NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
542757 | 2lse | 18429 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -7.391 -18.269 7.225 2 H2 MET 1 H2 MET 1 -7.307 -19.782 7.975 3 H3 MET 1 H3 MET 1 -6.210 -19.383 6.749 4 HA MET 1 HA MET 1 -5.179 -17.724 8.077 5 HB2 MET 1 HB2 MET 1 -7.478 -18.331 9.958 6 HB3 MET 1 HB3 MET 1 -5.990 -17.632 10.594 7 HG2 MET 1 HG2 MET 1 -7.820 -15.974 10.039 8 HG3 MET 1 HG3 MET 1 -6.249 -15.646 9.313 9 HE1 MET 1 HE1 MET 1 -8.730 -14.094 8.202 10 HE2 MET 1 HE2 MET 1 -8.512 -14.304 6.467 11 HE3 MET 1 HE3 MET 1 -7.111 -13.999 7.494 12 H GLN 2 H GLN 2 -5.167 -20.705 7.530 13 HA GLN 2 HA GLN 2 -3.363 -21.593 9.730 14 HB2 GLN 2 HB2 GLN 2 -5.133 -23.291 7.906 15 HB3 GLN 2 HB3 GLN 2 -3.985 -23.933 9.072 16 HG2 GLN 2 HG2 GLN 2 -6.127 -24.130 10.066 17 HG3 GLN 2 HG3 GLN 2 -5.326 -22.797 10.891 18 HE21 GLN 2 HE21 GLN 2 -7.300 -21.928 11.579 19 HE22 GLN 2 HE22 GLN 2 -8.401 -21.151 10.499 20 H GLU 3 H GLU 3 -2.829 -20.077 7.144 21 HA GLU 3 HA GLU 3 -0.820 -21.790 5.866 22 HB2 GLU 3 HB2 GLU 3 -1.776 -21.585 3.625 23 HB3 GLU 3 HB3 GLU 3 -2.959 -22.320 4.689 24 HG2 GLU 3 HG2 GLU 3 -2.972 -19.462 3.671 25 HG3 GLU 3 HG3 GLU 3 -4.022 -20.764 3.135 26 H GLU 4 H GLU 4 -0.708 -19.371 7.460 27 HA GLU 4 HA GLU 4 0.655 -17.582 7.664 28 HB2 GLU 4 HB2 GLU 4 2.203 -18.930 6.227 29 HB3 GLU 4 HB3 GLU 4 1.540 -18.144 4.805 30 HG2 GLU 4 HG2 GLU 4 2.410 -15.952 5.698 31 HG3 GLU 4 HG3 GLU 4 3.166 -16.848 7.014 32 H ARG 5 H ARG 5 -2.095 -17.488 5.983 33 HA ARG 5 HA ARG 5 -2.059 -15.209 4.342 34 HB2 ARG 5 HB2 ARG 5 -3.921 -16.862 4.441 35 HB3 ARG 5 HB3 ARG 5 -4.406 -16.211 5.999 36 HG2 ARG 5 HG2 ARG 5 -4.967 -14.055 4.943 37 HG3 ARG 5 HG3 ARG 5 -4.425 -14.666 3.378 38 HD2 ARG 5 HD2 ARG 5 -6.188 -16.452 3.531 39 HD3 ARG 5 HD3 ARG 5 -6.772 -15.695 5.016 40 HE ARG 5 HE ARG 5 -6.908 -13.648 3.295 41 HH11 ARG 5 HH11 ARG 5 -8.054 -16.900 2.978 42 HH12 ARG 5 HH12 ARG 5 -9.328 -16.452 1.898 43 HH21 ARG 5 HH21 ARG 5 -8.577 -13.120 1.899 44 HH22 ARG 5 HH22 ARG 5 -9.602 -14.372 1.290 45 H LYS 6 H LYS 6 -2.779 -15.400 7.872 46 HA LYS 6 HA LYS 6 -3.284 -12.648 8.257 47 HB2 LYS 6 HB2 LYS 6 -2.551 -14.855 10.145 48 HB3 LYS 6 HB3 LYS 6 -2.449 -13.196 10.719 49 HG2 LYS 6 HG2 LYS 6 -4.865 -12.897 9.987 50 HG3 LYS 6 HG3 LYS 6 -4.914 -14.639 9.698 51 HD2 LYS 6 HD2 LYS 6 -5.841 -14.032 11.926 52 HD3 LYS 6 HD3 LYS 6 -4.431 -15.087 12.063 53 HE2 LYS 6 HE2 LYS 6 -4.342 -13.282 13.738 54 HE3 LYS 6 HE3 LYS 6 -3.016 -13.129 12.584 55 HZ1 LYS 6 HZ1 LYS 6 -4.197 -11.023 13.183 56 HZ2 LYS 6 HZ2 LYS 6 -5.539 -11.596 12.325 57 HZ3 LYS 6 HZ3 LYS 6 -4.071 -11.333 11.527 58 H LYS 7 H LYS 7 -0.189 -14.431 8.389 59 HA LYS 7 HA LYS 7 1.395 -12.247 9.281 60 HB2 LYS 7 HB2 LYS 7 2.171 -14.579 9.414 61 HB3 LYS 7 HB3 LYS 7 2.196 -14.694 7.660 62 HG2 LYS 7 HG2 LYS 7 4.455 -14.414 8.547 63 HG3 LYS 7 HG3 LYS 7 4.000 -13.029 7.556 64 HD2 LYS 7 HD2 LYS 7 3.537 -11.708 9.596 65 HD3 LYS 7 HD3 LYS 7 3.951 -13.101 10.601 66 HE2 LYS 7 HE2 LYS 7 5.845 -11.645 8.724 67 HE3 LYS 7 HE3 LYS 7 5.807 -11.479 10.479 68 HZ1 LYS 7 HZ1 LYS 7 7.552 -12.975 9.748 69 HZ2 LYS 7 HZ2 LYS 7 6.421 -13.984 9.003 70 HZ3 LYS 7 HZ3 LYS 7 6.411 -13.802 10.683 71 H LEU 8 H LEU 8 0.446 -13.336 6.066 72 HA LEU 8 HA LEU 8 2.050 -11.626 4.491 73 HB2 LEU 8 HB2 LEU 8 0.869 -13.655 3.661 74 HB3 LEU 8 HB3 LEU 8 -0.673 -12.841 3.866 75 HG LEU 8 HG LEU 8 -0.049 -11.203 2.095 76 HD11 LEU 8 HD11 LEU 8 1.956 -11.564 0.699 77 HD12 LEU 8 HD12 LEU 8 2.489 -12.843 1.793 78 HD13 LEU 8 HD13 LEU 8 2.380 -11.177 2.365 79 HD21 LEU 8 HD21 LEU 8 -0.188 -12.731 0.165 80 HD22 LEU 8 HD22 LEU 8 -1.291 -13.221 1.447 81 HD23 LEU 8 HD23 LEU 8 0.222 -14.099 1.206 82 H LEU 9 H LEU 9 -1.327 -11.262 5.641 83 HA LEU 9 HA LEU 9 -1.643 -8.598 4.591 84 HB2 LEU 9 HB2 LEU 9 -3.855 -8.612 5.600 85 HB3 LEU 9 HB3 LEU 9 -3.557 -10.102 4.740 86 HG LEU 9 HG LEU 9 -2.967 -11.047 7.153 87 HD11 LEU 9 HD11 LEU 9 -3.118 -8.915 8.357 88 HD12 LEU 9 HD12 LEU 9 -4.275 -10.092 8.969 89 HD13 LEU 9 HD13 LEU 9 -4.824 -8.781 7.917 90 HD21 LEU 9 HD21 LEU 9 -5.835 -10.585 6.286 91 HD22 LEU 9 HD22 LEU 9 -5.290 -11.791 7.454 92 HD23 LEU 9 HD23 LEU 9 -4.786 -11.910 5.770 93 H GLU 10 H GLU 10 -0.500 -9.892 7.628 94 HA GLU 10 HA GLU 10 -0.815 -7.589 9.278 95 HB2 GLU 10 HB2 GLU 10 0.084 -10.201 9.687 96 HB3 GLU 10 HB3 GLU 10 1.570 -9.298 9.864 97 HG2 GLU 10 HG2 GLU 10 0.580 -9.651 12.016 98 HG3 GLU 10 HG3 GLU 10 0.506 -7.935 11.631 99 H LYS 11 H LYS 11 1.884 -8.845 7.359 100 HA LYS 11 HA LYS 11 3.683 -6.678 7.618 101 HB2 LYS 11 HB2 LYS 11 4.291 -8.982 6.826 102 HB3 LYS 11 HB3 LYS 11 3.409 -8.685 5.334 103 HG2 LYS 11 HG2 LYS 11 5.782 -8.432 4.936 104 HG3 LYS 11 HG3 LYS 11 4.995 -6.856 4.769 105 HD2 LYS 11 HD2 LYS 11 5.846 -6.123 6.916 106 HD3 LYS 11 HD3 LYS 11 6.388 -7.751 7.332 107 HE2 LYS 11 HE2 LYS 11 8.302 -6.356 6.709 108 HE3 LYS 11 HE3 LYS 11 8.080 -7.646 5.528 109 HZ1 LYS 11 HZ1 LYS 11 8.558 -5.572 4.443 110 HZ2 LYS 11 HZ2 LYS 11 7.260 -4.814 5.212 111 HZ3 LYS 11 HZ3 LYS 11 6.975 -6.037 4.080 112 H LEU 12 H LEU 12 1.020 -7.336 5.354 113 HA LEU 12 HA LEU 12 1.545 -5.273 3.480 114 HB2 LEU 12 HB2 LEU 12 0.105 -7.342 3.167 115 HB3 LEU 12 HB3 LEU 12 -1.148 -6.552 4.097 116 HG LEU 12 HG LEU 12 -1.369 -6.572 1.518 117 HD11 LEU 12 HD11 LEU 12 -2.392 -4.354 1.383 118 HD12 LEU 12 HD12 LEU 12 -1.623 -3.892 2.904 119 HD13 LEU 12 HD13 LEU 12 -2.830 -5.180 2.877 120 HD21 LEU 12 HD21 LEU 12 0.972 -5.954 1.011 121 HD22 LEU 12 HD22 LEU 12 0.688 -4.344 1.677 122 HD23 LEU 12 HD23 LEU 12 -0.190 -4.876 0.240 123 H GLU 13 H GLU 13 -0.758 -5.350 6.239 124 HA GLU 13 HA GLU 13 -1.578 -2.643 6.143 125 HB2 GLU 13 HB2 GLU 13 -1.475 -4.563 8.504 126 HB3 GLU 13 HB3 GLU 13 -2.241 -2.978 8.559 127 HG2 GLU 13 HG2 GLU 13 -3.826 -3.702 6.778 128 HG3 GLU 13 HG3 GLU 13 -3.082 -5.300 6.793 129 H LYS 14 H LYS 14 1.238 -4.182 7.606 130 HA LYS 14 HA LYS 14 2.255 -1.972 9.087 131 HB2 LYS 14 HB2 LYS 14 2.956 -4.602 8.892 132 HB3 LYS 14 HB3 LYS 14 4.192 -3.933 7.852 133 HG2 LYS 14 HG2 LYS 14 3.771 -2.996 10.709 134 HG3 LYS 14 HG3 LYS 14 4.788 -4.369 10.309 135 HD2 LYS 14 HD2 LYS 14 6.431 -2.763 10.374 136 HD3 LYS 14 HD3 LYS 14 5.958 -2.546 8.693 137 HE2 LYS 14 HE2 LYS 14 6.182 -0.378 9.742 138 HE3 LYS 14 HE3 LYS 14 4.474 -0.662 9.412 139 HZ1 LYS 14 HZ1 LYS 14 4.772 0.293 11.567 140 HZ2 LYS 14 HZ2 LYS 14 5.834 -0.943 12.028 141 HZ3 LYS 14 HZ3 LYS 14 4.204 -1.291 11.742 142 H ILE 15 H ILE 15 2.636 -2.957 5.661 143 HA ILE 15 HA ILE 15 4.465 -0.894 4.909 144 HB ILE 15 HB ILE 15 2.427 -2.240 3.069 145 HG12 ILE 15 HG12 ILE 15 3.739 -4.015 4.039 146 HG13 ILE 15 HG13 ILE 15 4.370 -3.756 2.422 147 HG21 ILE 15 HG21 ILE 15 4.012 -1.641 1.245 148 HG22 ILE 15 HG22 ILE 15 5.017 -0.779 2.409 149 HG23 ILE 15 HG23 ILE 15 3.379 -0.219 2.072 150 HD11 ILE 15 HD11 ILE 15 6.229 -2.444 3.429 151 HD12 ILE 15 HD12 ILE 15 6.179 -4.131 3.935 152 HD13 ILE 15 HD13 ILE 15 5.606 -2.871 5.025 153 H LEU 16 H LEU 16 0.900 -1.142 4.607 154 HA LEU 16 HA LEU 16 0.306 1.402 3.602 155 HB2 LEU 16 HB2 LEU 16 -1.250 -0.612 5.220 156 HB3 LEU 16 HB3 LEU 16 -1.961 0.966 4.937 157 HG LEU 16 HG LEU 16 -1.996 0.609 2.531 158 HD11 LEU 16 HD11 LEU 16 -0.655 -2.072 2.981 159 HD12 LEU 16 HD12 LEU 16 0.083 -0.658 2.226 160 HD13 LEU 16 HD13 LEU 16 -1.277 -1.459 1.446 161 HD21 LEU 16 HD21 LEU 16 -3.896 -0.276 3.799 162 HD22 LEU 16 HD22 LEU 16 -3.078 -1.831 3.976 163 HD23 LEU 16 HD23 LEU 16 -3.575 -1.270 2.378 164 H ASP 17 H ASP 17 0.892 0.404 6.927 165 HA ASP 17 HA ASP 17 0.291 2.787 8.319 166 HB2 ASP 17 HB2 ASP 17 0.628 0.636 9.444 167 HB3 ASP 17 HB3 ASP 17 2.283 0.544 8.867 168 H GLU 18 H GLU 18 3.268 1.668 6.729 169 HA GLU 18 HA GLU 18 4.810 4.037 7.344 170 HB2 GLU 18 HB2 GLU 18 5.374 1.748 5.427 171 HB3 GLU 18 HB3 GLU 18 6.529 3.002 5.865 172 HG2 GLU 18 HG2 GLU 18 5.327 0.935 7.719 173 HG3 GLU 18 HG3 GLU 18 6.972 0.943 7.091 174 H VAL 19 H VAL 19 2.659 3.139 4.706 175 HA VAL 19 HA VAL 19 3.737 5.037 2.806 176 HB VAL 19 HB VAL 19 1.003 3.677 2.690 177 HG11 VAL 19 HG11 VAL 19 2.633 5.027 0.502 178 HG12 VAL 19 HG12 VAL 19 1.142 5.634 1.218 179 HG13 VAL 19 HG13 VAL 19 1.113 4.159 0.255 180 HG21 VAL 19 HG21 VAL 19 3.612 2.779 1.400 181 HG22 VAL 19 HG22 VAL 19 2.029 2.034 1.160 182 HG23 VAL 19 HG23 VAL 19 2.794 1.985 2.742 183 H THR 20 H THR 20 0.982 5.000 5.080 184 HA THR 20 HA THR 20 -0.056 7.593 4.445 185 HB THR 20 HB THR 20 -1.184 7.465 6.712 186 HG1 THR 20 HG1 THR 20 -0.766 5.799 8.058 187 HG21 THR 20 HG21 THR 20 -1.453 4.955 5.015 188 HG22 THR 20 HG22 THR 20 -2.300 6.481 4.747 189 HG23 THR 20 HG23 THR 20 -2.630 5.532 6.197 190 H ASP 21 H ASP 21 2.144 6.460 7.032 191 HA ASP 21 HA ASP 21 2.564 9.058 8.181 192 HB2 ASP 21 HB2 ASP 21 2.721 6.919 9.457 193 HB3 ASP 21 HB3 ASP 21 4.168 6.492 8.551 194 H GLY 22 H GLY 22 4.538 6.963 6.058 195 HA2 GLY 22 HA2 GLY 22 6.635 8.982 5.711 196 HA3 GLY 22 HA3 GLY 22 6.629 7.347 5.075 197 H ALA 23 H ALA 23 3.758 9.106 4.470 198 HA ALA 23 HA ALA 23 3.942 9.227 1.682 199 HB1 ALA 23 HB1 ALA 23 2.201 10.874 3.539 200 HB2 ALA 23 HB2 ALA 23 1.830 9.257 2.944 201 HB3 ALA 23 HB3 ALA 23 1.916 10.611 1.816 202 HA PRO 24 HA PRO 24 5.965 13.284 0.918 203 HB2 PRO 24 HB2 PRO 24 4.398 13.374 -1.615 204 HB3 PRO 24 HB3 PRO 24 6.150 13.373 -1.379 205 HG2 PRO 24 HG2 PRO 24 4.886 11.203 -2.352 206 HG3 PRO 24 HG3 PRO 24 6.268 11.039 -1.245 207 HD2 PRO 24 HD2 PRO 24 3.311 10.848 -0.618 208 HD3 PRO 24 HD3 PRO 24 4.639 9.770 -0.119 209 H ASP 25 H ASP 25 4.458 13.914 2.776 210 HA ASP 25 HA ASP 25 3.117 15.380 3.817 211 HB2 ASP 25 HB2 ASP 25 4.735 16.929 2.919 212 HB3 ASP 25 HB3 ASP 25 3.895 17.006 1.375 213 H GLU 26 H GLU 26 1.959 16.500 0.630 214 HA GLU 26 HA GLU 26 -0.750 16.649 1.559 215 HB2 GLU 26 HB2 GLU 26 -1.249 17.552 -0.677 216 HB3 GLU 26 HB3 GLU 26 0.184 18.310 0.010 217 HG2 GLU 26 HG2 GLU 26 1.636 16.895 -1.394 218 HG3 GLU 26 HG3 GLU 26 0.221 16.088 -2.063 219 H ALA 27 H ALA 27 1.046 14.276 -0.260 220 HA ALA 27 HA ALA 27 -1.087 12.922 -1.558 221 HB1 ALA 27 HB1 ALA 27 1.652 11.869 -0.774 222 HB2 ALA 27 HB2 ALA 27 1.260 12.718 -2.271 223 HB3 ALA 27 HB3 ALA 27 0.557 11.133 -1.945 224 H ARG 28 H ARG 28 -0.141 12.944 1.752 225 HA ARG 28 HA ARG 28 -0.601 10.350 2.635 226 HB2 ARG 28 HB2 ARG 28 0.483 11.933 4.080 227 HB3 ARG 28 HB3 ARG 28 -0.912 13.007 4.070 228 HG2 ARG 28 HG2 ARG 28 -2.221 11.355 5.326 229 HG3 ARG 28 HG3 ARG 28 -0.859 10.237 5.312 230 HD2 ARG 28 HD2 ARG 28 0.415 11.629 6.780 231 HD3 ARG 28 HD3 ARG 28 -0.701 12.989 6.576 232 HE ARG 28 HE ARG 28 -2.388 11.364 7.633 233 HH11 ARG 28 HH11 ARG 28 0.932 11.527 8.594 234 HH12 ARG 28 HH12 ARG 28 0.583 10.971 10.188 235 HH21 ARG 28 HH21 ARG 28 -2.787 10.659 9.638 236 HH22 ARG 28 HH22 ARG 28 -1.498 10.477 10.775 237 H GLU 29 H GLU 29 -3.039 13.019 2.545 238 HA GLU 29 HA GLU 29 -5.132 11.533 3.762 239 HB2 GLU 29 HB2 GLU 29 -5.328 13.984 1.965 240 HB3 GLU 29 HB3 GLU 29 -6.631 13.363 2.978 241 HG2 GLU 29 HG2 GLU 29 -5.178 13.745 4.991 242 HG3 GLU 29 HG3 GLU 29 -3.982 14.496 3.936 243 H ARG 30 H ARG 30 -4.206 11.902 0.392 244 HA ARG 30 HA ARG 30 -6.281 10.523 -0.936 245 HB2 ARG 30 HB2 ARG 30 -4.642 11.794 -2.175 246 HB3 ARG 30 HB3 ARG 30 -3.312 10.875 -1.495 247 HG2 ARG 30 HG2 ARG 30 -3.577 10.266 -3.797 248 HG3 ARG 30 HG3 ARG 30 -4.043 8.888 -2.804 249 HD2 ARG 30 HD2 ARG 30 -6.370 9.234 -3.274 250 HD3 ARG 30 HD3 ARG 30 -6.064 10.827 -3.981 251 HE ARG 30 HE ARG 30 -5.606 8.224 -5.229 252 HH11 ARG 30 HH11 ARG 30 -5.183 11.655 -5.469 253 HH12 ARG 30 HH12 ARG 30 -4.749 11.585 -7.136 254 HH21 ARG 30 HH21 ARG 30 -4.998 8.181 -7.372 255 HH22 ARG 30 HH22 ARG 30 -4.642 9.662 -8.195 256 H ILE 31 H ILE 31 -3.309 9.348 0.590 257 HA ILE 31 HA ILE 31 -3.578 6.576 -0.046 258 HB ILE 31 HB ILE 31 -1.941 7.995 2.104 259 HG12 ILE 31 HG12 ILE 31 -0.996 6.935 -0.599 260 HG13 ILE 31 HG13 ILE 31 -1.502 8.598 -0.345 261 HG21 ILE 31 HG21 ILE 31 -1.642 5.136 1.111 262 HG22 ILE 31 HG22 ILE 31 -2.195 5.628 2.711 263 HG23 ILE 31 HG23 ILE 31 -0.537 5.959 2.215 264 HD11 ILE 31 HD11 ILE 31 0.327 8.962 1.179 265 HD12 ILE 31 HD12 ILE 31 0.923 8.316 -0.350 266 HD13 ILE 31 HD13 ILE 31 0.804 7.267 1.062 267 H GLU 32 H GLU 32 -4.497 8.522 2.806 268 HA GLU 32 HA GLU 32 -4.862 6.429 4.651 269 HB2 GLU 32 HB2 GLU 32 -5.986 9.252 4.621 270 HB3 GLU 32 HB3 GLU 32 -6.193 8.150 5.982 271 HG2 GLU 32 HG2 GLU 32 -3.731 8.016 6.238 272 HG3 GLU 32 HG3 GLU 32 -3.536 9.141 4.897 273 H LYS 33 H LYS 33 -7.221 7.919 2.428 274 HA LYS 33 HA LYS 33 -9.537 6.587 3.370 275 HB2 LYS 33 HB2 LYS 33 -8.830 7.649 0.610 276 HB3 LYS 33 HB3 LYS 33 -10.396 6.925 0.966 277 HG2 LYS 33 HG2 LYS 33 -10.809 8.668 2.668 278 HG3 LYS 33 HG3 LYS 33 -9.246 9.392 2.292 279 HD2 LYS 33 HD2 LYS 33 -10.979 10.666 1.170 280 HD3 LYS 33 HD3 LYS 33 -10.029 9.818 -0.045 281 HE2 LYS 33 HE2 LYS 33 -12.694 8.787 0.983 282 HE3 LYS 33 HE3 LYS 33 -12.554 9.855 -0.408 283 HZ1 LYS 33 HZ1 LYS 33 -12.709 7.618 -1.168 284 HZ2 LYS 33 HZ2 LYS 33 -11.467 7.103 -0.154 285 HZ3 LYS 33 HZ3 LYS 33 -11.122 8.130 -1.451 286 H LEU 34 H LEU 34 -7.325 5.686 0.683 287 HA LEU 34 HA LEU 34 -8.731 3.313 -0.010 288 HB2 LEU 34 HB2 LEU 34 -7.217 4.626 -1.546 289 HB3 LEU 34 HB3 LEU 34 -5.838 3.977 -0.674 290 HG LEU 34 HG LEU 34 -6.485 1.666 -1.390 291 HD11 LEU 34 HD11 LEU 34 -8.205 1.336 -3.132 292 HD12 LEU 34 HD12 LEU 34 -8.668 3.035 -3.000 293 HD13 LEU 34 HD13 LEU 34 -8.901 1.945 -1.632 294 HD21 LEU 34 HD21 LEU 34 -4.861 2.915 -2.745 295 HD22 LEU 34 HD22 LEU 34 -6.168 3.615 -3.703 296 HD23 LEU 34 HD23 LEU 34 -5.856 1.879 -3.766 297 H ALA 35 H ALA 35 -5.891 3.880 2.026 298 HA ALA 35 HA ALA 35 -5.177 1.202 2.613 299 HB1 ALA 35 HB1 ALA 35 -4.748 3.692 4.305 300 HB2 ALA 35 HB2 ALA 35 -3.679 3.122 3.021 301 HB3 ALA 35 HB3 ALA 35 -3.893 2.158 4.482 302 H LYS 36 H LYS 36 -7.390 3.473 4.242 303 HA LYS 36 HA LYS 36 -8.252 1.831 6.387 304 HB2 LYS 36 HB2 LYS 36 -8.692 4.270 6.284 305 HB3 LYS 36 HB3 LYS 36 -9.741 4.036 4.893 306 HG2 LYS 36 HG2 LYS 36 -11.214 2.590 6.424 307 HG3 LYS 36 HG3 LYS 36 -10.256 3.216 7.769 308 HD2 LYS 36 HD2 LYS 36 -10.937 5.508 7.244 309 HD3 LYS 36 HD3 LYS 36 -11.761 4.965 5.782 310 HE2 LYS 36 HE2 LYS 36 -13.271 3.573 7.307 311 HE3 LYS 36 HE3 LYS 36 -12.566 4.460 8.660 312 HZ1 LYS 36 HZ1 LYS 36 -14.651 5.433 7.903 313 HZ2 LYS 36 HZ2 LYS 36 -13.998 5.683 6.362 314 HZ3 LYS 36 HZ3 LYS 36 -13.366 6.514 7.692 315 H ASP 37 H ASP 37 -9.501 2.250 3.056 316 HA ASP 37 HA ASP 37 -11.760 0.557 3.242 317 HB2 ASP 37 HB2 ASP 37 -10.119 1.317 0.790 318 HB3 ASP 37 HB3 ASP 37 -11.680 0.502 0.724 319 H VAL 38 H VAL 38 -8.377 -0.144 2.325 320 HA VAL 38 HA VAL 38 -8.635 -2.807 1.478 321 HB VAL 38 HB VAL 38 -6.266 -1.531 2.947 322 HG11 VAL 38 HG11 VAL 38 -6.095 -3.974 3.156 323 HG12 VAL 38 HG12 VAL 38 -4.862 -3.378 2.046 324 HG13 VAL 38 HG13 VAL 38 -6.311 -4.168 1.415 325 HG21 VAL 38 HG21 VAL 38 -6.649 -2.015 -0.036 326 HG22 VAL 38 HG22 VAL 38 -5.238 -1.277 0.728 327 HG23 VAL 38 HG23 VAL 38 -6.795 -0.459 0.775 328 H LYS 39 H LYS 39 -8.172 -1.504 4.772 329 HA LYS 39 HA LYS 39 -7.986 -3.835 6.290 330 HB2 LYS 39 HB2 LYS 39 -9.265 -1.160 6.958 331 HB3 LYS 39 HB3 LYS 39 -9.014 -2.426 8.156 332 HG2 LYS 39 HG2 LYS 39 -6.603 -2.287 7.880 333 HG3 LYS 39 HG3 LYS 39 -6.785 -1.126 6.560 334 HD2 LYS 39 HD2 LYS 39 -7.498 0.608 8.015 335 HD3 LYS 39 HD3 LYS 39 -7.894 -0.518 9.316 336 HE2 LYS 39 HE2 LYS 39 -5.078 0.071 8.344 337 HE3 LYS 39 HE3 LYS 39 -5.831 0.804 9.763 338 HZ1 LYS 39 HZ1 LYS 39 -5.267 -2.090 9.368 339 HZ2 LYS 39 HZ2 LYS 39 -6.108 -1.441 10.686 340 HZ3 LYS 39 HZ3 LYS 39 -4.483 -1.040 10.442 341 H ASP 40 H ASP 40 -10.990 -2.112 5.309 342 HA ASP 40 HA ASP 40 -12.859 -3.899 6.463 343 HB2 ASP 40 HB2 ASP 40 -13.124 -2.195 3.946 344 HB3 ASP 40 HB3 ASP 40 -14.471 -2.977 4.778 345 H GLU 41 H GLU 41 -11.546 -3.739 3.169 346 HA GLU 41 HA GLU 41 -12.954 -5.875 2.042 347 HB2 GLU 41 HB2 GLU 41 -10.313 -4.648 1.183 348 HB3 GLU 41 HB3 GLU 41 -11.291 -5.727 0.192 349 HG2 GLU 41 HG2 GLU 41 -12.180 -3.013 1.214 350 HG3 GLU 41 HG3 GLU 41 -11.587 -3.347 -0.408 351 H LEU 42 H LEU 42 -10.055 -5.979 4.014 352 HA LEU 42 HA LEU 42 -8.951 -8.431 3.427 353 HB2 LEU 42 HB2 LEU 42 -9.066 -6.762 5.872 354 HB3 LEU 42 HB3 LEU 42 -8.886 -8.463 6.235 355 HG LEU 42 HG LEU 42 -6.682 -7.675 6.207 356 HD11 LEU 42 HD11 LEU 42 -6.906 -9.718 4.884 357 HD12 LEU 42 HD12 LEU 42 -5.567 -8.724 4.319 358 HD13 LEU 42 HD13 LEU 42 -7.079 -8.759 3.412 359 HD21 LEU 42 HD21 LEU 42 -7.064 -5.453 5.279 360 HD22 LEU 42 HD22 LEU 42 -7.209 -6.134 3.658 361 HD23 LEU 42 HD23 LEU 42 -5.671 -6.223 4.521 362 H GLU 43 H GLU 43 -12.069 -7.904 4.976 363 HA GLU 43 HA GLU 43 -12.607 -10.814 4.805 364 HB2 GLU 43 HB2 GLU 43 -13.515 -9.000 7.080 365 HB3 GLU 43 HB3 GLU 43 -14.003 -10.679 6.867 366 HG2 GLU 43 HG2 GLU 43 -11.598 -11.355 7.088 367 HG3 GLU 43 HG3 GLU 43 -11.192 -9.677 7.430 368 H GLU 44 H GLU 44 -13.972 -7.544 4.767 369 HA GLU 44 HA GLU 44 -16.647 -8.103 4.116 370 HB2 GLU 44 HB2 GLU 44 -15.868 -5.906 4.951 371 HB3 GLU 44 HB3 GLU 44 -14.957 -5.651 3.473 372 HG2 GLU 44 HG2 GLU 44 -16.930 -4.290 3.407 373 HG3 GLU 44 HG3 GLU 44 -17.098 -5.562 2.199 374 H GLY 45 H GLY 45 -14.347 -6.638 1.763 375 HA2 GLY 45 HA2 GLY 45 -15.748 -8.061 -0.434 376 HA3 GLY 45 HA3 GLY 45 -14.958 -6.501 -0.568 377 H ASP 46 H ASP 46 -13.352 -6.784 -2.017 378 HA ASP 46 HA ASP 46 -11.868 -9.337 -2.128 379 HB2 ASP 46 HB2 ASP 46 -12.291 -7.100 -4.142 380 HB3 ASP 46 HB3 ASP 46 -11.123 -8.391 -4.407 381 H ALA 47 H ALA 47 -10.394 -9.035 -0.443 382 HA ALA 47 HA ALA 47 -8.709 -6.831 0.036 383 HB1 ALA 47 HB1 ALA 47 -8.166 -9.749 0.668 384 HB2 ALA 47 HB2 ALA 47 -9.133 -8.648 1.648 385 HB3 ALA 47 HB3 ALA 47 -7.408 -8.350 1.436 386 H LYS 48 H LYS 48 -8.005 -9.848 -1.768 387 HA LYS 48 HA LYS 48 -5.326 -9.384 -2.433 388 HB2 LYS 48 HB2 LYS 48 -6.329 -11.575 -2.709 389 HB3 LYS 48 HB3 LYS 48 -7.483 -10.977 -3.885 390 HG2 LYS 48 HG2 LYS 48 -4.546 -10.788 -4.542 391 HG3 LYS 48 HG3 LYS 48 -5.319 -12.369 -4.617 392 HD2 LYS 48 HD2 LYS 48 -6.857 -11.634 -6.322 393 HD3 LYS 48 HD3 LYS 48 -6.395 -9.946 -6.104 394 HE2 LYS 48 HE2 LYS 48 -4.117 -10.494 -6.959 395 HE3 LYS 48 HE3 LYS 48 -4.649 -12.153 -7.251 396 HZ1 LYS 48 HZ1 LYS 48 -5.944 -9.772 -8.462 397 HZ2 LYS 48 HZ2 LYS 48 -6.200 -11.393 -8.864 398 HZ3 LYS 48 HZ3 LYS 48 -4.723 -10.653 -9.221 399 H ASN 49 H ASN 49 -8.282 -8.443 -4.202 400 HA ASN 49 HA ASN 49 -6.998 -7.211 -6.415 401 HB2 ASN 49 HB2 ASN 49 -9.387 -7.921 -6.422 402 HB3 ASN 49 HB3 ASN 49 -9.770 -6.627 -5.291 403 HD21 ASN 49 HD21 ASN 49 -7.551 -6.365 -8.072 404 HD22 ASN 49 HD22 ASN 49 -8.522 -5.239 -8.946 405 H MET 50 H MET 50 -8.010 -5.973 -3.246 406 HA MET 50 HA MET 50 -7.453 -3.212 -3.707 407 HB2 MET 50 HB2 MET 50 -7.671 -4.809 -1.132 408 HB3 MET 50 HB3 MET 50 -7.505 -3.053 -1.183 409 HG2 MET 50 HG2 MET 50 -9.744 -4.550 -2.545 410 HG3 MET 50 HG3 MET 50 -9.850 -3.897 -0.916 411 HE1 MET 50 HE1 MET 50 -8.432 -1.145 -0.970 412 HE2 MET 50 HE2 MET 50 -10.025 -1.475 -0.288 413 HE3 MET 50 HE3 MET 50 -9.798 -0.107 -1.384 414 H ILE 51 H ILE 51 -5.387 -5.880 -2.666 415 HA ILE 51 HA ILE 51 -3.086 -4.361 -1.939 416 HB ILE 51 HB ILE 51 -3.240 -7.178 -3.120 417 HG12 ILE 51 HG12 ILE 51 -3.014 -6.326 -0.188 418 HG13 ILE 51 HG13 ILE 51 -4.512 -6.827 -0.962 419 HG21 ILE 51 HG21 ILE 51 -0.918 -5.865 -1.641 420 HG22 ILE 51 HG22 ILE 51 -0.958 -6.269 -3.358 421 HG23 ILE 51 HG23 ILE 51 -0.987 -7.554 -2.153 422 HD11 ILE 51 HD11 ILE 51 -3.559 -9.040 -1.359 423 HD12 ILE 51 HD12 ILE 51 -3.583 -8.610 0.351 424 HD13 ILE 51 HD13 ILE 51 -2.071 -8.535 -0.551 425 H GLU 52 H GLU 52 -4.149 -5.774 -5.056 426 HA GLU 52 HA GLU 52 -2.139 -4.732 -6.744 427 HB2 GLU 52 HB2 GLU 52 -5.074 -5.191 -7.433 428 HB3 GLU 52 HB3 GLU 52 -3.756 -5.036 -8.591 429 HG2 GLU 52 HG2 GLU 52 -2.767 -7.129 -7.758 430 HG3 GLU 52 HG3 GLU 52 -4.057 -7.273 -6.566 431 H LYS 53 H LYS 53 -5.271 -3.354 -5.728 432 HA LYS 53 HA LYS 53 -5.335 -1.070 -7.401 433 HB2 LYS 53 HB2 LYS 53 -6.605 -1.520 -4.658 434 HB3 LYS 53 HB3 LYS 53 -6.953 -0.118 -5.659 435 HG2 LYS 53 HG2 LYS 53 -7.504 -2.978 -6.483 436 HG3 LYS 53 HG3 LYS 53 -8.688 -1.911 -5.732 437 HD2 LYS 53 HD2 LYS 53 -8.434 -0.339 -7.663 438 HD3 LYS 53 HD3 LYS 53 -7.331 -1.492 -8.423 439 HE2 LYS 53 HE2 LYS 53 -9.124 -3.164 -8.547 440 HE3 LYS 53 HE3 LYS 53 -10.226 -2.079 -7.696 441 HZ1 LYS 53 HZ1 LYS 53 -10.604 -2.060 -10.083 442 HZ2 LYS 53 HZ2 LYS 53 -9.012 -1.554 -10.357 443 HZ3 LYS 53 HZ3 LYS 53 -10.093 -0.541 -9.541 444 H PHE 54 H PHE 54 -4.175 -1.499 -4.097 445 HA PHE 54 HA PHE 54 -3.448 1.229 -3.667 446 HB2 PHE 54 HB2 PHE 54 -4.139 -0.374 -1.846 447 HB3 PHE 54 HB3 PHE 54 -2.617 -1.230 -2.073 448 HD1 PHE 54 HD2 PHE 54 -4.153 1.935 -0.910 449 HD2 PHE 54 HD1 PHE 54 -0.533 -0.315 -1.229 450 HE1 PHE 54 HE2 PHE 54 -3.018 3.540 0.563 451 HE2 PHE 54 HE1 PHE 54 0.594 1.301 0.222 452 HZ PHE 54 HZ PHE 54 -0.631 3.231 1.097 453 H ARG 55 H ARG 55 -1.688 -1.676 -4.662 454 HA ARG 55 HA ARG 55 0.973 -0.714 -4.542 455 HB2 ARG 55 HB2 ARG 55 0.514 -3.070 -4.670 456 HB3 ARG 55 HB3 ARG 55 -0.410 -2.898 -6.139 457 HG2 ARG 55 HG2 ARG 55 2.500 -2.199 -6.315 458 HG3 ARG 55 HG3 ARG 55 2.105 -3.899 -6.061 459 HD2 ARG 55 HD2 ARG 55 0.465 -3.617 -8.046 460 HD3 ARG 55 HD3 ARG 55 1.342 -2.123 -8.385 461 HE ARG 55 HE ARG 55 3.229 -4.169 -8.150 462 HH11 ARG 55 HH11 ARG 55 0.665 -3.266 -10.294 463 HH12 ARG 55 HH12 ARG 55 1.348 -4.129 -11.621 464 HH21 ARG 55 HH21 ARG 55 4.078 -5.238 -9.868 465 HH22 ARG 55 HH22 ARG 55 3.270 -5.217 -11.393 466 H ASP 56 H ASP 56 -1.357 -0.793 -7.247 467 HA ASP 56 HA ASP 56 0.344 0.585 -9.120 468 HB2 ASP 56 HB2 ASP 56 -2.575 -0.259 -9.134 469 HB3 ASP 56 HB3 ASP 56 -1.872 0.639 -10.473 470 H GLU 57 H GLU 57 -2.156 1.610 -6.842 471 HA GLU 57 HA GLU 57 -2.449 4.321 -7.694 472 HB2 GLU 57 HB2 GLU 57 -4.095 3.306 -6.179 473 HB3 GLU 57 HB3 GLU 57 -2.862 3.035 -4.957 474 HG2 GLU 57 HG2 GLU 57 -4.219 4.894 -4.265 475 HG3 GLU 57 HG3 GLU 57 -2.627 5.506 -4.693 476 H MET 58 H MET 58 -0.342 2.766 -5.268 477 HA MET 58 HA MET 58 1.010 4.987 -4.303 478 HB2 MET 58 HB2 MET 58 1.707 2.073 -4.443 479 HB3 MET 58 HB3 MET 58 3.008 3.187 -4.080 480 HG2 MET 58 HG2 MET 58 1.188 4.049 -2.282 481 HG3 MET 58 HG3 MET 58 0.723 2.349 -2.401 482 HE1 MET 58 HE1 MET 58 3.578 4.906 -1.383 483 HE2 MET 58 HE2 MET 58 4.222 4.111 -2.825 484 HE3 MET 58 HE3 MET 58 4.961 3.818 -1.247 485 H GLU 59 H GLU 59 1.804 3.042 -7.223 486 HA GLU 59 HA GLU 59 4.229 4.456 -7.743 487 HB2 GLU 59 HB2 GLU 59 3.709 2.153 -8.658 488 HB3 GLU 59 HB3 GLU 59 2.644 2.924 -9.832 489 HG2 GLU 59 HG2 GLU 59 4.527 4.188 -10.765 490 HG3 GLU 59 HG3 GLU 59 5.610 3.535 -9.540 491 H GLN 60 H GLN 60 0.886 5.074 -8.708 492 HA GLN 60 HA GLN 60 1.303 7.137 -10.593 493 HB2 GLN 60 HB2 GLN 60 -0.924 6.123 -10.102 494 HB3 GLN 60 HB3 GLN 60 -0.930 6.894 -8.520 495 HG2 GLN 60 HG2 GLN 60 -0.888 9.128 -9.683 496 HG3 GLN 60 HG3 GLN 60 -1.050 8.284 -11.220 497 HE21 GLN 60 HE21 GLN 60 -2.957 6.286 -10.058 498 HE22 GLN 60 HE22 GLN 60 -4.441 7.138 -9.883 499 H MET 61 H MET 61 0.928 7.319 -7.040 500 HA MET 61 HA MET 61 1.442 10.150 -6.826 501 HB2 MET 61 HB2 MET 61 1.362 7.974 -4.703 502 HB3 MET 61 HB3 MET 61 1.403 9.701 -4.369 503 HG2 MET 61 HG2 MET 61 -0.786 9.991 -5.409 504 HG3 MET 61 HG3 MET 61 -0.821 8.287 -5.869 505 HE1 MET 61 HE1 MET 61 -1.158 6.482 -2.420 506 HE2 MET 61 HE2 MET 61 0.362 6.825 -3.246 507 HE3 MET 61 HE3 MET 61 -1.043 6.291 -4.168 508 H TYR 62 H TYR 62 3.460 7.321 -6.814 509 HA TYR 62 HA TYR 62 5.795 8.428 -5.543 510 HB2 TYR 62 HB2 TYR 62 5.711 6.077 -5.403 511 HB3 TYR 62 HB3 TYR 62 5.145 5.894 -7.053 512 HD1 TYR 62 HD1 TYR 62 8.232 7.051 -5.206 513 HD2 TYR 62 HD2 TYR 62 6.650 5.025 -8.630 514 HE1 TYR 62 HE1 TYR 62 10.504 6.519 -5.952 515 HE2 TYR 62 HE2 TYR 62 8.929 4.495 -9.366 516 HH TYR 62 HH TYR 62 11.648 4.861 -7.385 517 H LYS 63 H LYS 63 4.908 7.747 -8.928 518 HA LYS 63 HA LYS 63 7.088 8.992 -10.213 519 HB2 LYS 63 HB2 LYS 63 4.229 8.491 -11.103 520 HB3 LYS 63 HB3 LYS 63 5.373 9.320 -12.151 521 HG2 LYS 63 HG2 LYS 63 6.859 7.316 -12.074 522 HG3 LYS 63 HG3 LYS 63 5.634 6.474 -11.113 523 HD2 LYS 63 HD2 LYS 63 4.049 6.526 -12.935 524 HD3 LYS 63 HD3 LYS 63 5.035 7.667 -13.849 525 HE2 LYS 63 HE2 LYS 63 5.226 5.478 -14.854 526 HE3 LYS 63 HE3 LYS 63 6.771 5.897 -14.118 527 HZ1 LYS 63 HZ1 LYS 63 4.723 4.131 -12.900 528 HZ2 LYS 63 HZ2 LYS 63 6.257 4.473 -12.272 529 HZ3 LYS 63 HZ3 LYS 63 6.108 3.605 -13.712 530 H ASP 64 H ASP 64 4.102 10.323 -8.893 531 HA ASP 64 HA ASP 64 4.400 12.953 -9.996 532 HB2 ASP 64 HB2 ASP 64 2.196 11.858 -9.333 533 HB3 ASP 64 HB3 ASP 64 2.635 12.136 -7.650 534 H ALA 65 H ALA 65 5.254 11.453 -6.905 535 HA ALA 65 HA ALA 65 7.122 13.575 -6.251 536 HB1 ALA 65 HB1 ALA 65 5.008 14.520 -5.369 537 HB2 ALA 65 HB2 ALA 65 6.138 14.149 -4.067 538 HB3 ALA 65 HB3 ALA 65 4.772 13.076 -4.382 539 HA PRO 66 HA PRO 66 8.635 9.659 -4.309 540 HB2 PRO 66 HB2 PRO 66 11.004 9.452 -5.577 541 HB3 PRO 66 HB3 PRO 66 9.492 9.053 -6.398 542 HG2 PRO 66 HG2 PRO 66 11.234 11.455 -6.723 543 HG3 PRO 66 HG3 PRO 66 10.199 10.646 -7.912 544 HD2 PRO 66 HD2 PRO 66 9.570 12.990 -6.364 545 HD3 PRO 66 HD3 PRO 66 8.497 12.115 -7.477 546 H ASN 67 H ASN 67 9.130 10.175 -2.164 547 HA ASN 67 HA ASN 67 11.148 12.173 -1.525 548 HB2 ASN 67 HB2 ASN 67 10.676 11.426 0.919 549 HB3 ASN 67 HB3 ASN 67 9.419 12.274 0.035 550 HD21 ASN 67 HD21 ASN 67 7.759 11.508 1.327 551 HD22 ASN 67 HD22 ASN 67 7.263 9.852 1.335 552 H ALA 68 H ALA 68 10.931 8.679 -0.667 553 HA ALA 68 HA ALA 68 13.435 7.867 -1.529 554 HB1 ALA 68 HB1 ALA 68 13.472 8.487 1.461 555 HB2 ALA 68 HB2 ALA 68 14.393 9.351 0.230 556 HB3 ALA 68 HB3 ALA 68 14.746 7.655 0.567 557 H VAL 69 H VAL 69 11.429 7.447 1.404 558 HA VAL 69 HA VAL 69 11.489 4.598 1.382 559 HB VAL 69 HB VAL 69 9.650 4.716 3.077 560 HG11 VAL 69 HG11 VAL 69 11.993 4.869 3.793 561 HG12 VAL 69 HG12 VAL 69 10.959 5.847 4.833 562 HG13 VAL 69 HG13 VAL 69 11.958 6.624 3.602 563 HG21 VAL 69 HG21 VAL 69 9.775 7.731 2.637 564 HG22 VAL 69 HG22 VAL 69 8.871 6.911 3.913 565 HG23 VAL 69 HG23 VAL 69 8.416 6.678 2.226 566 H MET 70 H MET 70 9.369 6.940 -0.160 567 HA MET 70 HA MET 70 7.055 5.534 -0.724 568 HB2 MET 70 HB2 MET 70 7.693 7.986 -1.272 569 HB3 MET 70 HB3 MET 70 8.405 7.365 -2.754 570 HG2 MET 70 HG2 MET 70 6.232 8.210 -3.275 571 HG3 MET 70 HG3 MET 70 6.136 6.448 -3.357 572 HE1 MET 70 HE1 MET 70 2.580 7.610 -1.983 573 HE2 MET 70 HE2 MET 70 3.412 6.778 -3.297 574 HE3 MET 70 HE3 MET 70 3.592 8.524 -3.102 575 H GLU 71 H GLU 71 10.085 5.528 -2.557 576 HA GLU 71 HA GLU 71 9.451 3.736 -4.651 577 HB2 GLU 71 HB2 GLU 71 11.398 5.295 -4.604 578 HB3 GLU 71 HB3 GLU 71 12.134 4.367 -3.312 579 HG2 GLU 71 HG2 GLU 71 11.577 3.113 -6.009 580 HG3 GLU 71 HG3 GLU 71 13.017 4.083 -5.744 581 H GLN 72 H GLN 72 11.063 3.177 -1.539 582 HA GLN 72 HA GLN 72 11.574 0.423 -1.809 583 HB2 GLN 72 HB2 GLN 72 11.208 2.075 0.726 584 HB3 GLN 72 HB3 GLN 72 11.976 0.487 0.649 585 HG2 GLN 72 HG2 GLN 72 13.773 1.389 -0.753 586 HG3 GLN 72 HG3 GLN 72 12.994 2.972 -0.778 587 HE21 GLN 72 HE21 GLN 72 13.141 4.285 1.073 588 HE22 GLN 72 HE22 GLN 72 14.227 3.947 2.369 589 H LEU 73 H LEU 73 8.764 2.155 -0.602 590 HA LEU 73 HA LEU 73 7.301 -0.034 0.462 591 HB2 LEU 73 HB2 LEU 73 6.383 2.686 -0.527 592 HB3 LEU 73 HB3 LEU 73 5.355 1.559 0.348 593 HG LEU 73 HG LEU 73 7.924 2.703 1.508 594 HD11 LEU 73 HD11 LEU 73 6.420 4.570 1.099 595 HD12 LEU 73 HD12 LEU 73 6.547 4.254 2.828 596 HD13 LEU 73 HD13 LEU 73 5.111 3.736 1.942 597 HD21 LEU 73 HD21 LEU 73 7.206 0.595 2.544 598 HD22 LEU 73 HD22 LEU 73 5.615 1.287 2.876 599 HD23 LEU 73 HD23 LEU 73 7.050 1.946 3.664 600 H LEU 74 H LEU 74 7.403 1.434 -2.812 601 HA LEU 74 HA LEU 74 5.402 -0.086 -4.061 602 HB2 LEU 74 HB2 LEU 74 7.827 1.352 -5.045 603 HB3 LEU 74 HB3 LEU 74 7.247 0.088 -6.108 604 HG LEU 74 HG LEU 74 6.317 2.170 -6.861 605 HD11 LEU 74 HD11 LEU 74 4.835 0.233 -7.030 606 HD12 LEU 74 HD12 LEU 74 3.916 1.714 -6.786 607 HD13 LEU 74 HD13 LEU 74 4.148 0.594 -5.443 608 HD21 LEU 74 HD21 LEU 74 6.530 3.500 -4.828 609 HD22 LEU 74 HD22 LEU 74 5.219 2.594 -4.067 610 HD23 LEU 74 HD23 LEU 74 4.893 3.611 -5.474 611 H GLU 75 H GLU 75 8.828 -0.850 -3.537 612 HA GLU 75 HA GLU 75 8.862 -3.416 -4.758 613 HB2 GLU 75 HB2 GLU 75 10.884 -2.012 -4.254 614 HB3 GLU 75 HB3 GLU 75 10.670 -2.365 -2.544 615 HG2 GLU 75 HG2 GLU 75 10.980 -4.807 -3.070 616 HG3 GLU 75 HG3 GLU 75 11.328 -4.360 -4.738 617 H GLU 76 H GLU 76 8.148 -2.365 -1.447 618 HA GLU 76 HA GLU 76 8.164 -4.887 -0.158 619 HB2 GLU 76 HB2 GLU 76 6.745 -2.300 0.565 620 HB3 GLU 76 HB3 GLU 76 6.772 -3.712 1.612 621 HG2 GLU 76 HG2 GLU 76 9.165 -2.086 0.733 622 HG3 GLU 76 HG3 GLU 76 8.427 -2.090 2.331 623 H ILE 77 H ILE 77 5.334 -2.953 -1.287 624 HA ILE 77 HA ILE 77 3.330 -4.874 -0.751 625 HB ILE 77 HB ILE 77 3.201 -2.868 -3.058 626 HG12 ILE 77 HG12 ILE 77 2.343 -2.340 -0.174 627 HG13 ILE 77 HG13 ILE 77 3.862 -1.776 -0.857 628 HG21 ILE 77 HG21 ILE 77 0.972 -4.107 -1.376 629 HG22 ILE 77 HG22 ILE 77 1.364 -4.527 -3.043 630 HG23 ILE 77 HG23 ILE 77 0.751 -2.920 -2.668 631 HD11 ILE 77 HD11 ILE 77 2.216 -0.015 -0.824 632 HD12 ILE 77 HD12 ILE 77 1.105 -0.989 -1.785 633 HD13 ILE 77 HD13 ILE 77 2.627 -0.430 -2.488 634 H GLU 78 H GLU 78 5.529 -4.496 -3.455 635 HA GLU 78 HA GLU 78 4.340 -6.172 -5.389 636 HB2 GLU 78 HB2 GLU 78 6.270 -4.470 -5.663 637 HB3 GLU 78 HB3 GLU 78 7.336 -5.724 -5.048 638 HG2 GLU 78 HG2 GLU 78 7.501 -5.752 -7.429 639 HG3 GLU 78 HG3 GLU 78 6.588 -7.191 -6.961 640 H LYS 79 H LYS 79 6.869 -6.869 -2.955 641 HA LYS 79 HA LYS 79 7.321 -9.603 -3.413 642 HB2 LYS 79 HB2 LYS 79 7.376 -8.086 -0.761 643 HB3 LYS 79 HB3 LYS 79 8.105 -9.669 -1.029 644 HG2 LYS 79 HG2 LYS 79 9.742 -8.742 -2.543 645 HG3 LYS 79 HG3 LYS 79 8.928 -7.177 -2.545 646 HD2 LYS 79 HD2 LYS 79 9.476 -6.914 -0.119 647 HD3 LYS 79 HD3 LYS 79 10.341 -8.454 -0.167 648 HE2 LYS 79 HE2 LYS 79 11.941 -7.538 -1.780 649 HE3 LYS 79 HE3 LYS 79 11.043 -6.024 -1.853 650 HZ1 LYS 79 HZ1 LYS 79 12.538 -7.096 0.476 651 HZ2 LYS 79 HZ2 LYS 79 11.542 -5.733 0.537 652 HZ3 LYS 79 HZ3 LYS 79 12.917 -5.732 -0.448 653 H LEU 80 H LEU 80 4.914 -7.981 -1.429 654 HA LEU 80 HA LEU 80 3.754 -10.344 -0.272 655 HB2 LEU 80 HB2 LEU 80 2.695 -7.495 -0.375 656 HB3 LEU 80 HB3 LEU 80 2.131 -8.768 0.701 657 HG LEU 80 HG LEU 80 4.936 -7.576 0.743 658 HD11 LEU 80 HD11 LEU 80 2.666 -7.092 2.685 659 HD12 LEU 80 HD12 LEU 80 3.286 -5.936 1.505 660 HD13 LEU 80 HD13 LEU 80 4.315 -6.474 2.830 661 HD21 LEU 80 HD21 LEU 80 5.253 -8.815 2.841 662 HD22 LEU 80 HD22 LEU 80 4.934 -9.910 1.500 663 HD23 LEU 80 HD23 LEU 80 3.656 -9.551 2.664 664 H LEU 81 H LEU 81 3.101 -8.372 -3.098 665 HA LEU 81 HA LEU 81 0.460 -9.288 -3.677 666 HB2 LEU 81 HB2 LEU 81 1.351 -7.154 -4.554 667 HB3 LEU 81 HB3 LEU 81 2.536 -8.025 -5.511 668 HG LEU 81 HG LEU 81 0.712 -9.003 -6.893 669 HD11 LEU 81 HD11 LEU 81 -1.606 -8.214 -6.677 670 HD12 LEU 81 HD12 LEU 81 -1.174 -7.312 -5.222 671 HD13 LEU 81 HD13 LEU 81 -1.081 -9.075 -5.233 672 HD21 LEU 81 HD21 LEU 81 1.753 -6.894 -7.631 673 HD22 LEU 81 HD22 LEU 81 0.554 -5.971 -6.722 674 HD23 LEU 81 HD23 LEU 81 0.054 -6.961 -8.096 675 H LYS 82 H LYS 82 3.689 -10.385 -4.611 676 HA LYS 82 HA LYS 82 3.010 -12.355 -6.508 677 HB2 LYS 82 HB2 LYS 82 5.340 -12.247 -4.550 678 HB3 LYS 82 HB3 LYS 82 5.232 -13.403 -5.868 679 HG2 LYS 82 HG2 LYS 82 5.181 -10.422 -6.405 680 HG3 LYS 82 HG3 LYS 82 6.699 -11.278 -6.168 681 HD2 LYS 82 HD2 LYS 82 6.355 -11.130 -8.536 682 HD3 LYS 82 HD3 LYS 82 6.055 -12.805 -8.087 683 HE2 LYS 82 HE2 LYS 82 3.619 -12.371 -8.176 684 HE3 LYS 82 HE3 LYS 82 3.939 -10.702 -8.643 685 HZ1 LYS 82 HZ1 LYS 82 3.413 -12.117 -10.538 686 HZ2 LYS 82 HZ2 LYS 82 4.738 -13.106 -10.188 687 HZ3 LYS 82 HZ3 LYS 82 4.983 -11.502 -10.660 688 H LYS 83 H LYS 83 3.392 -12.611 -2.975 689 HA LYS 83 HA LYS 83 2.629 -15.379 -2.786 690 HB2 LYS 83 HB2 LYS 83 2.637 -13.283 -0.576 691 HB3 LYS 83 HB3 LYS 83 2.679 -15.032 -0.368 692 HG2 LYS 83 HG2 LYS 83 4.915 -15.039 -1.561 693 HG3 LYS 83 HG3 LYS 83 4.862 -13.278 -1.543 694 HD2 LYS 83 HD2 LYS 83 6.251 -14.021 0.296 695 HD3 LYS 83 HD3 LYS 83 4.765 -13.343 0.963 696 HE2 LYS 83 HE2 LYS 83 3.881 -15.561 1.388 697 HE3 LYS 83 HE3 LYS 83 5.233 -16.311 0.539 698 HZ1 LYS 83 HZ1 LYS 83 5.467 -16.420 2.949 699 HZ2 LYS 83 HZ2 LYS 83 5.459 -14.733 3.042 700 HZ3 LYS 83 HZ3 LYS 83 6.721 -15.521 2.246 701 H ALA 84 H ALA 84 0.878 -12.323 -2.645 702 HA ALA 84 HA ALA 84 -1.663 -13.374 -1.773 703 HB1 ALA 84 HB1 ALA 84 -1.031 -10.729 -3.129 704 HB2 ALA 84 HB2 ALA 84 -1.042 -11.020 -1.390 705 HB3 ALA 84 HB3 ALA 84 -2.542 -11.141 -2.311 706 H GLY 85 H GLY 85 -0.025 -13.243 -4.814 707 HA2 GLY 85 HA2 GLY 85 -2.326 -13.505 -6.547 708 HA3 GLY 85 HA3 GLY 85 -0.639 -13.731 -6.981 709 H SER 86 H SER 86 -3.062 -15.307 -4.887 710 HA SER 86 HA SER 86 -1.972 -17.925 -5.039 711 HB2 SER 86 HB2 SER 86 -3.349 -17.200 -3.140 712 HB3 SER 86 HB3 SER 86 -4.750 -16.999 -4.190 713 HG SER 86 HG SER 86 -5.095 -18.984 -3.499 714 H LEU 87 H LEU 87 -1.767 -18.791 -7.018 715 HA LEU 87 HA LEU 87 -2.127 -19.666 -9.060 716 HB2 LEU 87 HB2 LEU 87 -5.070 -19.605 -8.319 717 HB3 LEU 87 HB3 LEU 87 -4.416 -20.427 -9.724 718 HG LEU 87 HG LEU 87 -3.877 -21.157 -6.816 719 HD11 LEU 87 HD11 LEU 87 -5.135 -23.209 -7.306 720 HD12 LEU 87 HD12 LEU 87 -5.481 -22.619 -8.934 721 HD13 LEU 87 HD13 LEU 87 -6.132 -21.773 -7.528 722 HD21 LEU 87 HD21 LEU 87 -1.880 -21.617 -8.156 723 HD22 LEU 87 HD22 LEU 87 -2.846 -22.496 -9.343 724 HD23 LEU 87 HD23 LEU 87 -2.670 -23.125 -7.704 725 H VAL 88 H VAL 88 -2.563 -16.608 -8.455 726 HA VAL 88 HA VAL 88 -3.808 -15.827 -11.037 727 HB VAL 88 HB VAL 88 -3.448 -14.048 -8.577 728 HG11 VAL 88 HG11 VAL 88 -5.084 -13.607 -11.106 729 HG12 VAL 88 HG12 VAL 88 -3.569 -12.801 -10.697 730 HG13 VAL 88 HG13 VAL 88 -5.008 -12.515 -9.721 731 HG21 VAL 88 HG21 VAL 88 -5.036 -15.840 -8.030 732 HG22 VAL 88 HG22 VAL 88 -5.971 -15.491 -9.484 733 HG23 VAL 88 HG23 VAL 88 -5.882 -14.299 -8.184 734 HA PRO 89 HA PRO 89 0.514 -14.341 -11.788 735 HB2 PRO 89 HB2 PRO 89 0.605 -14.809 -14.452 736 HB3 PRO 89 HB3 PRO 89 0.802 -16.118 -13.279 737 HG2 PRO 89 HG2 PRO 89 -1.629 -15.352 -14.877 738 HG3 PRO 89 HG3 PRO 89 -0.987 -16.970 -14.525 739 HD2 PRO 89 HD2 PRO 89 -3.085 -15.781 -13.138 740 HD3 PRO 89 HD3 PRO 89 -2.061 -17.071 -12.479 741 H ARG 90 H ARG 90 -0.181 -12.186 -11.221 742 HA ARG 90 HA ARG 90 -0.742 -10.413 -13.489 743 HB2 ARG 90 HB2 ARG 90 -2.715 -10.985 -11.308 744 HB3 ARG 90 HB3 ARG 90 -2.519 -9.282 -11.699 745 HG2 ARG 90 HG2 ARG 90 -3.238 -9.602 -13.945 746 HG3 ARG 90 HG3 ARG 90 -3.086 -11.355 -13.833 747 HD2 ARG 90 HD2 ARG 90 -5.442 -10.592 -13.809 748 HD3 ARG 90 HD3 ARG 90 -5.002 -11.478 -12.353 749 HE ARG 90 HE ARG 90 -4.662 -8.906 -11.587 750 HH11 ARG 90 HH11 ARG 90 -7.322 -10.402 -13.230 751 HH12 ARG 90 HH12 ARG 90 -8.499 -9.473 -12.373 752 HH21 ARG 90 HH21 ARG 90 -6.194 -7.737 -10.524 753 HH22 ARG 90 HH22 ARG 90 -7.872 -7.985 -10.867 754 H GLY 91 H GLY 91 0.122 -8.441 -13.351 755 HA2 GLY 91 HA2 GLY 91 0.667 -6.695 -11.386 756 HA3 GLY 91 HA3 GLY 91 1.988 -7.841 -11.186 757 H SER 92 H SER 92 0.399 -6.567 -14.116 758 HA SER 92 HA SER 92 2.932 -6.219 -15.482 759 HB2 SER 92 HB2 SER 92 0.105 -5.509 -16.389 760 HB3 SER 92 HB3 SER 92 1.536 -5.576 -17.422 761 HG SER 92 HG SER 92 0.384 -7.509 -17.590 762 H TYR 93 H TYR 93 1.162 -4.233 -13.407 763 HA TYR 93 HA TYR 93 1.102 -2.099 -12.786 764 HB2 TYR 93 HB2 TYR 93 3.644 -1.995 -14.369 765 HB3 TYR 93 HB3 TYR 93 2.897 -0.454 -13.981 766 HD1 TYR 93 HD1 TYR 93 2.022 -0.478 -11.310 767 HD2 TYR 93 HD2 TYR 93 5.409 -2.549 -12.896 768 HE1 TYR 93 HE1 TYR 93 3.081 -0.445 -9.090 769 HE2 TYR 93 HE2 TYR 93 6.458 -2.522 -10.677 770 HH TYR 93 HH TYR 93 4.788 -1.756 -7.843 771 H LEU 94 H LEU 94 -0.586 -0.867 -13.281 772 HA LEU 94 HA LEU 94 -1.536 -0.391 -15.927 773 HB2 LEU 94 HB2 LEU 94 -2.264 0.808 -13.230 774 HB3 LEU 94 HB3 LEU 94 -2.975 1.413 -14.712 775 HG LEU 94 HG LEU 94 -4.556 -0.105 -13.690 776 HD11 LEU 94 HD11 LEU 94 -4.462 -0.172 -16.138 777 HD12 LEU 94 HD12 LEU 94 -4.940 -1.729 -15.472 778 HD13 LEU 94 HD13 LEU 94 -3.296 -1.499 -16.074 779 HD21 LEU 94 HD21 LEU 94 -2.385 -2.232 -13.671 780 HD22 LEU 94 HD22 LEU 94 -4.076 -2.483 -13.229 781 HD23 LEU 94 HD23 LEU 94 -3.065 -1.414 -12.261 782 H GLU 95 H GLU 95 -0.509 0.852 -17.348 783 HA GLU 95 HA GLU 95 1.785 2.342 -16.753 784 HB2 GLU 95 HB2 GLU 95 1.713 2.992 -19.199 785 HB3 GLU 95 HB3 GLU 95 1.636 1.266 -18.874 786 HG2 GLU 95 HG2 GLU 95 -0.781 1.261 -19.293 787 HG3 GLU 95 HG3 GLU 95 -0.758 3.005 -19.550 788 H HIS 96 H HIS 96 1.735 4.148 -15.563 789 HA HIS 96 HA HIS 96 0.110 6.474 -16.450 790 HB2 HIS 96 HB2 HIS 96 0.984 5.921 -13.572 791 HB3 HIS 96 HB3 HIS 96 -0.051 7.235 -14.126 792 HD1 HIS 96 HD1 HIS 96 -1.962 5.452 -15.899 793 HD2 HIS 96 HD2 HIS 96 -0.860 4.626 -11.979 794 HE1 HIS 96 HE1 HIS 96 -3.733 3.929 -15.014 795 HE2 HIS 96 HE2 HIS 96 -3.141 3.582 -12.596 796 H HIS 97 H HIS 97 1.117 8.590 -15.859 797 HA HIS 97 HA HIS 97 4.061 8.569 -15.466 798 HB2 HIS 97 HB2 HIS 97 2.593 10.460 -17.373 799 HB3 HIS 97 HB3 HIS 97 4.321 10.447 -17.048 800 HD1 HIS 97 HD1 HIS 97 5.737 8.808 -18.375 801 HD2 HIS 97 HD2 HIS 97 1.669 8.335 -19.061 802 HE1 HIS 97 HE1 HIS 97 5.569 7.311 -20.367 803 HE2 HIS 97 HE2 HIS 97 3.108 6.894 -20.645 804 H HIS 98 H HIS 98 1.538 11.076 -15.869 805 HA HIS 98 HA HIS 98 1.545 11.748 -13.003 806 HB2 HIS 98 HB2 HIS 98 2.158 13.772 -15.207 807 HB3 HIS 98 HB3 HIS 98 1.681 14.237 -13.576 808 HD1 HIS 98 HD1 HIS 98 4.643 13.606 -15.561 809 HD2 HIS 98 HD2 HIS 98 3.624 13.216 -11.563 810 HE1 HIS 98 HE1 HIS 98 6.814 13.470 -14.325 811 HE2 HIS 98 HE2 HIS 98 6.171 13.076 -11.929 812 H HIS 99 H HIS 99 0.099 11.846 -16.153 813 HA HIS 99 HA HIS 99 -1.869 12.291 -17.088 814 HB2 HIS 99 HB2 HIS 99 -3.725 11.197 -16.218 815 HB3 HIS 99 HB3 HIS 99 -2.444 10.424 -15.309 816 HD1 HIS 99 HD1 HIS 99 -5.233 12.936 -14.920 817 HD2 HIS 99 HD2 HIS 99 -2.647 10.749 -12.510 818 HE1 HIS 99 HE1 HIS 99 -6.098 13.207 -12.594 819 HE2 HIS 99 HE2 HIS 99 -4.372 12.101 -11.152 820 H HIS 100 H HIS 100 -0.560 14.538 -15.464 821 HA HIS 100 HA HIS 100 -0.815 16.665 -14.794 822 HB2 HIS 100 HB2 HIS 100 -2.128 16.969 -16.896 823 HB3 HIS 100 HB3 HIS 100 -3.600 16.547 -16.036 824 HD1 HIS 100 HD1 HIS 100 -4.493 18.342 -14.286 825 HD2 HIS 100 HD2 HIS 100 -1.298 19.612 -16.627 826 HE1 HIS 100 HE1 HIS 100 -4.441 20.837 -14.064 827 HE2 HIS 100 HE2 HIS 100 -2.460 21.579 -15.420 828 H HIS 101 H HIS 101 -1.627 17.908 -12.993 829 HA HIS 101 HA HIS 101 -2.794 16.398 -10.845 830 HB2 HIS 101 HB2 HIS 101 -2.061 19.337 -11.095 831 HB3 HIS 101 HB3 HIS 101 -2.677 18.623 -9.607 832 HD1 HIS 101 HD1 HIS 101 0.427 19.507 -11.108 833 HD2 HIS 101 HD2 HIS 101 -0.888 16.268 -8.861 834 HE1 HIS 101 HE1 HIS 101 2.497 18.435 -10.180 835 HE2 HIS 101 HE2 HIS 101 1.682 16.412 -8.947 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -12.159 -16.169 8.521 2 H2 MET 1 H2 MET 1 -10.541 -16.590 8.274 3 H3 MET 1 H3 MET 1 -11.726 -17.137 7.199 4 HA MET 1 HA MET 1 -12.184 -14.932 6.464 5 HB2 MET 1 HB2 MET 1 -10.729 -13.028 7.263 6 HB3 MET 1 HB3 MET 1 -11.807 -13.679 8.485 7 HG2 MET 1 HG2 MET 1 -9.868 -14.993 9.400 8 HG3 MET 1 HG3 MET 1 -8.822 -14.123 8.276 9 HE1 MET 1 HE1 MET 1 -8.555 -11.387 8.361 10 HE2 MET 1 HE2 MET 1 -9.358 -10.391 9.574 11 HE3 MET 1 HE3 MET 1 -10.310 -11.204 8.332 12 H GLN 2 H GLN 2 -11.253 -16.899 5.186 13 HA GLN 2 HA GLN 2 -10.118 -17.639 3.431 14 HB2 GLN 2 HB2 GLN 2 -10.403 -15.422 2.475 15 HB3 GLN 2 HB3 GLN 2 -8.979 -14.831 3.317 16 HG2 GLN 2 HG2 GLN 2 -8.491 -15.194 0.950 17 HG3 GLN 2 HG3 GLN 2 -7.537 -16.283 1.955 18 HE21 GLN 2 HE21 GLN 2 -7.208 -17.842 0.388 19 HE22 GLN 2 HE22 GLN 2 -8.470 -18.807 -0.280 20 H GLU 3 H GLU 3 -8.308 -18.770 2.874 21 HA GLU 3 HA GLU 3 -6.536 -19.731 4.745 22 HB2 GLU 3 HB2 GLU 3 -6.166 -19.599 1.730 23 HB3 GLU 3 HB3 GLU 3 -5.260 -20.665 2.801 24 HG2 GLU 3 HG2 GLU 3 -7.229 -21.949 3.326 25 HG3 GLU 3 HG3 GLU 3 -8.278 -20.774 2.535 26 H GLU 4 H GLU 4 -5.114 -18.589 5.873 27 HA GLU 4 HA GLU 4 -3.280 -17.490 6.527 28 HB2 GLU 4 HB2 GLU 4 -2.211 -18.868 4.677 29 HB3 GLU 4 HB3 GLU 4 -2.358 -17.463 3.630 30 HG2 GLU 4 HG2 GLU 4 -0.923 -16.181 5.261 31 HG3 GLU 4 HG3 GLU 4 -0.700 -17.677 6.162 32 H ARG 5 H ARG 5 -5.599 -15.940 4.725 33 HA ARG 5 HA ARG 5 -4.417 -13.536 3.864 34 HB2 ARG 5 HB2 ARG 5 -6.731 -14.362 3.235 35 HB3 ARG 5 HB3 ARG 5 -7.291 -13.837 4.816 36 HG2 ARG 5 HG2 ARG 5 -6.601 -11.496 4.237 37 HG3 ARG 5 HG3 ARG 5 -6.151 -12.059 2.628 38 HD2 ARG 5 HD2 ARG 5 -8.311 -11.097 2.390 39 HD3 ARG 5 HD3 ARG 5 -8.580 -12.841 2.374 40 HE ARG 5 HE ARG 5 -8.879 -11.450 4.930 41 HH11 ARG 5 HH11 ARG 5 -10.481 -12.953 2.261 42 HH12 ARG 5 HH12 ARG 5 -12.019 -12.934 3.048 43 HH21 ARG 5 HH21 ARG 5 -10.865 -11.402 5.876 44 HH22 ARG 5 HH22 ARG 5 -12.233 -12.057 5.047 45 H LYS 6 H LYS 6 -5.584 -14.519 7.029 46 HA LYS 6 HA LYS 6 -5.599 -12.024 8.348 47 HB2 LYS 6 HB2 LYS 6 -6.646 -14.054 9.294 48 HB3 LYS 6 HB3 LYS 6 -5.058 -14.788 9.514 49 HG2 LYS 6 HG2 LYS 6 -5.956 -13.892 11.629 50 HG3 LYS 6 HG3 LYS 6 -4.459 -13.077 11.167 51 HD2 LYS 6 HD2 LYS 6 -5.802 -11.167 10.267 52 HD3 LYS 6 HD3 LYS 6 -7.281 -11.984 10.781 53 HE2 LYS 6 HE2 LYS 6 -6.642 -10.252 12.382 54 HE3 LYS 6 HE3 LYS 6 -6.531 -11.845 13.127 55 HZ1 LYS 6 HZ1 LYS 6 -4.118 -11.779 12.653 56 HZ2 LYS 6 HZ2 LYS 6 -4.636 -10.586 13.732 57 HZ3 LYS 6 HZ3 LYS 6 -4.296 -10.179 12.127 58 H LYS 7 H LYS 7 -2.966 -14.416 7.961 59 HA LYS 7 HA LYS 7 -1.039 -12.877 9.478 60 HB2 LYS 7 HB2 LYS 7 -0.440 -15.169 7.564 61 HB3 LYS 7 HB3 LYS 7 0.559 -14.605 8.898 62 HG2 LYS 7 HG2 LYS 7 -2.088 -16.070 9.084 63 HG3 LYS 7 HG3 LYS 7 -0.498 -16.688 9.528 64 HD2 LYS 7 HD2 LYS 7 -1.947 -14.398 10.920 65 HD3 LYS 7 HD3 LYS 7 -1.883 -16.059 11.501 66 HE2 LYS 7 HE2 LYS 7 0.527 -15.898 11.835 67 HE3 LYS 7 HE3 LYS 7 0.553 -14.285 11.116 68 HZ1 LYS 7 HZ1 LYS 7 -0.808 -13.474 12.919 69 HZ2 LYS 7 HZ2 LYS 7 0.587 -14.209 13.539 70 HZ3 LYS 7 HZ3 LYS 7 -0.898 -15.022 13.599 71 H LEU 8 H LEU 8 -1.833 -13.316 6.106 72 HA LEU 8 HA LEU 8 0.320 -11.983 4.859 73 HB2 LEU 8 HB2 LEU 8 -1.275 -13.549 3.739 74 HB3 LEU 8 HB3 LEU 8 -2.547 -12.352 3.909 75 HG LEU 8 HG LEU 8 -1.244 -10.811 2.392 76 HD11 LEU 8 HD11 LEU 8 1.018 -11.662 2.744 77 HD12 LEU 8 HD12 LEU 8 0.606 -11.708 1.032 78 HD13 LEU 8 HD13 LEU 8 0.589 -13.197 1.982 79 HD21 LEU 8 HD21 LEU 8 -1.948 -13.515 1.191 80 HD22 LEU 8 HD22 LEU 8 -1.791 -11.996 0.304 81 HD23 LEU 8 HD23 LEU 8 -3.071 -12.186 1.497 82 H LEU 9 H LEU 9 -2.813 -10.839 6.109 83 HA LEU 9 HA LEU 9 -2.470 -8.142 5.162 84 HB2 LEU 9 HB2 LEU 9 -4.526 -7.575 6.222 85 HB3 LEU 9 HB3 LEU 9 -4.722 -9.133 5.466 86 HG LEU 9 HG LEU 9 -4.305 -10.056 7.919 87 HD11 LEU 9 HD11 LEU 9 -3.754 -7.940 9.007 88 HD12 LEU 9 HD12 LEU 9 -5.219 -8.631 9.695 89 HD13 LEU 9 HD13 LEU 9 -5.331 -7.278 8.565 90 HD21 LEU 9 HD21 LEU 9 -6.376 -10.383 6.639 91 HD22 LEU 9 HD22 LEU 9 -6.952 -8.798 7.162 92 HD23 LEU 9 HD23 LEU 9 -6.701 -10.081 8.345 93 H GLU 10 H GLU 10 -1.799 -9.831 8.234 94 HA GLU 10 HA GLU 10 -1.279 -7.626 9.891 95 HB2 GLU 10 HB2 GLU 10 -0.145 -10.436 9.873 96 HB3 GLU 10 HB3 GLU 10 0.364 -9.267 11.089 97 HG2 GLU 10 HG2 GLU 10 -1.921 -9.060 11.915 98 HG3 GLU 10 HG3 GLU 10 -2.513 -10.119 10.633 99 H LYS 11 H LYS 11 1.008 -9.399 7.796 100 HA LYS 11 HA LYS 11 3.220 -7.646 8.288 101 HB2 LYS 11 HB2 LYS 11 4.355 -8.865 6.479 102 HB3 LYS 11 HB3 LYS 11 3.595 -9.958 7.625 103 HG2 LYS 11 HG2 LYS 11 1.690 -10.235 6.009 104 HG3 LYS 11 HG3 LYS 11 2.600 -9.272 4.846 105 HD2 LYS 11 HD2 LYS 11 3.441 -11.951 6.026 106 HD3 LYS 11 HD3 LYS 11 2.891 -11.665 4.375 107 HE2 LYS 11 HE2 LYS 11 5.442 -10.567 5.616 108 HE3 LYS 11 HE3 LYS 11 5.337 -11.898 4.464 109 HZ1 LYS 11 HZ1 LYS 11 4.425 -10.341 2.839 110 HZ2 LYS 11 HZ2 LYS 11 5.965 -9.876 3.360 111 HZ3 LYS 11 HZ3 LYS 11 4.600 -9.071 3.947 112 H LEU 12 H LEU 12 0.594 -7.637 5.954 113 HA LEU 12 HA LEU 12 1.542 -5.560 4.236 114 HB2 LEU 12 HB2 LEU 12 -0.303 -7.143 3.653 115 HB3 LEU 12 HB3 LEU 12 -1.316 -6.390 4.872 116 HG LEU 12 HG LEU 12 -1.132 -4.218 3.540 117 HD11 LEU 12 HD11 LEU 12 -0.486 -4.348 1.171 118 HD12 LEU 12 HD12 LEU 12 0.030 -6.021 1.392 119 HD13 LEU 12 HD13 LEU 12 0.875 -4.718 2.230 120 HD21 LEU 12 HD21 LEU 12 -2.466 -6.572 2.158 121 HD22 LEU 12 HD22 LEU 12 -2.842 -4.867 1.897 122 HD23 LEU 12 HD23 LEU 12 -3.155 -5.602 3.465 123 H GLU 13 H GLU 13 -0.210 -5.543 7.311 124 HA GLU 13 HA GLU 13 -1.168 -2.890 7.336 125 HB2 GLU 13 HB2 GLU 13 -0.512 -4.794 9.619 126 HB3 GLU 13 HB3 GLU 13 -1.223 -3.212 9.893 127 HG2 GLU 13 HG2 GLU 13 -2.510 -5.365 8.202 128 HG3 GLU 13 HG3 GLU 13 -2.845 -5.134 9.909 129 H LYS 14 H LYS 14 1.900 -4.266 8.555 130 HA LYS 14 HA LYS 14 3.025 -1.913 9.619 131 HB2 LYS 14 HB2 LYS 14 3.988 -4.230 9.911 132 HB3 LYS 14 HB3 LYS 14 4.568 -4.166 8.249 133 HG2 LYS 14 HG2 LYS 14 5.877 -2.058 8.933 134 HG3 LYS 14 HG3 LYS 14 5.454 -2.454 10.597 135 HD2 LYS 14 HD2 LYS 14 7.546 -3.456 10.465 136 HD3 LYS 14 HD3 LYS 14 6.534 -4.815 9.982 137 HE2 LYS 14 HE2 LYS 14 8.172 -2.994 8.191 138 HE3 LYS 14 HE3 LYS 14 8.413 -4.717 8.475 139 HZ1 LYS 14 HZ1 LYS 14 6.212 -5.069 7.400 140 HZ2 LYS 14 HZ2 LYS 14 7.403 -4.453 6.371 141 HZ3 LYS 14 HZ3 LYS 14 6.206 -3.425 6.978 142 H ILE 15 H ILE 15 3.187 -3.267 6.314 143 HA ILE 15 HA ILE 15 4.910 -1.358 5.155 144 HB ILE 15 HB ILE 15 2.707 -2.924 3.732 145 HG12 ILE 15 HG12 ILE 15 5.637 -3.661 4.196 146 HG13 ILE 15 HG13 ILE 15 4.248 -4.446 4.934 147 HG21 ILE 15 HG21 ILE 15 4.068 -2.595 1.678 148 HG22 ILE 15 HG22 ILE 15 5.212 -1.608 2.590 149 HG23 ILE 15 HG23 ILE 15 3.552 -1.053 2.360 150 HD11 ILE 15 HD11 ILE 15 5.146 -5.802 3.168 151 HD12 ILE 15 HD12 ILE 15 4.987 -4.488 2.008 152 HD13 ILE 15 HD13 ILE 15 3.543 -5.234 2.704 153 H LEU 16 H LEU 16 1.328 -1.493 5.154 154 HA LEU 16 HA LEU 16 0.832 0.915 3.782 155 HB2 LEU 16 HB2 LEU 16 -0.799 -0.927 5.507 156 HB3 LEU 16 HB3 LEU 16 -1.464 0.666 5.195 157 HG LEU 16 HG LEU 16 -1.586 0.272 2.820 158 HD11 LEU 16 HD11 LEU 16 -0.104 -2.338 3.248 159 HD12 LEU 16 HD12 LEU 16 0.512 -0.898 2.433 160 HD13 LEU 16 HD13 LEU 16 -0.826 -1.798 1.727 161 HD21 LEU 16 HD21 LEU 16 -3.119 -1.651 2.689 162 HD22 LEU 16 HD22 LEU 16 -3.432 -0.686 4.128 163 HD23 LEU 16 HD23 LEU 16 -2.564 -2.216 4.269 164 H ASP 17 H ASP 17 1.456 0.306 7.186 165 HA ASP 17 HA ASP 17 0.842 2.952 8.122 166 HB2 ASP 17 HB2 ASP 17 0.963 0.826 9.534 167 HB3 ASP 17 HB3 ASP 17 2.714 0.918 9.412 168 H GLU 18 H GLU 18 3.731 1.361 6.854 169 HA GLU 18 HA GLU 18 5.525 3.606 7.196 170 HB2 GLU 18 HB2 GLU 18 5.757 1.085 5.513 171 HB3 GLU 18 HB3 GLU 18 7.058 2.253 5.729 172 HG2 GLU 18 HG2 GLU 18 7.256 1.714 8.070 173 HG3 GLU 18 HG3 GLU 18 5.792 0.730 8.024 174 H VAL 19 H VAL 19 3.222 2.615 4.715 175 HA VAL 19 HA VAL 19 4.190 4.296 2.592 176 HB VAL 19 HB VAL 19 1.355 3.232 3.003 177 HG11 VAL 19 HG11 VAL 19 1.023 3.720 0.596 178 HG12 VAL 19 HG12 VAL 19 2.642 4.424 0.513 179 HG13 VAL 19 HG13 VAL 19 1.399 5.188 1.499 180 HG21 VAL 19 HG21 VAL 19 1.941 1.505 