU 28 3HD1 LEU 28 -14.514 -9.241 1.648 309 3HD1 LEU 28 1HD1 LEU 28 -13.145 -9.102 2.764 310 1HD2 LEU 28 1HD2 LEU 28 -12.597 -9.514 -1.468 311 2HD2 LEU 28 2HD2 LEU 28 -14.165 -9.787 -0.693 312 3HD2 LEU 28 3HD2 LEU 28 -13.549 -8.136 -0.876 313 QB LEU 28 QB LEU 28 -11.042 -8.198 0.099 314 QD1 LEU 28 QD1 LEU 28 -13.761 -8.689 2.053 315 QD2 LEU 28 QD2 LEU 28 -13.437 -9.146 -1.012 316 QQD LEU 28 QQD LEU 28 -13.599 -8.918 0.520 317 H ARG 29 H ARG 29 -7.983 -8.998 2.357 318 HA ARG 29 HA ARG 29 -8.456 -11.808 3.010 319 1HB ARG 29 1HB ARG 29 -6.725 -10.703 1.359 320 2HB ARG 29 2HB ARG 29 -5.797 -10.324 2.787 321 1HG ARG 29 1HG ARG 29 -5.767 -12.745 3.398 322 2HG ARG 29 2HG ARG 29 -6.748 -13.073 1.953 323 1HD ARG 29 1HD ARG 29 -3.898 -12.037 2.083 324 2HD ARG 29 2HD ARG 29 -4.423 -13.619 1.491 325 HE ARG 29 HE ARG 29 -5.756 -12.146 -0.197 326 1HH1 ARG 29 2HH2 ARG 29 -2.338 -12.081 0.567 327 2HH1 ARG 29 1HH2 ARG 29 -1.902 -10.786 -0.500 328 1HH2 ARG 29 2HH1 ARG 29 -5.273 -10.345 -1.568 329 2HH2 ARG 29 1HH1 ARG 29 -3.628 -9.914 -1.953 330 QB ARG 29 QB ARG 29 -6.261 -10.514 2.073 331 QG ARG 29 QG ARG 29 -6.257 -12.909 2.676 332 QD ARG 29 QD ARG 29 -4.161 -12.828 1.787 333 QH1 ARG 29 QH2 ARG 29 -2.120 -11.433 0.034 334 QH2 ARG 29 QH1 ARG 29 -4.450 -10.130 -1.761 335 H TYR 30 H TYR 30 -8.122 -8.795 4.717 336 HA TYR 30 HA TYR 30 -7.250 -10.098 7.183 337 1HB TYR 30 1HB TYR 30 -6.035 -7.580 5.984 338 2HB TYR 30 2HB TYR 30 -5.612 -8.284 7.541 339 HD1 TYR 30 2HD TYR 30 -4.884 -10.870 7.411 340 HD2 TYR 30 1HD TYR 30 -4.634 -8.069 4.171 341 HE1 TYR 30 2HE TYR 30 -3.309 -12.365 6.268 342 HE2 TYR 30 1HE TYR 30 -2.970 -9.514 3.025 343 HH TYR 30 HH TYR 30 -2.074 -12.735 4.339 344 QB TYR 30 QB TYR 30 -5.824 -7.932 6.763 345 QG TYR 30 QD TYR 30 -4.759 -9.469 5.791 346 QZ TYR 30 QE TYR 30 -3.139 -10.939 4.646 347 QR TYR 30 QR TYR 30 -3.949 -10.204 5.219 348 H HIS 31 H HIS 31 -9.615 -8.389 5.763 349 HA HIS 31 HA HIS 31 -10.166 -6.078 7.129 350 1HB HIS 31 1HB HIS 31 -11.366 -7.763 5.213 351 2HB HIS 31 2HB HIS 31 -12.510 -7.814 6.518 352 HD1 HIS 31 1HD HIS 31 -13.222 -4.884 7.308 353 HD2 HIS 31 2HD HIS 31 -11.820 -6.044 3.485 354 HE1 HIS 31 1HE HIS 31 -14.024 -3.169 5.733 355 QB HIS 31 QB HIS 31 -11.938 -7.788 5.865 356 HA PRO 32 HA PRO 32 -11.492 -7.356 11.369 357 1HB PRO 32 1HB PRO 32 -13.498 -5.166 10.825 358 2HB PRO 32 2HB PRO 32 -12.527 -5.448 12.291 359 1HG PRO 32 1HG PRO 32 -11.843 -3.521 10.508 360 2HG PRO 32 2HG PRO 32 -10.600 -4.521 11.308 361 1HD PRO 32 1HD PRO 32 -11.635 -4.715 8.514 362 2HD PRO 32 2HD PRO 32 -9.996 -5.031 9.147 363 QB PRO 32 QB PRO 32 -13.012 -5.307 11.558 364 QG PRO 32 QG PRO 32 -11.222 -4.021 10.908 365 QD PRO 32 QD PRO 32 -10.816 -4.873 8.831 366 H ASP 33 H ASP 33 -13.667 -6.720 8.695 367 HA ASP 33 HA ASP 33 -15.991 -7.883 9.824 368 1HB ASP 33 1HB ASP 33 -15.320 -7.032 6.969 369 2HB ASP 33 2HB ASP 33 -16.934 -7.475 7.513 370 QB ASP 33 QB ASP 33 -16.127 -7.253 7.241 371 H LYS 34 H LYS 34 -13.362 -9.392 8.161 372 HA LYS 34 HA LYS 34 -15.195 -11.489 7.000 373 1HB LYS 34 1HB LYS 34 -14.351 -10.039 5.255 374 2HB LYS 34 2HB LYS 34 -12.728 -10.099 5.914 375 1HG LYS 34 1HG LYS 34 -12.788 -11.408 3.929 376 2HG LYS 34 2HG LYS 34 -12.455 -12.451 5.296 377 1HD LYS 34 1HD LYS 34 -14.016 -13.670 3.982 378 2HD LYS 34 2HD LYS 34 -14.988 -13.015 5.289 379 1HE LYS 34 1HE LYS 34 -16.309 -12.540 3.420 380 2HE LYS 34 2HE LYS 34 -15.463 -11.012 3.692 381 1HZ LYS 34 3HZ LYS 34 -13.783 -11.927 2.030 382 2HZ LYS 34 1HZ LYS 34 -14.847 -13.067 1.664 383 3HZ LYS 34 2HZ LYS 34 -15.253 -11.481 1.404 384 QB LYS 34 QB LYS 34 -13.540 -10.069 5.584 385 QG LYS 34 QG LYS 34 -12.622 -11.929 4.612 386 QD LYS 34 QD LYS 34 -14.502 -13.343 4.636 387 QE LYS 34 QE LYS 34 -15.886 -11.776 3.556 388 QZ LYS 34 QZ LYS 34 -14.628 -12.158 1.699 389 H ASN 35 H ASN 35 -12.058 -10.937 8.591 390 HA ASN 35 HA ASN 35 -11.732 -13.864 9.037 391 1HB ASN 35 1HB ASN 35 -9.226 -13.105 8.930 392 2HB ASN 35 2HB ASN 35 -10.082 -13.276 7.401 393 1HD2 ASN 35 2HD2 ASN 35 -8.976 -9.603 8.756 394 2HD2 ASN 35 1HD2 ASN 35 -8.154 -11.121 9.019 395 QB ASN 35 QB ASN 35 -9.654 -13.191 8.166 396 QD2 ASN 35 QD2 ASN 35 -8.565 -10.362 8.887 397 H LYS 36 H LYS 36 -12.681 -11.171 10.598 398 HA LYS 36 HA LYS 36 -12.519 -10.232 12.591 399 1HB LYS 36 1HB LYS 36 -11.869 -13.056 13.281 400 2HB LYS 36 2HB LYS 36 -12.098 -11.833 14.515 401 1HG LYS 36 1HG LYS 36 -14.421 -11.423 13.289 402 2HG LYS 36 2HG LYS 36 -14.103 -13.017 12.611 403 1HD LYS 36 1HD LYS 36 -15.298 -13.594 14.488 404 2HD LYS 36 2HD LYS 36 -13.671 -13.721 15.135 405 1HE LYS 36 1HE LYS 36 -15.608 -11.371 15.478 406 2HE LYS 36 2HE LYS 36 -15.240 -12.598 16.690 407 1HZ LYS 36 1HZ LYS 36 -12.942 -11.743 16.724 408 2HZ LYS 36 2HZ LYS 36 -13.402 -10.537 15.669 409 3HZ LYS 36 3HZ LYS 36 -14.050 -10.616 17.156 410 QB LYS 36 QB LYS 36 -11.984 -12.444 13.898 411 QG LYS 36 QG LYS 36 -14.262 -12.220 12.950 412 QD LYS 36 QD LYS 36 -14.485 -13.658 14.811 413 QE LYS 36 QE LYS 36 -15.424 -11.985 16.084 414 QZ LYS 36 QZ LYS 36 -13.465 -10.966 16.516 415 H GLU 37 H GLU 37 -10.004 -9.939 10.967 416 HA GLU 37 HA GLU 37 -7.824 -9.596 11.124 417 1HB GLU 37 1HB GLU 37 -9.289 -7.629 11.292 418 2HB GLU 37 2HB GLU 37 -9.130 -7.700 13.048 419 1HG GLU 37 1HG GLU 37 -6.572 -7.686 12.520 420 2HG GLU 37 2HG GLU 37 -7.017 -7.167 10.905 421 QB GLU 37 QB GLU 37 -9.209 -7.664 12.170 422 QG GLU 37 QG GLU 37 -6.795 -7.426 11.712 423 HA PRO 38 HA PRO 38 -6.936 -12.089 14.977 424 1HB PRO 38 1HB PRO 38 -5.546 -14.111 13.848 425 2HB PRO 38 2HB PRO 38 -7.306 -13.950 13.670 426 1HG PRO 38 1HG PRO 38 -5.178 -13.007 11.727 427 2HG PRO 38 2HG PRO 38 -6.574 -14.090 11.395 428 1HD PRO 38 1HD PRO 38 -6.733 -11.431 10.935 429 2HD PRO 38 2HD PRO 38 -8.111 -12.329 11.605 430 QB PRO 38 QB PRO 38 -6.426 -14.031 13.759 431 QG PRO 38 QG PRO 38 -5.876 -13.548 11.561 432 QD PRO 38 QD PRO 38 -7.422 -11.880 11.270 433 H GLY 39 H GLY 39 -4.208 -13.261 14.751 434 1HA GLY 39 1HA GLY 39 -2.392 -11.231 15.495 435 2HA GLY 39 2HA GLY 39 -1.976 -12.789 14.767 436 QA GLY 39 QA GLY 39 -2.184 -12.010 15.131 437 H ALA 40 H ALA 40 -3.893 -11.528 12.490 438 HA ALA 40 HA ALA 40 -1.957 -10.376 10.679 439 1HB ALA 40 2HB ALA 40 -4.118 -11.506 9.987 440 2HB ALA 40 3HB ALA 40 -4.993 -10.143 10.731 441 3HB ALA 40 1HB ALA 40 -3.930 -9.859 9.354 442 QB ALA 40 QB ALA 40 -4.347 -10.503 10.024 443 H GLU 41 H GLU 41 -3.565 -9.051 13.531 444 HA GLU 41 HA GLU 41 -4.413 -6.624 12.679 445 1HB GLU 41 1HB GLU 41 -4.653 -7.606 14.966 446 2HB GLU 41 2HB GLU 41 -2.955 -7.255 15.275 447 1HG GLU 41 1HG GLU 41 -3.779 -4.743 14.643 448 2HG GLU 41 2HG GLU 41 -5.329 -5.406 15.174 449 QB GLU 41 QB GLU 41 -3.804 -7.431 15.121 450 QG GLU 41 QG GLU 41 -4.554 -5.074 14.908 451 H GLU 42 H GLU 42 -1.078 -7.290 13.767 452 HA GLU 42 HA GLU 42 0.036 -4.711 13.330 453 1HB GLU 42 1HB GLU 42 1.112 -6.622 14.506 454 2HB GLU 42 2HB GLU 42 1.340 -7.430 12.960 455 1HG GLU 42 1HG GLU 42 3.397 -6.413 13.575 456 2HG GLU 42 2HG GLU 42 2.767 -5.500 12.209 457 QB GLU 42 QB GLU 42 1.226 -7.026 13.733 458 QG GLU 42 QG GLU 42 3.082 -5.956 12.892 459 H LYS 43 H LYS 43 -0.326 -7.482 11.196 460 HA LYS 43 HA LYS 43 1.006 -6.517 8.952 461 1HB LYS 43 1HB LYS 43 -0.373 -8.921 9.796 462 2HB LYS 43 2HB LYS 43 -0.976 -8.503 8.194 463 1HG LYS 43 1HG LYS 43 1.279 -8.437 7.313 464 2HG LYS 43 2HG LYS 43 1.955 -8.572 8.951 465 1HD LYS 43 1HD LYS 43 1.260 -10.855 9.145 466 2HD LYS 43 2HD LYS 43 0.351 -10.774 7.627 467 1HE LYS 43 1HE LYS 43 2.589 -11.916 7.415 468 2HE LYS 43 2HE LYS 43 2.363 -10.547 6.322 469 1HZ LYS 43 1HZ LYS 43 3.890 -10.358 8.854 470 2HZ LYS 43 2HZ LYS 43 4.554 -10.552 7.374 471 3HZ LYS 43 3HZ LYS 43 3.718 -9.196 7.723 472 QB LYS 43 QB LYS 43 -0.675 -8.712 8.995 473 QG LYS 43 QG LYS 43 1.617 -8.504 8.132 474 QD LYS 43 QD LYS 43 0.806 -10.815 8.386 475 QE LYS 43 QE LYS 43 2.476 -11.232 6.868 476 QZ LYS 43 QZ LYS 43 4.054 -10.035 7.984 477 H PHE 44 H PHE 44 -2.410 -6.372 9.884 478 HA PHE 44 HA PHE 44 -3.395 -5.244 7.432 479 1HB PHE 44 1HB PHE 44 -4.792 -6.471 9.083 480 2HB PHE 44 2HB PHE 44 -4.546 -5.187 10.247 481 HD1 PHE 44 1HD PHE 44 -5.594 -5.428 6.604 482 HD2 PHE 44 2HD PHE 44 -6.392 -3.735 10.492 483 HE1 PHE 44 1HE PHE 44 -7.599 -4.263 5.704 484 HE2 PHE 44 2HE PHE 44 -8.357 -2.574 9.590 485 1HZ PHE 44 HZ PHE 44 -8.968 -2.824 7.189 486 QB PHE 44 QB PHE 44 -4.669 -5.829 9.665 487 QG PHE 44 QD PHE 44 -5.993 -4.582 8.548 488 QZ PHE 44 QE PHE 44 -7.978 -3.418 7.647 489 QZ PHE 44 QR PHE 44 -7.382 -3.765 7.916 490 H LYS 45 H LYS 45 -2.384 -3.850 10.594 491 HA LYS 45 HA LYS 45 -2.798 -1.145 9.802 492 1HB LYS 45 1HB LYS 45 -2.147 -2.350 12.142 493 2HB LYS 45 2HB LYS 45 -0.556 -1.811 11.671 494 1HG LYS 45 1HG LYS 45 -3.038 -0.061 12.009 495 2HG LYS 45 2HG LYS 45 -1.724 -0.257 13.175 496 1HD LYS 45 1HD LYS 45 -0.151 0.610 11.331 497 2HD LYS 45 2HD LYS 45 -1.610 1.141 10.476 498 1HE LYS 45 1HE LYS 45 -0.856 1.931 13.323 499 2HE LYS 45 2HE LYS 45 -0.507 2.896 11.891 500 1HZ LYS 45 3HZ LYS 45 -2.841 3.076 11.456 501 2HZ LYS 45 1HZ LYS 45 -3.230 2.220 12.826 502 3HZ LYS 45 2HZ LYS 45 -2.484 3.664 12.951 503 QB LYS 45 QB LYS 45 -1.351 -2.081 11.907 504 QG LYS 45 QG LYS 45 -2.381 -0.159 12.592 505 QD LYS 45 QD LYS 45 -0.880 0.875 10.904 506 QE LYS 45 QE LYS 45 -0.682 2.414 12.607 507 QZ LYS 45 QZ LYS 45 -2.851 2.987 12.411 508 H GLU 46 H GLU 46 -0.021 -3.371 9.274 509 HA GLU 46 HA GLU 46 1.726 -1.454 8.182 510 1HB GLU 46 1HB GLU 46 1.678 -4.176 8.767 511 2HB GLU 46 2HB GLU 46 2.033 -4.141 7.056 512 1HG GLU 46 1HG GLU 46 3.515 -2.495 9.155 513 2HG GLU 46 2HG GLU 46 3.940 -4.156 8.754 514 QB GLU 46 QB GLU 46 1.856 -4.159 7.911 515 QG GLU 46 QG GLU 46 3.728 -3.326 8.954 516 H ILE 47 H ILE 47 -0.693 -3.650 6.677 517 HA ILE 47 HA ILE 47 -0.398 -2.810 3.977 518 HB ILE 47 HB ILE 47 -2.854 -3.820 5.444 519 1HG1 ILE 47 1HG1 ILE 47 -1.193 -5.197 3.298 520 2HG1 ILE 47 2HG1 ILE 47 -0.687 -5.242 4.965 521 1HG2 ILE 47 1HG2 ILE 47 -2.493 -3.320 2.449 522 2HG2 ILE 47 2HG2 ILE 47 -3.849 -4.215 3.163 523 3HG2 ILE 47 3HG2 ILE 47 -3.661 -2.508 3.509 524 1HD1 ILE 47 3HD1 ILE 47 -3.461 -6.120 4.143 525 2HD1 ILE 47 1HD1 ILE 47 -2.053 -7.207 4.282 526 3HD1 ILE 47 2HD1 ILE 47 -2.666 -6.340 5.705 527 QG1 ILE 47 QG1 ILE 47 -0.940 -5.219 4.132 528 QG2 ILE 47 QG2 ILE 47 -3.334 -3.348 3.040 529 QD1 ILE 47 QD1 ILE 47 -2.727 -6.556 4.710 530 H ALA 48 H ALA 48 -2.430 -1.474 6.651 531 HA ALA 48 HA ALA 48 -3.676 0.569 5.193 532 1HB ALA 48 1HB ALA 48 -4.401 -0.218 7.409 533 2HB ALA 48 2HB ALA 48 -2.980 0.574 8.140 534 3HB ALA 48 3HB ALA 48 -4.207 1.546 7.320 535 QB ALA 48 QB ALA 48 -3.863 0.634 7.623 536 H GLU 49 H GLU 49 -0.451 0.455 6.630 537 HA GLU 49 HA GLU 49 0.040 3.302 6.420 538 1HB GLU 49 1HB GLU 49 1.218 1.462 7.925 539 2HB GLU 49 2HB GLU 49 2.224 1.201 6.500 540 1HG GLU 49 1HG GLU 49 3.309 2.782 7.976 541 2HG GLU 49 2HG GLU 49 2.819 3.635 6.513 542 QB GLU 49 QB GLU 49 1.721 1.332 7.212 543 QG GLU 49 QG GLU 49 3.064 3.208 7.245 544 H ALA 50 H ALA 50 0.613 0.477 4.337 545 HA ALA 50 HA ALA 50 1.872 2.072 2.271 546 1HB ALA 50 1HB ALA 50 2.276 -0.332 2.399 547 2HB ALA 50 2HB ALA 50 0.554 -0.665 2.106 548 3HB ALA 50 3HB ALA 50 1.538 0.098 0.843 549 QB ALA 50 QB ALA 50 1.456 -0.300 1.783 550 H TYR 51 H TYR 51 -1.363 0.972 3.017 551 HA TYR 51 HA TYR 51 -2.776 1.403 0.683 552 1HB TYR 51 1HB TYR 51 -3.298 0.462 3.137 553 2HB TYR 51 2HB TYR 51 -3.999 2.025 3.366 554 HD1 TYR 51 1HD TYR 51 -3.958 -0.928 1.077 555 HD2 TYR 51 2HD TYR 51 -6.328 2.042 3.103 556 HE1 TYR 51 1HE TYR 51 -6.022 -2.204 0.514 557 HE2 TYR 51 2HE TYR 51 -8.372 0.801 2.521 558 HH TYR 51 HH TYR 51 -9.118 -1.285 1.892 559 QB TYR 51 QB TYR 51 -3.649 1.244 3.251 560 QG TYR 51 QD TYR 51 -5.143 0.557 2.090 561 QZ TYR 51 QE TYR 51 -7.197 -0.702 1.518 562 QR TYR 51 QR TYR 51 -6.170 -0.072 1.804 563 H ASP 52 H ASP 52 -2.102 3.715 3.347 564 HA ASP 52 HA ASP 52 -3.681 5.853 2.351 565 1HB ASP 52 1HB ASP 52 -2.661 5.613 4.681 566 2HB ASP 52 2HB ASP 52 -1.163 6.248 4.000 567 QB ASP 52 QB ASP 52 -1.912 5.930 4.341 568 H VAL 53 H VAL 53 -0.096 5.441 2.163 569 HA VAL 53 HA VAL 53 0.356 7.689 0.513 570 HB VAL 53 HB VAL 53 1.850 5.082 0.979 571 1HG1 VAL 53 2HG1 VAL 53 2.732 7.399 -0.765 572 2HG1 VAL 53 3HG1 VAL 53 3.860 6.182 -0.087 