1.333 181 HG22 VAL 19 HG22 VAL 19 3.006 1.406 2.731 182 HG23 VAL 19 HG23 VAL 19 3.590 2.137 1.239 183 H THR 20 H THR 20 1.668 4.706 5.117 184 HA THR 20 HA THR 20 0.987 7.411 4.515 185 HB THR 20 HB THR 20 -0.019 7.518 6.783 186 HG1 THR 20 HG1 THR 20 0.205 5.292 7.929 187 HG21 THR 20 HG21 THR 20 -1.323 6.351 5.039 188 HG22 THR 20 HG22 THR 20 -1.606 5.631 6.623 189 HG23 THR 20 HG23 THR 20 -0.544 4.826 5.467 190 H ASP 21 H ASP 21 3.430 5.967 6.646 191 HA ASP 21 HA ASP 21 4.441 8.355 7.820 192 HB2 ASP 21 HB2 ASP 21 4.780 6.139 8.823 193 HB3 ASP 21 HB3 ASP 21 5.716 5.612 7.428 194 H GLY 22 H GLY 22 5.471 6.478 4.974 195 HA2 GLY 22 HA2 GLY 22 7.709 8.244 4.329 196 HA3 GLY 22 HA3 GLY 22 7.237 6.782 3.477 197 H ALA 23 H ALA 23 4.454 8.488 3.816 198 HA ALA 23 HA ALA 23 4.456 9.592 1.132 199 HB1 ALA 23 HB1 ALA 23 2.095 10.119 1.611 200 HB2 ALA 23 HB2 ALA 23 2.330 9.633 3.295 201 HB3 ALA 23 HB3 ALA 23 2.474 8.442 2.003 202 HA PRO 24 HA PRO 24 5.000 13.943 2.575 203 HB2 PRO 24 HB2 PRO 24 3.943 15.223 0.386 204 HB3 PRO 24 HB3 PRO 24 5.576 14.544 0.391 205 HG2 PRO 24 HG2 PRO 24 3.037 13.358 -0.720 206 HG3 PRO 24 HG3 PRO 24 4.652 13.437 -1.459 207 HD2 PRO 24 HD2 PRO 24 3.731 11.188 -0.230 208 HD3 PRO 24 HD3 PRO 24 5.452 11.635 -0.204 209 H ASP 25 H ASP 25 3.544 15.475 3.478 210 HA ASP 25 HA ASP 25 1.219 14.537 4.650 211 HB2 ASP 25 HB2 ASP 25 2.630 16.454 5.422 212 HB3 ASP 25 HB3 ASP 25 1.990 17.443 4.119 213 H GLU 26 H GLU 26 1.555 16.245 1.603 214 HA GLU 26 HA GLU 26 -1.152 16.859 1.039 215 HB2 GLU 26 HB2 GLU 26 -0.320 17.236 -1.290 216 HB3 GLU 26 HB3 GLU 26 0.669 18.028 -0.071 217 HG2 GLU 26 HG2 GLU 26 2.311 16.144 -0.231 218 HG3 GLU 26 HG3 GLU 26 1.349 15.455 -1.534 219 H ALA 27 H ALA 27 0.874 14.093 -0.106 220 HA ALA 27 HA ALA 27 -1.332 12.881 -1.575 221 HB1 ALA 27 HB1 ALA 27 1.495 11.861 -1.150 222 HB2 ALA 27 HB2 ALA 27 0.951 12.838 -2.513 223 HB3 ALA 27 HB3 ALA 27 0.312 11.209 -2.290 224 H ARG 28 H ARG 28 -0.105 12.726 1.586 225 HA ARG 28 HA ARG 28 -0.472 10.048 2.338 226 HB2 ARG 28 HB2 ARG 28 0.688 11.977 3.628 227 HB3 ARG 28 HB3 ARG 28 -0.917 12.407 4.211 228 HG2 ARG 28 HG2 ARG 28 -1.103 10.035 5.113 229 HG3 ARG 28 HG3 ARG 28 0.599 9.822 4.697 230 HD2 ARG 28 HD2 ARG 28 0.620 10.390 6.986 231 HD3 ARG 28 HD3 ARG 28 1.033 11.903 6.171 232 HE ARG 28 HE ARG 28 -1.685 11.996 6.440 233 HH11 ARG 28 HH11 ARG 28 0.917 11.644 8.693 234 HH12 ARG 28 HH12 ARG 28 -0.008 12.277 10.004 235 HH21 ARG 28 HH21 ARG 28 -2.847 12.723 8.116 236 HH22 ARG 28 HH22 ARG 28 -2.137 12.872 9.683 237 H GLU 29 H GLU 29 -2.749 12.684 2.021 238 HA GLU 29 HA GLU 29 -4.971 11.844 3.456 239 HB2 GLU 29 HB2 GLU 29 -4.956 13.259 0.757 240 HB3 GLU 29 HB3 GLU 29 -6.294 13.245 1.900 241 HG2 GLU 29 HG2 GLU 29 -3.581 14.520 2.321 242 HG3 GLU 29 HG3 GLU 29 -5.102 15.361 2.022 243 H ARG 30 H ARG 30 -4.314 11.219 0.012 244 HA ARG 30 HA ARG 30 -6.552 9.568 -0.505 245 HB2 ARG 30 HB2 ARG 30 -5.260 10.767 -2.265 246 HB3 ARG 30 HB3 ARG 30 -3.879 9.720 -1.966 247 HG2 ARG 30 HG2 ARG 30 -5.051 9.003 -3.978 248 HG3 ARG 30 HG3 ARG 30 -5.187 7.765 -2.730 249 HD2 ARG 30 HD2 ARG 30 -7.481 8.704 -2.178 250 HD3 ARG 30 HD3 ARG 30 -7.327 9.739 -3.606 251 HE ARG 30 HE ARG 30 -6.906 6.934 -4.140 252 HH11 ARG 30 HH11 ARG 30 -9.333 9.406 -3.940 253 HH12 ARG 30 HH12 ARG 30 -10.468 8.500 -4.878 254 HH21 ARG 30 HH21 ARG 30 -8.377 5.807 -5.317 255 HH22 ARG 30 HH22 ARG 30 -9.942 6.475 -5.634 256 H ILE 31 H ILE 31 -3.305 8.863 0.639 257 HA ILE 31 HA ILE 31 -3.364 6.023 0.364 258 HB ILE 31 HB ILE 31 -1.623 7.832 2.099 259 HG12 ILE 31 HG12 ILE 31 -1.039 6.437 -0.554 260 HG13 ILE 31 HG13 ILE 31 -1.446 8.138 -0.388 261 HG21 ILE 31 HG21 ILE 31 -1.268 4.855 1.531 262 HG22 ILE 31 HG22 ILE 31 -1.658 5.581 3.092 263 HG23 ILE 31 HG23 ILE 31 -0.093 5.892 2.347 264 HD11 ILE 31 HD11 ILE 31 0.608 8.519 0.842 265 HD12 ILE 31 HD12 ILE 31 0.921 7.792 -0.733 266 HD13 ILE 31 HD13 ILE 31 1.014 6.806 0.724 267 H GLU 32 H GLU 32 -3.899 8.151 3.219 268 HA GLU 32 HA GLU 32 -4.412 6.078 5.094 269 HB2 GLU 32 HB2 GLU 32 -5.324 8.985 5.111 270 HB3 GLU 32 HB3 GLU 32 -5.443 7.898 6.491 271 HG2 GLU 32 HG2 GLU 32 -2.990 7.707 6.571 272 HG3 GLU 32 HG3 GLU 32 -2.854 8.762 5.164 273 H LYS 33 H LYS 33 -6.429 7.714 2.748 274 HA LYS 33 HA LYS 33 -8.956 6.719 3.657 275 HB2 LYS 33 HB2 LYS 33 -8.811 8.709 2.251 276 HB3 LYS 33 HB3 LYS 33 -8.034 7.804 0.963 277 HG2 LYS 33 HG2 LYS 33 -10.650 6.651 1.673 278 HG3 LYS 33 HG3 LYS 33 -10.786 8.346 1.215 279 HD2 LYS 33 HD2 LYS 33 -9.735 7.897 -0.950 280 HD3 LYS 33 HD3 LYS 33 -9.416 6.222 -0.485 281 HE2 LYS 33 HE2 LYS 33 -11.409 6.524 -2.002 282 HE3 LYS 33 HE3 LYS 33 -11.762 5.692 -0.488 283 HZ1 LYS 33 HZ1 LYS 33 -12.709 7.681 0.402 284 HZ2 LYS 33 HZ2 LYS 33 -13.422 7.383 -1.102 285 HZ3 LYS 33 HZ3 LYS 33 -12.242 8.585 -0.953 286 H LEU 34 H LEU 34 -6.823 5.712 0.896 287 HA LEU 34 HA LEU 34 -8.513 3.549 0.137 288 HB2 LEU 34 HB2 LEU 34 -6.968 4.663 -1.478 289 HB3 LEU 34 HB3 LEU 34 -5.601 3.944 -0.635 290 HG LEU 34 HG LEU 34 -6.533 1.651 -1.192 291 HD11 LEU 34 HD11 LEU 34 -8.222 1.433 -2.976 292 HD12 LEU 34 HD12 LEU 34 -8.477 3.179 -2.952 293 HD13 LEU 34 HD13 LEU 34 -8.880 2.206 -1.535 294 HD21 LEU 34 HD21 LEU 34 -4.717 2.623 -2.532 295 HD22 LEU 34 HD22 LEU 34 -5.902 3.371 -3.606 296 HD23 LEU 34 HD23 LEU 34 -5.778 1.614 -3.512 297 H ALA 35 H ALA 35 -5.397 3.596 1.878 298 HA ALA 35 HA ALA 35 -5.019 0.872 2.333 299 HB1 ALA 35 HB1 ALA 35 -3.315 2.571 2.842 300 HB2 ALA 35 HB2 ALA 35 -3.598 1.527 4.234 301 HB3 ALA 35 HB3 ALA 35 -4.283 3.155 4.200 302 H LYS 36 H LYS 36 -7.124 3.143 4.036 303 HA LYS 36 HA LYS 36 -7.920 1.339 6.130 304 HB2 LYS 36 HB2 LYS 36 -8.003 3.817 6.348 305 HB3 LYS 36 HB3 LYS 36 -9.285 3.876 5.144 306 HG2 LYS 36 HG2 LYS 36 -10.846 2.823 6.603 307 HG3 LYS 36 HG3 LYS 36 -9.577 2.306 7.715 308 HD2 LYS 36 HD2 LYS 36 -10.744 4.133 8.756 309 HD3 LYS 36 HD3 LYS 36 -9.159 4.729 8.275 310 HE2 LYS 36 HE2 LYS 36 -11.714 5.202 6.703 311 HE3 LYS 36 HE3 LYS 36 -11.038 6.338 7.864 312 HZ1 LYS 36 HZ1 LYS 36 -9.861 5.484 5.284 313 HZ2 LYS 36 HZ2 LYS 36 -8.998 6.355 6.449 314 HZ3 LYS 36 HZ3 LYS 36 -10.371 7.031 5.737 315 H ASP 37 H ASP 37 -9.354 2.318 2.984 316 HA ASP 37 HA ASP 37 -11.665 0.681 3.049 317 HB2 ASP 37 HB2 ASP 37 -10.009 1.681 0.692 318 HB3 ASP 37 HB3 ASP 37 -11.512 0.784 0.487 319 H VAL 38 H VAL 38 -8.300 -0.085 2.321 320 HA VAL 38 HA VAL 38 -8.671 -2.736 1.348 321 HB VAL 38 HB VAL 38 -6.244 -1.574 2.819 322 HG11 VAL 38 HG11 VAL 38 -4.934 -3.441 1.838 323 HG12 VAL 38 HG12 VAL 38 -6.417 -4.129 1.167 324 HG13 VAL 38 HG13 VAL 38 -6.200 -4.033 2.913 325 HG21 VAL 38 HG21 VAL 38 -6.712 -1.895 -0.176 326 HG22 VAL 38 HG22 VAL 38 -5.229 -1.302 0.580 327 HG23 VAL 38 HG23 VAL 38 -6.718 -0.374 0.717 328 H LYS 39 H LYS 39 -8.165 -1.396 4.635 329 HA LYS 39 HA LYS 39 -7.989 -3.769 6.116 330 HB2 LYS 39 HB2 LYS 39 -9.143 -1.090 6.969 331 HB3 LYS 39 HB3 LYS 39 -8.694 -2.381 8.078 332 HG2 LYS 39 HG2 LYS 39 -6.347 -2.166 7.468 333 HG3 LYS 39 HG3 LYS 39 -6.750 -0.992 6.213 334 HD2 LYS 39 HD2 LYS 39 -7.627 0.549 8.006 335 HD3 LYS 39 HD3 LYS 39 -7.064 -0.606 9.218 336 HE2 LYS 39 HE2 LYS 39 -5.312 0.848 7.209 337 HE3 LYS 39 HE3 LYS 39 -5.473 1.252 8.920 338 HZ1 LYS 39 HZ1 LYS 39 -4.593 -0.942 9.463 339 HZ2 LYS 39 HZ2 LYS 39 -3.502 -0.041 8.543 340 HZ3 LYS 39 HZ3 LYS 39 -4.388 -1.287 7.820 341 H ASP 40 H ASP 40 -10.929 -1.955 5.164 342 HA ASP 40 HA ASP 40 -12.874 -3.519 6.486 343 HB2 ASP 40 HB2 ASP 40 -13.086 -1.996 3.850 344 HB3 ASP 40 HB3 ASP 40 -14.467 -2.663 4.718 345 H GLU 41 H GLU 41 -11.358 -3.934 3.307 346 HA GLU 41 HA GLU 41 -12.852 -6.207 2.424 347 HB2 GLU 41 HB2 GLU 41 -10.094 -5.200 1.591 348 HB3 GLU 41 HB3 GLU 41 -11.040 -6.391 0.712 349 HG2 GLU 41 HG2 GLU 41 -11.991 -3.558 1.183 350 HG3 GLU 41 HG3 GLU 41 -11.031 -4.037 -0.210 351 H LEU 42 H LEU 42 -9.800 -5.797 4.166 352 HA LEU 42 HA LEU 42 -8.756 -8.396 4.065 353 HB2 LEU 42 HB2 LEU 42 -8.415 -6.242 6.182 354 HB3 LEU 42 HB3 LEU 42 -7.445 -7.702 6.107 355 HG LEU 42 HG LEU 42 -7.510 -5.529 3.983 356 HD11 LEU 42 HD11 LEU 42 -5.355 -6.161 6.012 357 HD12 LEU 42 HD12 LEU 42 -6.395 -4.736 5.993 358 HD13 LEU 42 HD13 LEU 42 -5.225 -4.985 4.701 359 HD21 LEU 42 HD21 LEU 42 -7.075 -7.695 2.950 360 HD22 LEU 42 HD22 LEU 42 -5.791 -8.023 4.114 361 HD23 LEU 42 HD23 LEU 42 -5.612 -6.712 2.947 362 H GLU 43 H GLU 43 -11.173 -7.001 6.194 363 HA GLU 43 HA GLU 43 -11.410 -9.373 7.885 364 HB2 GLU 43 HB2 GLU 43 -13.176 -6.893 7.744 365 HB3 GLU 43 HB3 GLU 43 -13.205 -8.118 9.012 366 HG2 GLU 43 HG2 GLU 43 -10.903 -7.492 9.671 367 HG3 GLU 43 HG3 GLU 43 -10.878 -6.266 8.403 368 H GLU 44 H GLU 44 -13.619 -7.575 5.688 369 HA GLU 44 HA GLU 44 -14.763 -10.095 4.705 370 HB2 GLU 44 HB2 GLU 44 -16.235 -9.405 6.566 371 HB3 GLU 44 HB3 GLU 44 -16.475 -7.831 5.814 372 HG2 GLU 44 HG2 GLU 44 -17.665 -8.827 3.948 373 HG3 GLU 44 HG3 GLU 44 -17.264 -10.451 4.496 374 H GLY 45 H GLY 45 -13.709 -9.721 2.799 375 HA2 GLY 45 HA2 GLY 45 -15.195 -8.712 0.687 376 HA3 GLY 45 HA3 GLY 45 -14.016 -7.459 1.087 377 H ASP 46 H ASP 46 -12.695 -7.645 -0.693 378 HA ASP 46 HA ASP 46 -11.404 -10.217 -1.346 379 HB2 ASP 46 HB2 ASP 46 -12.313 -8.537 -3.106 380 HB3 ASP 46 HB3 ASP 46 -10.958 -7.502 -2.685 381 H ALA 47 H ALA 47 -8.814 -9.633 -1.902 382 HA ALA 47 HA ALA 47 -7.665 -7.614 -0.190 383 HB1 ALA 47 HB1 ALA 47 -6.894 -10.510 0.318 384 HB2 ALA 47 HB2 ALA 47 -7.822 -9.472 1.405 385 HB3 ALA 47 HB3 ALA 47 -6.139 -9.089 1.047 386 H LYS 48 H LYS 48 -6.947 -10.396 -2.366 387 HA LYS 48 HA LYS 48 -4.315 -9.662 -3.049 388 HB2 LYS 48 HB2 LYS 48 -5.162 -11.890 -3.610 389 HB3 LYS 48 HB3 LYS 48 -6.353 -11.202 -4.709 390 HG2 LYS 48 HG2 LYS 48 -4.556 -10.396 -6.194 391 HG3 LYS 48 HG3 LYS 48 -3.336 -11.025 -5.084 392 HD2 LYS 48 HD2 LYS 48 -4.101 -13.325 -5.518 393 HD3 LYS 48 HD3 LYS 48 -5.384 -12.721 -6.570 394 HE2 LYS 48 HE2 LYS 48 -3.435 -13.571 -7.856 395 HE3 LYS 48 HE3 LYS 48 -3.737 -11.858 -8.154 396 HZ1 LYS 48 HZ1 LYS 48 -1.941 -11.312 -6.633 397 HZ2 LYS 48 HZ2 LYS 48 -1.382 -12.326 -7.860 398 HZ3 LYS 48 HZ3 LYS 48 -1.667 -12.947 -6.315 399 H ASN 49 H ASN 49 -7.336 -9.024 -4.879 400 HA ASN 49 HA ASN 49 -6.194 -7.351 -6.861 401 HB2 ASN 49 HB2 ASN 49 -8.419 -8.538 -7.028 402 HB3 ASN 49 HB3 ASN 49 -9.092 -7.363 -5.910 403 HD21 ASN 49 HD21 ASN 49 -7.904 -7.876 -9.143 404 HD22 ASN 49 HD22 ASN 49 -8.535 -6.420 -9.818 405 H MET 50 H MET 50 -7.375 -6.674 -3.622 406 HA MET 50 HA MET 50 -7.396 -3.823 -3.758 407 HB2 MET 50 HB2 MET 50 -7.052 -5.696 -1.386 408 HB3 MET 50 HB3 MET 50 -7.244 -3.952 -1.238 409 HG2 MET 50 HG2 MET 50 -9.269 -5.845 -2.445 410 HG3 MET 50 HG3 MET 50 -9.349 -5.129 -0.836 411 HE1 MET 50 HE1 MET 50 -8.251 -2.119 -1.487 412 HE2 MET 50 HE2 MET 50 -9.628 -2.440 -0.433 413 HE3 MET 50 HE3 MET 50 -9.782 -1.281 -1.755 414 H ILE 51 H ILE 51 -4.837 -6.160 -2.955 415 HA ILE 51 HA ILE 51 -2.825 -4.208 -2.267 416 HB ILE 51 HB ILE 51 -2.498 -7.137 -3.081 417 HG12 ILE 51 HG12 ILE 51 -2.475 -6.034 -0.229 418 HG13 ILE 51 HG13 ILE 51 -3.940 -6.637 -0.993 419 HG21 ILE 51 HG21 ILE 51 -0.372 -5.926 -3.312 420 HG22 ILE 51 HG22 ILE 51 -0.286 -7.040 -1.950 421 HG23 ILE 51 HG23 ILE 51 -0.509 -5.312 -1.662 422 HD11 ILE 51 HD11 ILE 51 -2.914 -8.833 -1.246 423 HD12 ILE 51 HD12 ILE 51 -2.947 -8.307 0.437 424 HD13 ILE 51 HD13 ILE 51 -1.441 -8.235 -0.476 425 H GLU 52 H GLU 52 -3.692 -6.029 -5.205 426 HA GLU 52 HA GLU 52 -1.662 -5.191 -6.953 427 HB2 GLU 52 HB2 GLU 52 -4.575 -5.823 -7.628 428 HB3 GLU 52 HB3 GLU 52 -3.272 -5.698 -8.808 429 HG2 GLU 52 HG2 GLU 52 -2.128 -7.608 -7.703 430 HG3 GLU 52 HG3 GLU 52 -3.481 -7.762 -6.596 431 H LYS 53 H LYS 53 -4.835 -3.753 -6.233 432 HA LYS 53 HA LYS 53 -4.394 -1.458 -7.948 433 HB2 LYS 53 HB2 LYS 53 -6.689 -2.294 -6.179 434 HB3 LYS 53 HB3 LYS 53 -6.647 -0.678 -6.877 435 HG2 LYS 53 HG2 LYS 53 -6.615 -3.291 -8.432 436 HG3 LYS 53 HG3 LYS 53 -7.988 -2.187 -8.270 437 HD2 LYS 53 HD2 LYS 53 -6.739 -0.418 -9.451 438 HD3 LYS 53 HD3 LYS 53 -5.320 -1.461 -9.561 439 HE2 LYS 53 HE2 LYS 53 -6.611 -3.027 -10.990 440 HE3 LYS 53 HE3 LYS 53 -7.995 -1.934 -10.906 441 HZ1 LYS 53 HZ1 LYS 53 -6.663 -0.221 -11.948 442 HZ2 LYS 53 HZ2 LYS 53 -6.725 -1.595 -12.928 443 HZ3 LYS 53 HZ3 LYS 53 -5.331 -1.260 -12.028 444 H PHE 54 H PHE 54 -3.860 -2.084 -4.554 445 HA PHE 54 HA PHE 54 -3.643 0.676 -3.787 446 HB2 PHE 54 HB2 PHE 54 -3.951 -1.120 -2.068 447 HB3 PHE 54 HB3 PHE 54 -2.341 -1.736 -2.435 448 HD1 PHE 54 HD2 PHE 54 -4.161 1.269 -1.168 449 HD2 PHE 54 HD1 PHE 54 -0.397 -0.750 -1.374 450 HE1 PHE 54 HE2 PHE 54 -3.186 2.933 0.348 451 HE2 PHE 54 HE1 PHE 54 0.569 0.929 0.135 452 HZ PHE 54 HZ PHE 54 -0.805 2.776 0.968 453 H ARG 55 H ARG 55 -1.360 -1.783 -4.911 454 HA ARG 55 HA ARG 55 0.987 -0.134 -4.885 455 HB2 ARG 55 HB2 ARG 55 0.962 -2.643 -4.743 456 HB3 ARG 55 HB3 ARG 55 0.426 -2.722 -6.407 457 HG2 ARG 55 HG2 ARG 55 3.029 -1.338 -5.760 458 HG3 ARG 55 HG3 ARG 55 2.969 -3.100 -5.770 459 HD2 ARG 55 HD2 ARG 55 2.280 -1.266 -8.092 460 HD3 ARG 55 HD3 ARG 55 3.729 -2.260 -7.932 461 HE ARG 55 HE ARG 55 2.148 -4.223 -7.925 462 HH11 ARG 55 HH11 ARG 55 1.345 -1.320 -9.622 463 HH12 ARG 55 HH12 ARG 55 0.330 -2.141 -10.751 464 HH21 ARG 55 HH21 ARG 55 0.860 -5.248 -9.378 465 HH22 ARG 55 HH22 ARG 55 0.052 -4.341 -10.607 466 H ASP 56 H ASP 56 -1.478 -0.935 -7.285 467 HA ASP 56 HA ASP 56 -0.383 0.216 -9.619 468 HB2 ASP 56 HB2 ASP 56 -2.381 -1.350 -9.437 469 HB3 ASP 56 HB3 ASP 56 -3.327 0.012 -8.850 470 H GLU 57 H GLU 57 -2.492 1.569 -7.072 471 HA GLU 57 HA GLU 57 -2.627 4.218 -8.210 472 HB2 GLU 57 HB2 GLU 57 -4.439 3.217 -6.768 473 HB3 GLU 57 HB3 GLU 57 -3.363 3.361 -5.381 474 HG2 GLU 57 HG2 GLU 57 -3.302 5.826 -5.699 475 HG3 GLU 57 HG3 GLU 57 -4.402 5.672 -7.066 476 H MET 58 H MET 58 -0.749 2.715 -5.534 477 HA MET 58 HA MET 58 0.699 4.970 -4.746 478 HB2 MET 58 HB2 MET 58 1.296 2.030 -4.589 479 HB3 MET 58 HB3 MET 58 2.600 3.153 -4.255 480 HG2 MET 58 HG2 MET 58 0.794 4.227 -2.620 481 HG3 MET 58 HG3 MET 58 0.139 2.587 -2.672 482 HE1 MET 58 HE1 MET 58 3.290 4.814 -1.788 483 HE2 MET 58 HE2 MET 58 3.896 3.730 -3.036 484 HE3 MET 58 HE3 MET 58 4.465 3.574 -1.369 485 H GLU 59 H GLU 59 1.261 2.898 -7.575 486 HA GLU 59 HA GLU 59 3.725 3.982 -8.409 487 HB2 GLU 59 HB2 GLU 59 2.765 2.021 -9.528 488 HB3 GLU 59 HB3 GLU 59 1.389 2.969 -10.082 489 HG2 GLU 59 HG2 GLU 59 2.871 4.313 -11.525 490 HG3 GLU 59 HG3 GLU 59 4.266 3.399 -10.958 491 H GLN 60 H GLN 60 0.410 5.065 -8.961 492 HA GLN 60 HA GLN 60 0.919 7.320 -10.596 493 HB2 GLN 60 HB2 GLN 60 -1.446 6.740 -8.750 494 HB3 GLN 60 HB3 GLN 60 -1.439 7.938 -10.042 495 HG2 GLN 60 HG2 GLN 60 -1.134 4.941 -10.421 496 HG3 GLN 60 HG3 GLN 60 -2.626 5.851 -10.655 497 HE21 GLN 60 HE21 GLN 60 -2.844 7.133 -12.503 498 HE22 GLN 60 HE22 GLN 60 -1.754 7.033 -13.841 499 H MET 61 H MET 61 0.360 7.085 -7.055 500 HA MET 61 HA MET 61 0.584 9.878 -6.500 501 HB2 MET 61 HB2 MET 61 0.789 7.468 -4.647 502 HB3 MET 61 HB3 MET 61 0.694 9.135 -4.092 503 HG2 MET 61 HG2 MET 61 -1.531 9.355 -5.151 504 HG3 MET 61 HG3 MET 61 -1.440 7.676 -5.679 505 HE1 MET 61 HE1 MET 61 -1.604 5.592 -4.079 506 HE2 MET 61 HE2 MET 61 -1.721 5.698 -2.321 507 HE3 MET 61 HE3 MET 61 -0.213 6.128 -3.127 508 H TYR 62 H TYR 62 2.924 7.255 -6.562 509 HA TYR 62 HA TYR 62 5.200 8.659 -5.546 510 HB2 TYR 62 HB2 TYR 62 5.313 6.270 -5.536 511 HB3 TYR 62 HB3 TYR 62 4.832 6.150 -7.220 512 HD1 TYR 62 HD1 TYR 62 7.663 7.407 -5.077 513 HD2 TYR 62 HD2 TYR 62 6.504 5.792 -8.864 514 HE1 TYR 62 HE1 TYR 62 10.018 7.240 -5.732 515 HE2 TYR 62 HE2 TYR 62 8.865 5.628 -9.509 516 HH TYR 62 HH TYR 62 11.390 5.850 -7.358 517 H LYS 63 H LYS 63 3.803 8.230 -8.756 518 HA LYS 63 HA LYS 63 5.942 9.391 -10.250 519 HB2 LYS 63 HB2 LYS 63 3.790 7.893 -10.949 520 HB3 LYS 63 HB3 LYS 63 3.151 9.466 -11.377 521 HG2 LYS 63 HG2 LYS 63 5.813 8.463 -12.423 522 HG3 LYS 63 HG3 LYS 63 4.295 8.097 -13.229 523 HD2 LYS 63 HD2 LYS 63 5.341 10.908 -12.721 524 HD3 LYS 63 HD3 LYS 63 5.540 10.022 -14.235 525 HE2 LYS 63 HE2 LYS 63 3.054 9.891 -14.445 526 HE3 LYS 63 HE3 LYS 63 2.902 10.866 -12.983 527 HZ1 LYS 63 HZ1 LYS 63 4.202 11.726 -15.511 528 HZ2 LYS 63 HZ2 LYS 63 4.060 12.664 -14.114 529 HZ3 LYS 63 HZ3 LYS 63 2.673 12.208 -14.970 530 H ASP 64 H ASP 64 3.055 10.771 -8.725 531 HA ASP 64 HA ASP 64 3.488 13.477 -9.606 532 HB2 ASP 64 HB2 ASP 64 1.796 12.235 -7.409 533 HB3 ASP 64 HB3 ASP 64 1.920 13.985 -7.579 534 H ALA 65 H ALA 65 4.114 11.851 -6.440 535 HA ALA 65 HA ALA 65 6.066 13.982 -5.742 536 HB1 ALA 65 HB1 ALA 65 5.279 13.882 -3.412 537 HB2 ALA 65 HB2 ALA 65 4.071 12.675 -3.860 538 HB3 ALA 65 HB3 ALA 65 3.959 14.312 -4.504 539 HA PRO 66 HA PRO 66 8.373 10.008 -5.091 540 HB2 PRO 66 HB2 PRO 66 10.436 10.431 -6.774 541 HB3 PRO 66 HB3 PRO 66 8.843 9.963 -7.379 542 HG2 PRO 66 HG2 PRO 66 10.182 12.640 -7.437 543 HG3 PRO 66 HG3 PRO 66 9.062 11.913 -8.609 544 HD2 PRO 66 HD2 PRO 66 8.409 13.778 -6.537 545 HD3 PRO 66 HD3 PRO 66 7.268 12.905 -7.581 546 H ASN 67 H ASN 67 8.914 10.491 -2.912 547 HA ASN 67 HA ASN 67 11.130 12.389 -2.381 548 HB2 ASN 67 HB2 ASN 67 10.418 12.205 0.019 549 HB3 ASN 67 HB3 ASN 67 9.161 12.809 -1.048 550 HD21 ASN 67 HD21 ASN 67 7.590 12.225 0.526 551 HD22 ASN 67 HD22 ASN 67 7.117 10.583 0.758 552 H ALA 68 H ALA 68 11.577 9.702 -3.551 553 HA ALA 68 HA ALA 68 13.163 8.124 -3.576 554 HB1 ALA 68 HB1 ALA 68 15.114 8.202 -2.126 555 HB2 ALA 68 HB2 ALA 68 14.291 9.317 -1.029 556 HB3 ALA 68 HB3 ALA 68 14.695 9.829 -2.668 557 H VAL 69 H VAL 69 12.299 8.394 -0.068 558 HA VAL 69 HA VAL 69 12.363 5.639 0.480 559 HB VAL 69 HB VAL 69 12.446 7.304 2.273 560 HG11 VAL 69 HG11 VAL 69 10.449 8.531 3.059 561 HG12 VAL 69 HG12 VAL 69 9.525 7.915 1.687 562 HG13 VAL 69 HG13 VAL 69 10.893 8.997 1.416 563 HG21 VAL 69 HG21 VAL 69 10.956 6.228 3.922 564 HG22 VAL 69 HG22 VAL 69 11.712 5.024 2.879 565 HG23 VAL 69 HG23 VAL 69 10.028 5.483 2.619 566 H MET 70 H MET 70 9.742 7.638 -0.800 567 HA MET 70 HA MET 70 7.510 6.020 -0.645 568 HB2 MET 70 HB2 MET 70 7.702 8.375 -1.592 569 HB3 MET 70 HB3 MET 70 8.293 7.668 -3.086 570 HG2 MET 70 HG2 MET 70 5.979 8.204 -3.361 571 HG3 MET 70 HG3 MET 70 6.109 6.443 -3.280 572 HE1 MET 70 HE1 MET 70 3.443 8.402 -2.820 573 HE2 MET 70 HE2 MET 70 2.635 7.492 -1.540 574 HE3 MET 70 HE3 MET 70 3.337 6.647 -2.921 575 H GLU 71 H GLU 71 10.193 5.777 -2.966 576 HA GLU 71 HA GLU 71 9.102 3.792 -4.689 577 HB2 GLU 71 HB2 GLU 71 10.994 5.232 -5.344 578 HB3 GLU 71 HB3 GLU 71 12.010 4.498 -4.109 579 HG2 GLU 71 HG2 GLU 71 11.946 2.347 -5.279 580 HG3 GLU 71 HG3 GLU 71 10.832 3.002 -6.478 581 H GLN 72 H GLN 72 11.080 3.560 -1.737 582 HA GLN 72 HA GLN 72 11.574 0.779 -1.742 583 HB2 GLN 72 HB2 GLN 72 11.293 2.657 0.647 584 HB3 GLN 72 HB3 GLN 72 11.941 1.020 0.728 585 HG2 GLN 72 HG2 GLN 72 13.776 1.709 -0.824 586 HG3 GLN 72 HG3 GLN 72 13.155 3.358 -0.778 587 HE21 GLN 72 HE21 GLN 72 13.416 4.563 1.151 588 HE22 GLN 72 HE22 GLN 72 14.509 4.084 2.392 589 H LEU 73 H LEU 73 8.746 2.621 -0.662 590 HA LEU 73 HA LEU 73 7.358 0.405 0.484 591 HB2 LEU 73 HB2 LEU 73 6.421 3.124 -0.457 592 HB3 LEU 73 HB3 LEU 73 5.275 1.910 0.085 593 HG LEU 73 HG LEU 73 5.622 3.292 1.962 594 HD11 LEU 73 HD11 LEU 73 5.637 0.923 2.523 595 HD12 LEU 73 HD12 LEU 73 6.631 1.844 3.643 596 HD13 LEU 73 HD13 LEU 73 7.398 0.875 2.385 597 HD21 LEU 73 HD21 LEU 73 7.792 3.936 2.898 598 HD22 LEU 73 HD22 LEU 73 7.599 4.520 1.248 599 HD23 LEU 73 HD23 LEU 73 8.621 3.117 1.569 600 H LEU 74 H LEU 74 7.211 1.848 -2.837 601 HA LEU 74 HA LEU 74 5.381 0.079 -4.013 602 HB2 LEU 74 HB2 LEU 74 7.782 1.550 -5.113 603 HB3 LEU 74 HB3 LEU 74 7.041 0.326 -6.125 604 HG LEU 74 HG LEU 74 6.176 2.445 -6.806 605 HD11 LEU 74 HD11 LEU 74 3.770 2.166 -6.525 606 HD12 LEU 74 HD12 LEU 74 4.029 1.053 -5.181 607 HD13 LEU 74 HD13 LEU 74 4.556 0.613 -6.807 608 HD21 LEU 74 HD21 LEU 74 6.688 3.772 -4.835 609 HD22 LEU 74 HD22 LEU 74 5.396 2.983 -3.929 610 HD23 LEU 74 HD23 LEU 74 5.008 4.007 -5.314 611 H GLU 75 H GLU 75 8.832 -0.371 -3.382 612 HA GLU 75 HA GLU 75 9.218 -2.904 -4.550 613 HB2 GLU 75 HB2 GLU 75 11.133 -1.558 -3.984 614 HB3 GLU 75 HB3 GLU 75 10.656 -1.462 -2.296 615 HG2 GLU 75 HG2 GLU 75 12.509 -2.927 -2.390 616 HG3 GLU 75 HG3 GLU 75 11.101 -3.936 -2.102 617 H GLU 76 H GLU 76 8.396 -2.070 -1.163 618 HA GLU 76 HA GLU 76 8.477 -4.735 -0.178 619 HB2 GLU 76 HB2 GLU 76 7.205 -2.233 0.980 620 HB3 GLU 76 HB3 GLU 76 7.352 -3.750 1.860 621 HG2 GLU 76 HG2 GLU 76 9.674 -2.114 0.793 622 HG3 GLU 76 HG3 GLU 76 9.121 -2.132 2.465 623 H ILE 77 H ILE 77 5.763 -2.739 -1.334 624 HA ILE 77 HA ILE 77 3.680 -4.589 -0.707 625 HB ILE 77 HB ILE 77 3.678 -2.521 -2.957 626 HG12 ILE 77 HG12 ILE 77 2.641 -2.133 -0.103 627 HG13 ILE 77 HG13 ILE 77 4.209 -1.560 -0.654 628 HG21 ILE 77 HG21 ILE 77 1.340 -3.836 -1.495 629 HG22 ILE 77 HG22 ILE 77 1.838 -4.157 -3.157 630 HG23 ILE 77 HG23 ILE 77 1.206 -2.572 -2.724 631 HD11 ILE 77 HD11 ILE 77 2.569 0.211 -0.625 632 HD12 ILE 77 HD12 ILE 77 1.542 -0.685 -1.742 633 HD13 ILE 77 HD13 ILE 77 3.123 -0.099 -2.270 634 H GLU 78 H GLU 78 5.700 -4.093 -3.617 635 HA GLU 78 HA GLU 78 4.597 -6.058 -5.312 636 HB2 GLU 78 HB2 GLU 78 7.271 -4.661 -5.169 637 HB3 GLU 78 HB3 GLU 78 7.121 -6.041 -6.248 638 HG2 GLU 78 HG2 GLU 78 5.306 -3.612 -6.349 639 HG3 GLU 78 HG3 GLU 78 6.751 -3.811 -7.341 640 H LYS 79 H LYS 79 7.313 -6.314 -3.022 641 HA LYS 79 HA LYS 79 7.968 -9.018 -3.392 642 HB2 LYS 79 HB2 LYS 79 8.305 -7.157 -1.013 643 HB3 LYS 79 HB3 LYS 79 8.935 -8.800 -1.004 644 HG2 LYS 79 HG2 LYS 79 9.700 -6.687 -3.049 645 HG3 LYS 79 HG3 LYS 79 10.641 -7.072 -1.604 646 HD2 LYS 79 HD2 LYS 79 11.023 -9.355 -2.406 647 HD3 LYS 79 HD3 LYS 79 9.964 -9.086 -3.791 648 HE2 LYS 79 HE2 LYS 79 12.565 -7.594 -3.304 649 HE3 LYS 79 HE3 LYS 79 12.391 -8.997 -4.361 650 HZ1 LYS 79 HZ1 LYS 79 10.778 -7.730 -5.673 651 HZ2 LYS 79 HZ2 LYS 79 12.294 -6.983 -5.631 652 HZ3 LYS 79 HZ3 LYS 79 11.033 -6.378 -4.686 653 H LEU 80 H LEU 80 5.520 -7.507 -1.347 654 HA LEU 80 HA LEU 80 4.631 -9.955 -0.116 655 HB2 LEU 80 HB2 LEU 80 4.416 -7.688 0.915 656 HB3 LEU 80 HB3 LEU 80 3.218 -7.262 -0.290 657 HG LEU 80 HG LEU 80 2.681 -9.694 1.430 658 HD11 LEU 80 HD11 LEU 80 2.277 -6.866 2.441 659 HD12 LEU 80 HD12 LEU 80 3.434 -8.044 3.065 660 HD13 LEU 80 HD13 LEU 80 1.707 -8.344 3.223 661 HD21 LEU 80 HD21 LEU 80 1.074 -9.120 -0.356 662 HD22 LEU 80 HD22 LEU 80 0.820 -7.532 0.371 663 HD23 LEU 80 HD23 LEU 80 0.338 -8.992 1.239 664 H LEU 81 H LEU 81 3.733 -8.129 -3.006 665 HA LEU 81 HA LEU 81 1.137 -9.276 -3.378 666 HB2 LEU 81 HB2 LEU 81 1.710 -7.022 -4.184 667 HB3 LEU 81 HB3 LEU 81 2.880 -7.700 -5.302 668 HG LEU 81 HG LEU 81 1.089 -8.727 -6.634 669 HD11 LEU 81 HD11 LEU 81 -1.290 -8.396 -6.118 670 HD12 LEU 81 HD12 LEU 81 -0.869 -7.580 -4.614 671 HD13 LEU 81 HD13 LEU 81 -0.487 -9.289 -4.831 672 HD21 LEU 81 HD21 LEU 81 1.698 -6.403 -7.170 673 HD22 LEU 81 HD22 LEU 81 0.487 -5.805 -6.031 674 HD23 LEU 81 HD23 LEU 81 -0.016 -6.687 -7.476 675 H LYS 82 H LYS 82 4.335 -10.032 -4.698 676 HA LYS 82 HA LYS 82 3.575 -11.986 -6.608 677 HB2 LYS 82 HB2 LYS 82 6.122 -11.320 -5.142 678 HB3 LYS 82 HB3 LYS 82 6.035 -12.898 -5.903 679 HG2 LYS 82 HG2 LYS 82 7.171 -11.350 -7.368 680 HG3 LYS 82 HG3 LYS 82 5.652 -11.835 -8.099 681 HD2 LYS 82 HD2 LYS 82 5.835 -9.230 -6.570 682 HD3 LYS 82 HD3 LYS 82 6.442 -9.325 -8.218 683 HE2 LYS 82 HE2 LYS 82 4.177 -10.066 -8.969 684 HE3 LYS 82 HE3 LYS 82 3.589 -9.856 -7.319 685 HZ1 LYS 82 HZ1 LYS 82 4.737 -7.719 -9.025 686 HZ2 LYS 82 HZ2 LYS 82 4.161 -7.517 -7.452 687 HZ3 LYS 82 HZ3 LYS 82 3.099 -7.940 -8.689 688 H LYS 83 H LYS 83 4.283 -12.237 -3.147 689 HA LYS 83 HA LYS 83 3.760 -15.052 -2.903 690 HB2 LYS 83 HB2 LYS 83 5.174 -13.431 -1.378 691 HB3 LYS 83 HB3 LYS 83 3.644 -13.052 -0.611 692 HG2 LYS 83 HG2 LYS 83 4.713 -15.884 -0.817 693 HG3 LYS 83 HG3 LYS 83 5.131 -14.806 0.514 694 HD2 LYS 83 HD2 LYS 83 2.781 -14.669 1.195 695 HD3 LYS 83 HD3 LYS 83 2.290 -15.633 -0.201 696 HE2 LYS 83 HE2 LYS 83 4.069 -16.603 2.061 697 HE3 LYS 83 HE3 LYS 83 2.354 -16.970 1.879 698 HZ1 LYS 83 HZ1 LYS 83 2.878 -18.037 -0.245 699 HZ2 LYS 83 HZ2 LYS 83 3.654 -18.777 1.060 700 HZ3 LYS 83 HZ3 LYS 83 4.524 -17.763 0.026 701 H ALA 84 H ALA 84 1.807 -12.116 -2.688 702 HA ALA 84 HA ALA 84 -0.446 -13.196 -1.299 703 HB1 ALA 84 HB1 ALA 84 0.078 -10.788 -1.243 704 HB2 ALA 84 HB2 ALA 84 -1.562 -11.062 -1.830 705 HB3 ALA 84 HB3 ALA 84 -0.271 -10.657 -2.967 706 H GLY 85 H GLY 85 -1.296 -14.981 -2.305 707 HA2 GLY 85 HA2 GLY 85 -2.934 -15.942 -3.706 708 HA3 GLY 85 HA3 GLY 85 -2.702 -14.649 -4.873 709 H SER 86 H SER 86 -2.827 -17.258 -5.730 710 HA SER 86 HA SER 86 -0.257 -18.515 -6.016 711 HB2 SER 86 HB2 SER 86 -2.846 -18.996 -7.550 712 HB3 SER 86 HB3 SER 86 -1.440 -20.069 -7.543 713 HG SER 86 HG SER 86 -2.250 -20.913 -5.806 714 H LEU 87 H LEU 87 0.785 -18.970 -8.130 715 HA LEU 87 HA LEU 87 1.192 -16.608 -9.717 716 HB2 LEU 87 HB2 LEU 87 2.185 -19.449 -10.150 717 HB3 LEU 87 HB3 LEU 87 2.728 -18.049 -11.061 718 HG LEU 87 HG LEU 87 3.189 -18.538 -8.094 719 HD11 LEU 87 HD11 LEU 87 5.144 -18.563 -10.415 720 HD12 LEU 87 HD12 LEU 87 4.573 -19.971 -9.517 721 HD13 LEU 87 HD13 LEU 87 5.560 -18.757 -8.709 722 HD21 LEU 87 HD21 LEU 87 4.592 -16.495 -8.140 723 HD22 LEU 87 HD22 LEU 87 2.905 -16.133 -8.492 724 HD23 LEU 87 HD23 LEU 87 4.085 -16.185 -9.804 725 H VAL 88 H VAL 88 -0.931 -16.229 -10.486 726 HA VAL 88 HA VAL 88 -1.591 -17.676 -12.975 727 HB VAL 88 HB VAL 88 -4.060 -17.264 -12.502 728 HG11 VAL 88 HG11 VAL 88 -2.679 -19.124 -10.529 729 HG12 VAL 88 HG12 VAL 88 -3.105 -19.514 -12.195 730 HG13 VAL 88 HG13 VAL 88 -4.377 -19.205 -11.013 731 HG21 VAL 88 HG21 VAL 88 -3.850 -15.512 -10.773 732 HG22 VAL 88 HG22 VAL 88 -3.114 -16.669 -9.664 733 HG23 VAL 88 HG23 VAL 88 -4.795 -16.872 -10.164 734 HA PRO 89 HA PRO 89 -1.704 -13.419 -14.704 735 HB2 PRO 89 HB2 PRO 89 -3.379 -14.705 -16.841 736 HB3 PRO 89 HB3 PRO 89 -1.898 -13.751 -16.999 737 HG2 PRO 89 HG2 PRO 89 -1.842 -16.404 -17.356 738 HG3 PRO 89 HG3 PRO 89 -0.509 -15.578 -16.518 739 HD2 PRO 89 HD2 PRO 89 -2.810 -17.144 -15.337 740 HD3 PRO 89 HD3 PRO 89 -1.083 -17.191 -14.908 741 H ARG 90 H ARG 90 -3.423 -11.848 -15.339 742 HA ARG 90 HA ARG 90 -5.792 -12.136 -13.622 743 HB2 ARG 90 HB2 ARG 90 -4.858 -9.656 -15.129 744 HB3 ARG 90 HB3 ARG 90 -5.956 -9.723 -13.754 745 HG2 ARG 90 HG2 ARG 90 -4.047 -10.546 -12.335 746 HG3 ARG 90 HG3 ARG 90 -2.976 -10.327 -13.718 747 HD2 ARG 90 HD2 ARG 90 -2.671 -8.389 -12.405 748 HD3 ARG 90 HD3 ARG 90 -3.741 -7.863 -13.708 749 HE ARG 90 HE ARG 90 -4.698 -8.586 -10.996 750 HH11 ARG 90 HH11 ARG 90 -4.926 -6.489 -13.741 751 HH12 ARG 90 HH12 ARG 90 -6.066 -5.454 -12.967 752 HH21 ARG 90 HH21 ARG 90 -6.105 -7.232 -10.035 753 HH22 ARG 90 HH22 ARG 90 -6.736 -5.876 -10.907 754 H GLY 91 H GLY 91 -6.019 -13.803 -15.740 755 HA2 GLY 91 HA2 GLY 91 -7.636 -14.499 -17.240 756 HA3 GLY 91 HA3 GLY 91 -8.343 -12.894 -17.222 757 H SER 92 H SER 92 -8.343 -14.009 -19.611 758 HA SER 92 HA SER 92 -6.033 -13.285 -21.230 759 HB2 SER 92 HB2 SER 92 -7.504 -13.896 -23.156 760 HB3 SER 92 HB3 SER 92 -7.474 -15.161 -21.931 761 HG SER 92 HG SER 92 -9.602 -14.421 -22.864 762 H TYR 93 H TYR 93 -9.149 -11.942 -20.388 763 HA TYR 93 HA TYR 93 -10.016 -9.889 -20.284 764 HB2 TYR 93 HB2 TYR 93 -7.531 -9.285 -19.727 765 HB3 TYR 93 HB3 TYR 93 -7.476 -8.618 -21.353 766 HD1 TYR 93 HD2 TYR 93 -9.034 -8.290 -18.003 767 HD2 TYR 93 HD1 TYR 93 -8.607 -6.483 -21.857 768 HE1 TYR 93 HE2 TYR 93 -10.010 -6.212 -17.138 769 HE2 TYR 93 HE1 TYR 93 -9.588 -4.404 -20.984 770 HH TYR 93 HH TYR 93 -10.043 -3.855 -17.630 771 H LEU 94 H LEU 94 -11.595 -10.093 -21.794 772 HA LEU 94 HA LEU 94 -11.124 -9.792 -24.642 773 HB2 LEU 94 HB2 LEU 94 -13.684 -10.133 -23.038 774 HB3 LEU 94 HB3 LEU 94 -13.670 -9.919 -24.779 775 HG LEU 94 HG LEU 94 -12.249 -12.039 -24.929 776 HD11 LEU 94 HD11 LEU 94 -11.447 -12.177 -22.620 777 HD12 LEU 94 HD12 LEU 94 -12.316 -13.640 -23.074 778 HD13 LEU 94 HD13 LEU 94 -13.096 -12.437 -22.044 779 HD21 LEU 94 HD21 LEU 94 -14.188 -13.537 -24.770 780 HD22 LEU 94 HD22 LEU 94 -14.633 -12.003 -25.512 781 HD23 LEU 94 HD23 LEU 94 -15.066 -12.325 -23.831 782 H GLU 95 H GLU 95 -11.984 -8.158 -25.971 783 HA GLU 95 HA GLU 95 -12.243 -6.060 -26.713 784 HB2 GLU 95 HB2 GLU 95 -14.422 -6.408 -25.237 785 HB3 GLU 95 HB3 GLU 95 -13.680 -5.213 -24.183 786 HG2 GLU 95 HG2 GLU 95 -13.518 -3.702 -26.259 787 HG3 GLU 95 HG3 GLU 95 -14.570 -4.865 -27.060 788 H HIS 96 H HIS 96 -11.986 -3.522 -25.897 789 HA HIS 96 HA HIS 96 -9.836 -3.214 -23.937 790 HB2 HIS 96 HB2 HIS 96 -8.998 -3.704 -26.446 791 HB3 HIS 96 HB3 HIS 96 -9.358 -2.003 -26.677 792 HD1 HIS 96 HD1 HIS 96 -6.557 -3.900 -26.286 793 HD2 HIS 96 HD2 HIS 96 -7.941 -0.631 -24.134 794 HE1 HIS 96 HE1 HIS 96 -4.535 -2.911 -25.191 795 HE2 HIS 96 HE2 HIS 96 -5.371 -0.846 -24.037 796 H HIS 97 H HIS 97 -12.634 -2.407 -24.052 797 HA HIS 97 HA HIS 97 -14.005 -0.666 -23.525 798 HB2 HIS 97 HB2 HIS 97 -11.386 0.750 -22.850 799 HB3 HIS 97 HB3 HIS 97 -12.982 1.312 -22.364 800 HD1 HIS 97 HD1 HIS 97 -13.611 0.642 -20.052 801 HD2 HIS 97 HD2 HIS 97 -10.886 -2.016 -21.713 802 HE1 HIS 97 HE1 HIS 97 -13.075 -1.004 -18.239 803 HE2 HIS 97 HE2 HIS 97 -11.597 -2.696 -19.338 804 H HIS 98 H HIS 98 -13.094 -0.856 -26.313 805 HA HIS 98 HA HIS 98 -12.437 1.774 -27.305 806 HB2 HIS 98 HB2 HIS 98 -11.485 -0.269 -28.286 807 HB3 HIS 98 HB3 HIS 98 -13.087 -0.812 -28.759 808 HD1 HIS 98 HD1 HIS 98 -13.951 -0.027 -30.981 809 HD2 HIS 98 HD2 HIS 98 -10.497 1.979 -29.829 810 HE1 HIS 98 HE1 HIS 98 -13.236 1.279 -32.988 811 HE2 HIS 98 HE2 HIS 98 -11.058 2.337 -32.326 812 H HIS 99 H HIS 99 -15.448 0.099 -26.799 813 HA HIS 99 HA HIS 99 -16.917 2.274 -28.162 814 HB2 HIS 99 HB2 HIS 99 -18.457 0.765 -29.262 815 HB3 HIS 99 HB3 HIS 99 -16.823 0.291 -29.710 816 HD1 HIS 99 HD1 HIS 99 -19.912 -0.972 -28.169 817 HD2 HIS 99 HD2 HIS 99 -15.943 -2.167 -28.422 818 HE1 HIS 99 HE1 HIS 99 -19.895 -3.377 -27.496 819 HE2 HIS 99 HE2 HIS 99 -17.471 -4.030 -27.497 820 H HIS 100 H HIS 100 -19.165 2.438 -27.530 821 HA HIS 100 HA HIS 100 -19.560 2.170 -24.676 822 HB2 HIS 100 HB2 HIS 100 -21.375 3.282 -26.870 823 HB3 HIS 100 HB3 HIS 100 -21.720 3.378 -25.146 824 HD1 HIS 100 HD1 HIS 100 -21.157 5.606 -24.215 825 HD2 HIS 100 HD2 HIS 100 -18.617 4.593 -27.343 826 HE1 HIS 100 HE1 HIS 100 -19.626 7.565 -24.501 827 HE2 HIS 100 HE2 HIS 100 -17.971 6.833 -26.239 828 H HIS 101 H HIS 101 -21.504 1.181 -23.713 829 HA HIS 101 HA HIS 101 -22.219 -1.379 -25.060 830 HB2 HIS 101 HB2 HIS 101 -21.788 -0.891 -22.075 831 HB3 HIS 101 HB3 HIS 101 -22.120 -2.444 -22.838 832 HD1 HIS 101 HD1 HIS 101 -19.390 -0.061 -22.085 833 HD2 HIS 101 HD2 HIS 101 -19.899 -3.504 -24.353 834 HE1 HIS 101 HE1 HIS 101 -17.083 -0.801 -22.711 835 HE2 HIS 101 HE2 HIS 101 -17.428 -2.780 -24.210 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -8.659 -18.808 9.729 2 H2 MET 1 H2 MET 1 -8.843 -17.362 10.586 3 H3 MET 1 H3 MET 1 -8.102 -18.690 11.319 4 HA MET 1 HA MET 1 -6.283 -18.600 9.753 5 HB2 MET 1 HB2 MET 1 -7.559 -16.006 8.785 6 HB3 MET 1 HB3 MET 1 -6.057 -16.708 8.206 7 HG2 MET 1 HG2 MET 1 -7.285 -18.578 7.227 8 HG3 MET 1 HG3 MET 1 -8.804 -17.935 7.849 9 HE1 MET 1 HE1 MET 1 -9.680 -15.430 7.132 10 HE2 MET 1 HE2 MET 1 -8.986 -14.528 5.789 11 HE3 MET 1 HE3 MET 1 -8.084 -14.690 7.296 12 H GLN 2 H GLN 2 -4.964 -18.306 11.528 13 HA GLN 2 HA