573 3HG1 VAL 53 1HG1 VAL 53 2.596 5.688 -1.207 574 1HG2 VAL 53 3HG2 VAL 53 2.336 7.932 1.846 575 2HG2 VAL 53 1HG2 VAL 53 1.781 6.602 2.874 576 3HG2 VAL 53 2HG2 VAL 53 3.427 6.571 2.202 577 QG1 VAL 53 QG1 VAL 53 3.062 6.423 -0.686 578 QG2 VAL 53 QG2 VAL 53 2.515 7.035 2.307 579 QQG VAL 53 QQG VAL 53 2.789 6.729 0.811 580 H LEU 54 H LEU 54 -0.233 4.244 -0.368 581 HA LEU 54 HA LEU 54 0.262 4.670 -3.130 582 1HB LEU 54 1HB LEU 54 -1.371 2.575 -1.685 583 2HB LEU 54 2HB LEU 54 -0.857 2.603 -3.368 584 HG LEU 54 HG LEU 54 1.182 2.460 -1.173 585 1HD1 LEU 54 1HD1 LEU 54 -0.101 0.255 -2.852 586 2HD1 LEU 54 2HD1 LEU 54 1.273 0.050 -1.754 587 3HD1 LEU 54 3HD1 LEU 54 -0.302 0.494 -1.096 588 1HD2 LEU 54 3HD2 LEU 54 1.355 1.937 -4.164 589 2HD2 LEU 54 1HD2 LEU 54 2.085 3.286 -3.260 590 3HD2 LEU 54 2HD2 LEU 54 2.637 1.646 -2.974 591 QB LEU 54 QB LEU 54 -1.114 2.589 -2.527 592 QD1 LEU 54 QD1 LEU 54 0.290 0.266 -1.900 593 QD2 LEU 54 QD2 LEU 54 2.025 2.290 -3.466 594 QQD LEU 54 QQD LEU 54 1.158 1.278 -2.683 595 H SER 55 H SER 55 -2.356 5.725 -1.127 596 HA SER 55 HA SER 55 -4.039 6.289 -3.505 597 1HB SER 55 1HB SER 55 -5.921 6.390 -2.040 598 2HB SER 55 2HB SER 55 -5.077 4.861 -1.819 599 HG SER 55 HG SER 55 -3.958 6.257 -0.021 600 QB SER 55 QB SER 55 -5.499 5.625 -1.930 601 H ASP 56 H ASP 56 -1.668 7.878 -1.691 602 HA ASP 56 HA ASP 56 -3.003 10.467 -2.322 603 1HB ASP 56 1HB ASP 56 -2.629 10.333 0.072 604 2HB ASP 56 2HB ASP 56 -0.946 9.905 -0.195 605 QB ASP 56 QB ASP 56 -1.787 10.119 -0.062 606 HA PRO 57 HA PRO 57 0.389 9.681 -5.239 607 1HB PRO 57 1HB PRO 57 -0.349 11.435 -7.201 608 2HB PRO 57 2HB PRO 57 -1.053 9.805 -6.994 609 1HG PRO 57 1HG PRO 57 -2.167 12.453 -6.026 610 2HG PRO 57 2HG PRO 57 -3.028 11.143 -6.900 611 1HD PRO 57 1HD PRO 57 -3.157 11.380 -4.203 612 2HD PRO 57 2HD PRO 57 -3.063 9.769 -4.970 613 QB PRO 57 QB PRO 57 -0.701 10.620 -7.098 614 QG PRO 57 QG PRO 57 -2.598 11.798 -6.463 615 QD PRO 57 QD PRO 57 -3.110 10.574 -4.586 616 H ARG 58 H ARG 58 -0.480 12.565 -3.432 617 HA ARG 58 HA ARG 58 1.961 13.979 -4.321 618 1HB ARG 58 1HB ARG 58 -0.281 14.710 -2.441 619 2HB ARG 58 2HB ARG 58 1.303 15.458 -2.297 620 1HG ARG 58 1HG ARG 58 0.255 16.932 -3.717 621 2HG ARG 58 2HG ARG 58 1.173 15.940 -4.829 622 1HD ARG 58 1HD ARG 58 -0.959 16.194 -5.828 623 2HD ARG 58 2HD ARG 58 -0.976 14.556 -5.187 624 HE ARG 58 HE ARG 58 -2.607 15.165 -3.643 625 1HH1 ARG 58 2HH2 ARG 58 -1.136 18.113 -4.973 626 2HH1 ARG 58 1HH2 ARG 58 -2.430 19.152 -4.467 627 1HH2 ARG 58 2HH1 ARG 58 -4.280 16.574 -2.859 628 2HH2 ARG 58 1HH1 ARG 58 -3.932 18.263 -2.785 629 QB ARG 58 QB ARG 58 0.511 15.084 -2.369 630 QG ARG 58 QG ARG 58 0.714 16.436 -4.273 631 QD ARG 58 QD ARG 58 -0.968 15.375 -5.508 632 QH1 ARG 58 QH2 ARG 58 -1.783 18.633 -4.720 633 QH2 ARG 58 QH1 ARG 58 -4.106 17.418 -2.822 634 H LYS 59 H LYS 59 0.896 11.800 -1.680 635 HA LYS 59 HA LYS 59 3.340 12.329 -0.179 636 1HB LYS 59 1HB LYS 59 1.053 11.113 0.510 637 2HB LYS 59 2HB LYS 59 1.962 9.670 0.101 638 1HG LYS 59 1HG LYS 59 2.326 11.723 2.208 639 2HG LYS 59 2HG LYS 59 2.246 10.027 2.453 640 1HD LYS 59 1HD LYS 59 4.713 11.324 1.187 641 2HD LYS 59 2HD LYS 59 4.377 11.392 2.903 642 1HE LYS 59 1HE LYS 59 4.120 8.851 2.843 643 2HE LYS 59 2HE LYS 59 4.960 8.919 1.276 644 1HZ LYS 59 3HZ LYS 59 5.988 10.202 3.747 645 2HZ LYS 59 1HZ LYS 59 6.322 8.678 3.420 646 3HZ LYS 59 2HZ LYS 59 6.863 9.871 2.403 647 QB LYS 59 QB LYS 59 1.507 10.392 0.306 648 QG LYS 59 QG LYS 59 2.286 10.875 2.331 649 QD LYS 59 QD LYS 59 4.545 11.358 2.045 650 QE LYS 59 QE LYS 59 4.540 8.885 2.060 651 QZ LYS 59 QZ LYS 59 6.391 9.584 3.190 652 H ARG 60 H ARG 60 2.060 9.878 -2.440 653 HA ARG 60 HA ARG 60 4.432 8.431 -2.897 654 1HB ARG 60 1HB ARG 60 1.764 8.300 -3.691 655 2HB ARG 60 2HB ARG 60 2.574 8.700 -5.206 656 1HG ARG 60 1HG ARG 60 4.028 6.726 -4.975 657 2HG ARG 60 2HG ARG 60 3.429 6.474 -3.319 658 1HD ARG 60 1HD ARG 60 2.276 4.910 -4.664 659 2HD ARG 60 2HD ARG 60 1.134 6.188 -4.226 660 HE ARG 60 HE ARG 60 2.566 6.159 -6.873 661 1HH1 ARG 60 2HH2 ARG 60 -0.639 6.014 -5.210 662 2HH1 ARG 60 1HH2 ARG 60 -1.450 6.213 -6.705 663 1HH2 ARG 60 2HH1 ARG 60 1.405 6.607 -8.674 664 2HH2 ARG 60 1HH1 ARG 60 -0.321 6.917 -8.617 665 QB ARG 60 QB ARG 60 2.169 8.500 -4.449 666 QG ARG 60 QG ARG 60 3.729 6.600 -4.147 667 QD ARG 60 QD ARG 60 1.705 5.549 -4.445 668 QH1 ARG 60 QH2 ARG 60 -1.045 6.114 -5.958 669 QH2 ARG 60 QH1 ARG 60 0.542 6.762 -8.645 670 H GLU 61 H GLU 61 3.707 11.726 -3.969 671 HA GLU 61 HA GLU 61 5.191 11.702 -6.335 672 1HB GLU 61 1HB GLU 61 3.687 13.486 -5.275 673 2HB GLU 61 2HB GLU 61 5.101 14.049 -4.392 674 1HG GLU 61 1HG GLU 61 6.188 14.708 -6.424 675 2HG GLU 61 2HG GLU 61 5.079 13.745 -7.414 676 QB GLU 61 QB GLU 61 4.394 13.767 -4.834 677 QG GLU 61 QG GLU 61 5.633 14.226 -6.919 678 H ILE 62 H ILE 62 6.242 11.599 -3.056 679 HA ILE 62 HA ILE 62 9.054 12.227 -3.524 680 HB ILE 62 HB ILE 62 7.821 10.605 -1.260 681 1HG1 ILE 62 1HG1 ILE 62 8.270 13.626 -1.311 682 2HG1 ILE 62 2HG1 ILE 62 6.696 12.851 -1.479 683 1HG2 ILE 62 3HG2 ILE 62 10.325 10.496 -1.523 684 2HG2 ILE 62 1HG2 ILE 62 10.389 12.264 -1.351 685 3HG2 ILE 62 2HG2 ILE 62 9.832 11.244 -0.012 686 1HD1 ILE 62 3HD1 ILE 62 7.014 11.734 0.729 687 2HD1 ILE 62 1HD1 ILE 62 8.453 12.747 0.970 688 3HD1 ILE 62 2HD1 ILE 62 6.864 13.501 0.768 689 QG1 ILE 62 QG1 ILE 62 7.483 13.238 -1.395 690 QG2 ILE 62 QG2 ILE 62 10.182 11.335 -0.962 691 QD1 ILE 62 QD1 ILE 62 7.444 12.661 0.822 692 H PHE 63 H PHE 63 7.199 9.222 -2.903 693 HA PHE 63 HA PHE 63 9.212 7.333 -3.331 694 1HB PHE 63 1HB PHE 63 6.813 7.095 -2.395 695 2HB PHE 63 2HB PHE 63 6.242 7.075 -4.036 696 HD1 PHE 63 2HD PHE 63 7.493 5.216 -5.639 697 HD2 PHE 63 1HD PHE 63 7.076 5.042 -1.331 698 HE1 PHE 63 2HE PHE 63 7.768 2.786 -5.702 699 HE2 PHE 63 1HE PHE 63 7.319 2.589 -1.433 700 1HZ PHE 63 HZ PHE 63 7.594 1.447 -3.619 701 QB PHE 63 QB PHE 63 6.527 7.085 -3.216 702 QG PHE 63 QD PHE 63 7.284 5.129 -3.485 703 QZ PHE 63 QE PHE 63 7.543 2.687 -3.568 704 QZ PHE 63 QR PHE 63 7.450 3.416 -3.545 705 H ASP 64 H ASP 64 6.835 8.617 -5.671 706 HA ASP 64 HA ASP 64 7.542 6.951 -7.820 707 1HB ASP 64 1HB ASP 64 5.408 8.398 -7.369 708 2HB ASP 64 2HB ASP 64 6.316 9.723 -8.088 709 QB ASP 64 QB ASP 64 5.862 9.060 -7.729 710 H ARG 65 H ARG 65 8.979 9.938 -6.670 711 HA ARG 65 HA ARG 65 10.442 10.415 -9.211 712 1HB ARG 65 1HB ARG 65 9.725 12.426 -8.298 713 2HB ARG 65 2HB ARG 65 10.060 11.904 -6.656 714 1HG ARG 65 1HG ARG 65 12.463 12.139 -6.943 715 2HG ARG 65 2HG ARG 65 12.242 12.489 -8.669 716 1HD ARG 65 1HD ARG 65 10.996 14.545 -8.065 717 2HD ARG 65 2HD ARG 65 11.242 14.182 -6.346 718 HE ARG 65 HE ARG 65 13.763 14.092 -7.626 719 1HH1 ARG 65 2HH2 ARG 65 11.387 16.552 -6.671 720 2HH1 ARG 65 1HH2 ARG 65 12.556 17.836 -6.656 721 1HH2 ARG 65 2HH1 ARG 65 15.240 15.603 -7.424 722 2HH2 ARG 65 1HH1 ARG 65 14.920 17.116 -6.609 723 QB ARG 65 QB ARG 65 9.893 12.165 -7.477 724 QG ARG 65 QG ARG 65 12.352 12.314 -7.806 725 QD ARG 65 QD ARG 65 11.119 14.364 -7.206 726 QH1 ARG 65 QH2 ARG 65 11.972 17.194 -6.663 727 QH2 ARG 65 QH1 ARG 65 15.080 16.360 -7.016 728 H TYR 66 H TYR 66 11.152 9.882 -5.749 729 HA TYR 66 HA TYR 66 14.000 9.539 -6.328 730 1HB TYR 66 1HB TYR 66 12.384 9.497 -3.755 731 2HB TYR 66 2HB TYR 66 14.130 9.411 -3.824 732 HD1 TYR 66 1HD TYR 66 15.472 11.336 -4.811 733 HD2 TYR 66 2HD TYR 66 11.315 11.660 -3.722 734 HE1 TYR 66 1HE TYR 66 15.672 13.811 -4.693 735 HE2 TYR 66 2HE TYR 66 11.498 14.103 -3.662 736 HH TYR 66 HH TYR 66 12.964 16.000 -3.908 737 QB TYR 66 QB TYR 66 13.257 9.454 -3.790 738 QG TYR 66 QD TYR 66 13.394 11.498 -4.267 739 QZ TYR 66 QE TYR 66 13.585 13.957 -4.178 740 QR TYR 66 QR TYR 66 13.489 12.727 -4.222 741 H GLY 67 H GLY 67 11.375 7.323 -6.141 742 1HA GLY 67 1HA GLY 67 11.340 5.037 -6.095 743 2HA GLY 67 2HA GLY 67 13.096 4.992 -5.842 744 QA GLY 67 QA GLY 67 12.218 5.015 -5.969 745 H GLU 68 H GLU 68 12.265 3.343 -4.223 746 HA GLU 68 HA GLU 68 10.951 4.174 -1.796 747 1HB GLU 68 1HB GLU 68 12.601 1.735 -2.586 748 2HB GLU 68 2HB GLU 68 11.948 1.972 -0.944 749 1HG GLU 68 1HG GLU 68 9.700 2.153 -1.764 750 2HG GLU 68 2HG GLU 68 10.237 2.067 -3.452 751 QB GLU 68 QB GLU 68 12.275 1.853 -1.765 752 QG GLU 68 QG GLU 68 9.969 2.110 -2.608 753 H GLU 69 H GLU 69 14.244 4.385 -2.972 754 HA GLU 69 HA GLU 69 15.729 4.824 -0.612 755 1HB GLU 69 1HB GLU 69 15.796 5.898 -3.439 756 2HB GLU 69 2HB GLU 69 16.875 6.606 -2.245 757 1HG GLU 69 1HG GLU 69 16.713 3.616 -2.732 758 2HG GLU 69 2HG GLU 69 17.793 4.668 -3.650 759 QB GLU 69 QB GLU 69 16.335 6.252 -2.842 760 QG GLU 69 QG GLU 69 17.253 4.142 -3.191 761 H GLY 70 H GLY 70 13.592 7.103 -2.397 762 1HA GLY 70 1HA GLY 70 14.244 9.409 -0.813 763 2HA GLY 70 2HA GLY 70 12.875 9.218 -1.857 764 QA GLY 70 QA GLY 70 13.560 9.314 -1.335 765 H LEU 71 H LEU 71 12.261 6.658 -0.074 766 HA LEU 71 HA LEU 71 10.133 8.199 1.167 767 1HB LEU 71 1HB LEU 71 10.006 5.926 -0.158 768 2HB LEU 71 2HB LEU 71 10.393 5.188 1.382 769 HG LEU 71 HG LEU 71 8.012 5.223 1.038 770 1HD1 LEU 71 3HD1 LEU 71 8.766 5.654 3.378 771 2HD1 LEU 71 1HD1 LEU 71 8.575 7.399 3.104 772 3HD1 LEU 71 2HD1 LEU 71 7.171 6.328 2.995 773 1HD2 LEU 71 3HD2 LEU 71 8.031 7.207 -0.538 774 2HD2 LEU 71 1HD2 LEU 71 6.660 7.117 0.586 775 3HD2 LEU 71 2HD2 LEU 71 7.990 8.262 0.879 776 QB LEU 71 QB LEU 71 10.200 5.557 0.612 777 QD1 LEU 71 QD1 LEU 71 8.171 6.460 3.159 778 QD2 LEU 71 QD2 LEU 71 7.560 7.529 0.309 779 QQD LEU 71 QQD LEU 71 7.866 6.994 1.734 780 H LYS 72 H LYS 72 11.362 9.340 2.604 781 HA LYS 72 HA LYS 72 12.304 7.937 5.046 782 1HB LYS 72 1HB LYS 72 14.108 8.655 3.429 783 2HB LYS 72 2HB LYS 72 13.594 10.316 3.659 784 1HG LYS 72 1HG LYS 72 15.542 9.817 4.975 785 2HG LYS 72 2HG LYS 72 14.199 10.170 6.071 786 1HD LYS 72 1HD LYS 72 13.957 7.893 6.689 787 2HD LYS 72 2HD LYS 72 14.872 7.303 5.302 788 1HE LYS 72 1HE LYS 72 16.028 8.803 7.696 789 2HE LYS 72 2HE LYS 72 16.071 7.061 7.402 790 1HZ LYS 72 3HZ LYS 72 17.280 7.636 5.284 791 2HZ LYS 72 1HZ LYS 72 17.517 9.138 5.936 792 3HZ LYS 72 2HZ LYS 72 18.100 7.786 6.701 793 QB LYS 72 QB LYS 72 13.851 9.485 3.544 794 QG LYS 72 QG LYS 72 14.870 9.993 5.523 795 QD LYS 72 QD LYS 72 14.415 7.598 5.996 796 QE LYS 72 QE LYS 72 16.049 7.932 7.549 797 QZ LYS 72 QZ LYS 72 17.632 8.187 5.974 798 H GLY 73 H GLY 73 10.530 8.289 6.218 799 1HA GLY 73 1HA GLY 73 9.535 9.875 7.837 800 2HA GLY 73 2HA GLY 73 9.447 11.061 6.529 801 QA GLY 73 QA GLY 73 9.491 10.468 7.183 802 H SER 74 H SER 74 8.137 8.327 7.940 803 HA SER 74 HA SER 74 5.759 8.281 8.026 804 1HB SER 74 1HB SER 74 4.345 7.671 6.237 805 2HB SER 74 2HB SER 74 5.206 9.146 5.817 806 HG SER 74 HG SER 74 5.679 6.497 4.883 807 QB SER 74 QB SER 74 4.776 8.408 6.027 808 H GLY 75 H GLY 75 5.094 6.411 8.964 809 1HA GLY 75 1HA GLY 75 5.396 4.283 9.789 810 2HA GLY 75 2HA GLY 75 6.590 3.914 8.518 811 QA GLY 75 QA GLY 75 5.993 4.099 9.153 812 H CYS 76 H CYS 76 7.836 3.135 10.359 813 HA CYS 76 HA CYS 76 9.124 3.066 12.127 814 1HB CYS 76 1HB CYS 76 10.601 4.552 10.619 815 2HB CYS 76 2HB CYS 76 10.063 5.889 11.654 816 HG CYS 76 HG CYS 76 10.794 4.867 13.890 817 QB CYS 76 QB CYS 76 10.332 5.221 11.137 No H/Q in entry = 817 Start of MODEL 19 1 H MET 0 H MET 0 8.278 -3.591 11.683 2 HA MET 0 HA MET 0 9.677 -2.096 9.548 3 1HB MET 0 1HB MET 0 10.565 -4.371 11.334 4 2HB MET 0 2HB MET 0 11.425 -3.957 9.845 5 1HG MET 0 1HG MET 0 10.814 -1.874 11.963 6 2HG MET 0 2HG MET 0 12.261 -2.875 12.033 7 1HE MET 0 2HE MET 0 13.830 -3.162 9.912 8 2HE MET 0 3HE MET 0 14.611 -1.631 9.481 9 3HE MET 0 1HE MET 0 14.445 -2.089 11.189 10 QB MET 0 QB MET 0 10.995 -4.164 10.590 11 QG MET 0 QG MET 0 11.538 -2.374 11.998 12 QE MET 0 QE MET 0 14.295 -2.294 10.194 13 H GLY 1 H GLY 1 9.396 -2.757 7.500 14 1HA GLY 1 1HA GLY 1 8.774 -4.869 6.085 15 2HA GLY 1 2HA GLY 1 7.330 -4.841 7.105 16 QA GLY 1 QA GLY 1 8.052 -4.855 6.595 17 H LYS 2 H LYS 2 7.715 -1.785 7.121 18 HA LYS 2 HA LYS 2 6.133 -0.497 5.422 19 1HB LYS 2 1HB LYS 2 7.720 1.459 5.821 20 2HB LYS 2 2HB LYS 2 7.207 0.608 7.255 21 1HG LYS 2 1HG LYS 2 9.294 -0.450 7.583 22 2HG LYS 2 2HG LYS 2 9.762 -0.319 5.906 23 1HD LYS 2 1HD LYS 2 9.489 2.273 7.316 24 2HD LYS 2 2HD LYS 2 10.735 1.198 7.934 25 1HE LYS 2 1HE LYS 2 11.740 2.607 6.275 26 2HE LYS 2 2HE LYS 2 11.689 0.961 5.655 27 1HZ LYS 2 1HZ LYS 2 9.762 3.088 4.959 28 2HZ LYS 2 2HZ LYS 2 11.057 2.617 4.039 29 3HZ LYS 2 3HZ LYS 2 9.799 1.575 4.300 30 QB LYS 2 QB LYS 2 7.463 1.033 6.538 31 QG LYS 2 QG LYS 2 9.528 -0.385 6.745 32 QD LYS 2 QD LYS 2 10.112 1.736 7.625 33 QE LYS 2 QE LYS 2 11.714 1.784 5.965 34 QZ LYS 2 QZ LYS 2 10.206 2.427 4.432 35 H ASP 3 H ASP 3 6.819 -2.164 3.410 36 HA ASP 3 HA ASP 3 8.760 -0.771 1.632 37 1HB ASP 3 1HB ASP 3 8.599 -3.242 1.574 38 2HB ASP 3 2HB ASP 3 6.886 -3.119 1.165 39 QB ASP 3 QB ASP 3 7.742 -3.180 1.370 40 H TYR 4 H TYR 4 5.364 -0.897 2.318 41 HA TYR 4 HA TYR 4 3.557 0.161 1.707 42 1HB TYR 4 1HB TYR 4 5.260 2.081 0.136 43 2HB TYR 4 2HB TYR 4 3.561 2.278 0.536 44 HD1 TYR 4 1HD TYR 4 3.319 1.557 3.394 45 HD2 TYR 4 2HD TYR 4 6.542 3.622 1.384 46 HE1 TYR 4 1HE TYR 4 3.821 2.731 5.449 47 HE2 TYR 4 2HE TYR 4 6.998 4.873 3.463 48 HH TYR 4 HH TYR 4 5.069 4.395 6.480 49 QB TYR 4 QB TYR 4 4.410 2.179 0.336 50 QG TYR 4 QD TYR 4 4.931 2.590 2.389 51 QZ TYR 4 QE TYR 4 5.410 3.802 4.456 52 QR TYR 4 QR TYR 4 5.170 3.196 3.423 53 H TYR 5 H TYR 5 5.604 -0.073 -1.192 54 HA TYR 5 HA TYR 5 3.618 -0.506 -3.190 55 1HB TYR 5 1HB TYR 5 6.450 -0.458 -2.993 56 2HB TYR 5 2HB TYR 5 6.107 -2.114 -3.437 57 HD1 TYR 5 2HD TYR 5 3.896 -1.933 -5.210 58 HD2 TYR 5 1HD TYR 5 7.546 0.277 -4.990 59 HE1 TYR 5 2HE TYR 5 3.941 -1.775 -7.677 60 HE2 TYR 5 1HE TYR 5 7.481 0.682 -7.424 61 HH TYR 5 HH TYR 5 6.010 0.481 -9.400 62 QB TYR 5 QB TYR 5 6.279 -1.286 -3.215 63 QG TYR 5 QD TYR 5 5.721 -0.828 -5.100 64 QZ TYR 5 QE TYR 5 5.711 -0.547 -7.550 65 QR TYR 5 QR TYR 5 5.716 -0.687 -6.325 66 H GLN 6 H GLN 6 5.634 -2.950 -1.522 67 HA GLN 6 HA GLN 6 3.977 -5.191 -2.190 68 1HB GLN 6 1HB GLN 6 6.491 -4.993 -1.938 69 2HB GLN 6 2HB GLN 6 6.268 -4.959 -0.195 70 1HG GLN 6 1HG GLN 6 5.449 -7.231 -0.180 71 2HG GLN 6 2HG GLN 6 5.284 -7.236 -1.946 72 1HE2 GLN 6 2HE2 GLN 6 9.178 -7.247 -0.482 73 2HE2 GLN 6 1HE2 GLN 6 7.918 -6.519 0.486 74 QB GLN 6 QB GLN 6 6.380 -4.976 -1.067 75 QG GLN 6 QG GLN 6 5.366 -7.234 -1.063 76 QE2 GLN 6 QE2 GLN 6 8.548 -6.883 0.002 77 H THR 7 H THR 7 4.091 -3.002 0.531 78 HA THR 7 HA THR 7 2.693 -4.665 2.392 79 HB THR 7 HB THR 7 2.631 -1.667 1.982 80 HG1 THR 7 1HG THR 7 4.014 -2.452 4.140 81 1HG2 THR 7 2HG2 THR 7 1.693 -3.332 4.320 82 2HG2 THR 7 3HG2 THR 7 1.996 -1.576 4.379 83 3HG2 THR 7 1HG2 THR 7 0.772 -2.210 3.306 84 QG2 THR 7 QG2 THR 7 1.487 -2.373 4.001 85 H LEU 8 H LEU 8 1.637 -2.873 -0.407 86 HA LEU 8 HA LEU 8 -1.194 -3.604 0.121 87 1HB LEU 8 1HB LEU 8 -0.472 -1.288 -0.700 88 2HB LEU 8 2HB LEU 8 -0.186 -2.058 -2.249 89 HG LEU 8 HG LEU 8 -2.677 -2.885 -2.093 90 1HD1 LEU 8 2HD1 LEU 8 -2.567 -0.877 0.187 91 2HD1 LEU 8 3HD1 LEU 8 -4.069 -1.305 -0.625 92 3HD1 LEU 8 1HD1 LEU 8 -3.158 -2.552 0.217 93 1HD2 LEU 8 1HD2 LEU 8 -1.876 -0.933 -3.514 94 2HD2 LEU 8 2HD2 LEU 8 -3.571 -1.018 -3.082 95 3HD2 LEU 8 3HD2 LEU 8 -2.489 0.118 -2.223 96 QB LEU 8 QB LEU 8 -0.329 -1.673 -1.475 97 QD1 LEU 8 QD1 LEU 8 -3.265 -1.578 -0.074 98 QD2 LEU 8 QD2 LEU 8 -2.645 -0.611 -2.940 99 QQD LEU 8 QQD LEU 8 -2.955 -1.094 -1.507 100 H GLY 9 H GLY 9 1.488 -5.057 -1.253 101 1HA GLY 9 1HA GLY 9 1.567 -7.132 -2.241 102 2HA GLY 9 2HA GLY 9 -0.170 -7.091 -2.531 103 QA GLY 9 QA GLY 9 0.698 -7.111 -2.386 104 H LEU 10 H LEU 10 2.298 -4.670 -3.559 105 HA LEU 10 HA LEU 10 2.071 -5.501 -6.402 106 1HB LEU 10 1HB LEU 10 2.017 -2.708 -5.249 107 2HB LEU 10 2HB LEU 10 2.232 -3.079 -6.950 108 HG LEU 10 HG LEU 10 -0.185 -4.390 -6.068 109 1HD1 LEU 10 2HD1 LEU 10 0.183 -1.502 -5.179 110 2HD1 LEU 10 3HD1 LEU 10 -1.391 -2.208 -5.482 111 3HD1 LEU 10 1HD1 LEU 10 -0.352 -2.917 -4.229 112 1HD2 LEU 10 3HD2 LEU 10 0.388 -3.501 -8.373 113 2HD2 LEU 10 1HD2 LEU 10 -1.223 -3.131 -7.751 114 3HD2 LEU 10 2HD2 LEU 10 0.030 -1.873 -7.736 115 QB LEU 10 QB LEU 10 2.124 -2.893 -6.100 116 QD1 LEU 10 QD1 LEU 10 -0.520 -2.209 -4.964 117 QD2 LEU 10 QD2 LEU 10 -0.268 -2.835 -7.953 118 QQD LEU 10 QQD LEU 10 -0.394 -2.522 -6.458 119 H ALA 11 H ALA 11 4.048 -4.660 -7.587 120 HA ALA 11 HA ALA 11 6.161 -3.320 -6.299 121 1HB ALA 11 1HB ALA 11 6.601 -5.468 -5.186 122 2HB ALA 11 2HB ALA 11 6.679 -6.260 -6.791 123 3HB ALA 11 3HB ALA 11 7.878 -5.011 -6.315 124 QB ALA 11 QB ALA 11 7.053 -5.580 -6.097 125 H ARG 12 H ARG 12 7.573 -2.607 -7.839 126 HA ARG 12 HA ARG 12 8.058 -1.853 -9.954 127 1HB ARG 12 1HB ARG 12 9.673 -3.248 -10.978 128 2HB ARG 12 2HB ARG 12 9.892 -3.239 -9.248 129 1HG ARG 12 1HG ARG 12 8.520 -5.565 -10.686 130 2HG ARG 12 2HG ARG 12 10.259 -5.373 -10.593 131 1HD ARG 12 1HD ARG 12 10.012 -5.302 -8.039 132 2HD ARG 12 2HD ARG 12 8.354 -5.848 -8.330 133 HE ARG 12 HE ARG 12 9.038 -7.917 -8.959 134 1HH1 ARG 12 2HH2 ARG 12 11.924 -5.841 -8.705 135 2HH1 ARG 12 1HH2 ARG 12 13.046 -7.136 -8.587 136 1HH2 ARG 12 2HH1 ARG 12 10.570 -9.632 -9.249 137 2HH2 ARG 12 1HH1 ARG 12 12.260 -9.352 -9.124 138 QB ARG 12 QB ARG 12 9.783 -3.243 -10.113 139 QG ARG 12 QG ARG 12 9.389 -5.469 -10.639 140 QD ARG 12 QD ARG 12 9.183 -5.575 -8.185 141 QH1 ARG 12 QH2 ARG 12 12.485 -6.489 -8.646 142 QH2 ARG 12 QH1 ARG 12 11.415 -9.492 -9.186 143 H GLY 13 H GLY 13 5.559 -1.987 -10.227 144 1HA GLY 13 1HA GLY 13 4.828 -2.648 -12.888 145 2HA GLY 13 2HA GLY 13 4.557 -4.084 -11.883 146 QA GLY 13 QA GLY 13 4.692 -3.366 -12.385 147 H ALA 14 H ALA 14 3.923 -1.749 -9.656 148 HA ALA 14 HA ALA 14 1.108 -1.681 -9.937 149 1HB ALA 14 2HB ALA 14 2.977 0.421 -8.748 150 2HB ALA 14 3HB ALA 14 1.222 0.509 -8.650 151 3HB ALA 14 1HB ALA 14 2.047 -0.831 -7.872 152 QB ALA 14 QB ALA 14 2.082 0.033 -8.423 153 H SER 15 H SER 15 -0.339 -0.155 -10.677 154 HA SER 15 HA SER 15 0.466 2.283 -11.964 155 1HB SER 15 1HB SER 15 -1.110 2.029 -13.833 156 2HB SER 15 2HB SER 15 0.065 0.713 -13.934 157 HG SER 15 HG SER 15 -2.218 0.099 -14.150 158 QB SER 15 QB SER 15 -0.522 1.371 -13.883 159 H ASP 16 H ASP 16 -1.770 3.575 -12.176 160 HA ASP 16 HA ASP 16 -2.559 3.739 -9.468 161 1HB ASP 16 1HB ASP 16 -2.431 5.596 -11.165 162 2HB ASP 16 2HB ASP 16 -3.893 4.958 -11.928 163 QB ASP 16 QB ASP 16 -3.162 5.277 -11.547 164 H GLU 17 H GLU 17 -3.832 2.039 -12.186 165 HA GLU 17 HA GLU 17 -6.495 1.310 -11.191 166 1HB GLU 17 1HB GLU 17 -6.098 1.534 -13.553 167 2HB GLU 17 2HB GLU 17 -4.668 0.508 -13.486 168 1HG GLU 17 1HG GLU 17 -5.996 -1.471 -13.098 169 2HG GLU 17 2HG GLU 17 -7.459 -0.514 -12.860 170 QB GLU 17 QB GLU 17 -5.383 1.021 -13.520 171 QG GLU 17 QG GLU 17 -6.727 -0.992 -12.979 172 H GLU 18 H GLU 18 -3.170 -0.025 -11.023 173 HA GLU 18 HA GLU 18 -4.196 -2.677 -10.323 174 1HB GLU 18 1HB GLU 18 -1.820 -1.659 -11.467 175 2HB GLU 18 2HB GLU 18 -1.332 -2.041 -9.847 176 1HG GLU 18 1HG GLU 18 -2.423 -3.876 -11.997 177 2HG GLU 18 2HG GLU 18 -0.863 -3.941 -11.202 178 QB GLU 18 QB GLU 18 -1.576 -1.850 -10.657 179 QG GLU 18 QG GLU 18 -1.643 -3.908 -11.600 180 H ILE 19 H ILE 19 -2.839 0.300 -8.949 181 HA ILE 19 HA ILE 19 -2.605 -0.566 -6.301 182 HB ILE 19 HB ILE 19 -2.846 2.129 -7.610 183 1HG1 ILE 19 1HG1 ILE 19 -0.761 0.725 -5.863 184 2HG1 ILE 19 2HG1 ILE 19 -0.763 0.712 -7.613 185 1HG2 ILE 19 1HG2 ILE 19 -4.109 2.408 -5.479 186 2HG2 ILE 19 2HG2 ILE 19 -2.729 1.724 -4.583 187 3HG2 ILE 19 3HG2 ILE 19 -2.591 3.264 -5.466 188 1HD1 ILE 19 1HD1 ILE 19 -0.392 3.168 -7.645 189 2HD1 ILE 19 2HD1 ILE 19 -0.360 3.172 -5.881 190 3HD1 ILE 19 3HD1 ILE 19 0.879 2.287 -6.760 191 QG1 ILE 19 QG1 ILE 19 -0.762 0.718 -6.738 192 QG2 ILE 19 QG2 ILE 19 -3.143 2.465 -5.176 193 QD1 ILE 19 QD1 ILE 19 0.042 2.876 -6.762 194 H LYS 20 H LYS 20 -5.371 1.248 -7.803 195 HA LYS 20 HA LYS 20 -7.139 0.866 -5.648 196 1HB LYS 20 1HB LYS 20 -7.581 1.283 -8.609 197 2HB LYS 20 2HB LYS 20 -8.948 0.925 -7.540 198 1HG LYS 20 1HG LYS 20 -8.322 2.781 -6.046 199 2HG LYS 20 2HG LYS 20 -6.989 3.223 -7.113 200 1HD LYS 20 1HD LYS 20 -9.672 2.981 -8.433 201 2HD LYS 20 2HD LYS 20 -9.555 4.225 -7.201 202 1HE LYS 20 1HE LYS 20 -9.079 5.146 -9.416 203 2HE LYS 20 2HE LYS 20 -7.705 5.302 -8.325 204 1HZ LYS 20 2HZ LYS 20 -6.712 3.376 -9.410 205 2HZ LYS 20 3HZ LYS 20 -7.960 3.353 -10.523 206 3HZ LYS 20 1HZ LYS 20 -6.916 4.648 -10.360 207 QB LYS 20 QB LYS 20 -8.265 1.104 -8.074 208 QG LYS 20 QG LYS 20 -7.655 3.002 -6.580 209 QD LYS 20 QD LYS 20 -9.614 3.603 -7.817 210 QE LYS 20 QE LYS 20 -8.392 5.224 -8.871 211 QZ LYS 20 QZ LYS 20 -7.196 3.792 -10.098 212 H ARG 21 H ARG 21 -6.361 -1.467 -8.238 213 HA ARG 21 HA ARG 21 -8.479 -3.263 -7.580 214 1HB ARG 21 1HB ARG 21 -7.077 -3.138 -9.726 215 2HB ARG 21 2HB ARG 21 -5.754 -3.840 -8.855 216 1HG ARG 21 1HG ARG 21 -6.653 -5.660 -9.978 217 2HG ARG 21 2HG ARG 21 -7.354 -5.861 -8.376 218 1HD ARG 21 1HD ARG 21 -8.725 -4.554 -10.777 219 2HD ARG 21 2HD ARG 21 -8.967 -6.223 -10.294 220 HE ARG 21 HE ARG 21 -10.039 -3.792 -9.061 221 1HH1 ARG 21 2HH2 ARG 21 -9.721 -7.329 -8.707 222 2HH1 ARG 21 1HH2 ARG 21 -11.012 -7.438 -7.554 223 1HH2 ARG 21 2HH1 ARG 21 -11.435 -3.886 -7.354 224 2HH2 ARG 21 1HH1 ARG 21 -11.884 -5.394 -6.619 225 QB ARG 21 QB ARG 21 -6.416 -3.489 -9.290 226 QG ARG 21 QG ARG 21 -7.004 -5.761 -9.177 227 QD ARG 21 QD ARG 21 -8.846 -5.388 -10.536 228 QH1 ARG 21 QH2 ARG 21 -10.366 -7.384 -8.130 229 QH2 ARG 21 QH1 ARG 21 -11.660 -4.640 -6.987 230 H ALA 22 H ALA 22 -5.047 -3.244 -6.785 231 HA ALA 22 HA ALA 22 -4.975 -5.398 -4.976 232 1HB ALA 22 1HB ALA 22 -2.997 -4.365 -6.047 233 2HB ALA 22 2HB ALA 22 -3.277 -2.922 -5.033 234 3HB ALA 22 3HB ALA 22 -2.831 -4.468 -4.280 235 QB ALA 22 QB ALA 22 -3.035 -3.918 -5.120 236 H TYR 23 H TYR 23 -5.817 -1.917 -4.388 237 HA TYR 23 HA TYR 23 -5.681 -1.693 -1.737 238 1HB TYR 23 1HB TYR 23 -6.803 -0.391 -3.966 239 2HB TYR 23 2HB TYR 23 -8.180 -0.698 -2.988 240 HD1 TYR 23 2HD TYR 23 -4.762 0.729 -2.864 241 HD2 TYR 23 1HD TYR 23 -8.864 1.001 -1.542 242 HE1 TYR 23 2HE TYR 23 -4.239 2.870 -1.758 243 HE2 TYR 23 1HE TYR 23 -8.373 3.192 -0.517 244 HH TYR 23 HH TYR 23 -5.082 4.497 -0.305 245 QB TYR 23 QB TYR 23 -7.491 -0.545 -3.477 246 QG TYR 23 QD TYR 23 -6.813 0.865 -2.203 247 QZ TYR 23 QE TYR 23 -6.306 3.031 -1.138 248 QR TYR 23 QR TYR 23 -6.560 1.948 -1.670 249 H ARG 24 H ARG 24 -8.769 -2.698 -3.315 250 HA ARG 24 HA ARG 24 -9.789 -3.736 -0.821 251 1HB ARG 24 1HB ARG 24 -10.721 -3.800 -3.678 252 2HB ARG 24 2HB ARG 24 -11.263 -5.106 -2.624 253 1HG ARG 24 1HG ARG 24 -11.998 -3.328 -0.929 254 2HG ARG 24 2HG ARG 24 -11.764 -2.136 -2.237 255 1HD ARG 24 1HD ARG 24 -13.259 -3.477 -3.682 256 2HD ARG 24 2HD ARG 24 -13.482 -4.670 -2.404 257 HE ARG 24 HE ARG 24 -14.700 -2.040 -2.698 258 1HH1 ARG 24 2HH2 ARG 24 -13.993 -4.314 -0.018 259 2HH1 ARG 24 1HH2 ARG 24 -15.630 -4.491 0.445 260 1HH2 ARG 24 2HH1 ARG 24 -16.856 -2.143 -1.957 261 2HH2 ARG 24 1HH1 ARG 24 -17.149 -2.808 -0.366 262 QB ARG 24 QB ARG 24 -10.992 -4.453 -3.151 263 QG ARG 24 QG ARG 24 -11.881 -2.732 -1.583 264 QD ARG 24 QD ARG 24 -13.370 -4.074 -3.043 265 QH1 ARG 24 QH2 ARG 24 -14.811 -4.402 0.213 266 QH2 ARG 24 QH1 ARG 24 -17.003 -2.476 -1.162 267 H ARG 25 H ARG 25 -7.785 -5.195 -3.363 268 HA ARG 25 HA ARG 25 -8.223 -7.910 -2.672 269 1HB ARG 25 1HB ARG 25 -6.808 -7.008 -4.629 270 2HB ARG 25 2HB ARG 25 -5.551 -6.710 -3.433 271 1HG ARG 25 1HG ARG 25 -4.805 -8.628 -4.191 272 2HG ARG 25 2HG ARG 25 -5.761 -9.254 -2.857 273 1HD ARG 25 1HD ARG 25 -7.341 -10.216 -4.274 274 2HD ARG 25 2HD ARG 25 -7.119 -9.011 -5.546 275 HE ARG 25 HE ARG 25 -5.573 -11.456 -5.083 276 1HH1 ARG 25 2HH2 ARG 25 -5.604 -8.334 -6.760 277 2HH1 ARG 25 1HH2 ARG 25 -4.233 -8.639 -7.748 278 1HH2 ARG 25 2HH1 ARG 25 -3.879 -12.019 -6.538 279 2HH2 ARG 25 1HH1 ARG 25 -3.224 -10.824 -7.600 280 QB ARG 25 QB ARG 25 -6.179 -6.859 -4.031 281 QG ARG 25 QG ARG 25 -5.283 -8.941 -3.524 282 QD ARG 25 QD ARG 25 -7.230 -9.614 -4.910 283 QH1 ARG 25 QH2 ARG 25 -4.919 -8.487 -7.254 284 QH2 ARG 25 QH1 ARG 25 -3.552 -11.421 -7.069 285 H GLN 26 H GLN 26 -5.697 -5.606 -1.363 286 HA GLN 26 HA GLN 26 -4.805 -7.422 0.541 287 1HB GLN 26 1HB GLN 26 -3.745 -5.311 -0.706 288 2HB GLN 26 2HB GLN 26 -4.479 -4.406 0.606 289 1HG GLN 26 1HG GLN 26 -2.340 -4.889 1.346 290 2HG GLN 26 2HG GLN 26 -3.309 -6.145 2.132 291 1HE2 GLN 26 2HE2 GLN 26 -0.132 -7.573 0.514 292 2HE2 GLN 26 1HE2 GLN 26 -0.359 -6.073 1.420 293 QB GLN 26 QB GLN 26 -4.112 -4.858 -0.050 294 QG GLN 26 QG GLN 26 -2.825 -5.517 1.739 295 QE2 GLN 26 QE2 GLN 26 -0.245 -6.823 0.967 296 H ALA 27 H ALA 27 -7.104 -4.612 0.724 297 HA ALA 