GLN 2 -4.396 -15.522 12.324 14 HB2 GLN 2 HB2 GLN 2 -6.030 -16.485 13.999 15 HB3 GLN 2 HB3 GLN 2 -4.853 -17.734 14.389 16 HG2 GLN 2 HG2 GLN 2 -4.826 -15.979 16.081 17 HG3 GLN 2 HG3 GLN 2 -3.295 -15.997 15.214 18 HE21 GLN 2 HE21 GLN 2 -6.217 -14.193 15.813 19 HE22 GLN 2 HE22 GLN 2 -5.701 -12.720 15.081 20 H GLU 3 H GLU 3 -3.352 -18.682 11.625 21 HA GLU 3 HA GLU 3 -0.928 -18.881 13.079 22 HB2 GLU 3 HB2 GLU 3 -1.850 -20.344 10.561 23 HB3 GLU 3 HB3 GLU 3 -0.426 -20.783 11.495 24 HG2 GLU 3 HG2 GLU 3 -2.245 -22.296 12.012 25 HG3 GLU 3 HG3 GLU 3 -1.855 -21.329 13.429 26 H GLU 4 H GLU 4 -1.513 -18.223 9.606 27 HA GLU 4 HA GLU 4 0.865 -16.529 9.411 28 HB2 GLU 4 HB2 GLU 4 1.767 -18.757 8.937 29 HB3 GLU 4 HB3 GLU 4 0.492 -19.064 7.768 30 HG2 GLU 4 HG2 GLU 4 2.617 -18.586 6.653 31 HG3 GLU 4 HG3 GLU 4 1.403 -17.376 6.263 32 H ARG 5 H ARG 5 -2.115 -17.761 7.953 33 HA ARG 5 HA ARG 5 -2.139 -16.293 5.561 34 HB2 ARG 5 HB2 ARG 5 -3.691 -18.249 6.524 35 HB3 ARG 5 HB3 ARG 5 -4.728 -16.919 6.995 36 HG2 ARG 5 HG2 ARG 5 -3.837 -17.523 4.154 37 HG3 ARG 5 HG3 ARG 5 -5.382 -17.992 4.855 38 HD2 ARG 5 HD2 ARG 5 -5.822 -15.496 5.224 39 HD3 ARG 5 HD3 ARG 5 -4.408 -15.193 4.205 40 HE ARG 5 HE ARG 5 -6.041 -16.935 2.800 41 HH11 ARG 5 HH11 ARG 5 -6.283 -13.641 3.893 42 HH12 ARG 5 HH12 ARG 5 -7.477 -13.243 2.710 43 HH21 ARG 5 HH21 ARG 5 -7.574 -16.396 1.342 44 HH22 ARG 5 HH22 ARG 5 -8.208 -14.786 1.294 45 H LYS 6 H LYS 6 -3.439 -15.410 8.796 46 HA LYS 6 HA LYS 6 -4.298 -12.784 8.027 47 HB2 LYS 6 HB2 LYS 6 -5.268 -13.895 9.998 48 HB3 LYS 6 HB3 LYS 6 -3.707 -13.888 10.812 49 HG2 LYS 6 HG2 LYS 6 -5.216 -12.110 11.670 50 HG3 LYS 6 HG3 LYS 6 -3.747 -11.443 10.963 51 HD2 LYS 6 HD2 LYS 6 -5.573 -10.040 10.238 52 HD3 LYS 6 HD3 LYS 6 -5.058 -10.976 8.837 53 HE2 LYS 6 HE2 LYS 6 -7.452 -10.973 8.808 54 HE3 LYS 6 HE3 LYS 6 -6.984 -12.584 9.364 55 HZ1 LYS 6 HZ1 LYS 6 -7.876 -10.318 11.053 56 HZ2 LYS 6 HZ2 LYS 6 -7.340 -11.805 11.643 57 HZ3 LYS 6 HZ3 LYS 6 -8.741 -11.725 10.711 58 H LYS 7 H LYS 7 -1.245 -14.057 9.372 59 HA LYS 7 HA LYS 7 0.107 -11.623 9.844 60 HB2 LYS 7 HB2 LYS 7 1.001 -14.463 9.379 61 HB3 LYS 7 HB3 LYS 7 2.223 -13.205 9.272 62 HG2 LYS 7 HG2 LYS 7 2.195 -14.201 11.495 63 HG3 LYS 7 HG3 LYS 7 1.759 -12.496 11.555 64 HD2 LYS 7 HD2 LYS 7 -0.658 -13.183 11.704 65 HD3 LYS 7 HD3 LYS 7 -0.125 -14.865 11.796 66 HE2 LYS 7 HE2 LYS 7 1.075 -14.406 13.880 67 HE3 LYS 7 HE3 LYS 7 0.682 -12.690 13.766 68 HZ1 LYS 7 HZ1 LYS 7 -0.783 -13.767 15.303 69 HZ2 LYS 7 HZ2 LYS 7 -1.247 -14.910 14.150 70 HZ3 LYS 7 HZ3 LYS 7 -1.668 -13.288 13.946 71 H LEU 8 H LEU 8 -0.343 -13.433 6.865 72 HA LEU 8 HA LEU 8 1.341 -12.050 5.087 73 HB2 LEU 8 HB2 LEU 8 -0.024 -14.190 4.723 74 HB3 LEU 8 HB3 LEU 8 -1.435 -13.185 4.478 75 HG LEU 8 HG LEU 8 1.040 -13.079 2.693 76 HD11 LEU 8 HD11 LEU 8 -0.201 -14.437 1.065 77 HD12 LEU 8 HD12 LEU 8 -1.531 -14.621 2.212 78 HD13 LEU 8 HD13 LEU 8 0.050 -15.319 2.571 79 HD21 LEU 8 HD21 LEU 8 -0.424 -11.971 1.053 80 HD22 LEU 8 HD22 LEU 8 -0.317 -11.040 2.541 81 HD23 LEU 8 HD23 LEU 8 -1.760 -11.999 2.209 82 H LEU 9 H LEU 9 -2.040 -11.448 6.032 83 HA LEU 9 HA LEU 9 -2.440 -9.043 4.560 84 HB2 LEU 9 HB2 LEU 9 -3.906 -9.949 7.070 85 HB3 LEU 9 HB3 LEU 9 -4.496 -8.828 5.852 86 HG LEU 9 HG LEU 9 -4.026 -11.810 5.447 87 HD11 LEU 9 HD11 LEU 9 -6.465 -11.999 5.264 88 HD12 LEU 9 HD12 LEU 9 -6.637 -10.277 5.611 89 HD13 LEU 9 HD13 LEU 9 -5.987 -11.366 6.840 90 HD21 LEU 9 HD21 LEU 9 -5.070 -11.534 3.223 91 HD22 LEU 9 HD22 LEU 9 -3.572 -10.616 3.349 92 HD23 LEU 9 HD23 LEU 9 -5.125 -9.785 3.459 93 H GLU 10 H GLU 10 -1.301 -9.703 7.839 94 HA GLU 10 HA GLU 10 -1.283 -7.044 8.840 95 HB2 GLU 10 HB2 GLU 10 0.197 -9.539 9.745 96 HB3 GLU 10 HB3 GLU 10 0.269 -8.012 10.620 97 HG2 GLU 10 HG2 GLU 10 -2.180 -8.099 10.981 98 HG3 GLU 10 HG3 GLU 10 -2.250 -9.634 10.114 99 H LYS 11 H LYS 11 1.071 -8.918 7.010 100 HA LYS 11 HA LYS 11 3.299 -7.171 7.219 101 HB2 LYS 11 HB2 LYS 11 3.536 -9.441 6.328 102 HB3 LYS 11 HB3 LYS 11 2.437 -9.085 5.005 103 HG2 LYS 11 HG2 LYS 11 4.737 -9.153 4.205 104 HG3 LYS 11 HG3 LYS 11 4.076 -7.525 4.032 105 HD2 LYS 11 HD2 LYS 11 5.284 -6.850 6.113 106 HD3 LYS 11 HD3 LYS 11 5.974 -8.472 6.219 107 HE2 LYS 11 HE2 LYS 11 7.156 -8.148 4.103 108 HE3 LYS 11 HE3 LYS 11 6.390 -6.574 3.875 109 HZ1 LYS 11 HZ1 LYS 11 7.516 -5.832 5.923 110 HZ2 LYS 11 HZ2 LYS 11 8.596 -6.267 4.696 111 HZ3 LYS 11 HZ3 LYS 11 8.327 -7.314 5.998 112 H LEU 12 H LEU 12 0.528 -7.266 4.983 113 HA LEU 12 HA LEU 12 1.202 -5.017 3.374 114 HB2 LEU 12 HB2 LEU 12 -0.462 -6.907 2.885 115 HB3 LEU 12 HB3 LEU 12 -1.595 -6.098 3.943 116 HG LEU 12 HG LEU 12 -1.956 -5.773 1.437 117 HD11 LEU 12 HD11 LEU 12 -2.576 -3.418 1.541 118 HD12 LEU 12 HD12 LEU 12 -1.628 -3.214 3.016 119 HD13 LEU 12 HD13 LEU 12 -3.043 -4.268 3.013 120 HD21 LEU 12 HD21 LEU 12 -0.592 -4.165 0.210 121 HD22 LEU 12 HD22 LEU 12 0.396 -5.520 0.754 122 HD23 LEU 12 HD23 LEU 12 0.487 -3.971 1.598 123 H GLU 13 H GLU 13 -0.698 -5.363 6.365 124 HA GLU 13 HA GLU 13 -1.642 -2.765 6.734 125 HB2 GLU 13 HB2 GLU 13 -0.712 -4.770 8.829 126 HB3 GLU 13 HB3 GLU 13 -1.617 -3.309 9.208 127 HG2 GLU 13 HG2 GLU 13 -2.615 -5.560 7.444 128 HG3 GLU 13 HG3 GLU 13 -3.006 -5.375 9.148 129 H LYS 14 H LYS 14 1.487 -4.137 7.833 130 HA LYS 14 HA LYS 14 2.535 -1.817 9.040 131 HB2 LYS 14 HB2 LYS 14 3.991 -4.117 7.678 132 HB3 LYS 14 HB3 LYS 14 4.796 -2.862 8.616 133 HG2 LYS 14 HG2 LYS 14 3.434 -3.580 10.620 134 HG3 LYS 14 HG3 LYS 14 2.826 -4.927 9.652 135 HD2 LYS 14 HD2 LYS 14 4.697 -5.685 11.047 136 HD3 LYS 14 HD3 LYS 14 5.162 -5.749 9.345 137 HE2 LYS 14 HE2 LYS 14 6.320 -3.541 9.637 138 HE3 LYS 14 HE3 LYS 14 5.930 -3.611 11.358 139 HZ1 LYS 14 HZ1 LYS 14 7.239 -5.629 11.531 140 HZ2 LYS 14 HZ2 LYS 14 8.174 -4.373 10.908 141 HZ3 LYS 14 HZ3 LYS 14 7.592 -5.577 9.881 142 H ILE 15 H ILE 15 2.543 -2.820 5.624 143 HA ILE 15 HA ILE 15 4.290 -0.784 4.641 144 HB ILE 15 HB ILE 15 2.068 -2.250 3.142 145 HG12 ILE 15 HG12 ILE 15 5.059 -2.902 3.258 146 HG13 ILE 15 HG13 ILE 15 3.808 -3.779 4.130 147 HG21 ILE 15 HG21 ILE 15 3.314 -1.633 1.073 148 HG22 ILE 15 HG22 ILE 15 4.439 -0.676 2.037 149 HG23 ILE 15 HG23 ILE 15 2.742 -0.208 1.939 150 HD11 ILE 15 HD11 ILE 15 4.078 -3.602 1.132 151 HD12 ILE 15 HD12 ILE 15 2.822 -4.485 2.009 152 HD13 ILE 15 HD13 ILE 15 4.510 -4.975 2.151 153 H LEU 16 H LEU 16 0.725 -0.951 4.994 154 HA LEU 16 HA LEU 16 0.034 1.532 3.845 155 HB2 LEU 16 HB2 LEU 16 -1.373 0.043 6.089 156 HB3 LEU 16 HB3 LEU 16 -2.078 1.356 5.156 157 HG LEU 16 HG LEU 16 -1.263 -1.336 4.046 158 HD11 LEU 16 HD11 LEU 16 -3.241 -1.520 5.491 159 HD12 LEU 16 HD12 LEU 16 -3.668 -1.789 3.803 160 HD13 LEU 16 HD13 LEU 16 -4.038 -0.239 4.568 161 HD21 LEU 16 HD21 LEU 16 -1.025 0.382 2.343 162 HD22 LEU 16 HD22 LEU 16 -2.681 0.921 2.635 163 HD23 LEU 16 HD23 LEU 16 -2.376 -0.688 1.976 164 H ASP 17 H ASP 17 0.653 0.704 7.230 165 HA ASP 17 HA ASP 17 0.290 3.287 8.333 166 HB2 ASP 17 HB2 ASP 17 1.727 0.807 9.356 167 HB3 ASP 17 HB3 ASP 17 1.503 2.261 10.325 168 H GLU 18 H GLU 18 3.058 1.712 6.864 169 HA GLU 18 HA GLU 18 5.059 3.621 7.710 170 HB2 GLU 18 HB2 GLU 18 5.534 1.194 7.123 171 HB3 GLU 18 HB3 GLU 18 5.208 1.577 5.438 172 HG2 GLU 18 HG2 GLU 18 7.593 1.546 5.752 173 HG3 GLU 18 HG3 GLU 18 7.105 3.222 5.498 174 H VAL 19 H VAL 19 3.080 3.150 4.764 175 HA VAL 19 HA VAL 19 4.468 5.140 3.215 176 HB VAL 19 HB VAL 19 3.388 3.272 2.047 177 HG11 VAL 19 HG11 VAL 19 1.432 2.913 3.432 178 HG12 VAL 19 HG12 VAL 19 0.947 3.138 1.752 179 HG13 VAL 19 HG13 VAL 19 0.741 4.451 2.917 180 HG21 VAL 19 HG21 VAL 19 3.768 5.344 0.783 181 HG22 VAL 19 HG22 VAL 19 2.187 5.966 1.265 182 HG23 VAL 19 HG23 VAL 19 2.298 4.552 0.212 183 H THR 20 H THR 20 1.474 5.142 5.130 184 HA THR 20 HA THR 20 0.609 7.775 4.529 185 HB THR 20 HB THR 20 -0.656 7.681 6.686 186 HG1 THR 20 HG1 THR 20 0.601 5.145 7.071 187 HG21 THR 20 HG21 THR 20 -0.812 5.070 5.119 188 HG22 THR 20 HG22 THR 20 -1.646 6.570 4.700 189 HG23 THR 20 HG23 THR 20 -2.064 5.713 6.184 190 H ASP 21 H ASP 21 3.110 6.574 6.700 191 HA ASP 21 HA ASP 21 3.674 9.121 7.951 192 HB2 ASP 21 HB2 ASP 21 4.143 6.931 9.060 193 HB3 ASP 21 HB3 ASP 21 5.363 6.579 7.841 194 H GLY 22 H GLY 22 5.234 7.175 5.358 195 HA2 GLY 22 HA2 GLY 22 7.230 9.237 4.763 196 HA3 GLY 22 HA3 GLY 22 7.100 7.650 4.029 197 H ALA 23 H ALA 23 4.177 9.393 4.080 198 HA ALA 23 HA ALA 23 3.997 9.687 1.234 199 HB1 ALA 23 HB1 ALA 23 2.075 9.069 2.636 200 HB2 ALA 23 HB2 ALA 23 1.738 10.541 1.724 201 HB3 ALA 23 HB3 ALA 23 2.140 10.634 3.444 202 HA PRO 24 HA PRO 24 4.567 14.289 0.996 203 HB2 PRO 24 HB2 PRO 24 2.929 14.697 -1.216 204 HB3 PRO 24 HB3 PRO 24 4.637 14.255 -1.320 205 HG2 PRO 24 HG2 PRO 24 2.208 12.501 -1.555 206 HG3 PRO 24 HG3 PRO 24 3.709 12.468 -2.500 207 HD2 PRO 24 HD2 PRO 24 3.220 10.697 -0.496 208 HD3 PRO 24 HD3 PRO 24 4.859 11.275 -0.863 209 H ASP 25 H ASP 25 3.181 16.018 1.647 210 HA ASP 25 HA ASP 25 1.569 15.273 3.765 211 HB2 ASP 25 HB2 ASP 25 2.801 17.380 3.664 212 HB3 ASP 25 HB3 ASP 25 1.763 17.963 2.369 213 H GLU 26 H GLU 26 0.364 16.713 0.718 214 HA GLU 26 HA GLU 26 -2.412 16.597 1.563 215 HB2 GLU 26 HB2 GLU 26 -2.974 17.706 -0.512 216 HB3 GLU 26 HB3 GLU 26 -1.568 18.497 0.178 217 HG2 GLU 26 HG2 GLU 26 -1.551 16.554 -2.152 218 HG3 GLU 26 HG3 GLU 26 -1.421 18.305 -2.266 219 H ALA 27 H ALA 27 -0.308 14.632 -0.494 220 HA ALA 27 HA ALA 27 -2.393 13.001 -1.626 221 HB1 ALA 27 HB1 ALA 27 -0.601 11.525 -2.397 222 HB2 ALA 27 HB2 ALA 27 0.562 12.367 -1.368 223 HB3 ALA 27 HB3 ALA 27 -0.189 13.214 -2.722 224 H ARG 28 H ARG 28 -0.695 13.014 1.408 225 HA ARG 28 HA ARG 28 -0.838 10.407 2.331 226 HB2 ARG 28 HB2 ARG 28 0.275 12.246 3.545 227 HB3 ARG 28 HB3 ARG 28 -1.286 12.978 3.902 228 HG2 ARG 28 HG2 ARG 28 -1.878 10.936 5.244 229 HG3 ARG 28 HG3 ARG 28 -0.248 10.324 4.958 230 HD2 ARG 28 HD2 ARG 28 -0.971 12.880 6.439 231 HD3 ARG 28 HD3 ARG 28 -0.408 11.373 7.165 232 HE ARG 28 HE ARG 28 1.744 11.723 6.117 233 HH11 ARG 28 HH11 ARG 28 -0.300 14.513 6.138 234 HH12 ARG 28 HH12 ARG 28 1.020 15.604 5.949 235 HH21 ARG 28 HH21 ARG 28 3.396 13.151 5.888 236 HH22 ARG 28 HH22 ARG 28 3.074 14.847 5.812 237 H GLU 29 H GLU 29 -3.394 12.897 2.424 238 HA GLU 29 HA GLU 29 -5.361 11.485 3.843 239 HB2 GLU 29 HB2 GLU 29 -5.734 13.581 1.669 240 HB3 GLU 29 HB3 GLU 29 -6.986 13.057 2.796 241 HG2 GLU 29 HG2 GLU 29 -5.628 13.900 4.698 242 HG3 GLU 29 HG3 GLU 29 -4.386 14.434 3.565 243 H ARG 30 H ARG 30 -4.709 11.528 0.324 244 HA ARG 30 HA ARG 30 -6.771 9.788 -0.525 245 HB2 ARG 30 HB2 ARG 30 -5.418 11.085 -2.126 246 HB3 ARG 30 HB3 ARG 30 -3.978 10.180 -1.684 247 HG2 ARG 30 HG2 ARG 30 -5.036 8.103 -2.614 248 HG3 ARG 30 HG3 ARG 30 -6.424 9.071 -3.120 249 HD2 ARG 30 HD2 ARG 30 -4.840 10.466 -4.509 250 HD3 ARG 30 HD3 ARG 30 -3.560 9.319 -4.106 251 HE ARG 30 HE ARG 30 -5.239 7.625 -5.170 252 HH11 ARG 30 HH11 ARG 30 -4.774 10.868 -6.311 253 HH12 ARG 30 HH12 ARG 30 -5.047 10.431 -7.958 254 HH21 ARG 30 HH21 ARG 30 -5.575 7.126 -7.305 255 HH22 ARG 30 HH22 ARG 30 -5.465 8.357 -8.514 256 H ILE 31 H ILE 31 -3.459 9.145 0.598 257 HA ILE 31 HA ILE 31 -3.442 6.336 0.213 258 HB ILE 31 HB ILE 31 -1.775 7.847 2.281 259 HG12 ILE 31 HG12 ILE 31 -1.272 7.460 -0.695 260 HG13 ILE 31 HG13 ILE 31 -1.479 8.980 0.149 261 HG21 ILE 31 HG21 ILE 31 -0.146 6.011 1.993 262 HG22 ILE 31 HG22 ILE 31 -1.211 5.227 0.826 263 HG23 ILE 31 HG23 ILE 31 -1.709 5.376 2.512 264 HD11 ILE 31 HD11 ILE 31 0.644 8.558 1.335 265 HD12 ILE 31 HD12 ILE 31 0.809 8.690 -0.414 266 HD13 ILE 31 HD13 ILE 31 0.860 7.106 0.356 267 H GLU 32 H GLU 32 -4.445 8.332 2.983 268 HA GLU 32 HA GLU 32 -4.687 6.183 4.871 269 HB2 GLU 32 HB2 GLU 32 -5.831 9.005 4.867 270 HB3 GLU 32 HB3 GLU 32 -5.960 7.900 6.236 271 HG2 GLU 32 HG2 GLU 32 -3.517 7.859 6.475 272 HG3 GLU 32 HG3 GLU 32 -3.341 8.881 5.048 273 H LYS 33 H LYS 33 -7.007 7.864 2.745 274 HA LYS 33 HA LYS 33 -9.331 6.397 3.526 275 HB2 LYS 33 HB2 LYS 33 -8.721 7.836 0.910 276 HB3 LYS 33 HB3 LYS 33 -10.313 7.242 1.383 277 HG2 LYS 33 HG2 LYS 33 -10.320 8.785 3.317 278 HG3 LYS 33 HG3 LYS 33 -8.725 9.377 2.842 279 HD2 LYS 33 HD2 LYS 33 -9.708 10.162 0.671 280 HD3 LYS 33 HD3 LYS 33 -11.300 9.653 1.245 281 HE2 LYS 33 HE2 LYS 33 -11.071 11.241 3.162 282 HE3 LYS 33 HE3 LYS 33 -9.533 11.787 2.492 283 HZ1 LYS 33 HZ1 LYS 33 -11.232 13.298 1.843 284 HZ2 LYS 33 HZ2 LYS 33 -12.215 12.056 1.257 285 HZ3 LYS 33 HZ3 LYS 33 -10.774 12.433 0.464 286 H LEU 34 H LEU 34 -6.863 5.905 1.039 287 HA LEU 34 HA LEU 34 -8.038 3.665 -0.266 288 HB2 LEU 34 HB2 LEU 34 -5.779 5.325 -0.687 289 HB3 LEU 34 HB3 LEU 34 -5.083 3.747 -0.397 290 HG LEU 34 HG LEU 34 -6.549 2.831 -2.249 291 HD11 LEU 34 HD11 LEU 34 -7.579 4.417 -3.839 292 HD12 LEU 34 HD12 LEU 34 -7.166 5.764 -2.774 293 HD13 LEU 34 HD13 LEU 34 -8.315 4.534 -2.242 294 HD21 LEU 34 HD21 LEU 34 -4.188 3.366 -2.665 295 HD22 LEU 34 HD22 LEU 34 -4.605 5.043 -3.031 296 HD23 LEU 34 HD23 LEU 34 -5.164 3.740 -4.084 297 H ALA 35 H ALA 35 -5.648 4.015 2.320 298 HA ALA 35 HA ALA 35 -4.886 1.301 2.631 299 HB1 ALA 35 HB1 ALA 35 -3.498 3.163 3.468 300 HB2 ALA 35 HB2 ALA 35 -3.868 2.027 4.763 301 HB3 ALA 35 HB3 ALA 35 -4.731 3.567 4.665 302 H LYS 36 H LYS 36 -7.140 3.375 4.449 303 HA LYS 36 HA LYS 36 -8.031 1.483 6.337 304 HB2 LYS 36 HB2 LYS 36 -8.298 3.989 6.459 305 HB3 LYS 36 HB3 LYS 36 -9.581 3.877 5.259 306 HG2 LYS 36 HG2 LYS 36 -10.947 2.538 6.819 307 HG3 LYS 36 HG3 LYS 36 -9.639 2.572 8.011 308 HD2 LYS 36 HD2 LYS 36 -9.824 5.085 8.058 309 HD3 LYS 36 HD3 LYS 36 -11.221 4.962 6.984 310 HE2 LYS 36 HE2 LYS 36 -12.424 3.660 8.709 311 HE3 LYS 36 HE3 LYS 36 -11.021 3.778 9.775 312 HZ1 LYS 36 HZ1 LYS 36 -12.760 5.421 10.264 313 HZ2 LYS 36 HZ2 LYS 36 -12.542 6.107 8.736 314 HZ3 LYS 36 HZ3 LYS 36 -11.284 6.142 9.868 315 H ASP 37 H ASP 37 -9.305 2.391 3.133 316 HA ASP 37 HA ASP 37 -11.554 0.719 2.980 317 HB2 ASP 37 HB2 ASP 37 -10.791 2.551 1.346 318 HB3 ASP 37 HB3 ASP 37 -9.674 1.381 0.660 319 H VAL 38 H VAL 38 -8.186 0.065 1.911 320 HA VAL 38 HA VAL 38 -8.479 -2.646 1.208 321 HB VAL 38 HB VAL 38 -5.981 -1.137 2.130 322 HG11 VAL 38 HG11 VAL 38 -4.630 -2.941 1.086 323 HG12 VAL 38 HG12 VAL 38 -6.104 -3.874 0.798 324 HG13 VAL 38 HG13 VAL 38 -5.579 -3.538 2.447 325 HG21 VAL 38 HG21 VAL 38 -6.908 -1.871 -0.683 326 HG22 VAL 38 HG22 VAL 38 -5.424 -1.004 -0.272 327 HG23 VAL 38 HG23 VAL 38 -6.991 -0.265 0.044 328 H LYS 39 H LYS 39 -7.970 -1.187 4.416 329 HA LYS 39 HA LYS 39 -7.274 -3.586 5.822 330 HB2 LYS 39 HB2 LYS 39 -8.486 -0.974 6.839 331 HB3 LYS 39 HB3 LYS 39 -7.913 -2.268 7.892 332 HG2 LYS 39 HG2 LYS 39 -5.635 -2.002 7.000 333 HG3 LYS 39 HG3 LYS 39 -6.199 -0.736 5.916 334 HD2 LYS 39 HD2 LYS 39 -6.757 0.694 7.851 335 HD3 LYS 39 HD3 LYS 39 -6.241 -0.585 8.956 336 HE2 LYS 39 HE2 LYS 39 -4.458 0.845 6.952 337 HE3 LYS 39 HE3 LYS 39 -4.501 1.148 8.690 338 HZ1 LYS 39 HZ1 LYS 39 -3.672 -1.388 7.372 339 HZ2 LYS 39 HZ2 LYS 39 -3.795 -1.160 9.041 340 HZ3 LYS 39 HZ3 LYS 39 -2.658 -0.277 8.155 341 H ASP 40 H ASP 40 -10.386 -1.946 5.235 342 HA ASP 40 HA ASP 40 -12.046 -3.776 6.675 343 HB2 ASP 40 HB2 ASP 40 -12.818 -1.992 4.326 344 HB3 ASP 40 HB3 ASP 40 -13.921 -2.699 5.504 345 H GLU 41 H GLU 41 -11.008 -3.575 3.292 346 HA GLU 41 HA GLU 41 -12.337 -5.798 2.210 347 HB2 GLU 41 HB2 GLU 41 -9.679 -4.494 1.506 348 HB3 GLU 41 HB3 GLU 41 -10.407 -5.758 0.524 349 HG2 GLU 41 HG2 GLU 41 -11.768 -3.122 1.145 350 HG3 GLU 41 HG3 GLU 41 -10.789 -3.416 -0.292 351 H LEU 42 H LEU 42 -9.136 -5.571 3.734 352 HA LEU 42 HA LEU 42 -8.403 -8.309 3.567 353 HB2 LEU 42 HB2 LEU 42 -7.374 -5.886 4.976 354 HB3 LEU 42 HB3 LEU 42 -6.934 -7.412 5.713 355 HG LEU 42 HG LEU 42 -5.726 -8.127 3.736 356 HD11 LEU 42 HD11 LEU 42 -6.649 -5.602 2.333 357 HD12 LEU 42 HD12 LEU 42 -7.156 -7.250 1.958 358 HD13 LEU 42 HD13 LEU 42 -5.482 -6.770 1.708 359 HD21 LEU 42 HD21 LEU 42 -5.003 -5.244 4.375 360 HD22 LEU 42 HD22 LEU 42 -3.931 -6.457 3.667 361 HD23 LEU 42 HD23 LEU 42 -4.525 -6.663 5.313 362 H GLU 43 H GLU 43 -10.622 -6.698 5.660 363 HA GLU 43 HA GLU 43 -10.660 -8.814 7.672 364 HB2 GLU 43 HB2 GLU 43 -11.047 -6.464 8.335 365 HB3 GLU 43 HB3 GLU 43 -12.481 -6.400 7.316 366 HG2 GLU 43 HG2 GLU 43 -13.655 -7.968 8.718 367 HG3 GLU 43 HG3 GLU 43 -12.194 -8.344 9.631 368 H GLU 44 H GLU 44 -12.736 -7.745 4.942 369 HA GLU 44 HA GLU 44 -14.179 -10.306 4.979 370 HB2 GLU 44 HB2 GLU 44 -15.453 -8.829 6.525 371 HB3 GLU 44 HB3 GLU 44 -15.641 -7.649 5.239 372 HG2 GLU 44 HG2 GLU 44 -17.710 -8.851 5.470 373 HG3 GLU 44 HG3 GLU 44 -16.975 -9.324 3.939 374 H GLY 45 H GLY 45 -13.506 -7.277 3.282 375 HA2 GLY 45 HA2 GLY 45 -15.127 -7.722 0.972 376 HA3 GLY 45 HA3 GLY 45 -13.819 -6.564 1.119 377 H ASP 46 H ASP 46 -13.508 -7.118 -1.156 378 HA ASP 46 HA ASP 46 -12.835 -9.697 -2.111 379 HB2 ASP 46 HB2 ASP 46 -13.715 -7.805 -3.493 380 HB3 ASP 46 HB3 ASP 46 -12.159 -6.989 -3.320 381 H ALA 47 H ALA 47 -10.755 -6.933 -1.189 382 HA ALA 47 HA ALA 47 -8.839 -6.857 0.001 383 HB1 ALA 47 HB1 ALA 47 -8.906 -9.886 0.114 384 HB2 ALA 47 HB2 ALA 47 -9.720 -8.800 1.237 385 HB3 ALA 47 HB3 ALA 47 -7.959 -8.816 1.154 386 H LYS 48 H LYS 48 -8.171 -9.817 -1.998 387 HA LYS 48 HA LYS 48 -5.405 -9.238 -2.196 388 HB2 LYS 48 HB2 LYS 48 -6.512 -11.516 -2.383 389 HB3 LYS 48 HB3 LYS 48 -6.966 -11.112 -4.028 390 HG2 LYS 48 HG2 LYS 48 -4.060 -11.051 -3.169 391 HG3 LYS 48 HG3 LYS 48 -4.838 -12.573 -3.589 392 HD2 LYS 48 HD2 LYS 48 -5.287 -11.766 -5.859 393 HD3 LYS 48 HD3 LYS 48 -4.657 -10.170 -5.448 394 HE2 LYS 48 HE2 LYS 48 -2.419 -11.123 -5.100 395 HE3 LYS 48 HE3 LYS 48 -3.033 -12.737 -5.457 396 HZ1 LYS 48 HZ1 LYS 48 -1.934 -11.809 -7.371 397 HZ2 LYS 48 HZ2 LYS 48 -2.931 -10.445 -7.344 398 HZ3 LYS 48 HZ3 LYS 48 -3.584 -11.961 -7.693 399 H ASN 49 H ASN 49 -7.992 -8.859 -4.642 400 HA ASN 49 HA ASN 49 -6.465 -7.656 -6.690 401 HB2 ASN 49 HB2 ASN 49 -8.720 -8.575 -7.059 402 HB3 ASN 49 HB3 ASN 49 -9.417 -7.365 -5.995 403 HD21 ASN 49 HD21 ASN 49 -10.807 -6.598 -7.591 404 HD22 ASN 49 HD22 ASN 49 -10.255 -5.693 -8.957 405 H MET 50 H MET 50 -8.075 -6.307 -3.848 406 HA MET 50 HA MET 50 -7.701 -3.541 -4.392 407 HB2 MET 50 HB2 MET 50 -8.355 -5.120 -1.897 408 HB3 MET 50 HB3 MET 50 -8.058 -3.387 -1.798 409 HG2 MET 50 HG2 MET 50 -10.113 -4.566 -3.681 410 HG3 MET 50 HG3 MET 50 -10.488 -4.098 -2.022 411 HE1 MET 50 HE1 MET 50 -9.837 -0.250 -2.026 412 HE2 MET 50 HE2 MET 50 -8.629 -1.474 -1.636 413 HE3 MET 50 HE3 MET 50 -10.290 -1.667 -1.070 414 H ILE 51 H ILE 51 -5.557 -5.918 -2.899 415 HA ILE 51 HA ILE 51 -3.536 -4.139 -1.977 416 HB ILE 51 HB ILE 51 -3.292 -6.994 -3.041 417 HG12 ILE 51 HG12 ILE 51 -3.433 -6.011 -0.142 418 HG13 ILE 51 HG13 ILE 51 -4.777 -6.721 -1.028 419 HG21 ILE 51 HG21 ILE 51 -1.110 -7.133 -1.860 420 HG22 ILE 51 HG22 ILE 51 -1.222 -5.421 -1.449 421 HG23 ILE 51 HG23 ILE 51 -1.082 -5.916 -3.136 422 HD11 ILE 51 HD11 ILE 51 -2.206 -8.118 -0.318 423 HD12 ILE 51 HD12 ILE 51 -3.562 -8.826 -1.200 424 HD13 ILE 51 HD13 ILE 51 -3.768 -8.318 0.476 425 H GLU 52 H GLU 52 -4.121 -5.678 -5.118 426 HA GLU 52 HA GLU 52 -1.912 -4.509 -6.530 427 HB2 GLU 52 HB2 GLU 52 -4.475 -5.794 -7.566 428 HB3 GLU 52 HB3 GLU 52 -3.042 -5.451 -8.535 429 HG2 GLU 52 HG2 GLU 52 -1.721 -7.060 -7.278 430 HG3 GLU 52 HG3 GLU 52 -3.028 -7.304 -6.126 431 H LYS 53 H LYS 53 -5.243 -3.506 -5.933 432 HA LYS 53 HA LYS 53 -5.392 -1.329 -7.804 433 HB2 LYS 53 HB2 LYS 53 -6.911 -1.850 -5.207 434 HB3 LYS 53 HB3 LYS 53 -7.280 -0.508 -6.283 435 HG2 LYS 53 HG2 LYS 53 -7.460 -3.439 -7.042 436 HG3 LYS 53 HG3 LYS 53 -8.822 -2.428 -6.550 437 HD2 LYS 53 HD2 LYS 53 -8.431 -0.948 -8.483 438 HD3 LYS 53 HD3 LYS 53 -7.054 -1.935 -8.976 439 HE2 LYS 53 HE2 LYS 53 -8.524 -3.838 -9.399 440 HE3 LYS 53 HE3 LYS 53 -9.913 -2.934 -8.786 441 HZ1 LYS 53 HZ1 LYS 53 -9.664 -1.370 -10.599 442 HZ2 LYS 53 HZ2 LYS 53 -9.840 -2.940 -11.202 443 HZ3 LYS 53 HZ3 LYS 53 -8.315 -2.205 -11.185 444 H PHE 54 H PHE 54 -4.596 -1.562 -4.369 445 HA PHE 54 HA PHE 54 -3.966 1.122 -3.859 446 HB2 PHE 54 HB2 PHE 54 -4.343 -0.586 -2.062 447 HB3 PHE 54 HB3 PHE 54 -2.823 -1.367 -2.499 448 HD1 PHE 54 HD2 PHE 54 -4.322 1.696 -1.026 449 HD2 PHE 54 HD1 PHE 54 -0.671 -0.417 -1.772 450 HE1 PHE 54 HE2 PHE 54 -3.119 3.246 0.444 451 HE2 PHE 54 HE1 PHE 54 0.523 1.151 -0.308 452 HZ PHE 54 HZ PHE 54 -0.690 2.969 0.801 453 H ARG 55 H ARG 55 -1.985 -1.621 -4.926 454 HA ARG 55 HA ARG 55 0.570 -0.478 -5.000 455 HB2 ARG 55 HB2 ARG 55 0.325 -2.861 -5.173 456 HB3 ARG 55 HB3 ARG 55 -0.741 -2.742 -6.554 457 HG2 ARG 55 HG2 ARG 55 2.059 -1.745 -6.930 458 HG3 ARG 55 HG3 ARG 55 1.854 -3.483 -6.748 459 HD2 ARG 55 HD2 ARG 55 1.078 -3.702 -8.869 460 HD3 ARG 55 HD3 ARG 55 -0.089 -2.397 -8.659 461 HE ARG 55 HE ARG 55 2.719 -1.713 -9.180 462 HH11 ARG 55 HH11 ARG 55 -0.535 -1.824 -10.336 463 HH12 ARG 55 HH12 ARG 55 -0.211 -0.804 -11.686 464 HH21 ARG 55 HH21 ARG 55 3.114 -0.418 -10.959 465 HH22 ARG 55 HH22 ARG 55 1.818 -0.030 -12.033 466 H ASP 56 H ASP 56 -2.024 -0.403 -7.418 467 HA ASP 56 HA ASP 56 -0.531 0.671 -9.581 468 HB2 ASP 56 HB2 ASP 56 -2.694 -0.508 -9.832 469 HB3 ASP 56 HB3 ASP 56 -3.523 0.809 -9.008 470 H GLU 57 H GLU 57 -2.774 2.274 -7.279 471 HA GLU 57 HA GLU 57 -2.180 4.943 -8.133 472 HB2 GLU 57 HB2 GLU 57 -3.525 3.889 -5.616 473 HB3 GLU 57 HB3 GLU 57 -3.427 5.601 -6.033 474 HG2 GLU 57 HG2 GLU 57 -4.713 5.215 -8.079 475 HG3 GLU 57 HG3 GLU 57 -4.756 3.484 -7.753 476 H MET 58 H MET 58 -0.783 2.840 -5.658 477 HA MET 58 HA MET 58 0.786 4.625 -4.204 478 HB2 MET 58 HB2 MET 58 0.487 2.290 -3.519 479 HB3 MET 58 HB3 MET 58 1.348 1.722 -4.945 480 HG2 MET 58 HG2 MET 58 2.734 1.619 -2.920 481 HG3 MET 58 HG3 MET 58 3.411 2.723 -4.124 482 HE1 MET 58 HE1 MET 58 4.510 4.724 -1.094 483 HE2 MET 58 HE2 MET 58 4.855 4.323 -2.778 484 HE3 MET 58 HE3 MET 58 4.727 3.037 -1.571 485 H GLU 59 H GLU 59 1.684 2.761 -7.108 486 HA GLU 59 HA GLU 59 4.240 3.841 -7.539 487 HB2 GLU 59 HB2 GLU 59 3.345 1.795 -8.654 488 HB3 GLU 59 HB3 GLU 59 2.250 2.799 -9.601 489 HG2 GLU 59 HG2 GLU 59 4.259 3.952 -10.587 490 HG3 GLU 59 HG3 GLU 59 5.286 2.799 -9.741 491 H GLN 60 H GLN 60 1.034 4.933 -8.617 492 HA GLN 60 HA GLN 60 1.755 6.968 -10.416 493 HB2 GLN 60 HB2 GLN 60 -0.528 6.064 -10.265 494 HB3 GLN 60 HB3 GLN 60 -0.711 6.728 -8.646 495 HG2 GLN 60 HG2 GLN 60 -0.501 9.034 -9.621 496 HG3 GLN 60 HG3 GLN 60 -0.453 8.306 -11.227 497 HE21 GLN 60 HE21 GLN 60 -2.334 9.336 -11.902 498 HE22 GLN 60 HE22 GLN 60 -3.900 8.925 -11.299 499 H MET 61 H MET 61 0.985 7.250 -6.895 500 HA MET 61 HA MET 61 1.454 10.112 -6.885 501 HB2 MET 61 HB2 MET 61 0.985 9.964 -4.417 502 HB3 MET 61 HB3 MET 61 -0.303 9.381 -5.453 503 HG2 MET 61 HG2 MET 61 0.626 7.030 -5.010 504 HG3 MET 61 HG3 MET 61 1.550 7.782 -3.705 505 HE1 MET 61 HE1 MET 61 -0.815 5.423 -3.581 506 HE2 MET 61 HE2 MET 61 -1.625 5.883 -2.085 507 HE3 MET 61 HE3 MET 61 0.135 5.873 -2.160 508 H TYR 62 H TYR 62 3.392 7.287 -6.183 509 HA TYR 62 HA TYR 62 5.625 8.648 -5.040 510 HB2 TYR 62 HB2 TYR 62 5.623 6.247 -4.851 511 HB3 TYR 62 HB3 TYR 62 5.412 6.031 -6.588 512 HD1 TYR 62 HD1 TYR 62 7.874 7.560 -4.158 513 HD2 TYR 62 HD2 TYR 62 7.335 5.501 -7.868 514 HE1 TYR 62 HE1 TYR 62 10.306 7.502 -4.483 515 HE2 TYR 62 HE2 TYR 62 9.765 5.439 -8.184 516 HH TYR 62 HH TYR 62 11.990 6.273 -5.718 517 H LYS 63 H LYS 63 4.775 7.874 -8.443 518 HA LYS 63 HA LYS 63 7.026 9.158 -9.630 519 HB2 LYS 63 HB2 LYS 63 4.307 8.398 -10.757 520 HB3 LYS 63 HB3 LYS 63 5.574 9.124 -11.743 521 HG2 LYS 63 HG2 LYS 63 7.051 7.212 -11.315 522 HG3 LYS 63 HG3 LYS 63 5.836 6.489 -10.254 523 HD2 LYS 63 HD2 LYS 63 4.295 6.208 -12.128 524 HD3 LYS 63 HD3 LYS 63 5.393 7.071 -13.209 525 HE2 LYS 63 HE2 LYS 63 7.044 5.280 -13.017 526 HE3 LYS 63 HE3 LYS 63 6.033 4.440 -11.838 527 HZ1 LYS 63 HZ1 LYS 63 4.367 4.085 -13.520 528 HZ2 LYS 63 HZ2 LYS 63 5.855 3.514 -14.088 529 HZ3 LYS 63 HZ3 LYS 63 5.248 4.985 -14.652 530 H ASP 64 H ASP 64 3.951 10.375 -8.487 531 HA ASP 64 HA ASP 64 4.071 12.929 -9.804 532 HB2 ASP 64 HB2 ASP 64 1.962 11.740 -8.979 533 HB3 ASP 64 HB3 ASP 64 2.427 12.197 -7.345 534 H ALA 65 H ALA 65 4.791 11.787 -6.487 535 HA ALA 65 HA ALA 65 6.700 14.011 -6.122 536 HB1 ALA 65 HB1 ALA 65 4.634 14.701 -4.968 537 HB2 ALA 65 HB2 ALA 65 5.945 14.412 -3.822 538 HB3 ALA 65 HB3 ALA 65 4.662 13.213 -4.017 539 HA PRO 66 HA PRO 66 8.661 9.912 -5.245 540 HB2 PRO 66 HB2 PRO 66 11.198 10.568 -6.052 541 HB3 PRO 66 HB3 PRO 66 9.904 10.138 -7.178 542 HG2 PRO 66 HG2 PRO 66 10.882 12.878 -6.384 543 HG3 PRO 66 HG3 PRO 66 10.508 12.249 -8.005 544 HD2 PRO 66 HD2 PRO 66 8.758 13.801 -6.608 545 HD3 PRO 66 HD3 PRO 66 8.209 12.526 -7.719 546 H ASN 67 H ASN 67 8.836 9.543 -3.109 547 HA ASN 67 HA ASN 67 10.834 11.019 -1.474 548 HB2 ASN 67 HB2 ASN 67 8.560 9.193 -0.571 549 HB3 ASN 67 HB3 ASN 67 9.684 10.014 0.501 550 HD21 ASN 67 HD21 ASN 67 6.993 10.447 -1.695 551 HD22 ASN 67 HD22 ASN 67 6.572 12.026 -1.149 552 H ALA 68 H ALA 68 12.170 9.689 0.013 553 HA ALA 68 HA ALA 68 13.661 7.777 -1.447 554 HB1 ALA 68 HB1 ALA 68 13.841 8.474 1.500 555 HB2 ALA 68 HB2 ALA 68 14.667 9.310 0.184 556 HB3 ALA 68 HB3 ALA 68 15.078 7.635 0.557 557 H VAL 69 H VAL 69 11.967 7.229 1.698 558 HA VAL 69 HA VAL 69 12.156 4.394 1.607 559 HB VAL 69 HB VAL 69 11.808 5.738 3.713 560 HG11 VAL 69 HG11 VAL 69 10.049 7.274 2.939 561 HG12 VAL 69 HG12 VAL 69 9.551 6.429 4.403 562 HG13 VAL 69 HG13 VAL 69 8.902 5.934 2.837 563 HG21 VAL 69 HG21 VAL 69 9.806 3.473 3.300 564 HG22 VAL 69 HG22 VAL 69 10.372 4.069 4.863 565 HG23 VAL 69 HG23 VAL 69 11.504 3.295 3.755 566 H MET 70 H MET 70 9.858 6.613 0.226 567 HA MET 70 HA MET 70 7.579 4.972 -0.076 568 HB2 MET 70 HB2 MET 70 7.793 7.529 -0.307 569 HB3 MET 70 HB3 MET 70 8.390 7.247 -1.934 570 HG2 MET 70 HG2 MET 70 6.274 6.261 -2.584 571 HG3 MET 70 HG3 MET 70 5.684 6.355 -0.923 572 HE1 MET 70 HE1 MET 70 3.509 7.646 -1.331 573 HE2 MET 70 HE2 MET 70 3.778 7.450 -3.066 574 HE3 MET 70 HE3 MET 70 3.366 9.033 -2.412 575 H GLU 71 H GLU 71 10.470 5.349 -2.063 576 HA GLU 71 HA GLU 71 9.751 3.774 -4.322 577 HB2 GLU 71 HB2 GLU 71 11.675 5.322 -4.250 578 HB3 GLU 71 HB3 GLU 71 12.468 4.342 -3.035 579 HG2 GLU 71 HG2 GLU 71 11.856 3.177 -5.756 580 HG3 GLU 71 HG3 GLU 71 13.248 4.226 -5.543 581 H GLN 72 H GLN 72 11.436 2.952 -1.301 582 HA GLN 72 HA GLN 72 11.900 0.213 -1.746 583 HB2 GLN 72 HB2 GLN 72 11.453 1.635 0.914 584 HB3 GLN 72 HB3 GLN 72 12.230 0.066 0.704 585 HG2 GLN 72 HG2 GLN 72 14.082 1.095 -0.504 586 HG3 GLN 72 HG3 GLN 72 13.295 2.674 -0.432 587 HE21 GLN 72 HE21 GLN 72 15.920 1.836 0.589 588 HE22 GLN 72 HE22 GLN 72 15.907 2.201 2.281 589 H LEU 73 H LEU 73 9.074 1.911 -0.557 590 HA LEU 73 HA LEU 73 7.564 -0.344 0.319 591 HB2 LEU 73 HB2 LEU 73 6.728 2.469 -0.448 592 HB3 LEU 73 HB3 LEU 73 5.635 1.286 0.262 593 HG LEU 73 HG LEU 73 8.178 2.254 1.630 594 HD11 LEU 73 HD11 LEU 73 6.782 3.642 3.075 595 HD12 LEU 73 HD12 LEU 73 5.352 3.202 2.142 596 HD13 LEU 73 HD13 LEU 73 6.641 4.142 1.390 597 HD21 LEU 73 HD21 LEU 73 7.236 1.230 3.653 598 HD22 LEU 73 HD22 LEU 73 7.438 0.030 2.380 599 HD23 LEU 73 HD23 LEU 73 5.831 0.669 2.740 600 H LEU 74 H LEU 74 7.822 1.284 -2.869 601 HA LEU 74 HA LEU 74 5.840 -0.200 -4.219 602 HB2 LEU 74 HB2 LEU 74 8.318 1.223 -5.120 603 HB3 LEU 74 HB3 LEU 74 7.639 0.053 -6.237 604 HG LEU 74 HG LEU 74 5.446 1.309 -6.135 605 HD11 LEU 74 HD11 LEU 74 5.397 3.598 -5.283 606 HD12 LEU 74 HD12 LEU 74 7.039 3.420 -4.658 607 HD13 LEU 74 HD13 LEU 74 5.726 2.446 -3.990 608 HD21 LEU 74 HD21 LEU 74 6.141 3.129 -7.634 609 HD22 LEU 74 HD22 LEU 74 6.990 1.636 -8.019 610 HD23 LEU 74 HD23 LEU 74 7.824 2.919 -7.138 611 H GLU 75 H GLU 75 9.266 -0.976 -3.642 612 HA GLU 75 HA GLU 75 9.397 -3.516 -4.842 613 HB2 GLU 75 HB2 GLU 75 11.395 -2.237 -4.110 614 HB3 GLU 75 HB3 GLU 75 10.942 -2.456 -2.427 615 HG2 GLU 75 HG2 GLU 75 12.757 -3.979 -3.036 616 HG3 GLU 75 HG3 GLU 75 11.304 -4.892 -2.634 617 H GLU 76 H GLU 76 8.517 -2.600 -1.511 618 HA GLU 76 HA GLU 76 8.219 -5.117 -0.339 619 HB2 GLU 76 HB2 GLU 76 6.826 -2.473 0.259 620 HB3 GLU 76 HB3 GLU 76 6.622 -3.898 1.269 621 HG2 GLU 76 HG2 GLU 76 9.271 -2.529 0.728 622 HG3 GLU 76 HG3 GLU 76 8.279 -2.281 2.164 623 H ILE 77 H ILE 77 5.628 -3.086 -1.799 624 HA ILE 77 HA ILE 77 3.526 -4.942 -1.387 625 HB ILE 77 HB ILE 77 3.627 -2.737 -3.501 626 HG12 ILE 77 HG12 ILE 77 2.536 -2.603 -0.642 627 HG13 ILE 77 HG13 ILE 77 4.051 -1.885 -1.174 628 HG21 ILE 77 HG21 ILE 77 1.229 -4.153 -2.245 629 HG22 ILE 77 HG22 ILE 77 1.796 -4.341 -3.905 630 HG23 ILE 77 HG23 ILE 77 1.141 -2.795 -3.375 631 HD11 ILE 77 HD11 ILE 77 2.299 -0.232 -0.981 632 HD12 ILE 77 HD12 ILE 77 1.302 -1.112 -2.136 633 HD13 ILE 77 HD13 ILE 77 2.824 -0.383 -2.658 634 H GLU 78 H GLU 78 5.701 -4.427 -4.183 635 HA GLU 78 HA GLU 78 4.346 -6.140 -6.000 636 HB2 GLU 78 HB2 GLU 78 6.006 -4.386 -6.654 637 HB3 GLU 78 HB3 GLU 78 7.295 -5.388 -5.994 638 HG2 GLU 78 HG2 GLU 78 6.914 -7.104 -7.666 639 HG3 GLU 78 HG3 GLU 78 5.467 -6.284 -8.250 640 H LYS 79 H LYS 79 6.929 -6.791 -3.630 641 HA LYS 79 HA LYS 79 7.282 -9.563 -4.138 642 HB2 LYS 79 HB2 LYS 79 7.726 -7.824 -1.682 643 HB3 LYS 79 HB3 LYS 79 8.012 -9.558 -1.620 644 HG2 LYS 79 HG2 LYS 79 9.400 -7.643 -3.525 645 HG3 LYS 79 HG3 LYS 79 10.082 -8.252 -2.013 646 HD2 LYS 79 HD2 LYS 79 9.845 -10.599 -2.928 647 HD3 LYS 79 HD3 LYS 79 9.344 -9.900 -4.469 648 HE2 LYS 79 HE2 LYS 79 12.024 -9.387 -3.138 649 HE3 LYS 79 HE3 LYS 79 11.747 -10.593 -4.393 650 HZ1 LYS 79 HZ1 LYS 79 11.363 -7.679 -4.680 651 HZ2 LYS 79 HZ2 LYS 79 11.080 -8.834 -5.883 652 HZ3 LYS 79 HZ3 LYS 79 12.648 -8.583 -5.300 653 H LEU 80 H LEU 80 4.918 -7.827 -2.102 654 HA LEU 80 HA LEU 80 3.630 -10.178 -1.089 655 HB2 LEU 80 HB2 LEU 80 2.929 -7.255 -1.060 656 HB3 LEU 80 HB3 LEU 80 1.650 -8.412 -0.732 657 HG LEU 80 HG LEU 80 3.126 -9.381 1.115 658 HD11 LEU 80 HD11 LEU 80 4.737 -6.849 0.716 659 HD12 LEU 80 HD12 LEU 80 5.288 -8.494 0.401 660 HD13 LEU 80 HD13 LEU 80 4.907 -7.999 2.047 661 HD21 LEU 80 HD21 LEU 80 2.518 -7.653 2.748 662 HD22 LEU 80 HD22 LEU 80 1.209 -7.946 1.608 663 HD23 LEU 80 HD23 LEU 80 2.215 -6.506 1.438 664 H LEU 81 H LEU 81 3.187 -8.350 -4.080 665 HA LEU 81 HA LEU 81 0.776 -9.516 -4.953 666 HB2 LEU 81 HB2 LEU 81 3.090 -8.191 -6.305 667 HB3 LEU 81 HB3 LEU 81 2.112 -9.220 -7.333 668 HG LEU 81 HG LEU 81 0.116 -7.872 -6.901 669 HD11 LEU 81 HD11 LEU 81 0.143 -5.815 -5.565 670 HD12 LEU 81 HD12 LEU 81 1.804 -6.146 -5.064 671 HD13 LEU 81 HD13 LEU 81 0.499 -7.227 -4.569 672 HD21 LEU 81 HD21 LEU 81 0.771 -5.771 -7.996 673 HD22 LEU 81 HD22 LEU 81 1.590 -7.144 -8.734 674 HD23 LEU 81 HD23 LEU 81 2.470 -6.088 -7.626 675 H LYS 82 H LYS 82 4.050 -10.823 -4.918 676 HA LYS 82 HA LYS 82 3.469 -13.290 -6.283 677 HB2 LYS 82 HB2 LYS 82 5.694 -12.742 -4.272 678 HB3 LYS 82 HB3 LYS 82 5.641 -14.062 -5.429 679 HG2 LYS 82 HG2 LYS 82 5.968 -11.117 -6.084 680 HG3 LYS 82 HG3 LYS 82 7.237 -12.336 -6.092 681 HD2 LYS 82 HD2 LYS 82 6.804 -12.355 -8.353 682 HD3 LYS 82 HD3 LYS 82 5.540 -13.492 -7.883 683 HE2 LYS 82 HE2 LYS 82 4.668 -11.808 -9.450 684 HE3 LYS 82 HE3 LYS 82 3.892 -11.629 -7.874 685 HZ1 LYS 82 HZ1 LYS 82 4.492 -9.498 -8.740 686 HZ2 LYS 82 HZ2 LYS 82 6.099 -9.963 -8.957 687 HZ3 LYS 82 HZ3 LYS 82 5.467 -9.814 -7.396 688 H LYS 83 H LYS 83 3.625 -12.303 -2.875 689 HA LYS 83 HA LYS 83 3.429 -14.914 -1.727 690 HB2 LYS 83 HB2 LYS 83 4.568 -12.953 -0.678 691 HB3 LYS 83 HB3 LYS 83 3.006 -12.180 -0.447 692 HG2 LYS 83 HG2 LYS 83 2.330 -14.049 