27 HA ALA 27 -7.448 -4.654 3.529 298 1HB ALA 27 2HB ALA 27 -8.377 -2.899 2.049 299 2HB ALA 27 3HB ALA 27 -9.556 -4.065 1.403 300 3HB ALA 27 1HB ALA 27 -9.616 -3.592 3.111 301 QB ALA 27 QB ALA 27 -9.183 -3.519 2.188 302 H LEU 28 H LEU 28 -9.218 -6.501 0.977 303 HA LEU 28 HA LEU 28 -10.741 -8.072 2.759 304 1HB LEU 28 1HB LEU 28 -11.233 -7.844 0.346 305 2HB LEU 28 2HB LEU 28 -9.769 -8.758 -0.028 306 HG LEU 28 HG LEU 28 -10.704 -10.733 1.197 307 1HD1 LEU 28 1HD1 LEU 28 -13.207 -8.994 1.405 308 2HD1 LEU 28 2HD1 LEU 28 -13.147 -10.737 1.734 309 3HD1 LEU 28 3HD1 LEU 28 -12.254 -9.627 2.766 310 1HD2 LEU 28 1HD2 LEU 28 -12.413 -9.606 -1.042 311 2HD2 LEU 28 2HD2 LEU 28 -10.974 -10.640 -1.182 312 3HD2 LEU 28 3HD2 LEU 28 -12.443 -11.288 -0.462 313 QB LEU 28 QB LEU 28 -10.501 -8.301 0.159 314 QD1 LEU 28 QD1 LEU 28 -12.869 -9.786 1.968 315 QD2 LEU 28 QD2 LEU 28 -11.943 -10.511 -0.895 316 QQD LEU 28 QQD LEU 28 -12.406 -10.149 0.536 317 H ARG 29 H ARG 29 -7.456 -8.608 1.403 318 HA ARG 29 HA ARG 29 -7.142 -11.235 2.101 319 1HB ARG 29 1HB ARG 29 -5.670 -9.889 0.669 320 2HB ARG 29 2HB ARG 29 -4.958 -9.136 2.091 321 1HG ARG 29 1HG ARG 29 -4.113 -11.344 2.836 322 2HG ARG 29 2HG ARG 29 -4.998 -12.104 1.489 323 1HD ARG 29 1HD ARG 29 -3.687 -10.640 -0.088 324 2HD ARG 29 2HD ARG 29 -2.684 -10.129 1.268 325 HE ARG 29 HE ARG 29 -2.191 -12.605 1.585 326 1HH1 ARG 29 2HH2 ARG 29 -2.787 -11.161 -1.635 327 2HH1 ARG 29 1HH2 ARG 29 -2.011 -12.400 -2.521 328 1HH2 ARG 29 2HH1 ARG 29 -0.894 -14.101 0.432 329 2HH2 ARG 29 1HH1 ARG 29 -1.001 -14.210 -1.305 330 QB ARG 29 QB ARG 29 -5.314 -9.513 1.380 331 QG ARG 29 QG ARG 29 -4.555 -11.724 2.162 332 QD ARG 29 QD ARG 29 -3.186 -10.385 0.590 333 QH1 ARG 29 QH2 ARG 29 -2.399 -11.780 -2.078 334 QH2 ARG 29 QH1 ARG 29 -0.947 -14.155 -0.437 335 H TYR 30 H TYR 30 -6.805 -8.443 4.281 336 HA TYR 30 HA TYR 30 -6.162 -10.292 6.521 337 1HB TYR 30 1HB TYR 30 -5.398 -7.391 6.140 338 2HB TYR 30 2HB TYR 30 -5.002 -8.360 7.537 339 HD1 TYR 30 1HD TYR 30 -4.437 -8.029 3.900 340 HD2 TYR 30 2HD TYR 30 -2.976 -9.737 7.563 341 HE1 TYR 30 1HE TYR 30 -2.313 -8.531 2.776 342 HE2 TYR 30 2HE TYR 30 -0.826 -10.233 6.461 343 HH TYR 30 HH TYR 30 -0.179 -9.380 3.019 344 QB TYR 30 QB TYR 30 -5.200 -7.875 6.838 345 QG TYR 30 QD TYR 30 -3.706 -8.883 5.731 346 QZ TYR 30 QE TYR 30 -1.569 -9.382 4.618 347 QR TYR 30 QR TYR 30 -2.638 -9.133 5.175 348 H HIS 31 H HIS 31 -8.739 -8.578 5.336 349 HA HIS 31 HA HIS 31 -9.902 -7.033 7.258 350 1HB HIS 31 1HB HIS 31 -10.668 -8.359 4.881 351 2HB HIS 31 2HB HIS 31 -11.768 -9.009 6.045 352 HD1 HIS 31 1HD HIS 31 -12.485 -5.976 7.533 353 HD2 HIS 31 2HD HIS 31 -12.437 -7.182 3.472 354 HE1 HIS 31 1HE HIS 31 -13.952 -4.430 6.325 355 QB HIS 31 QB HIS 31 -11.218 -8.684 5.463 356 HA PRO 32 HA PRO 32 -10.241 -9.918 10.713 357 1HB PRO 32 1HB PRO 32 -12.170 -8.689 12.245 358 2HB PRO 32 2HB PRO 32 -10.465 -8.167 12.157 359 1HG PRO 32 1HG PRO 32 -12.830 -7.054 10.653 360 2HG PRO 32 2HG PRO 32 -11.496 -6.173 11.480 361 1HD PRO 32 1HD PRO 32 -11.521 -6.586 8.798 362 2HD PRO 32 2HD PRO 32 -10.000 -6.602 9.725 363 QB PRO 32 QB PRO 32 -11.318 -8.428 12.201 364 QG PRO 32 QG PRO 32 -12.163 -6.614 11.067 365 QD PRO 32 QD PRO 32 -10.760 -6.594 9.262 366 H ASP 33 H ASP 33 -13.003 -9.061 8.694 367 HA ASP 33 HA ASP 33 -14.613 -11.261 9.722 368 1HB ASP 33 1HB ASP 33 -15.766 -9.333 8.832 369 2HB ASP 33 2HB ASP 33 -14.898 -9.466 7.291 370 QB ASP 33 QB ASP 33 -15.332 -9.400 8.061 371 H LYS 34 H LYS 34 -12.289 -10.771 7.075 372 HA LYS 34 HA LYS 34 -13.178 -13.242 5.704 373 1HB LYS 34 1HB LYS 34 -12.681 -11.500 4.234 374 2HB LYS 34 2HB LYS 34 -11.172 -11.084 5.041 375 1HG LYS 34 1HG LYS 34 -11.574 -13.730 3.598 376 2HG LYS 34 2HG LYS 34 -11.061 -12.269 2.788 377 1HD LYS 34 1HD LYS 34 -9.187 -12.283 4.731 378 2HD LYS 34 2HD LYS 34 -9.477 -14.027 4.638 379 1HE LYS 34 1HE LYS 34 -8.979 -12.317 2.181 380 2HE LYS 34 2HE LYS 34 -7.646 -12.949 3.165 381 1HZ LYS 34 3HZ LYS 34 -9.668 -14.709 1.960 382 2HZ LYS 34 1HZ LYS 34 -8.237 -14.303 1.249 383 3HZ LYS 34 2HZ LYS 34 -8.226 -15.117 2.673 384 QB LYS 34 QB LYS 34 -11.927 -11.292 4.638 385 QG LYS 34 QG LYS 34 -11.317 -12.999 3.193 386 QD LYS 34 QD LYS 34 -9.332 -13.155 4.685 387 QE LYS 34 QE LYS 34 -8.312 -12.633 2.673 388 QZ LYS 34 QZ LYS 34 -8.710 -14.710 1.961 389 H ASN 35 H ASN 35 -10.230 -12.034 7.445 390 HA ASN 35 HA ASN 35 -8.949 -14.629 6.889 391 1HB ASN 35 1HB ASN 35 -7.965 -11.973 7.575 392 2HB ASN 35 2HB ASN 35 -7.380 -13.132 8.771 393 1HD2 ASN 35 2HD2 ASN 35 -4.807 -13.064 6.190 394 2HD2 ASN 35 1HD2 ASN 35 -5.421 -11.946 7.381 395 QB ASN 35 QB ASN 35 -7.672 -12.552 8.173 396 QD2 ASN 35 QD2 ASN 35 -5.114 -12.505 6.785 397 H LYS 36 H LYS 36 -9.279 -12.797 9.880 398 HA LYS 36 HA LYS 36 -10.489 -12.990 11.706 399 1HB LYS 36 1HB LYS 36 -10.271 -15.827 11.095 400 2HB LYS 36 2HB LYS 36 -11.020 -15.319 12.619 401 1HG LYS 36 1HG LYS 36 -12.805 -14.148 11.395 402 2HG LYS 36 2HG LYS 36 -12.126 -14.612 9.840 403 1HD LYS 36 1HD LYS 36 -13.234 -16.504 11.952 404 2HD LYS 36 2HD LYS 36 -14.048 -16.024 10.470 405 1HE LYS 36 1HE LYS 36 -11.469 -17.653 10.645 406 2HE LYS 36 2HE LYS 36 -13.083 -18.281 10.302 407 1HZ LYS 36 1HZ LYS 36 -13.068 -16.849 8.281 408 2HZ LYS 36 2HZ LYS 36 -11.462 -16.523 8.593 409 3HZ LYS 36 3HZ LYS 36 -11.949 -18.059 8.304 410 QB LYS 36 QB LYS 36 -10.646 -15.573 11.857 411 QG LYS 36 QG LYS 36 -12.466 -14.380 10.618 412 QD LYS 36 QD LYS 36 -13.641 -16.264 11.211 413 QE LYS 36 QE LYS 36 -12.276 -17.967 10.473 414 QZ LYS 36 QZ LYS 36 -12.160 -17.143 8.393 415 H GLU 37 H GLU 37 -7.516 -13.204 10.802 416 HA GLU 37 HA GLU 37 -6.070 -14.568 12.855 417 1HB GLU 37 1HB GLU 37 -5.244 -14.130 10.545 418 2HB GLU 37 2HB GLU 37 -5.353 -12.403 10.853 419 1HG GLU 37 1HG GLU 37 -3.770 -12.968 12.915 420 2HG GLU 37 2HG GLU 37 -3.501 -14.455 12.018 421 QB GLU 37 QB GLU 37 -5.299 -13.266 10.699 422 QG GLU 37 QG GLU 37 -3.636 -13.712 12.466 423 HA PRO 38 HA PRO 38 -7.004 -11.000 15.464 424 1HB PRO 38 1HB PRO 38 -5.897 -11.751 17.879 425 2HB PRO 38 2HB PRO 38 -7.412 -12.455 17.237 426 1HG PRO 38 1HG PRO 38 -4.612 -13.559 16.996 427 2HG PRO 38 2HG PRO 38 -6.097 -14.412 17.532 428 1HD PRO 38 1HD PRO 38 -5.183 -14.577 14.963 429 2HD PRO 38 2HD PRO 38 -6.934 -14.542 15.333 430 QB PRO 38 QB PRO 38 -6.655 -12.103 17.558 431 QG PRO 38 QG PRO 38 -5.354 -13.986 17.264 432 QD PRO 38 QD PRO 38 -6.059 -14.559 15.148 433 H GLY 39 H GLY 39 -4.305 -12.024 14.632 434 1HA GLY 39 1HA GLY 39 -2.438 -9.845 15.512 435 2HA GLY 39 2HA GLY 39 -1.939 -11.238 14.536 436 QA GLY 39 QA GLY 39 -2.189 -10.541 15.024 437 H ALA 40 H ALA 40 -4.418 -10.647 12.701 438 HA ALA 40 HA ALA 40 -3.016 -8.971 10.814 439 1HB ALA 40 3HB ALA 40 -5.855 -10.032 10.900 440 2HB ALA 40 1HB ALA 40 -5.207 -9.060 9.582 441 3HB ALA 40 2HB ALA 40 -4.479 -10.629 9.931 442 QB ALA 40 QB ALA 40 -5.180 -9.907 10.138 443 H GLU 41 H GLU 41 -4.913 -8.201 13.599 444 HA GLU 41 HA GLU 41 -6.043 -5.715 12.977 445 1HB GLU 41 1HB GLU 41 -6.279 -6.854 15.141 446 2HB GLU 41 2HB GLU 41 -4.552 -6.712 15.440 447 1HG GLU 41 1HG GLU 41 -5.799 -5.091 16.774 448 2HG GLU 41 2HG GLU 41 -4.718 -4.276 15.650 449 QB GLU 41 QB GLU 41 -5.415 -6.783 15.291 450 QG GLU 41 QG GLU 41 -5.258 -4.683 16.212 451 H GLU 42 H GLU 42 -2.661 -6.576 13.728 452 HA GLU 42 HA GLU 42 -1.713 -3.834 13.518 453 1HB GLU 42 1HB GLU 42 -0.692 -5.481 15.015 454 2HB GLU 42 2HB GLU 42 -0.232 -6.494 13.639 455 1HG GLU 42 1HG GLU 42 1.392 -4.928 12.885 456 2HG GLU 42 2HG GLU 42 0.690 -3.612 13.833 457 QB GLU 42 QB GLU 42 -0.462 -5.987 14.327 458 QG GLU 42 QG GLU 42 1.041 -4.270 13.359 459 H LYS 43 H LYS 43 -1.538 -6.731 11.422 460 HA LYS 43 HA LYS 43 -0.014 -5.472 9.471 461 1HB LYS 43 1HB LYS 43 -1.355 -8.028 9.861 462 2HB LYS 43 2HB LYS 43 -1.621 -7.514 8.237 463 1HG LYS 43 1HG LYS 43 1.009 -7.933 9.688 464 2HG LYS 43 2HG LYS 43 0.376 -8.926 8.399 465 1HD LYS 43 1HD LYS 43 1.345 -6.055 8.008 466 2HD LYS 43 2HD LYS 43 2.324 -7.492 7.841 467 1HE LYS 43 1HE LYS 43 0.671 -8.314 6.080 468 2HE LYS 43 2HE LYS 43 -0.060 -6.694 6.129 469 1HZ LYS 43 2HZ LYS 43 2.186 -5.827 5.589 470 2HZ LYS 43 3HZ LYS 43 2.748 -7.358 5.498 471 3HZ LYS 43 1HZ LYS 43 1.648 -6.861 4.388 472 QB LYS 43 QB LYS 43 -1.488 -7.771 9.049 473 QG LYS 43 QG LYS 43 0.692 -8.429 9.043 474 QD LYS 43 QD LYS 43 1.834 -6.774 7.925 475 QE LYS 43 QE LYS 43 0.306 -7.504 6.105 476 QZ LYS 43 QZ LYS 43 2.194 -6.682 5.158 477 H PHE 44 H PHE 44 -3.485 -5.442 10.003 478 HA PHE 44 HA PHE 44 -4.281 -4.344 7.483 479 1HB PHE 44 1HB PHE 44 -5.736 -5.497 9.120 480 2HB PHE 44 2HB PHE 44 -5.568 -4.150 10.206 481 HD1 PHE 44 1HD PHE 44 -7.073 -5.382 7.084 482 HD2 PHE 44 2HD PHE 44 -6.838 -2.022 9.787 483 HE1 PHE 44 1HE PHE 44 -9.142 -4.450 6.097 484 HE2 PHE 44 2HE PHE 44 -8.924 -1.110 8.811 485 1HZ PHE 44 HZ PHE 44 -10.091 -2.321 6.978 486 QB PHE 44 QB PHE 44 -5.652 -4.823 9.663 487 QG PHE 44 QD PHE 44 -6.956 -3.702 8.436 488 QZ PHE 44 QE PHE 44 -9.033 -2.780 7.454 489 QZ PHE 44 QR PHE 44 -8.414 -3.057 7.751 490 H LYS 45 H LYS 45 -3.294 -2.877 10.599 491 HA LYS 45 HA LYS 45 -3.529 -0.143 9.754 492 1HB LYS 45 1HB LYS 45 -1.618 -1.338 11.790 493 2HB LYS 45 2HB LYS 45 -1.947 0.379 11.582 494 1HG LYS 45 1HG LYS 45 -4.253 0.119 12.259 495 2HG LYS 45 2HG LYS 45 -4.121 -1.638 12.271 496 1HD LYS 45 1HD LYS 45 -2.276 -1.398 14.026 497 2HD LYS 45 2HD LYS 45 -2.729 0.326 14.110 498 1HE LYS 45 1HE LYS 45 -5.083 -0.385 14.617 499 2HE LYS 45 2HE LYS 45 -4.544 -2.074 14.623 500 1HZ LYS 45 2HZ LYS 45 -3.575 0.056 16.420 501 2HZ LYS 45 3HZ LYS 45 -4.664 -1.083 16.828 502 3HZ LYS 45 1HZ LYS 45 -3.101 -1.535 16.488 503 QB LYS 45 QB LYS 45 -1.783 -0.480 11.686 504 QG LYS 45 QG LYS 45 -4.187 -0.759 12.265 505 QD LYS 45 QD LYS 45 -2.503 -0.536 14.068 506 QE LYS 45 QE LYS 45 -4.813 -1.230 14.620 507 QZ LYS 45 QZ LYS 45 -3.780 -0.854 16.579 508 H GLU 46 H GLU 46 -0.821 -2.531 9.385 509 HA GLU 46 HA GLU 46 1.005 -0.750 8.340 510 1HB GLU 46 1HB GLU 46 0.935 -3.335 9.105 511 2HB GLU 46 2HB GLU 46 0.769 -3.638 7.395 512 1HG GLU 46 1HG GLU 46 2.895 -1.728 8.181 513 2HG GLU 46 2HG GLU 46 3.106 -3.369 8.765 514 QB GLU 46 QB GLU 46 0.852 -3.486 8.250 515 QG GLU 46 QG GLU 46 3.001 -2.549 8.473 516 H ILE 47 H ILE 47 -1.447 -2.815 6.779 517 HA ILE 47 HA ILE 47 -1.086 -1.910 4.093 518 HB ILE 47 HB ILE 47 -3.614 -2.869 5.407 519 1HG1 ILE 47 1HG1 ILE 47 -1.780 -4.397 3.518 520 2HG1 ILE 47 2HG1 ILE 47 -1.434 -4.393 5.226 521 1HG2 ILE 47 1HG2 ILE 47 -4.062 -1.615 3.257 522 2HG2 ILE 47 2HG2 ILE 47 -2.865 -2.628 2.445 523 3HG2 ILE 47 3HG2 ILE 47 -4.373 -3.334 3.058 524 1HD1 ILE 47 3HD1 ILE 47 -4.072 -5.293 4.023 525 2HD1 ILE 47 1HD1 ILE 47 -2.730 -6.285 4.659 526 3HD1 ILE 47 2HD1 ILE 47 -3.671 -5.254 5.741 527 QG1 ILE 47 QG1 ILE 47 -1.607 -4.395 4.372 528 QG2 ILE 47 QG2 ILE 47 -3.767 -2.526 2.920 529 QD1 ILE 47 QD1 ILE 47 -3.491 -5.611 4.808 530 H ALA 48 H ALA 48 -3.122 -0.538 6.759 531 HA ALA 48 HA ALA 48 -4.403 1.455 5.242 532 1HB ALA 48 3HB ALA 48 -5.060 0.749 7.526 533 2HB ALA 48 1HB ALA 48 -3.634 1.605 8.172 534 3HB ALA 48 2HB ALA 48 -4.910 2.511 7.343 535 QB ALA 48 QB ALA 48 -4.534 1.622 7.680 536 H GLU 49 H GLU 49 -1.223 1.472 6.785 537 HA GLU 49 HA GLU 49 -0.694 4.291 6.364 538 1HB GLU 49 1HB GLU 49 0.390 2.744 8.029 539 2HB GLU 49 2HB GLU 49 1.304 2.023 6.693 540 1HG GLU 49 1HG GLU 49 2.245 4.295 6.177 541 2HG GLU 49 2HG GLU 49 1.347 4.953 7.550 542 QB GLU 49 QB GLU 49 0.847 2.384 7.361 543 QG GLU 49 QG GLU 49 1.796 4.624 6.864 544 H ALA 50 H ALA 50 -0.003 1.307 4.523 545 HA ALA 50 HA ALA 50 1.394 2.693 2.383 546 1HB ALA 50 1HB ALA 50 1.633 0.241 2.879 547 2HB ALA 50 2HB ALA 50 -0.042 -0.012 2.361 548 3HB ALA 50 3HB ALA 50 1.160 0.564 1.191 549 QB ALA 50 QB ALA 50 0.917 0.264 2.143 550 H TYR 51 H TYR 51 -1.945 1.861 3.110 551 HA TYR 51 HA TYR 51 -3.208 2.043 0.613 552 1HB TYR 51 1HB TYR 51 -3.917 1.505 3.196 553 2HB TYR 51 2HB TYR 51 -4.516 3.117 3.123 554 HD1 TYR 51 1HD TYR 51 -4.539 -0.117 1.273 555 HD2 TYR 51 2HD TYR 51 -6.828 3.238 2.693 556 HE1 TYR 51 1HE TYR 51 -6.637 -1.353 0.774 557 HE2 TYR 51 2HE TYR 51 -8.901 2.042 2.200 558 HH TYR 51 HH TYR 51 -9.852 0.094 1.473 559 QB TYR 51 QB TYR 51 -4.217 2.311 3.159 560 QG TYR 51 QD TYR 51 -5.683 1.560 1.983 561 QZ TYR 51 QE TYR 51 -7.769 0.344 1.487 562 QR TYR 51 QR TYR 51 -6.726 0.952 1.735 563 H ASP 52 H ASP 52 -2.607 4.433 3.165 564 HA ASP 52 HA ASP 52 -3.569 6.775 1.912 565 1HB ASP 52 1HB ASP 52 -3.154 6.377 4.341 566 2HB ASP 52 2HB ASP 52 -1.414 6.448 4.039 567 QB ASP 52 QB ASP 52 -2.284 6.413 4.190 568 H VAL 53 H VAL 53 -0.111 5.684 2.295 569 HA VAL 53 HA VAL 53 0.933 7.825 0.775 570 HB VAL 53 HB VAL 53 2.006 5.061 1.482 571 1HG1 VAL 53 1HG1 VAL 53 3.536 7.354 0.175 572 2HG1 VAL 53 2HG1 VAL 53 4.295 5.964 0.984 573 3HG1 VAL 53 3HG1 VAL 53 3.301 5.712 -0.456 574 1HG2 VAL 53 1HG2 VAL 53 1.571 6.818 3.324 575 2HG2 VAL 53 2HG2 VAL 53 3.208 6.153 3.231 576 3HG2 VAL 53 3HG2 VAL 53 2.881 7.755 2.585 577 QG1 VAL 53 QG1 VAL 53 3.710 6.343 0.234 578 QG2 VAL 53 QG2 VAL 53 2.554 6.908 3.047 579 QQG VAL 53 QQG VAL 53 3.132 6.626 1.641 580 H LEU 54 H LEU 54 0.137 4.503 -0.291 581 HA LEU 54 HA LEU 54 1.051 4.780 -3.046 582 1HB LEU 54 1HB LEU 54 0.974 2.801 -1.418 583 2HB LEU 54 2HB LEU 54 -0.754 2.742 -1.757 584 HG LEU 54 HG LEU 54 -0.351 2.090 -4.013 585 1HD1 LEU 54 1HD1 LEU 54 2.580 2.638 -3.384 586 2HD1 LEU 54 2HD1 LEU 54 2.062 1.744 -4.830 587 3HD1 LEU 54 3HD1 LEU 54 1.621 3.446 -4.648 588 1HD2 LEU 54 2HD2 LEU 54 -0.072 0.387 -2.227 589 2HD2 LEU 54 3HD2 LEU 54 0.917 -0.001 -3.647 590 3HD2 LEU 54 1HD2 LEU 54 1.665 0.686 -2.196 591 QB LEU 54 QB LEU 54 0.110 2.772 -1.588 592 QD1 LEU 54 QD1 LEU 54 2.088 2.609 -4.287 593 QD2 LEU 54 QD2 LEU 54 0.836 0.357 -2.690 594 QQD LEU 54 QQD LEU 54 1.462 1.483 -3.489 595 H SER 55 H SER 55 -1.690 6.141 -1.479 596 HA SER 55 HA SER 55 -3.023 6.293 -4.149 597 1HB SER 55 1HB SER 55 -5.082 6.750 -2.983 598 2HB SER 55 2HB SER 55 -4.435 5.173 -2.516 599 HG SER 55 HG SER 55 -3.705 6.050 -0.601 600 QB SER 55 QB SER 55 -4.758 5.962 -2.749 601 H ASP 56 H ASP 56 -1.090 8.064 -1.962 602 HA ASP 56 HA ASP 56 -2.109 10.638 -3.081 603 1HB ASP 56 1HB ASP 56 -2.238 10.636 -0.663 604 2HB ASP 56 2HB ASP 56 -0.559 10.097 -0.528 605 QB ASP 56 QB ASP 56 -1.399 10.366 -0.596 606 HA PRO 57 HA PRO 57 1.788 9.382 -5.122 607 1HB PRO 57 1HB PRO 57 1.308 10.330 -7.643 608 2HB PRO 57 2HB PRO 57 0.653 8.783 -7.026 609 1HG PRO 57 1HG PRO 57 -0.701 11.479 -7.153 610 2HG PRO 57 2HG PRO 57 -1.360 9.896 -7.663 611 1HD PRO 57 1HD PRO 57 -1.928 11.015 -5.230 612 2HD PRO 57 2HD PRO 57 -1.758 9.249 -5.440 613 QB PRO 57 QB PRO 57 0.981 9.557 -7.335 614 QG PRO 57 QG PRO 57 -1.030 10.687 -7.408 615 QD PRO 57 QD PRO 57 -1.843 10.132 -5.335 616 H ARG 58 H ARG 58 0.598 12.347 -4.061 617 HA ARG 58 HA ARG 58 2.781 14.016 -5.179 618 1HB ARG 58 1HB ARG 58 0.688 14.767 -3.128 619 2HB ARG 58 2HB ARG 58 1.847 15.812 -3.899 620 1HG ARG 58 1HG ARG 58 -0.258 16.220 -4.875 621 2HG ARG 58 2HG ARG 58 0.759 15.465 -6.097 622 1HD ARG 58 1HD ARG 58 -0.467 13.416 -5.988 623 2HD ARG 58 2HD ARG 58 -1.196 13.822 -4.447 624 HE ARG 58 HE ARG 58 -2.636 15.389 -5.494 625 1HH1 ARG 58 2HH2 ARG 58 -0.910 13.425 -7.906 626 2HH1 ARG 58 1HH2 ARG 58 -2.314 13.151 -8.896 627 1HH2 ARG 58 2HH1 ARG 58 -4.421 15.246 -6.929 628 2HH2 ARG 58 1HH1 ARG 58 -4.275 14.420 -8.446 629 QB ARG 58 QB ARG 58 1.267 15.289 -3.514 630 QG ARG 58 QG ARG 58 0.250 15.843 -5.486 631 QD ARG 58 QD ARG 58 -0.832 13.619 -5.217 632 QH1 ARG 58 QH2 ARG 58 -1.612 13.288 -8.401 633 QH2 ARG 58 QH1 ARG 58 -4.348 14.833 -7.687 634 H LYS 59 H LYS 59 1.641 12.362 -2.214 635 HA LYS 59 HA LYS 59 4.038 13.023 -0.647 636 1HB LYS 59 1HB LYS 59 1.802 12.325 0.392 637 2HB LYS 59 2HB LYS 59 2.001 10.737 -0.336 638 1HG LYS 59 1HG LYS 59 4.136 10.472 0.989 639 2HG LYS 59 2HG LYS 59 3.795 12.019 1.776 640 1HD LYS 59 1HD LYS 59 1.959 9.589 1.798 641 2HD LYS 59 2HD LYS 59 3.104 10.029 3.087 642 1HE LYS 59 1HE LYS 59 1.887 12.212 3.319 643 2HE LYS 59 2HE LYS 59 0.673 11.626 2.167 644 1HZ LYS 59 1HZ LYS 59 1.339 10.147 4.634 645 2HZ LYS 59 2HZ LYS 59 0.158 11.286 4.578 646 3HZ LYS 59 3HZ LYS 59 0.025 9.934 3.690 647 QB LYS 59 QB LYS 59 1.902 11.531 0.028 648 QG LYS 59 QG LYS 59 3.966 11.246 1.383 649 QD LYS 59 QD LYS 59 2.532 9.809 2.443 650 QE LYS 59 QE LYS 59 1.280 11.919 2.743 651 QZ LYS 59 QZ LYS 59 0.507 10.456 4.301 652 H ARG 60 H ARG 60 2.861 10.028 -2.373 653 HA ARG 60 HA ARG 60 5.327 8.721 -2.223 654 1HB ARG 60 1HB ARG 60 2.814 8.068 -3.127 655 2HB ARG 60 2HB ARG 60 3.684 8.227 -4.667 656 1HG ARG 60 1HG ARG 60 5.456 6.711 -3.796 657 2HG ARG 60 2HG ARG 60 4.592 6.667 -2.251 658 1HD ARG 60 1HD ARG 60 3.425 4.901 -2.906 659 2HD ARG 60 2HD ARG 60 2.714 5.856 -4.207 660 HE ARG 60 HE ARG 60 4.398 5.158 -5.705 661 1HH1 ARG 60 2HH2 ARG 60 4.999 3.533 -2.622 662 2HH1 ARG 60 1HH2 ARG 60 5.512 2.047 -3.321 663 1HH2 ARG 60 2HH1 ARG 60 5.165 3.324 -6.639 664 2HH2 ARG 60 1HH1 ARG 60 5.644 1.898 -5.753 665 QB ARG 60 QB ARG 60 3.249 8.147 -3.897 666 QG ARG 60 QG ARG 60 5.024 6.689 -3.023 667 QD ARG 60 QD ARG 60 3.069 5.379 -3.556 668 QH1 ARG 60 QH2 ARG 60 5.256 2.790 -2.971 669 QH2 ARG 60 QH1 ARG 60 5.405 2.611 -6.196 670 H GLU 61 H GLU 61 4.744 11.638 -4.037 671 HA GLU 61 HA GLU 61 6.000 11.050 -6.392 672 1HB GLU 61 1HB GLU 61 4.749 13.160 -5.326 673 2HB GLU 61 2HB GLU 61 6.366 13.745 -5.110 674 1HG GLU 61 1HG GLU 61 6.642 14.071 -7.398 675 2HG GLU 61 2HG GLU 61 5.692 12.651 -7.825 676 QB GLU 61 QB GLU 61 5.557 13.452 -5.218 677 QG GLU 61 QG GLU 61 6.167 13.361 -7.612 678 H ILE 62 H ILE 62 7.504 11.534 -3.244 679 HA ILE 62 HA ILE 62 10.210 11.648 -4.388 680 HB ILE 62 HB ILE 62 9.345 10.953 -1.536 681 1HG1 ILE 62 1HG1 ILE 62 10.221 13.499 -2.980 682 2HG1 ILE 62 2HG1 ILE 62 8.712 13.223 -2.112 683 1HG2 ILE 62 2HG2 ILE 62 11.578 9.991 -2.155 684 2HG2 ILE 62 3HG2 ILE 62 12.131 11.635 -2.560 685 3HG2 ILE 62 1HG2 ILE 62 11.658 11.206 -0.901 686 1HD1 ILE 62 2HD1 ILE 62 9.981 13.098 0.009 687 2HD1 ILE 62 3HD1 ILE 62 11.472 13.522 -0.882 688 3HD1 ILE 62 1HD1 ILE 62 10.121 14.664 -0.814 689 QG1 ILE 62 QG1 ILE 62 9.466 13.361 -2.546 690 QG2 ILE 62 QG2 ILE 62 11.789 10.944 -1.872 691 QD1 ILE 62 QD1 ILE 62 10.525 13.761 -0.563 692 H PHE 63 H PHE 63 8.408 8.978 -2.572 693 HA PHE 63 HA PHE 63 10.382 7.133 -3.164 694 1HB PHE 63 1HB PHE 63 8.645 6.939 -1.428 695 2HB PHE 63 2HB PHE 63 7.396 6.779 -2.642 696 HD1 PHE 63 2HD PHE 63 7.599 4.641 -4.256 697 HD2 PHE 63 1HD PHE 63 9.562 5.034 -0.449 698 HE1 PHE 63 2HE PHE 63 7.801 2.200 -4.096 699 HE2 PHE 63 1HE PHE 63 9.621 2.564 -0.222 700 1HZ PHE 63 HZ PHE 63 8.723 1.134 -2.030 701 QB PHE 63 QB PHE 63 8.020 6.859 -2.035 702 QG PHE 63 QD PHE 63 8.580 4.837 -2.353 703 QZ PHE 63 QE PHE 63 8.711 2.382 -2.159 704 QZ PHE 63 QR PHE 63 8.661 3.114 -2.211 705 H ASP 64 H ASP 64 7.750 8.168 -5.238 706 HA ASP 64 HA ASP 64 7.549 6.023 -7.061 707 1HB ASP 64 1HB ASP 64 6.058 8.059 -6.715 708 2HB ASP 64 2HB ASP 64 7.228 9.000 -7.647 709 QB ASP 64 QB ASP 64 6.643 8.529 -7.181 710 H ARG 65 H ARG 65 9.855 8.620 -6.738 711 HA ARG 65 HA ARG 65 11.374 7.969 -9.217 712 1HB ARG 65 1HB ARG 65 10.766 10.232 -9.107 713 2HB ARG 65 2HB ARG 65 11.010 10.286 -7.393 714 1HG ARG 65 1HG ARG 65 12.840 11.349 -7.718 715 2HG ARG 65 2HG ARG 65 13.626 9.866 -8.223 716 1HD ARG 65 1HD ARG 65 12.177 11.803 -10.067 717 2HD ARG 65 2HD ARG 65 13.918 11.843 -9.743 718 HE ARG 65 HE ARG 65 13.770 9.352 -10.520 719 1HH1 ARG 65 2HH2 ARG 65 12.243 12.217 -12.043 720 2HH1 ARG 65 1HH2 ARG 65 12.625 11.731 -13.642 721 1HH2 ARG 65 2HH1 ARG 65 13.748 8.479 -12.646 722 2HH2 ARG 65 1HH1 ARG 65 13.242 9.459 -13.994 723 QB ARG 65 QB ARG 65 10.888 10.259 -8.250 724 QG ARG 65 QG ARG 65 13.233 10.608 -7.971 725 QD ARG 65 QD ARG 65 13.048 11.823 -9.905 726 QH1 ARG 65 QH2 ARG 65 12.434 11.974 -12.842 727 QH2 ARG 65 QH1 ARG 65 13.495 8.969 -13.320 728 H TYR 66 H TYR 66 11.842 8.635 -5.764 729 HA TYR 66 HA TYR 66 14.487 7.307 -5.681 730 1HB TYR 66 1HB TYR 66 13.413 9.461 -3.810 731 2HB TYR 66 2HB TYR 66 15.044 8.839 -3.927 732 HD1 TYR 66 1HD TYR 66 16.253 9.210 -6.283 733 HD2 TYR 66 2HD TYR 66 13.040 11.607 -4.668 734 HE1 TYR 66 1HE TYR 66 17.125 11.185 -7.472 735 HE2 TYR 66 2HE TYR 66 13.927 13.596 -5.830 736 HH TYR 66 HH TYR 66 15.975 14.456 -6.883 737 QB TYR 66 QB TYR 66 14.228 9.150 -3.868 738 QG TYR 66 QD TYR 66 14.647 10.408 -5.475 739 QZ TYR 66 QE TYR 66 15.526 12.391 -6.651 740 QR TYR 66 QR TYR 66 15.086 11.400 -6.063 741 H GLY 67 H GLY 67 12.372 5.615 -5.466 742 1HA GLY 67 1HA GLY 67 11.103 5.231 -3.001 743 2HA GLY 67 2HA GLY 67 11.610 3.899 -4.014 744 QA GLY 67 QA GLY 67 11.357 4.565 -3.508 745 H GLU 68 H GLU 68 14.135 3.806 -3.923 746 HA GLU 68 HA GLU 68 14.680 2.935 -1.207 747 1HB GLU 68 1HB GLU 68 14.991 1.730 -3.453 748 2HB GLU 68 2HB GLU 68 16.426 2.715 -3.715 749 1HG GLU 68 1HG GLU 68 17.609 1.606 -1.970 750 2HG GLU 68 2HG GLU 68 16.113 1.034 -1.206 751 QB GLU 68 QB GLU 68 15.709 2.222 -3.584 752 QG GLU 68 QG GLU 68 16.861 1.320 -1.588 753 H GLU 69 H GLU 69 16.091 5.368 -3.448 754 HA GLU 69 HA GLU 69 18.223 6.061 -1.631 755 1HB GLU 69 1HB GLU 69 18.379 6.153 -4.062 756 2HB GLU 69 2HB GLU 69 17.112 7.389 -4.148 757 1HG GLU 69 1HG GLU 69 18.525 8.961 -2.933 758 2HG GLU 69 2HG GLU 69 19.786 7.733 -2.713 759 QB GLU 69 QB GLU 69 17.745 6.771 -4.105 760 QG GLU 69 QG GLU 69 19.155 8.347 -2.823 761 H GLY 70 H GLY 70 14.891 7.154 -2.033 762 1HA GLY 70 1HA GLY 70 15.430 9.851 -0.999 763 2HA GLY 70 2HA GLY 70 13.995 9.267 -1.772 764 QA GLY 70 QA GLY 70 14.713 9.559 -1.386 765 H LEU 71 H LEU 71 13.443 6.911 -0.268 766 HA LEU 71 HA LEU 71 11.927 8.332 1.729 767 1HB LEU 71 1HB LEU 71 11.119 6.379 0.301 768 2HB LEU 71 2HB LEU 71 12.100 5.323 1.320 769 HG LEU 71 HG LEU 71 10.844 6.401 3.327 770 1HD1 LEU 71 3HD1 LEU 71 9.001 7.238 1.027 771 2HD1 LEU 71 1HD1 LEU 71 8.525 7.227 2.732 772 3HD1 LEU 71 2HD1 LEU 71 9.807 8.307 2.193 773 1HD2 LEU 71 2HD2 LEU 71 10.454 4.067 2.318 774 2HD2 LEU 71 3HD2 LEU 71 9.209 4.775 3.355 775 3HD2 LEU 71 1HD2 LEU 71 8.983 4.762 1.606 776 QB LEU 71 QB LEU 71 11.609 5.851 0.810 777 QD1 LEU 71 QD1 LEU 71 9.111 7.591 1.984 778 QD2 LEU 71 QD2 LEU 71 9.549 4.535 2.426 779 QQD LEU 71 QQD LEU 71 9.330 6.063 2.205 780 H LYS 72 H LYS 72 12.795 8.901 3.603 781 HA LYS 72 HA LYS 72 15.328 7.947 4.441 782 1HB LYS 72 1HB LYS 72 14.265 10.324 4.489 783 2HB LYS 72 2HB LYS 72 13.473 9.815 5.975 784 1HG LYS 72 1HG LYS 72 15.418 11.022 6.605 785 2HG LYS 72 2HG LYS 72 15.814 9.331 6.919 786 1HD LYS 72 1HD LYS 72 17.062 9.247 4.747 787 2HD LYS 72 2HD LYS 72 16.647 10.954 4.468 788 1HE LYS 72 1HE LYS 72 17.829 11.601 6.524 789 2HE LYS 72 2HE LYS 72 18.169 9.903 6.889 790 1HZ LYS 72 2HZ LYS 72 19.188 11.362 4.534 791 2HZ LYS 72 3HZ LYS 72 20.060 10.990 5.877 792 3HZ LYS 72 1HZ LYS 72 19.495 9.790 4.889 793 QB LYS 72 QB LYS 72 13.869 10.070 5.232 794 QG LYS 72 QG LYS 72 15.616 10.177 6.762 795 QD LYS 72 QD LYS 72 16.854 10.101 4.607 796 QE LYS 72 QE LYS 72 17.999 10.752 6.707 797 QZ LYS 72 QZ LYS 72 19.581 10.714 5.100 798 H GLY 73 H GLY 73 13.947 5.650 4.644 799 1HA GLY 73 1HA GLY 73 13.584 3.886 6.098 800 2HA GLY 73 2HA GLY 73 14.102 4.903 7.446 801 QA GLY 73 QA GLY 73 13.843 4.394 6.772 802 H SER 74 H SER 74 11.598 6.395 5.557 803 HA SER 74 HA SER 74 10.053 6.806 7.751 804 1HB SER 74 1HB SER 74 8.995 6.852 4.912 805 2HB SER 74 2HB SER 74 8.618 7.962 6.243 806 HG SER 74 HG SER 74 10.031 8.982 4.874 807 QB SER 74 QB SER 74 8.807 7.407 5.577 808 H GLY 75 H GLY 75 8.379 5.749 8.722 809 1HA GLY 75 1HA GLY 75 6.417 4.340 8.538 810 2HA GLY 75 2HA GLY 75 7.324 3.219 7.542 811 QA GLY 75 QA GLY 75 6.870 3.779 8.040 812 H CYS 76 H CYS 76 9.753 3.357 9.091 813 HA CYS 76 HA CYS 76 10.757 1.836 10.387 814 1HB CYS 76 1HB CYS 76 10.211 4.124 11.717 815 2HB CYS 76 2HB CYS 76 9.480 2.976 12.835 816 HG CYS 76 HG CYS 76 11.627 1.423 12.988 817 QB CYS 76 QB CYS 76 9.845 3.550 12.276 No H/Q in entry = 817 Start of MODEL 20 1 H MET 0 H MET 0 14.117 1.717 -6.631 2 HA MET 0 HA MET 0 12.584 1.969 -4.761 3 1HB MET 0 1HB MET 0 10.877 3.276 -5.867 4 2HB MET 0 2HB MET 0 12.413 3.526 -6.693 5 1HG MET 0 1HG MET 0 9.899 2.205 -7.655 6 2HG MET 0 2HG MET 0 10.824 3.506 -8.365 7 1HE MET 0 3HE MET 0 9.503 1.459 -10.033 8 2HE MET 0 1HE MET 0 10.655 2.544 -10.836 9 3HE MET 0 2HE MET 0 10.725 0.791 -11.135 10 QB MET 0 QB MET 0 11.645 3.401 -6.280 11 QG MET 0 QG MET 0 10.361 2.856 -8.010 12 QE MET 0 QE MET 0 10.294 1.598 -10.668 13 H GLY 1 H GLY 1 12.456 -0.350 -3.928 14 1HA GLY 1 1HA GLY 1 9.613 -1.190 -4.299 15 2HA GLY 1 2HA GLY 1 10.972 -2.254 -4.005 16 QA GLY 1 QA GLY 1 10.292 -1.722 -4.152 17 H LYS 2 H LYS 2 11.556 0.453 -2.031 18 HA LYS 2 HA LYS 2 11.206 -1.363 0.075 19 1HB LYS 2 1HB LYS 2 12.539 -0.267 1.326 20 2HB LYS 2 2HB LYS 2 12.961 0.399 -0.185 21 1HG LYS 2 1HG LYS 2 12.950 2.378 0.867 22 2HG LYS 2 2HG LYS 2 11.215 2.374 0.781 23 1HD LYS 2 1HD LYS 2 12.910 1.199 3.050 24 2HD LYS 2 2HD LYS 2 12.315 2.856 3.040 25 1HE LYS 2 1HE LYS 2 10.049 2.201 3.294 26 2HE LYS 2 2HE LYS 2 10.402 0.527 2.843 27 1HZ LYS 2 3HZ LYS 2 11.614 1.629 5.269 28 2HZ LYS 2 1HZ LYS 2 10.103 0.985 5.315 29 3HZ LYS 2 2HZ LYS 2 11.345 0.063 4.837 30 QB LYS 2 QB LYS 2 12.750 0.066 0.571 31 QG LYS 2 QG LYS 2 12.082 2.376 0.824 32 QD LYS 2 QD LYS 2 12.613 2.028 3.045 33 QE LYS 2 QE LYS 2 10.225 1.364 3.068 34 QZ LYS 2 QZ LYS 2 11.021 0.892 5.140 35 H ASP 3 H ASP 3 9.310 -2.063 0.397 36 HA ASP 3 HA ASP 3 7.462 -2.432 1.500 37 1HB ASP 3 1HB ASP 3 8.865 -1.802 3.390 38 2HB ASP 3 2HB ASP 3 8.512 -0.099 3.130 39 QB ASP 3 QB ASP 3 8.688 -0.950 3.260 40 H TYR 4 H TYR 4 5.334 -1.047 2.570 41 HA TYR 4 HA TYR 4 3.398 -0.103 2.074 42 1HB TYR 4 1HB TYR 4 4.881 1.752 0.180 43 2HB TYR 4 2HB TYR 4 3.243 1.947 0.767 44 HD1 TYR 4 2HD TYR 4 6.838 1.791 1.889 45 HD2 TYR 4 1HD TYR 4 2.800 2.983 2.898 46 HE1 TYR 4 2HE TYR 4 7.667 2.904 3.895 47 HE2 TYR 4 1HE TYR 4 3.647 4.151 4.881 48 HH TYR 4 HH TYR 4 6.753 3.516 6.090 49 QB TYR 4 QB TYR 4 4.062 1.850 0.473 50 QG TYR 4 QD TYR 4 4.819 2.387 2.394 51 QZ TYR 4 QE TYR 4 5.657 3.527 4.388 52 QR TYR 4 QR TYR 4 5.238 2.957 3.391 53 H TYR 5 H TYR 5 4.987 -0.040 -1.120 54 HA TYR 5 HA TYR 5 2.899 -0.930 -2.825 55 1HB TYR 5 1HB TYR 5 5.935 -1.158 -2.819 56 2HB TYR 5 2HB TYR 5 4.962 -1.920 -4.039 57 HD1 TYR 5 1HD TYR 5 5.629 1.478 -2.575 58 HD2 TYR 5 2HD TYR 5 4.410 -0.817 -6.008 59 HE1 TYR 5 1HE TYR 5 5.807 3.496 -3.988 60 HE2 TYR 5 2HE TYR 5 4.639 1.201 -7.448 61 HH TYR 5 HH TYR 5 5.392 3.491 -7.522 62 QB TYR 5 QB TYR 5 5.448 -1.539 -3.429 63 QG TYR 5 QD TYR 5 5.020 0.331 -4.292 64 QZ TYR 5 QE TYR 5 5.223 2.349 -5.718 65 QR TYR 5 QR TYR 5 5.121 1.340 -5.005 66 H GLN 6 H GLN 6 5.428 -2.713 -0.996 67 HA GLN 6 HA GLN 6 4.523 -5.204 -1.912 68 1HB GLN 6 1HB GLN 6 6.724 -4.290 -0.388 69 2HB GLN 6 2HB GLN 6 5.860 -5.318 0.741 70 1HG GLN 6 1HG GLN 6 7.160 -6.032 -1.883 71 2HG GLN 6 2HG GLN 6 7.415 -6.743 -0.293 72 1HE2 GLN 6 2HE2 GLN 6 4.709 -8.326 -2.889 73 2HE2 GLN 6 1HE2 GLN 6 5.647 -6.900 -3.245 74 QB GLN 6 QB GLN 6 6.292 -4.804 0.177 75 QG GLN 6 QG GLN 6 7.288 -6.388 -1.088 76 QE2 GLN 6 QE2 GLN 6 5.178 -7.613 -3.067 77 H THR 7 H THR 7 3.470 -3.351 1.031 78 HA THR 7 HA THR 7 2.151 -5.610 2.145 79 HB THR 7 HB THR 7 1.461 -2.697 2.587 80 HG1 THR 7 1HG THR 7 3.087 -3.095 4.360 81 1HG2 THR 7 2HG2 THR 7 0.072 -4.567 3.690 82 2HG2 THR 7 3HG2 THR 7 1.544 -5.017 4.570 83 3HG2 THR 7 1HG2 THR 7 0.832 -3.396 4.750 84 QG2 THR 7 QG2 THR 7 0.816 -4.327 4.337 85 H LEU 8 H LEU 8 1.258 -3.274 -0.272 86 HA LEU 8 HA LEU 8 -1.452 -4.366 -0.516 87 1HB LEU 8 1HB LEU 8 -1.013 -1.952 -0.752 88 2HB LEU 8 2HB LEU 8 -0.050 -2.267 -2.184 89 HG LEU 8 HG LEU 8 -1.888 -2.739 -3.506 90 1HD1 LEU 8 1HD1 LEU 8 -3.119 -4.341 -1.880 91 2HD1 LEU 8 2HD1 LEU 8 -3.990 -2.858 -1.341 92 3HD1 LEU 8 3HD1 LEU 8 -3.940 -3.313 -3.005 93 1HD2 LEU 8 3HD2 LEU 8 -2.075 -0.358 -2.885 94 2HD2 LEU 8 1HD2 LEU 8 -3.657 -1.066 -3.193 95 3HD2 LEU 8 2HD2 LEU 8 -3.134 -0.789 -1.522 96 QB LEU 8 QB LEU 8 -0.531 -2.110 -1.468 97 QD1 LEU 8 QD1 LEU 8 -3.683 -3.504 -2.076 98 QD2 LEU 8 QD2 LEU 8 -2.955 -0.738 -2.533 99 QQD LEU 8 QQD LEU 8 -3.319 -2.121 -2.304 100 H GLY 9 H GLY 9 1.605 -5.328 -1.558 101 1HA GLY 9 1HA GLY 9 1.809 -7.578 -2.238 102 2HA GLY 9 2HA GLY 9 0.260 -7.478 -3.078 103 QA GLY 9 QA GLY 9 1.035 -7.528 -2.658 104 H LEU 10 H LEU 10 2.610 -4.894 -3.594 105 HA LEU 10 HA LEU 10 3.137 -5.958 -6.332 106 1HB LEU 10 1HB LEU 10 2.390 -3.117 -5.648 107 2HB LEU 10 2HB LEU 10 2.669 -3.829 -7.230 108 HG LEU 10 HG LEU 10 0.614 -5.436 -6.101 109 1HD1 LEU 10 2HD1 LEU 10 0.344 -3.631 -4.401 110 2HD1 LEU 10 3HD1 LEU 10 0.022 -2.473 -5.709 111 3HD1 LEU 10 1HD1 LEU 10 -1.076 -3.850 -5.436 112 1HD2 LEU 10 3HD2 LEU 10 0.883 -4.893 -8.448 113 2HD2 LEU 10 1HD2 LEU 10 -0.747 -4.545 -7.857 114 3HD2 LEU 10 2HD2 LEU 10 0.407 -3.207 -8.122 115 QB LEU 10 QB LEU 10 2.530 -3.473 -6.439 116 QD1 LEU 10 QD1 LEU 10 -0.237 -3.318 -5.182 117 QD2 LEU 10 QD2 LEU 10 0.181 -4.215 -8.142 118 QQD LEU 10 QQD LEU 10 -0.028 -3.766 -6.662 119 H ALA 11 H ALA 11 4.903 -4.580 -7.408 120 HA ALA 11 HA ALA 11 6.195 -2.556 -5.938 121 1HB ALA 11 3HB ALA 11 7.376 -4.653 -4.945 122 2HB ALA 11 1HB ALA 11 8.080 -4.828 -6.574 123 3HB ALA 11 2HB ALA 11 8.366 -3.360 -5.605 124 QB ALA 11 QB ALA 11 7.941 -4.280 -5.708 125 H ARG 12 H ARG 12 7.857 -1.559 -7.239 126 HA ARG 12 HA ARG 12 8.563 -0.615 -9.257 127 1HB ARG 12 1HB ARG 12 9.606 -3.466 -9.312 128 2HB ARG 12 2HB ARG 12 10.219 -2.114 -10.275 129 1HG ARG 12 1HG ARG 12 11.723 -1.838 -8.740 130 2HG ARG 12 2HG ARG 12 10.476 -1.013 -7.820 131 1HD ARG 12 1HD ARG 12 10.216 -2.793 -6.332 132 2HD ARG 12 2HD ARG 12 10.773 -4.009 -7.502 133 HE ARG 12 HE ARG 12 12.980 -2.477 -7.150 134 1HH1 ARG 12 2HH2 ARG 12 11.130 -4.874 -5.241 135 2HH1 ARG 12 1HH2 ARG 12 12.472 -5.170 -4.199 136 1HH2 ARG 12 2HH1 ARG 12 14.647 -2.814 -5.598 137 2HH2 ARG 12 1HH1 ARG 12 14.457 -4.152 -4.506 138 QB ARG 12 QB ARG 12 9.912 -2.790 -9.794 139 QG ARG 12 QG ARG 12 11.100 -1.426 -8.280 140 QD ARG 12 QD ARG 12 10.495 -3.401 -6.917 141 QH1 ARG 12 QH2 ARG 12 11.801 -5.022 -4.720 142 QH2 ARG 12 QH1 ARG 12 14.552 -3.483 -5.052 143 H GLY 13 H GLY 13 6.136 -0.849 -9.861 144 1HA GLY 13 1HA GLY 13 5.709 -0.812 -12.518 145 2HA GLY 13 2HA GLY 13 5.708 -2.564 -12.248 146 QA GLY 13 QA GLY 13 5.708 -1.688 -12.383 147 H ALA 14 H ALA 14 4.487 -1.384 -9.437 148 HA ALA 14 HA ALA 14 1.776 -2.026 -9.880 149 1HB ALA 14 3HB ALA 14 3.108 -1.749 -7.671 150 2HB ALA 14 1HB ALA 14 2.749 -0.023 -7.807 151 3HB ALA 14 2HB ALA 14 1.429 -1.188 -7.688 152 QB ALA 14 QB ALA 14 2.429 -0.987 -7.722 153 H SER 15 H SER 15 0.595 -0.996 -11.510 154 HA SER 15 HA SER 15 0.763 1.920 -11.900 155 1HB SER 15 1HB SER 15 -1.074 1.401 -13.554 156 2HB SER 15 2HB SER 15 0.384 0.462 -13.891 157 HG SER 15 HG SER 15 -1.315 -0.932 -13.944 158 QB SER 15 QB SER 15 -0.345 0.932 -13.722 159 H ASP 16 H ASP 16 -1.265 3.117 -11.833 160 HA ASP 16 HA ASP 16 -2.346 2.885 -9.265 161 1HB ASP 16 1HB ASP 16 -3.394 4.360 -11.715 162 2HB ASP 16 2HB ASP 16 -4.116 4.513 -10.110 163 QB ASP 16 QB ASP 16 -3.755 4.437 -10.912 164 H GLU 17 H GLU 17 -3.147 1.309 -12.236 165 HA GLU 17 HA GLU 17 -5.886 0.523 -11.747 166 1HB GLU 17 1HB GLU 17 -4.351 0.804 -13.921 167 2HB GLU 17 2HB GLU 17 -3.891 -0.852 -13.596 168 1HG GLU 17 1HG GLU 17 -6.764 0.119 -13.927 169 2HG GLU 17 2HG GLU 17 -5.758 -0.392 -15.275 170 QB GLU 17 QB GLU 17 -4.121 -0.024 -13.758 171 QG GLU 17 QG GLU 17 -6.261 -0.136 -14.601 172 H GLU 18 H GLU 18 -2.707 -0.833 -10.935 173 HA GLU 18 HA GLU 18 -3.915 -3.448 -10.299 174 1HB GLU 18 1HB GLU 18 -1.501 -2.554 -11.480 175 2HB GLU 18 2HB GLU 18 -1.021 -3.169 -9.925 176 1HG GLU 18 1HG GLU 18 -2.821 -4.718 -11.829 177 2HG GLU 18 2HG GLU 18 -1.082 -4.744 -11.976 178 QB GLU 18 QB GLU 18 -1.261 -2.861 -10.703 179 QG GLU 18 QG GLU 18 -1.951 -4.731 -11.902 180 H ILE 19 H ILE 19 -2.361 -0.569 -8.922 181 HA ILE 19 HA ILE 19 -2.356 -1.290 -6.191 182 HB ILE 19 HB ILE 19 -2.566 1.320 -7.663 183 1HG1 ILE 19 1HG1 ILE 19 -0.479 0.143 -5.753 184 2HG1 ILE 19 2HG1 ILE 19 -0.454 -0.092 -7.500 185 1HG2 ILE 19 2HG2 ILE 19 -3.880 1.674 -5.576 186 2HG2 ILE 19 3HG2 ILE 19 -2.520 1.048 -4.626 187 3HG2 ILE 19 1HG2 ILE 19 -2.371 2.555 -5.554 188 1HD1 ILE 19 3HD1 ILE 19 -0.286 2.338 -7.852 189 2HD1 ILE 19 1HD1 ILE 19 -0.185 2.565 -6.086 190 3HD1 ILE 19 2HD1 ILE 19 1.076 1.651 -6.932 191 QG1 ILE 19 QG1 ILE 19 -0.467 0.026 -6.627 192 QG2 ILE 19 QG2 ILE 19 -2.924 1.759 -5.252 193 QD1 ILE 19 QD1 ILE 19 0.202 2.185 -6.957 194 H LYS 20 H LYS 20 -4.858 0.507 -8.113 195 HA LYS 20 HA LYS 20 -6.791 0.310 -6.029 196 1HB LYS 20 1HB LYS 20 -6.974 1.145 -8.925 197 2HB LYS 20 2HB LYS 20 -8.393 1.058 -7.887 198 1HG LYS 20 1HG LYS 20 -7.695 2.702 -6.430 199 2HG LYS 20 2HG LYS 20 -5.980 2.474 -6.766 200 1HD LYS 20 1HD LYS 20 -6.136 3.638 -8.867 201 2HD LYS 20 2HD LYS 20 -7.899 3.807 -8.707 202 1HE LYS 20 1HE LYS 20 -7.748 5.301 -6.921 203 2HE LYS 20 2HE LYS 20 -6.134 4.761 -6.446 204 1HZ LYS 20 1HZ LYS 20 -6.619 6.264 -8.931 205 2HZ LYS 20 2HZ LYS 20 -6.195 6.971 -7.498 206 3HZ LYS 20 3HZ LYS 20 -5.166 5.937 -8.178 207 QB LYS 20 QB LYS 20 -7.683 1.102 -8.406 208 QG LYS 20 QG LYS 20 -6.837 2.588 -6.598 209 QD LYS 20 QD LYS 20 -7.017 3.723 -8.787 210 QE LYS 20 QE LYS 20 -6.941 5.031 -6.683 211 QZ LYS 20 QZ LYS 20 -5.993 6.391 -8.203 212 H ARG 21 H ARG 21 -5.937 -1.983 -8.559 213 HA ARG 21 HA ARG 21 -8.265 -3.654 -8.259 214 1HB ARG 21 1HB ARG 21 -6.738 -4.050 -10.088 215 2HB ARG 21 2HB ARG 21 -5.373 -4.251 -9.022 216 1HG ARG 21 1HG ARG 21 -6.281 -6.288 -8.054 217 2HG ARG 21 2HG ARG 21 -7.799 -6.039 -8.911 218 1HD ARG 21 1HD ARG 21 -5.188 -6.456 -10.380 219 2HD ARG 21 2HD ARG 21 -6.092 -7.821 -9.729 220 HE ARG 21 HE ARG 21 -6.593 -6.392 -12.104 221 1HH1 ARG 21 2HH2 ARG 21 -8.594 -7.761 -9.427 222 2HH1 ARG 21 1HH2 ARG 21 -9.779 -8.394 -10.492 223 1HH2 ARG 21 2HH1 ARG 21 -8.165 -7.350 -13.444 224 2HH2 ARG 21 1HH1 ARG 21 -9.717 -7.832 -12.790 225 QB ARG 21 QB ARG 21 -6.056 -4.151 -9.555 226 QG ARG 21 QG ARG 21 -7.040 -6.163 -8.483 227 QD ARG 21 QD ARG 21 -5.640 -7.139 -10.055 228 QH1 ARG 21 QH2 ARG 21 -9.186 -8.078 -9.960 229 QH2 ARG 21 QH1 ARG 21 -8.941 -7.591 -13.117 230 H ALA 22 H ALA 22 -5.008 -4.082 -6.952 231 HA ALA 22 HA ALA 22 -5.642 -6.008 -4.970 232 1HB ALA 22 1HB ALA 22 -3.402 -5.624 -5.860 233 2HB ALA 22 2HB ALA 22 -3.354 -4.045 -5.056 234 3HB ALA 22 3HB ALA 22 -3.440 -5.544 -4.090 235 QB ALA 22 QB ALA 22 -3.399 -5.071 -5.002 236 H TYR 23 H TYR 23 -6.012 -2.543 -4.659 237 HA TYR 23 HA TYR 23 -5.951 -1.907 -2.118 238 1HB TYR 23 1HB TYR 23 -7.136 -1.096 -4.545 239 2HB TYR 23 2HB TYR 23 -8.458 -1.203 -3.478 240 HD1 TYR 23 2HD TYR 23 -5.324 0.305 -2.084 241 HD2 TYR 23 1HD TYR 23 -8.962 0.917 -4.324 242 HE1 TYR 23 2HE TYR 23 -5.078 2.758 -1.839 243 HE2 TYR 23 1HE TYR 23 -8.665 3.352 -4.167 244 HH TYR 23 HH TYR 23 -6.029 4.964 -2.453 245 QB TYR 23 QB TYR 23 -7.797 -1.150 -4.011 246 QG TYR 23 QD TYR 23 -7.143 0.611 -3.204 247 QZ TYR 23 QE TYR 23 -6.872 3.055 -3.003 248 QR TYR 23 QR TYR 23 -7.008 1.833 -3.104 249 H ARG 24 H ARG 24 -8.998 -3.321 -3.496 250 HA ARG 24 HA ARG 24 -10.161 -3.787 -0.852 251 1HB ARG 24 1HB ARG 24 -11.450 -3.216 -2.942 252 2HB ARG 24 2HB ARG 24 -11.096 -4.832 -3.556 253 1HG ARG 24 1HG ARG 24 -12.329 -5.877 -1.753 254 2HG ARG 24 2HG ARG 24 -12.493 -4.343 -0.895 255 1HD ARG 24 1HD ARG 24 -13.573 -4.069 -3.600 256 2HD ARG 24 2HD ARG 24 -14.244 -5.506 -2.843 257 HE ARG 24 HE ARG 24 -15.608 -4.183 -1.646 258 1HH1 ARG 24 2HH2 ARG 24 -13.071 -1.989 -2.791 259 2HH1 ARG 24 1HH2 ARG 24 -13.253 -0.858 -1.469 260 1HH2 ARG 24 2HH1 ARG 24 -16.185 -2.385 -0.218 261 2HH2 ARG 24 1HH1 ARG 24 -15.321 -0.887 -0.455 262 QB ARG 24 QB ARG 24 -11.273 -4.024 -3.249 263 QG ARG 24 QG ARG 24 -12.411 -5.110 -1.324 264 QD ARG 24 QD ARG 24 -13.909 -4.787 -3.222 265 QH1 ARG 24 QH2 ARG 24 -13.162 -1.424 -2.130 266 QH2 ARG 24 QH1 ARG 24 -15.753 -1.636 -0.337 267 H ARG 25 H ARG 25 -8.408 -5.793 -3.196 268 HA ARG 25 HA ARG 25 -8.770 -8.283 -1.866 269 1HB ARG 25 1HB ARG 25 -7.597 -8.864 -3.663 270 2HB ARG 25 2HB ARG 25 -7.094 -7.223 -3.980 271 1HG ARG 25 1HG ARG 25 -5.205 -7.531 -2.330 272 2HG ARG 25 2HG ARG 25 -5.705 -9.224 -2.152 273 1HD ARG 25 1HD ARG 25 -5.152 -9.603 -4.535 274 2HD ARG 25 2HD ARG 25 -4.713 -7.898 -4.715 275 HE ARG 25 HE ARG 25 -3.285 -8.815 -2.502 276 1HH1 ARG 25 2HH2 ARG 25 -3.131 -9.490 -6.049 277 2HH1 ARG 25 1HH2 ARG 25 -1.432 -9.848 -5.910 278 1HH2 ARG 25 2HH1 ARG 25 -1.237 -9.434 -2.442 279 2HH2 ARG 25 1HH1 ARG 25 -0.381 -9.906 -3.918 280 QB ARG 25 QB ARG 25 -7.346 -8.044 -3.822 281 QG ARG 25 QG ARG 25 -5.455 -8.377 -2.241 282 QD ARG 25 QD ARG 25 -4.932 -8.750 -4.625 283 QH1 ARG 25 QH2 ARG 25 -2.281 -9.669 -5.979 284 QH2 ARG 25 QH1 ARG 25 -0.809 -9.670 -3.180 285 H GLN 26 H GLN 26 -6.472 -5.511 -1.135 286 HA GLN 26 HA GLN 26 -5.161 -6.965 0.878 287 1HB GLN 26 1HB GLN 26 -4.746 -4.692 -0.447 288 2HB GLN 26 2HB GLN 26 -5.441 -3.967 0.996 289 1HG GLN 26 1HG GLN 26 -3.784 -5.547 2.313 290 2HG GLN 26 2HG GLN 26 -2.952 -5.732 0.775 291 1HE2 GLN 26 2HE2 GLN 26 -2.535 -1.828 1.174 292 2HE2 GLN 26 1HE2 GLN 26 -3.687 -2.698 0.230 293 QB GLN 26 QB GLN 26 -5.093 -4.329 0.275 294 QG GLN 26 QG GLN 26 -3.368 -5.640 1.544 295 QE2 GLN 26 QE2 GLN 26 -3.111 -2.263 0.702 296 H ALA 27 H ALA 27 -7.931 -4.694 1.013 297 HA ALA 27 HA ALA 27 -8.383 -4.653 3.805 298 1HB ALA 27 2HB ALA 27 -9.591 -3.214 2.206 299 2HB ALA 27 3HB ALA 27 -10.468 -4.632 1.586 300 3HB ALA 27 1HB ALA 27 -10.699 -4.111 3.265 301 QB ALA 27 QB ALA 27 -10.253 -3.986 2.352 302 H LEU 28 H LEU 28 -9.674 -6.900 1.370 303 HA LEU 28 HA LEU 28 -11.009 -8.696 3.093 304 1HB LEU 28 1HB LEU 28 -11.297 -8.409 0.685 305 2HB LEU 28 2HB LEU 28 -9.717 -9.094 0.362 306 HG LEU 28 HG LEU 28 -11.834 -10.695 1.842 307 1HD1 LEU 28 3HD1 LEU 28 -11.500 -10.403 -1.182 308 2HD1 LEU 28 1HD1 LEU 28 -12.560 -11.570 -0.363 309 3HD1 LEU 28 2HD1 LEU 28 -12.885 -9.838 -0.219 310 1HD2 LEU 28 1HD2 LEU 28 -9.464 -11.454 0.052 311 2HD2 LEU 28 2HD2 LEU 28 -9.596 -11.727 1.807 312 3HD2 LEU 28 3HD2 LEU 28 -10.648 -12.598 0.715 313 QB LEU 28 QB LEU 28 -10.507 -8.751 0.524 314 QD1 LEU 28 QD1 LEU 28 -12.315 -10.604 -0.588 315 QD2 LEU 28 QD2 LEU 28 -9.903 -11.926 0.858 316 QQD LEU 28 QQD LEU 28 -11.109 -11.265 0.135 317 H ARG 29 H ARG 29 -7.607 -8.821 1.845 318 HA ARG 29 HA ARG 29 -6.904 -11.327 2.736 319 1HB ARG 29 1HB ARG 29 -5.604 -10.063 1.109 320 2HB ARG 29 2HB ARG 29 -5.362 -8.755 2.259 321 1HG ARG 29 1HG ARG 29 -3.311 -9.702 2.309 322 2HG ARG 29 2HG ARG 29 -4.099 -10.446 3.683 323 1HD ARG 29 1HD ARG 29 -3.127 -12.299 2.795 324 2HD ARG 29 2HD ARG 29 -4.676 -12.375 1.968 325 HE ARG 29 HE ARG 29 -3.581 -12.121 -0.019 326 1HH1 ARG 29 2HH2 ARG 29 -1.329 -11.095 2.506 327 2HH1 ARG 29 1HH2 ARG 29 0.039 -10.919 1.460 328 1HH2 ARG 29 2HH1 ARG 29 -1.839 -11.973 -1.413 329 2HH2 ARG 29 1HH1 ARG 29 -0.246 -11.549 -0.859 330 QB ARG 29 QB ARG 29 -5.483 -9.409 1.684 331 QG ARG 29 QG ARG 29 -3.705 -10.074 2.996 332 QD ARG 29 QD ARG 29 -3.901 -12.337 2.381 333 QH1 ARG 29 QH2 ARG 29 -0.645 -11.007 1.983 334 QH2 ARG 29 QH1 ARG 29 -1.043 -11.761 -1.136 335 H TYR 30 H TYR 30 -6.513 -8.199 4.530 336 HA TYR 30 HA TYR 30 -5.565 -9.859 6.839 337 1HB TYR 30 1HB TYR 30 -5.362 -6.862 6.489 338 2HB TYR 30 2HB TYR 30 -4.559 -7.842 7.700 339 HD1 TYR 30 2HD TYR 30 -3.298 -10.052 6.312 340 HD2 TYR 30 1HD TYR 30 -3.713 -5.931 5.106 341 HE1 TYR 30 2HE TYR 30 -1.355 -10.289 4.853 342 HE2 TYR 30 1HE TYR 30 -1.768 -6.134 3.643 343 HH TYR 30 HH TYR 30 -0.113 -7.501 2.910 344 QB TYR 30 QB TYR 30 -4.961 -7.352 7.094 345 QG TYR 30 QD TYR 30 -3.506 -7.992 5.709 346 QZ TYR 30 QE TYR 30 -1.561 -8.211 4.248 347 QR TYR 30 QR TYR 30 -2.533 -8.101 4.979 348 H HIS 31 H HIS 31 -8.495 -8.772 5.944 349 HA HIS 31 HA HIS 31 -9.462 -7.011 7.676 350 1HB HIS 31 1HB HIS 31 -10.508 -8.677 5.763 351 2HB HIS 31 2HB HIS 31 -11.341 -9.251 7.166 352 HD1 HIS 31 1HD HIS 31 -12.377 -6.712 8.634 353 HD2 HIS 31 2HD HIS 31 -11.856 -7.005 4.468 354 HE1 HIS 31 1HE HIS 31 -13.697 -4.842 7.637 355 QB HIS 31 QB HIS 31 -10.925 -8.964 6.464 356 HA PRO 32 HA PRO 32 -9.132 -9.308 11.630 357 1HB PRO 32 1HB PRO 32 -9.856 -7.277 13.349 358 2HB PRO 32 2HB PRO 32 -8.206 -7.486 12.682 359 1HG PRO 32 1HG PRO 32 -10.414 -5.659 11.692 360 2HG PRO 32 2HG PRO 32 -8.681 -5.271 11.936 361 1HD PRO 32 1HD PRO 32 -9.666 -5.881 9.485 362 2HD PRO 32 2HD PRO 32 -8.049 -6.458 10.003 363 QB PRO 32 QB PRO 32 -9.031 -7.382 13.015 364 QG PRO 32 QG PRO 32 -9.547 -5.465 11.814 365 QD PRO 32 QD PRO 32 -8.858 -6.170 9.744 366 H ASP 33 H ASP 33 -11.730 -7.167 10.648 367 HA ASP 33 HA ASP 33 -13.827 -8.376 12.184 368 1HB ASP 33 1HB ASP 33 -14.004 -6.089 11.690 369 2HB ASP 33 2HB ASP 33 -13.556 -6.295 10.013 370 QB ASP 33 QB ASP 33 -13.780 -6.192 10.852 371 H LYS 34 H LYS 34 -12.312 -9.684 9.436 372 HA LYS 34 HA LYS 34 -14.723 -11.315 8.849 373 1HB LYS 34 1HB LYS 34 -15.108 -9.566 7.393 374 2HB LYS 34 2HB LYS 34 -13.449 -9.408 6.904 375 1HG LYS 34 1HG LYS 34 -13.492 -11.264 5.480 376 2HG LYS 34 2HG LYS 34 -14.950 -11.937 6.233 377 1HD LYS 34 1HD LYS 34 -15.307 -10.873 3.975 378 2HD LYS 34 2HD LYS 34 -16.362 -10.306 5.272 379 1HE LYS 34 1HE LYS 34 -14.950 -8.288 5.545 380 2HE LYS 34 2HE LYS 34 -13.889 -8.855 4.232 381 1HZ LYS 34 1HZ LYS 34 -16.771 -8.256 3.979 382 2HZ LYS 34 2HZ LYS 34 -15.575 -7.243 3.525 383 3HZ LYS 34 3HZ LYS 34 -15.778 -8.694 2.740 384 QB LYS 34 QB LYS 34 -14.278 -9.487 7.149 385 QG LYS 34 QG LYS 34 -14.221 -11.600 5.856 386 QD LYS 34 QD LYS 34 -15.834 -10.589 4.624 387 QE LYS 34 QE LYS 34 -14.420 -8.571 4.889 388 QZ LYS 34 QZ LYS 34 -16.041 -8.065 3.414 389 H ASN 35 H ASN 35 -11.176 -10.915 8.239 390 HA ASN 35 HA ASN 35 -10.968 -13.715 7.359 391 1HB ASN 35 1HB ASN 35 -9.298 -11.890 6.602 392 2HB ASN 35 2HB ASN 35 -8.681 -11.893 8.259 393 1HD2 ASN 35 2HD2 ASN 35 -6.542 -14.265 6.344 394 2HD2 ASN 35 1HD2 ASN 35 -6.958 -12.605 6.080 395 QB ASN 35 QB ASN 35 -8.990 -11.891 7.431 396 QD2 ASN 35 QD2 ASN 35 -6.750 -13.435 6.212 397 H LYS 36 H LYS 36 -10.279 -11.593 10.161 398 HA LYS 36 HA LYS 36 -9.733 -11.930 12.242 399 1HB LYS 36 1HB LYS 36 -11.922 -13.862 11.915 400 2HB LYS 36 2HB LYS 36 -10.795 -14.412 13.127 401 1HG LYS 36 1HG LYS 36 -11.017 -11.835 13.945 402 2HG LYS 36 2HG LYS 36 -12.586 -12.023 13.150 403 1HD LYS 36 1HD LYS 36 -11.427 -13.729 15.395 404 2HD LYS 36 2HD LYS 36 -12.687 -12.492 15.550 405 1HE LYS 36 1HE LYS 36 -14.143 -13.837 14.021 406 2HE LYS 36 2HE LYS 36 -12.914 -15.112 14.003 407 1HZ LYS 36 1HZ LYS 36 -14.297 -14.143 16.439 408 2HZ LYS 36 2HZ LYS 36 -14.688 -15.487 15.609 409 3HZ LYS 36 3HZ LYS 36 -13.223 -15.401 16.354 410 QB LYS 36 QB LYS 36 -11.359 -14.137 12.521 411 QG LYS 36 QG LYS 36 -11.801 -11.929 13.547 412 QD LYS 36 QD LYS 36 -12.057 -13.110 15.472 413 QE LYS 36 QE LYS 36 -13.528 -14.475 14.012 414 QZ LYS 36 QZ LYS 36 -14.069 -15.010 16.134 415 H GLU 37 H GLU 37 -7.901 -12.839 10.151 416 HA GLU 37 HA GLU 37 -6.650 -15.226 10.910 417 1HB GLU 37 1HB GLU 37 -6.319 -13.303 8.933 418 2HB GLU 37 2HB GLU 37 -4.811 -13.222 9.838 419 1HG GLU 37 1HG GLU 37 -4.629 -15.702 9.666 420 2HG GLU 37 2HG GLU 37 -6.075 -15.732 8.655 421 QB GLU 37 QB GLU 37 -5.565 -13.262 9.385 422 QG GLU 37 QG GLU 37 -5.352 -15.717 9.161 423 HA PRO 38 HA PRO 38 -4.655 -13.398 14.619 424 1HB PRO 38 1HB PRO 38 -2.789 -15.321 15.189 425 2HB PRO 38 2HB PRO 38 -4.519 -15.494 15.572 426 1HG PRO 38 1HG PRO 38 -3.001 -16.582 13.183 427 2HG PRO 38 2HG PRO 38 -4.168 -17.432 14.240 428 1HD PRO 38 1HD PRO 38 -4.882 -16.380 11.825 429 2HD PRO 38 2HD PRO 38 -6.008 -16.373 13.216 430 QB PRO 38 QB PRO 38 -3.654 -15.407 15.381 431 QG PRO 38 QG PRO 38 -3.585 -17.007 13.711 432 QD PRO 38 QD PRO 38 -5.445 -16.377 12.521 433 H GLY 39 H GLY 39 -2.778 -12.148 14.917 434 1HA GLY 39 1HA GLY 39 -0.731 -11.205 14.504 435 2HA GLY 39 2HA GLY 39 -0.352 -12.562 13.440 436 QA GLY 39 QA GLY 39 -0.542 -11.883 13.972 437 H ALA 40 H ALA 40 -3.243 -10.743 12.653 438 HA ALA 40 HA ALA 40 -1.844 -9.547 10.321 439 1HB ALA 40 2HB ALA 40 -3.150 -11.543 9.746 440 2HB ALA 40 3HB ALA 40 -4.609 -10.790 10.445 441 3HB ALA 40 1HB ALA 40 -3.835 -10.079 9.018 442 QB ALA 40 QB ALA 40 -3.865 -10.804 9.736 443 H GLU 41 H GLU 41 -3.621 -8.684 13.118 444 HA GLU 41 HA GLU 41 -5.360 -6.775 11.953 445 1HB GLU 41 1HB GLU 41 -5.573 -7.835 14.190 446 2HB GLU 41 2HB GLU 41 -4.284 -6.802 14.811 447 1HG GLU 41 1HG GLU 41 -6.707 -5.594 13.405 448 2HG GLU 41 2HG GLU 41 -6.867 -6.234 15.031 449 QB GLU 41 QB GLU 41 -4.929 -7.319 14.500 450 QG GLU 41 QG GLU 41 -6.787 -5.914 14.218 451 H GLU 42 H GLU 42 -2.048 -6.410 13.220 452 HA GLU 42 HA GLU 42 -2.003 -3.559 12.803 453 1HB GLU 42 1HB GLU 42 -0.351 -4.873 14.243 454 2HB GLU 42 2HB GLU 42 0.411 -5.421 12.751 455 1HG GLU 42 1HG GLU 42 1.608 -3.492 13.649 456 2HG GLU 42 2HG GLU 42 0.879 -3.067 12.103 457 QB GLU 42 QB GLU 42 0.030 -5.147 13.497 458 QG GLU 42 QG GLU 42 1.244 -3.279 12.876 459 H LYS 43 H LYS 43 -1.183 -6.381 10.810 460 HA LYS 43 HA LYS 43 -0.360 -5.063 8.509 461 1HB LYS 43 1HB LYS 43 -1.001 -7.704 9.246 462 2HB LYS 43 2HB LYS 43 -2.059 -7.391 7.909 463 1HG LYS 43 1HG LYS 43 -0.410 -7.514 6.394 464 2HG LYS 43 2HG LYS 43 0.616 -6.388 7.238 465 1HD LYS 43 1HD LYS 43 0.338 -9.338 7.935 466 2HD LYS 43 2HD LYS 43 1.637 -8.650 6.956 467 1HE LYS 43 1HE LYS 43 1.048 -7.887 9.855 468 2HE LYS 43 2HE LYS 43 2.303 -9.017 9.327 469 1HZ LYS 43 2HZ LYS 43 3.356 -7.211 8.127 470 2HZ LYS 43 3HZ LYS 43 2.216 -6.137 8.624 471 3HZ LYS 43 1HZ LYS 43 3.166 -6.839 9.738 472 QB LYS 43 QB LYS 43 -1.530 -7.547 8.577 473 QG LYS 43 QG LYS 43 0.103 -6.951 6.816 474 QD LYS 43 QD LYS 43 0.988 -8.994 7.446 475 QE LYS 43 QE LYS 43 1.675 -8.452 9.591 476 QZ LYS 43 QZ LYS 43 2.913 -6.729 8.830 477 H PHE 44 H PHE 44 -3.643 -5.650 9.690 478 HA PHE 44 HA PHE 44 -4.962 -4.565 7.366 479 1HB PHE 44 1HB PHE 44 -6.109 -5.950 9.047 480 2HB PHE 44 2HB PHE 44 -6.030 -4.636 10.198 481 HD1 PHE 44 1HD PHE 44 -7.513 -5.679 6.950 482 HD2 PHE 44 2HD PHE 44 -7.530 -2.733 10.102 483 HE1 PHE 44 1HE PHE 44 -9.608 -4.720 6.044 484 HE2 PHE 44 2HE PHE 44 -9.612 -1.762 9.172 485 1HZ PHE 44 HZ PHE 44 -10.651 -2.736 7.141 486 QB PHE 44 QB PHE 44 -6.069 -5.293 9.623 487 QG PHE 44 QD PHE 44 -7.522 -4.206 8.526 488 QZ PHE 44 QE PHE 44 -9.610 -3.241 7.608 489 QZ PHE 44 QR PHE 44 -8.983 -3.526 7.882 490 H LYS 45 H LYS 45 -3.957 -3.066 10.478 491 HA LYS 45 HA LYS 45 -4.778 -0.394 9.844 492 1HB LYS 45 1HB LYS 45 -2.430 -1.345 11.534 493 2HB LYS 45 2HB LYS 45 -2.976 0.321 11.417 494 1HG LYS 45 1HG LYS 45 -5.079 -0.175 12.480 495 2HG LYS 45 2HG LYS 45 -4.820 -1.921 12.349 496 1HD LYS 45 1HD LYS 45 -4.395 -1.169 14.649 497 2HD LYS 45 2HD LYS 45 -2.951 -1.837 13.887 498 1HE LYS 45 1HE LYS 45 -2.363 0.629 13.282 499 2HE LYS 45 2HE LYS 45 -3.589 1.082 14.477 500 1HZ LYS 45 3HZ LYS 45 -1.210 -0.611 14.940 501 2HZ LYS 45 1HZ LYS 45 -1.324 0.985 15.323 502 3HZ LYS 45 2HZ LYS 45 -2.250 -0.091 16.131 503 QB LYS 45 QB LYS 45 -2.703 -0.512 11.476 504 QG LYS 45 QG LYS 45 -4.950 -1.048 12.415 505 QD LYS 45 QD LYS 45 -3.673 -1.503 14.268 506 QE LYS 45 QE LYS 45 -2.976 0.856 13.879 507 QZ LYS 45 QZ LYS 45 -1.595 0.094 15.465 508 H GLU 46 H GLU 46 -1.862 -2.220 8.859 509 HA GLU 46 HA GLU 46 -0.356 -0.271 7.792 510 1HB GLU 46 1HB GLU 46 -0.415 -3.024 8.184 511 2HB GLU 46 2HB GLU 46 -0.236 -2.875 6.457 512 1HG GLU 46 1HG GLU 46 1.596 -1.170 7.161 513 2HG GLU 46 2HG GLU 46 1.522 -1.944 8.739 514 QB GLU 46 QB GLU 46 -0.325 -2.950 7.321 515 QG GLU 46 QG GLU 46 1.559 -1.557 7.950 516 H ILE 47 H ILE 47 -3.107 -2.075 6.395 517 HA ILE 47 HA ILE 47 -2.851 -1.552 3.610 518 HB ILE 47 HB ILE 47 -5.363 -1.502 5.271 519 1HG1 ILE 47 1HG1 ILE 47 -4.029 -3.873 3.921 520 2HG1 ILE 47 2HG1 ILE 47 -4.079 -3.560 5.644 521 1HG2 ILE 47 3HG2 ILE 47 -5.589 -0.601 2.896 522 2HG2 ILE 47 1HG2 ILE 47 -5.033 -2.158 2.303 523 3HG2 ILE 47 2HG2 ILE 47 -6.556 -2.031 3.172 524 1HD1 ILE 47 3HD1 ILE 47 -6.577 -3.502 5.493 525 2HD1 ILE 47 1HD1 ILE 47 -6.369 -4.082 3.821 526 3HD1 ILE 47 2HD1 ILE 47 -5.817 -5.091 5.161 527 QG1 ILE 47 QG1 ILE 47 -4.054 -3.716 4.783 528 QG2 ILE 47 QG2 ILE 47 -5.726 -1.597 2.790 529 QD1 ILE 47 QD1 ILE 47 -6.254 -4.225 4.825 530 H ALA 48 H ALA 48 -4.447 0.404 6.245 531 HA ALA 48 HA ALA 48 -5.318 2.479 4.533 532 1HB ALA 48 2HB ALA 48 -4.792 2.445 7.514 533 2HB ALA 48 3HB ALA 48 -5.575 3.780 6.645 534 3HB ALA 48 1HB ALA 48 -6.328 2.182 6.670 535 QB ALA 48 QB ALA 48 -5.565 2.802 6.943 536 H GLU 49 H GLU 49 -2.251 2.074 6.354 537 HA GLU 49 HA GLU 49 -1.284 4.750 5.772 538 1HB GLU 49 1HB GLU 49 -0.579 3.163 7.673 539 2HB GLU 49 2HB GLU 49 0.436 2.344 6.484 540 1HG GLU 49 1HG GLU 49 1.643 4.461 6.049 541 2HG GLU 49 2HG GLU 49 0.550 5.333 7.132 542 QB GLU 49 QB GLU 49 -0.072 2.753 7.079 543 QG GLU 49 QG GLU 49 1.096 4.897 6.590 544 H ALA 50 H ALA 50 -0.873 1.480 4.247 545 HA ALA 50 HA ALA 50 0.792 2.562 2.117 546 1HB ALA 50 3HB ALA 50 -0.724 -0.076 2.403 547 2HB ALA 50 1HB ALA 50 0.426 0.310 1.106 548 3HB ALA 50 2HB ALA 50 0.977 0.205 2.786 549 QB ALA 50 QB ALA 50 0.226 0.146 2.099 550 H TYR 51 H TYR 51 -2.602 2.706 2.814 551 HA TYR 51 HA TYR 51 -3.583 2.717 0.082 552 1HB TYR 51 1HB TYR 51 -4.737 2.425 2.552 553 2HB TYR 51 2HB TYR 51 -5.052 4.102 2.324 554 HD1 TYR 51 1HD TYR 51 -5.523 0.673 0.999 555 HD2 TYR 51 2HD TYR 51 -7.027 4.719 1.067 556 HE1 TYR 51 1HE TYR 51 -7.701 -0.130 0.129 557 HE2 TYR 51 2HE TYR 51 -9.168 3.933 0.179 558 HH TYR 51 HH TYR 51 -10.179 2.150 -0.947 559 QB TYR 51 QB TYR 51 -4.895 3.264 2.438 560 QG TYR 51 QD TYR 51 -6.275 2.696 1.033 561 QZ TYR 51 QE TYR 51 -8.434 1.902 0.154 562 QR TYR 51 QR TYR 51 -7.355 2.299 0.593 563 H ASP 52 H ASP 52 -2.840 5.052 2.654 564 HA ASP 52 HA ASP 52 -3.167 7.495 1.278 565 1HB ASP 52 1HB ASP 52 -2.902 7.162 3.751 566 2HB ASP 52 2HB ASP 52 -1.200 6.816 3.493 567 QB ASP 52 QB ASP 52 -2.051 6.989 3.622 568 H VAL 53 H VAL 53 -0.077 5.608 1.822 569 HA VAL 53 HA VAL 53 1.357 7.331 0.082 570 HB VAL 53 HB VAL 53 1.897 4.407 0.800 571 1HG1 VAL 53 3HG1 VAL 53 3.712 6.387 -0.661 572 2HG1 VAL 53 1HG1 VAL 53 4.261 4.859 0.073 573 3HG1 VAL 53 2HG1 VAL 53 3.129 4.827 -1.277 574 1HG2 VAL 53 2HG2 VAL 53 2.910 7.107 1.709 575 2HG2 VAL 53 3HG2 VAL 53 1.997 5.921 2.667 576 3HG2 VAL 53 1HG2 VAL 53 3.676 5.572 2.177 577 QG1 VAL 53 QG1 VAL 53 3.700 5.358 -0.622 578 QG2 VAL 53 QG2 VAL 53 2.861 6.200 2.184 579 QQG VAL 53 QQG VAL 53 3.281 5.779 0.781 580 H LEU 54 H LEU 54 -0.355 4.183 -0.797 581 HA LEU 54 HA LEU 54 0.762 4.406 -3.374 582 1HB LEU 54 1HB LEU 54 -1.324 2.553 -2.252 583 2HB LEU 54 2HB LEU 54 -0.559 2.439 -3.810 584 HG LEU 54 HG LEU 54 1.032 2.328 -1.219 585 1HD1 LEU 54 3HD1 LEU 54 -0.455 0.395 -1.484 586 2HD1 LEU 54 1HD1 LEU 54 0.243 0.081 -3.105 587 3HD1 LEU 54 2HD1 LEU 54 1.235 -0.048 -1.634 588 1HD2 LEU 54 2HD2 LEU 54 1.872 1.917 -4.105 589 2HD2 LEU 54 3HD2 LEU 54 2.491 3.101 -2.914 590 3HD2 LEU 54 1HD2 LEU 54 2.813 1.402 -2.689 591 QB LEU 54 QB LEU 54 -0.941 2.496 -3.031 592 QD1 LEU 54 QD1 LEU 54 0.341 0.143 -2.074 593 QD2 LEU 54 QD2 LEU 54 2.392 2.140 -3.236 594 QQD LEU 54 QQD LEU 54 1.367 1.141 -2.655 595 H SER 55 H SER 55 -1.793 6.216 -2.076 596 HA SER 55 HA SER 55 -2.656 6.741 -4.864 597 1HB SER 55 1HB SER 55 -4.990 6.939 -4.203 598 2HB SER 55 2HB SER 55 -4.334 5.309 -4.040 599 HG SER 55 HG SER 55 -4.009 5.915 -1.714 600 QB SER 55 QB SER 55 -4.662 6.124 -4.121 601 H ASP 56 H ASP 56 -1.469 8.227 -1.946 602 HA ASP 56 HA ASP 56 -2.430 10.868 -2.787 603 1HB ASP 56 1HB ASP 56 -2.061 10.648 -0.419 604 2HB ASP 56 2HB ASP 56 -0.402 10.062 -0.677 605 QB ASP 56 QB ASP 56 -1.232 10.355 -0.548 606 HA PRO 57 HA PRO 57 0.785 10.346 -5.801 607 1HB PRO 57 1HB PRO 57 0.526 12.641 -7.301 608 2HB PRO 57 2HB PRO 57 -0.606 11.257 -7.387 609 1HG PRO 57 1HG PRO 57 -0.891 13.787 -5.742 610 2HG PRO 57 2HG PRO 57 -2.101 13.035 -6.829 611 1HD PRO 57 1HD PRO 57 -2.157 12.596 -4.160 612 2HD PRO 57 2HD PRO 57 -2.510 11.272 -5.310 613 QB PRO 57 QB PRO 57 -0.040 11.949 -7.344 614 QG PRO 57 QG PRO 57 -1.496 13.411 -6.285 615 QD PRO 57 QD PRO 57 -2.334 11.934 -4.735 616 H ARG 58 H ARG 58 0.838 12.838 -3.341 617 HA ARG 58 HA ARG 58 3.546 13.717 -4.203 618 1HB ARG 58 1HB ARG 58 1.522 14.796 -2.281 619 2HB ARG 58 2HB ARG 58 3.226 14.970 -1.849 620 1HG ARG 58 1HG ARG 58 2.665 16.935 -3.070 621 2HG ARG 58 2HG ARG 58 3.705 15.949 -4.090 622 1HD ARG 58 1HD ARG 58 1.435 15.048 -5.101 623 2HD ARG 58 2HD ARG 58 0.723 16.469 -4.343 624 HE ARG 58 HE ARG 58 2.386 16.291 -6.693 625 1HH1 ARG 58 2HH2 ARG 58 1.495 18.593 -4.073 626 2HH1 ARG 58 1HH2 ARG 58 1.661 19.962 -5.133 627 1HH2 ARG 58 2HH1 ARG 58 2.705 18.120 -7.933 628 2HH2 ARG 58 1HH1 ARG 58 2.360 19.721 -7.319 629 QB ARG 58 QB ARG 58 2.374 14.883 -2.065 630 QG ARG 58 QG ARG 58 3.185 16.442 -3.580 631 QD ARG 58 QD ARG 58 1.079 15.759 -4.722 632 QH1 ARG 58 QH2 ARG 58 1.578 19.277 -4.603 633 QH2 ARG 58 QH1 ARG 58 2.533 18.920 -7.626 634 H LYS 59 H LYS 59 2.058 11.768 -1.518 635 HA LYS 59 HA LYS 59 4.657 11.400 -0.356 636 1HB LYS 59 1HB LYS 59 2.199 10.807 0.505 637 2HB LYS 59 2HB LYS 59 2.587 9.214 -0.117 638 1HG LYS 59 1HG LYS 59 4.073 10.811 2.017 639 2HG LYS 59 2HG LYS 59 3.045 9.428 2.279 640 1HD LYS 59 1HD LYS 59 4.903 8.183 2.298 641 2HD LYS 59 2HD LYS 59 4.956 8.372 0.565 642 1HE LYS 59 1HE LYS 59 7.102 9.023 1.247 643 2HE LYS 59 2HE LYS 59 6.290 10.567 1.032 644 1HZ LYS 59 1HZ LYS 59 6.650 9.156 3.622 645 2HZ LYS 59 2HZ LYS 59 7.555 10.444 3.124 646 3HZ LYS 59 3HZ LYS 59 5.940 10.600 3.461 647 QB LYS 59 QB LYS 59 2.393 10.010 0.194 648 QG LYS 59 QG LYS 59 3.559 10.119 2.148 649 QD LYS 59 QD LYS 59 4.929 8.278 1.431 650 QE LYS 59 QE LYS 59 6.696 9.795 1.139 651 QZ LYS 59 QZ LYS 59 6.715 10.067 3.403 652 H ARG 60 H ARG 60 2.746 9.576 -2.824 653 HA ARG 60 HA ARG 60 4.938 7.747 -3.259 654 1HB ARG 60 1HB ARG 60 2.250 7.979 -4.239 655 2HB ARG 60 2HB ARG 60 3.327 7.953 -5.643 656 1HG ARG 60 1HG ARG 60 4.461 5.930 -4.808 657 2HG ARG 60 2HG ARG 60 3.509 5.999 -3.318 658 1HD ARG 60 1HD ARG 60 2.457 4.399 -4.578 659 2HD ARG 60 2HD ARG 60 1.437 5.844 -4.717 660 HE ARG 60 HE ARG 60 3.501 5.271 -6.791 661 1HH1 ARG 60 2HH2 ARG 60 -0.085 5.233 -6.166 662 2HH1 ARG 60 1HH2 ARG 60 -0.422 5.299 -7.860 663 1HH2 ARG 60 2HH1 ARG 60 2.905 5.321 -8.961 664 2HH2 ARG 60 1HH1 ARG 60 1.227 5.425 -9.418 665 QB ARG 60 QB ARG 60 2.788 7.966 -4.941 666 QG ARG 60 QG ARG 60 3.985 5.965 -4.063 667 QD ARG 60 QD ARG 60 1.947 5.121 -4.648 668 QH1 ARG 60 QH2 ARG 60 -0.253 5.266 -7.013 669 QH2 ARG 60 QH1 ARG 60 2.066 5.373 -9.189 670 H GLU 61 H GLU 61 4.488 11.100 -4.386 671 HA GLU 61 HA GLU 61 6.244 10.836 -6.611 672 1HB GLU 61 1HB GLU 61 4.908 12.882 -6.037 673 2HB GLU 61 2HB GLU 61 6.041 13.273 -4.773 674 1HG GLU 61 1HG GLU 61 6.850 12.862 -7.694 675 2HG GLU 61 2HG GLU 61 6.233 14.394 -7.088 676 QB GLU 61 QB GLU 61 5.475 13.077 -5.405 677 QG GLU 61 QG GLU 61 6.541 13.628 -7.391 678 H ILE 62 H ILE 62 6.882 11.320 -3.118 679 HA ILE 62 HA ILE 62 9.691 11.575 -3.439 680 HB ILE 62 HB ILE 62 8.119 10.560 -1.026 681 1HG1 ILE 62 1HG1 ILE 62 9.064 13.398 -1.655 682 2HG1 ILE 62 2HG1 ILE 62 7.413 12.833 -1.866 683 1HG2 ILE 62 3HG2 ILE 62 10.550 10.052 -0.812 684 2HG2 ILE 62 1HG2 ILE 62 10.922 11.765 -1.125 685 3HG2 ILE 62 2HG2 ILE 62 10.057 11.266 0.345 686 1HD1 ILE 62 1HD1 ILE 62 7.300 12.275 0.573 687 2HD1 ILE 62 2HD1 ILE 62 8.880 13.061 0.782 688 3HD1 ILE 62 3HD1 ILE 62 7.495 13.999 0.211 689 QG1 ILE 62 QG1 ILE 62 8.239 13.116 -1.761 690 QG2 ILE 62 QG2 ILE 62 10.510 11.028 -0.531 691 QD1 ILE 62 QD1 ILE 62 7.892 13.111 0.522 692 H PHE 63 H PHE 63 7.621 8.708 -3.063 693 HA PHE 63 HA PHE 63 9.854 6.846 -2.777 694 1HB PHE 63 1HB PHE 63 7.279 6.648 -2.091 695 2HB PHE 63 2HB PHE 63 7.004 6.195 -3.746 696 HD1 PHE 63 2HD PHE 63 9.009 4.108 -4.392 697 HD2 PHE 63 1HD PHE 63 6.868 4.890 -0.727 698 HE1 PHE 63 2HE PHE 63 9.204 1.730 -3.745 699 HE2 PHE 63 1HE PHE 63 7.099 2.524 -0.107 700 1HZ PHE 63 HZ PHE 63 8.234 0.916 -1.551 701 QB PHE 63 QB PHE 63 7.142 6.422 -2.919 702 QG PHE 63 QD PHE 63 7.939 4.499 -2.560 703 QZ PHE 63 QE PHE 63 8.151 2.127 -1.926 704 QZ PHE 63 QR PHE 63 8.083 2.833 -2.105 705 H ASP 64 H ASP 64 7.838 8.083 -5.546 706 HA ASP 64 HA ASP 64 9.122 6.284 -7.414 707 1HB ASP 64 1HB ASP 64 6.794 7.540 -7.502 708 2HB ASP 64 2HB ASP 64 7.741 8.825 -8.241 709 QB ASP 64 QB ASP 64 7.268 8.183 -7.871 710 H ARG 65 H ARG 65 9.753 9.500 -6.197 711 HA ARG 65 HA ARG 65 11.747 10.410 -8.024 712 1HB ARG 65 1HB ARG 65 10.696 12.038 -6.687 713 2HB ARG 65 2HB ARG 65 10.885 11.048 -5.247 714 1HG ARG 65 1HG ARG 65 13.357 11.540 -5.245 715 2HG ARG 65 2HG ARG 65 13.034 12.744 -6.485 716 1HD ARG 65 1HD ARG 65 11.740 12.624 -3.714 717 2HD ARG 65 2HD ARG 65 13.083 13.666 -4.186 718 HE ARG 65 HE ARG 65 10.334 13.818 -5.403 719 1HH1 ARG 65 2HH2 ARG 65 12.557 15.568 -3.506 720 2HH1 ARG 65 1HH2 ARG 65 12.455 17.089 -4.356 721 1HH2 ARG 65 2HH1 ARG 65 10.012 15.625 -6.556 722 2HH2 ARG 65 1HH1 ARG 65 10.861 17.136 -6.227 723 QB ARG 65 QB ARG 65 10.790 11.543 -5.967 724 QG ARG 65 QG ARG 65 13.195 12.142 -5.865 725 QD ARG 65 QD ARG 65 12.412 13.145 -3.950 726 QH1 ARG 65 QH2 ARG 65 12.506 16.328 -3.931 727 QH2 ARG 65 QH1 ARG 65 10.436 16.380 -6.391 728 H TYR 66 H TYR 66 12.044 9.125 -4.667 729 HA TYR 66 HA TYR 66 14.861 8.393 -5.245 730 1HB TYR 66 1HB TYR 66 13.456 8.299 -2.533 731 2HB TYR 66 2HB TYR 66 15.177 8.187 -2.941 732 HD1 TYR 66 1HD TYR 66 16.037 10.372 -4.423 733 HD2 TYR 66 2HD TYR 66 12.896 10.262 -1.458 734 HE1 TYR 66 1HE TYR 66 16.415 12.761 -3.936 735 HE2 TYR 66 2HE TYR 66 13.287 12.648 -0.952 736 HH TYR 66 HH TYR 66 15.479 14.709 -2.774 737 QB TYR 66 QB TYR 66 14.316 8.243 -2.737 738 QG TYR 66 QD TYR 66 14.467 10.317 -2.940 739 QZ TYR 66 QE TYR 66 14.851 12.704 -2.444 740 QR TYR 66 QR TYR 66 14.659 11.511 -2.692 741 H GLY 67 H GLY 67 12.700 6.760 -2.988 742 1HA GLY 67 1HA GLY 67 11.548 4.745 -3.142 743 2HA GLY 67 2HA GLY 67 12.005 4.699 -4.851 744 QA GLY 67 QA GLY 67 11.777 4.722 -3.997 745 H GLU 68 H GLU 68 12.682 3.554 -1.799 746 HA GLU 68 HA GLU 68 13.954 2.001 -0.908 747 1HB GLU 68 1HB GLU 68 14.458 0.827 -3.036 748 2HB GLU 68 2HB GLU 68 15.673 2.061 -3.367 749 1HG GLU 68 1HG GLU 68 16.663 -0.048 -2.524 750 2HG GLU 68 2HG GLU 68 17.045 1.346 -1.505 751 QB GLU 68 QB GLU 68 15.066 1.444 -3.202 752 QG GLU 68 QG GLU 68 16.854 0.649 -2.014 753 H GLU 69 H GLU 69 15.754 2.398 0.451 754 HA GLU 69 HA GLU 69 16.272 3.669 2.046 755 1HB GLU 69 1HB GLU 69 18.328 4.801 1.560 756 2HB GLU 69 2HB GLU 69 18.218 3.131 1.085 757 1HG GLU 69 1HG GLU 69 17.859 3.974 -1.332 758 2HG GLU 69 2HG GLU 69 18.374 5.555 -0.730 759 QB GLU 69 QB GLU 69 18.273 3.966 1.323 760 QG GLU 69 QG GLU 69 18.116 4.764 -1.031 761 H GLY 70 H GLY 70 16.280 6.028 -0.477 762 1HA GLY 70 1HA GLY 70 15.697 8.539 0.124 763 2HA GLY 70 2HA GLY 70 14.842 7.587 -1.025 764 QA GLY 70 QA GLY 70 15.270 8.063 -0.450 765 H LEU 71 H LEU 71 13.160 6.002 0.364 766 HA LEU 71 HA LEU 71 11.006 7.899 0.676 767 1HB LEU 71 1HB LEU 71 10.785 5.556 -0.147 768 2HB LEU 71 2HB LEU 71 11.203 4.932 1.439 769 HG LEU 71 HG LEU 71 8.805 4.857 0.755 770 1HD1 LEU 71 3HD1 LEU 71 9.460 4.632 3.131 771 2HD1 LEU 71 1HD1 LEU 71 9.108 6.361 3.362 772 3HD1 LEU 71 2HD1 LEU 71 7.830 5.268 2.859 773 1HD2 LEU 71 1HD2 LEU 71 8.708 7.135 -0.281 774 2HD2 LEU 71 2HD2 LEU 71 7.390 6.804 0.861 775 3HD2 LEU 71 3HD2 LEU 71 8.754 7.832 1.350 776 QB LEU 71 QB LEU 71 10.994 5.244 0.646 777 QD1 LEU 71 QD1 LEU 71 8.799 5.420 3.117 778 QD2 LEU 71 QD2 LEU 71 8.284 7.257 0.643 779 QQD LEU 71 QQD LEU 71 8.542 6.339 1.880 780 H LYS 72 H LYS 72 13.118 6.222 3.010 781 HA LYS 72 HA LYS 72 12.357 8.170 5.020 782 1HB LYS 72 1HB LYS 72 10.799 6.028 5.184 783 2HB LYS 72 2HB LYS 72 12.184 5.280 5.954 784 1HG LYS 72 1HG LYS 72 10.831 7.883 6.781 785 2HG LYS 72 2HG LYS 72 10.533 6.309 7.521 786 1HD LYS 72 1HD LYS 72 12.869 6.178 8.256 787 2HD LYS 72 2HD LYS 72 13.216 7.776 7.574 788 1HE LYS 72 1HE LYS 72 11.147 7.211 9.739 789 2HE LYS 72 2HE LYS 72 12.793 7.771 10.036 790 1HZ LYS 72 1HZ LYS 72 10.798 9.306 8.478 791 2HZ LYS 72 2HZ LYS 72 11.174 9.542 10.057 792 3HZ LYS 72 3HZ LYS 72 12.321 9.798 8.924 793 QB LYS 72 QB LYS 72 11.492 5.654 5.569 794 QG LYS 72 QG LYS 72 10.682 7.096 7.151 795 QD LYS 72 QD LYS 72 13.042 6.977 7.915 796 QE LYS 72 QE LYS 72 11.970 7.491 9.888 797 QZ LYS 72 QZ LYS 72 11.431 9.549 9.153 798 H GLY 73 H GLY 73 14.505 8.715 4.165 799 1HA GLY 73 1HA GLY 73 16.629 7.013 3.826 800 2HA GLY 73 2HA GLY 73 16.788 8.739 4.154 801 QA GLY 73 QA GLY 73 16.708 7.876 3.990 802 H SER 74 H SER 74 15.649 8.496 6.907 803 HA SER 74 HA SER 74 16.538 8.454 9.002 804 1HB SER 74 1HB SER 74 17.068 5.591 8.130 805 2HB SER 74 2HB SER 74 17.213 6.182 9.792 806 HG SER 74 HG SER 74 15.208 6.030 10.011 807 QB SER 74 QB SER 74 17.141 5.887 8.961 808 H GLY 75 H GLY 75 18.305 9.647 7.161 809 1HA GLY 75 1HA GLY 75 20.561 10.350 8.224 810 2HA GLY 75 2HA GLY 75 21.012 8.676 7.805 811 QA GLY 75 QA GLY 75 20.787 9.513 8.015 812 H CYS 76 H CYS 76 22.548 9.897 6.492 813 HA CYS 76 HA CYS 76 23.410 10.579 4.512 814 1HB CYS 76 1HB CYS 76 20.811 9.830 3.138 815 2HB CYS 76 2HB CYS 76 22.421 9.954 2.429 816 HG CYS 76 HG CYS 76 21.526 7.421 2.605 817 QB CYS 76 QB CYS 76 21.616 9.892 2.784 No H/Q in entry = 817
Contact the webmaster for help, if required. Friday, July 5, 2024 12:35:33 AM GMT (wattos1)