1.056 693 HG3 LYS 83 HG3 LYS 83 3.930 -14.767 0.848 694 HD2 LYS 83 HD2 LYS 83 4.953 -12.708 1.845 695 HD3 LYS 83 HD3 LYS 83 3.332 -12.055 2.108 696 HE2 LYS 83 HE2 LYS 83 4.180 -13.015 4.175 697 HE3 LYS 83 HE3 LYS 83 2.827 -13.987 3.600 698 HZ1 LYS 83 HZ1 LYS 83 4.438 -15.568 2.690 699 HZ2 LYS 83 HZ2 LYS 83 4.622 -15.377 4.357 700 HZ3 LYS 83 HZ3 LYS 83 5.710 -14.636 3.301 701 H ALA 84 H ALA 84 1.051 -12.366 -2.301 702 HA ALA 84 HA ALA 84 -1.061 -13.594 -0.713 703 HB1 ALA 84 HB1 ALA 84 -1.102 -11.061 -2.400 704 HB2 ALA 84 HB2 ALA 84 -0.756 -11.147 -0.674 705 HB3 ALA 84 HB3 ALA 84 -2.360 -11.576 -1.269 706 H GLY 85 H GLY 85 -2.812 -14.671 -1.484 707 HA2 GLY 85 HA2 GLY 85 -4.245 -15.804 -2.883 708 HA3 GLY 85 HA3 GLY 85 -4.223 -14.327 -3.824 709 H SER 86 H SER 86 -1.906 -16.971 -3.239 710 HA SER 86 HA SER 86 -0.523 -16.904 -5.637 711 HB2 SER 86 HB2 SER 86 -1.021 -19.384 -3.930 712 HB3 SER 86 HB3 SER 86 0.339 -19.121 -5.024 713 HG SER 86 HG SER 86 1.113 -17.538 -3.658 714 H LEU 87 H LEU 87 -3.529 -18.605 -4.932 715 HA LEU 87 HA LEU 87 -3.634 -20.228 -7.292 716 HB2 LEU 87 HB2 LEU 87 -5.884 -19.372 -5.429 717 HB3 LEU 87 HB3 LEU 87 -5.973 -20.672 -6.607 718 HG LEU 87 HG LEU 87 -4.192 -20.635 -4.137 719 HD11 LEU 87 HD11 LEU 87 -5.631 -22.445 -3.296 720 HD12 LEU 87 HD12 LEU 87 -6.674 -22.289 -4.711 721 HD13 LEU 87 HD13 LEU 87 -6.548 -20.962 -3.554 722 HD21 LEU 87 HD21 LEU 87 -4.525 -22.832 -6.215 723 HD22 LEU 87 HD22 LEU 87 -3.617 -22.969 -4.707 724 HD23 LEU 87 HD23 LEU 87 -3.079 -21.849 -5.954 725 H VAL 88 H VAL 88 -4.687 -16.964 -6.545 726 HA VAL 88 HA VAL 88 -5.922 -15.354 -7.541 727 HB VAL 88 HB VAL 88 -4.839 -16.558 -10.132 728 HG11 VAL 88 HG11 VAL 88 -6.637 -14.937 -10.581 729 HG12 VAL 88 HG12 VAL 88 -5.082 -14.283 -11.094 730 HG13 VAL 88 HG13 VAL 88 -5.819 -13.725 -9.590 731 HG21 VAL 88 HG21 VAL 88 -3.008 -16.088 -8.559 732 HG22 VAL 88 HG22 VAL 88 -3.588 -14.435 -8.343 733 HG23 VAL 88 HG23 VAL 88 -2.961 -14.955 -9.910 734 HA PRO 89 HA PRO 89 -9.582 -18.192 -8.395 735 HB2 PRO 89 HB2 PRO 89 -11.344 -16.860 -6.719 736 HB3 PRO 89 HB3 PRO 89 -10.285 -18.175 -6.190 737 HG2 PRO 89 HG2 PRO 89 -9.900 -15.203 -5.921 738 HG3 PRO 89 HG3 PRO 89 -9.589 -16.481 -4.729 739 HD2 PRO 89 HD2 PRO 89 -7.590 -15.340 -6.178 740 HD3 PRO 89 HD3 PRO 89 -7.535 -17.052 -5.693 741 H ARG 90 H ARG 90 -9.399 -14.643 -8.270 742 HA ARG 90 HA ARG 90 -9.846 -13.033 -9.762 743 HB2 ARG 90 HB2 ARG 90 -8.801 -14.662 -11.353 744 HB3 ARG 90 HB3 ARG 90 -10.402 -15.267 -11.752 745 HG2 ARG 90 HG2 ARG 90 -11.010 -13.152 -12.783 746 HG3 ARG 90 HG3 ARG 90 -9.508 -12.405 -12.234 747 HD2 ARG 90 HD2 ARG 90 -9.440 -13.020 -14.638 748 HD3 ARG 90 HD3 ARG 90 -8.202 -13.856 -13.697 749 HE ARG 90 HE ARG 90 -10.715 -15.278 -14.176 750 HH11 ARG 90 HH11 ARG 90 -7.374 -14.940 -15.065 751 HH12 ARG 90 HH12 ARG 90 -7.354 -16.455 -15.900 752 HH21 ARG 90 HH21 ARG 90 -10.620 -17.194 -15.246 753 HH22 ARG 90 HH22 ARG 90 -9.149 -17.698 -16.000 754 H GLY 91 H GLY 91 -12.243 -14.910 -8.519 755 HA2 GLY 91 HA2 GLY 91 -14.568 -13.731 -9.795 756 HA3 GLY 91 HA3 GLY 91 -14.535 -14.708 -8.333 757 H SER 92 H SER 92 -13.589 -11.497 -9.526 758 HA SER 92 HA SER 92 -13.053 -10.304 -7.037 759 HB2 SER 92 HB2 SER 92 -12.128 -9.428 -9.129 760 HB3 SER 92 HB3 SER 92 -13.740 -8.999 -9.701 761 HG SER 92 HG SER 92 -12.602 -7.947 -7.323 762 H TYR 93 H TYR 93 -14.283 -9.364 -5.542 763 HA TYR 93 HA TYR 93 -17.208 -9.205 -5.866 764 HB2 TYR 93 HB2 TYR 93 -15.523 -9.181 -3.320 765 HB3 TYR 93 HB3 TYR 93 -17.281 -9.279 -3.397 766 HD1 TYR 93 HD1 TYR 93 -18.293 -11.366 -4.610 767 HD2 TYR 93 HD2 TYR 93 -14.232 -11.190 -3.285 768 HE1 TYR 93 HE1 TYR 93 -18.157 -13.813 -4.692 769 HE2 TYR 93 HE2 TYR 93 -14.103 -13.644 -3.363 770 HH TYR 93 HH TYR 93 -16.551 -15.566 -4.848 771 H LEU 94 H LEU 94 -18.378 -7.387 -5.197 772 HA LEU 94 HA LEU 94 -17.004 -4.941 -4.261 773 HB2 LEU 94 HB2 LEU 94 -18.877 -5.110 -6.656 774 HB3 LEU 94 HB3 LEU 94 -18.589 -3.601 -5.810 775 HG LEU 94 HG LEU 94 -16.454 -5.219 -7.251 776 HD11 LEU 94 HD11 LEU 94 -16.452 -3.423 -8.931 777 HD12 LEU 94 HD12 LEU 94 -17.816 -2.651 -8.118 778 HD13 LEU 94 HD13 LEU 94 -18.012 -4.241 -8.859 779 HD21 LEU 94 HD21 LEU 94 -16.277 -2.489 -5.936 780 HD22 LEU 94 HD22 LEU 94 -15.015 -3.245 -6.910 781 HD23 LEU 94 HD23 LEU 94 -15.498 -3.977 -5.385 782 H GLU 95 H GLU 95 -18.981 -3.238 -3.851 783 HA GLU 95 HA GLU 95 -21.353 -4.472 -2.688 784 HB2 GLU 95 HB2 GLU 95 -19.766 -4.696 -0.832 785 HB3 GLU 95 HB3 GLU 95 -19.282 -3.015 -0.976 786 HG2 GLU 95 HG2 GLU 95 -20.698 -3.319 0.970 787 HG3 GLU 95 HG3 GLU 95 -21.510 -2.296 -0.208 788 H HIS 96 H HIS 96 -23.090 -3.080 -2.596 789 HA HIS 96 HA HIS 96 -22.741 -0.258 -3.438 790 HB2 HIS 96 HB2 HIS 96 -25.247 -2.000 -3.400 791 HB3 HIS 96 HB3 HIS 96 -25.189 -0.317 -3.916 792 HD1 HIS 96 HD1 HIS 96 -24.350 0.158 -6.270 793 HD2 HIS 96 HD2 HIS 96 -24.075 -3.856 -5.242 794 HE1 HIS 96 HE1 HIS 96 -23.839 -1.043 -8.401 795 HE2 HIS 96 HE2 HIS 96 -23.747 -3.476 -7.774 796 H HIS 97 H HIS 97 -21.882 -0.032 -1.130 797 HA HIS 97 HA HIS 97 -24.043 1.175 0.477 798 HB2 HIS 97 HB2 HIS 97 -22.031 -0.835 1.546 799 HB3 HIS 97 HB3 HIS 97 -22.712 0.386 2.616 800 HD1 HIS 97 HD1 HIS 97 -23.206 -2.983 2.079 801 HD2 HIS 97 HD2 HIS 97 -25.838 0.230 2.044 802 HE1 HIS 97 HE1 HIS 97 -25.464 -3.956 2.527 803 HE2 HIS 97 HE2 HIS 97 -27.021 -1.990 2.616 804 H HIS 98 H HIS 98 -21.290 1.690 -1.174 805 HA HIS 98 HA HIS 98 -19.584 3.174 -1.268 806 HB2 HIS 98 HB2 HIS 98 -21.277 4.794 0.673 807 HB3 HIS 98 HB3 HIS 98 -19.892 5.424 -0.214 808 HD1 HIS 98 HD1 HIS 98 -23.495 4.950 -0.447 809 HD2 HIS 98 HD2 HIS 98 -20.369 5.522 -3.121 810 HE1 HIS 98 HE1 HIS 98 -24.566 5.678 -2.586 811 HE2 HIS 98 HE2 HIS 98 -22.677 5.851 -4.231 812 H HIS 99 H HIS 99 -19.674 1.104 0.904 813 HA HIS 99 HA HIS 99 -18.957 0.490 2.947 814 HB2 HIS 99 HB2 HIS 99 -16.455 0.373 3.047 815 HB3 HIS 99 HB3 HIS 99 -17.152 -0.208 1.544 816 HD1 HIS 99 HD1 HIS 99 -15.337 2.840 2.896 817 HD2 HIS 99 HD2 HIS 99 -16.060 0.927 -0.704 818 HE1 HIS 99 HE1 HIS 99 -13.932 4.033 1.226 819 HE2 HIS 99 HE2 HIS 99 -14.145 2.642 -0.851 820 H HIS 100 H HIS 100 -20.149 2.014 4.234 821 HA HIS 100 HA HIS 100 -20.357 3.170 6.169 822 HB2 HIS 100 HB2 HIS 100 -18.410 1.906 6.972 823 HB3 HIS 100 HB3 HIS 100 -17.315 3.051 6.222 824 HD1 HIS 100 HD1 HIS 100 -17.197 5.460 7.356 825 HD2 HIS 100 HD2 HIS 100 -19.185 2.550 9.554 826 HE1 HIS 100 HE1 HIS 100 -17.341 6.355 9.686 827 HE2 HIS 100 HE2 HIS 100 -18.735 4.686 10.929 828 H HIS 101 H HIS 101 -20.664 5.298 6.815 829 HA HIS 101 HA HIS 101 -18.936 7.474 5.970 830 HB2 HIS 101 HB2 HIS 101 -21.675 7.128 4.734 831 HB3 HIS 101 HB3 HIS 101 -21.223 8.768 5.191 832 HD1 HIS 101 HD1 HIS 101 -20.730 6.249 2.572 833 HD2 HIS 101 HD2 HIS 101 -18.839 9.720 3.838 834 HE1 HIS 101 HE1 HIS 101 -19.223 6.922 0.690 835 HE2 HIS 101 HE2 HIS 101 -18.059 8.989 1.491 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -9.003 -17.621 11.266 2 H2 MET 1 H2 MET 1 -9.247 -19.266 11.542 3 H3 MET 1 H3 MET 1 -10.097 -18.483 10.309 4 HA MET 1 HA MET 1 -8.321 -19.823 9.413 5 HB2 MET 1 HB2 MET 1 -7.327 -18.141 7.950 6 HB3 MET 1 HB3 MET 1 -9.008 -17.726 8.242 7 HG2 MET 1 HG2 MET 1 -8.320 -16.000 9.848 8 HG3 MET 1 HG3 MET 1 -6.627 -16.438 9.611 9 HE1 MET 1 HE1 MET 1 -6.104 -15.379 5.826 10 HE2 MET 1 HE2 MET 1 -6.598 -16.972 6.398 11 HE3 MET 1 HE3 MET 1 -5.329 -16.084 7.244 12 H GLN 2 H GLN 2 -5.869 -19.706 8.900 13 HA GLN 2 HA GLN 2 -4.303 -19.901 11.286 14 HB2 GLN 2 HB2 GLN 2 -3.389 -19.745 8.378 15 HB3 GLN 2 HB3 GLN 2 -2.360 -20.194 9.736 16 HG2 GLN 2 HG2 GLN 2 -4.754 -21.733 8.705 17 HG3 GLN 2 HG3 GLN 2 -3.056 -22.167 8.499 18 HE21 GLN 2 HE21 GLN 2 -1.888 -22.891 10.364 19 HE22 GLN 2 HE22 GLN 2 -2.709 -23.541 11.736 20 H GLU 3 H GLU 3 -3.225 -18.327 12.365 21 HA GLU 3 HA GLU 3 -3.232 -15.589 11.644 22 HB2 GLU 3 HB2 GLU 3 -1.502 -17.080 13.649 23 HB3 GLU 3 HB3 GLU 3 -1.578 -15.323 13.532 24 HG2 GLU 3 HG2 GLU 3 -3.931 -15.338 14.181 25 HG3 GLU 3 HG3 GLU 3 -3.950 -17.101 14.168 26 H GLU 4 H GLU 4 -0.979 -18.166 11.025 27 HA GLU 4 HA GLU 4 1.293 -16.855 10.081 28 HB2 GLU 4 HB2 GLU 4 1.134 -19.300 10.429 29 HB3 GLU 4 HB3 GLU 4 -0.031 -19.428 9.116 30 HG2 GLU 4 HG2 GLU 4 1.736 -18.691 7.513 31 HG3 GLU 4 HG3 GLU 4 2.897 -18.665 8.840 32 H ARG 5 H ARG 5 -1.589 -17.916 8.240 33 HA ARG 5 HA ARG 5 -0.829 -16.673 5.765 34 HB2 ARG 5 HB2 ARG 5 -3.457 -17.887 6.701 35 HB3 ARG 5 HB3 ARG 5 -3.208 -17.258 5.074 36 HG2 ARG 5 HG2 ARG 5 -1.408 -18.914 4.708 37 HG3 ARG 5 HG3 ARG 5 -1.674 -19.558 6.331 38 HD2 ARG 5 HD2 ARG 5 -3.931 -20.262 5.730 39 HD3 ARG 5 HD3 ARG 5 -3.787 -19.489 4.150 40 HE ARG 5 HE ARG 5 -1.938 -21.144 3.730 41 HH11 ARG 5 HH11 ARG 5 -4.485 -21.949 5.928 42 HH12 ARG 5 HH12 ARG 5 -4.402 -23.632 5.561 43 HH21 ARG 5 HH21 ARG 5 -1.868 -23.289 3.277 44 HH22 ARG 5 HH22 ARG 5 -2.935 -24.379 4.083 45 H LYS 6 H LYS 6 -2.869 -15.672 8.497 46 HA LYS 6 HA LYS 6 -4.035 -13.403 7.199 47 HB2 LYS 6 HB2 LYS 6 -4.937 -14.564 9.291 48 HB3 LYS 6 HB3 LYS 6 -3.683 -13.748 10.210 49 HG2 LYS 6 HG2 LYS 6 -5.654 -12.175 8.526 50 HG3 LYS 6 HG3 LYS 6 -6.096 -12.732 10.137 51 HD2 LYS 6 HD2 LYS 6 -4.456 -11.347 11.183 52 HD3 LYS 6 HD3 LYS 6 -3.607 -11.057 9.668 53 HE2 LYS 6 HE2 LYS 6 -5.481 -9.712 8.843 54 HE3 LYS 6 HE3 LYS 6 -6.389 -10.033 10.325 55 HZ1 LYS 6 HZ1 LYS 6 -5.332 -7.863 10.388 56 HZ2 LYS 6 HZ2 LYS 6 -3.812 -8.556 10.155 57 HZ3 LYS 6 HZ3 LYS 6 -4.668 -8.867 11.578 58 H LYS 7 H LYS 7 -1.074 -13.917 9.044 59 HA LYS 7 HA LYS 7 -0.335 -11.233 9.480 60 HB2 LYS 7 HB2 LYS 7 0.631 -13.384 10.559 61 HB3 LYS 7 HB3 LYS 7 1.710 -13.448 9.166 62 HG2 LYS 7 HG2 LYS 7 2.638 -11.268 9.725 63 HG3 LYS 7 HG3 LYS 7 1.456 -11.054 11.020 64 HD2 LYS 7 HD2 LYS 7 2.484 -13.125 12.131 65 HD3 LYS 7 HD3 LYS 7 3.780 -13.014 10.934 66 HE2 LYS 7 HE2 LYS 7 3.015 -10.893 12.961 67 HE3 LYS 7 HE3 LYS 7 4.452 -11.916 13.015 68 HZ1 LYS 7 HZ1 LYS 7 3.827 -9.838 10.992 69 HZ2 LYS 7 HZ2 LYS 7 5.170 -10.868 10.928 70 HZ3 LYS 7 HZ3 LYS 7 5.014 -9.764 12.194 71 H LEU 8 H LEU 8 0.063 -13.323 6.695 72 HA LEU 8 HA LEU 8 1.714 -11.836 5.010 73 HB2 LEU 8 HB2 LEU 8 0.587 -14.111 4.652 74 HB3 LEU 8 HB3 LEU 8 -0.855 -13.249 4.166 75 HG LEU 8 HG LEU 8 1.817 -13.044 2.705 76 HD11 LEU 8 HD11 LEU 8 1.007 -15.355 2.639 77 HD12 LEU 8 HD12 LEU 8 0.889 -14.608 1.050 78 HD13 LEU 8 HD13 LEU 8 -0.562 -14.813 2.035 79 HD21 LEU 8 HD21 LEU 8 -0.968 -12.229 1.781 80 HD22 LEU 8 HD22 LEU 8 0.507 -12.159 0.811 81 HD23 LEU 8 HD23 LEU 8 0.339 -11.129 2.229 82 H LEU 9 H LEU 9 -1.859 -11.550 5.350 83 HA LEU 9 HA LEU 9 -2.174 -9.192 3.776 84 HB2 LEU 9 HB2 LEU 9 -3.995 -10.338 5.930 85 HB3 LEU 9 HB3 LEU 9 -4.427 -9.006 4.879 86 HG LEU 9 HG LEU 9 -5.534 -10.854 3.968 87 HD11 LEU 9 HD11 LEU 9 -3.016 -10.598 2.301 88 HD12 LEU 9 HD12 LEU 9 -4.420 -9.529 2.241 89 HD13 LEU 9 HD13 LEU 9 -4.579 -11.214 1.753 90 HD21 LEU 9 HD21 LEU 9 -4.427 -12.634 5.223 91 HD22 LEU 9 HD22 LEU 9 -3.014 -12.525 4.164 92 HD23 LEU 9 HD23 LEU 9 -4.569 -13.055 3.515 93 H GLU 10 H GLU 10 -1.726 -9.734 7.217 94 HA GLU 10 HA GLU 10 -2.063 -7.064 8.122 95 HB2 GLU 10 HB2 GLU 10 -2.263 -9.106 9.559 96 HB3 GLU 10 HB3 GLU 10 -0.514 -9.312 9.461 97 HG2 GLU 10 HG2 GLU 10 -0.156 -7.198 10.628 98 HG3 GLU 10 HG3 GLU 10 -1.887 -6.858 10.618 99 H LYS 11 H LYS 11 0.673 -8.790 6.755 100 HA LYS 11 HA LYS 11 2.673 -6.852 7.316 101 HB2 LYS 11 HB2 LYS 11 3.242 -9.132 6.519 102 HB3 LYS 11 HB3 LYS 11 2.513 -8.777 4.959 103 HG2 LYS 11 HG2 LYS 11 4.946 -8.627 4.820 104 HG3 LYS 11 HG3 LYS 11 4.222 -7.041 4.540 105 HD2 LYS 11 HD2 LYS 11 4.741 -6.421 6.913 106 HD3 LYS 11 HD3 LYS 11 5.512 -7.993 7.133 107 HE2 LYS 11 HE2 LYS 11 7.210 -6.296 6.723 108 HE3 LYS 11 HE3 LYS 11 7.153 -7.407 5.356 109 HZ1 LYS 11 HZ1 LYS 11 7.316 -5.133 4.633 110 HZ2 LYS 11 HZ2 LYS 11 5.922 -4.714 5.472 111 HZ3 LYS 11 HZ3 LYS 11 5.831 -5.776 4.158 112 H LEU 12 H LEU 12 0.229 -7.129 4.694 113 HA LEU 12 HA LEU 12 0.975 -4.801 3.262 114 HB2 LEU 12 HB2 LEU 12 -1.733 -6.137 3.581 115 HB3 LEU 12 HB3 LEU 12 -1.574 -4.632 2.697 116 HG LEU 12 HG LEU 12 -1.621 -6.382 1.082 117 HD11 LEU 12 HD11 LEU 12 0.487 -6.113 -0.109 118 HD12 LEU 12 HD12 LEU 12 1.274 -5.514 1.353 119 HD13 LEU 12 HD13 LEU 12 -0.023 -4.582 0.600 120 HD21 LEU 12 HD21 LEU 12 0.601 -7.791 2.588 121 HD22 LEU 12 HD22 LEU 12 -0.090 -8.301 1.043 122 HD23 LEU 12 HD23 LEU 12 -1.089 -8.295 2.495 123 H GLU 13 H GLU 13 -1.194 -5.165 6.124 124 HA GLU 13 HA GLU 13 -1.846 -2.471 6.538 125 HB2 GLU 13 HB2 GLU 13 -1.268 -4.621 8.617 126 HB3 GLU 13 HB3 GLU 13 -1.939 -3.042 9.015 127 HG2 GLU 13 HG2 GLU 13 -3.922 -3.533 7.639 128 HG3 GLU 13 HG3 GLU 13 -3.239 -5.107 7.225 129 H LYS 14 H LYS 14 1.026 -4.250 7.712 130 HA LYS 14 HA LYS 14 2.318 -2.200 9.100 131 HB2 LYS 14 HB2 LYS 14 2.953 -4.596 9.229 132 HB3 LYS 14 HB3 LYS 14 3.584 -4.528 7.588 133 HG2 LYS 14 HG2 LYS 14 5.308 -2.905 8.320 134 HG3 LYS 14 HG3 LYS 14 4.669 -2.970 9.963 135 HD2 LYS 14 HD2 LYS 14 5.244 -5.394 10.071 136 HD3 LYS 14 HD3 LYS 14 5.918 -5.295 8.441 137 HE2 LYS 14 HE2 LYS 14 7.700 -5.195 10.130 138 HE3 LYS 14 HE3 LYS 14 7.608 -3.676 9.241 139 HZ1 LYS 14 HZ1 LYS 14 6.380 -2.721 11.095 140 HZ2 LYS 14 HZ2 LYS 14 7.876 -3.308 11.609 141 HZ3 LYS 14 HZ3 LYS 14 6.467 -4.181 11.938 142 H ILE 15 H ILE 15 2.731 -3.163 5.678 143 HA ILE 15 HA ILE 15 4.648 -1.253 4.881 144 HB ILE 15 HB ILE 15 2.414 -2.471 3.170 145 HG12 ILE 15 HG12 ILE 15 5.313 -3.431 3.347 146 HG13 ILE 15 HG13 ILE 15 4.011 -4.132 4.298 147 HG21 ILE 15 HG21 ILE 15 3.374 -0.500 2.049 148 HG22 ILE 15 HG22 ILE 15 3.871 -1.964 1.207 149 HG23 ILE 15 HG23 ILE 15 5.010 -1.131 2.266 150 HD11 ILE 15 HD11 ILE 15 2.868 -4.826 2.265 151 HD12 ILE 15 HD12 ILE 15 4.513 -5.458 2.330 152 HD13 ILE 15 HD13 ILE 15 4.141 -4.086 1.286 153 H LEU 16 H LEU 16 1.100 -1.182 4.739 154 HA LEU 16 HA LEU 16 0.774 1.364 3.576 155 HB2 LEU 16 HB2 LEU 16 -1.030 -0.584 4.980 156 HB3 LEU 16 HB3 LEU 16 -1.635 1.038 4.703 157 HG LEU 16 HG LEU 16 -1.619 0.781 2.326 158 HD11 LEU 16 HD11 LEU 16 -0.047 -1.802 2.589 159 HD12 LEU 16 HD12 LEU 16 0.566 -0.267 1.975 160 HD13 LEU 16 HD13 LEU 16 -0.691 -1.126 1.089 161 HD21 LEU 16 HD21 LEU 16 -3.045 -1.190 1.937 162 HD22 LEU 16 HD22 LEU 16 -3.488 -0.371 3.431 163 HD23 LEU 16 HD23 LEU 16 -2.554 -1.865 3.495 164 H ASP 17 H ASP 17 1.137 0.412 6.953 165 HA ASP 17 HA ASP 17 0.472 2.957 8.113 166 HB2 ASP 17 HB2 ASP 17 2.099 0.626 9.223 167 HB3 ASP 17 HB3 ASP 17 1.632 2.033 10.170 168 H GLU 18 H GLU 18 3.413 1.485 6.857 169 HA GLU 18 HA GLU 18 5.166 3.702 7.496 170 HB2 GLU 18 HB2 GLU 18 5.527 1.399 5.520 171 HB3 GLU 18 HB3 GLU 18 6.793 2.516 6.013 172 HG2 GLU 18 HG2 GLU 18 5.374 0.535 7.825 173 HG3 GLU 18 HG3 GLU 18 6.981 0.332 7.131 174 H VAL 19 H VAL 19 2.998 2.867 4.868 175 HA VAL 19 HA VAL 19 4.044 4.709 2.910 176 HB VAL 19 HB VAL 19 1.432 3.127 2.994 177 HG11 VAL 19 HG11 VAL 19 1.080 3.734 0.621 178 HG12 VAL 19 HG12 VAL 19 2.459 4.837 0.708 179 HG13 VAL 19 HG13 VAL 19 1.024 5.146 1.677 180 HG21 VAL 19 HG21 VAL 19 3.910 2.765 1.255 181 HG22 VAL 19 HG22 VAL 19 2.461 1.753 1.219 182 HG23 VAL 19 HG23 VAL 19 3.486 1.776 2.651 183 H THR 20 H THR 20 1.390 4.813 5.305 184 HA THR 20 HA THR 20 0.192 7.264 4.543 185 HB THR 20 HB THR 20 -0.624 7.376 6.972 186 HG1 THR 20 HG1 THR 20 0.712 6.313 8.260 187 HG21 THR 20 HG21 THR 20 -1.076 4.730 5.548 188 HG22 THR 20 HG22 THR 20 -1.982 6.220 5.276 189 HG23 THR 20 HG23 THR 20 -2.085 5.395 6.833 190 H ASP 21 H ASP 21 2.583 6.649 7.156 191 HA ASP 21 HA ASP 21 3.083 9.500 7.510 192 HB2 ASP 21 HB2 ASP 21 4.241 7.049 8.896 193 HB3 ASP 21 HB3 ASP 21 4.646 8.712 9.328 194 H GLY 22 H GLY 22 4.500 6.975 5.642 195 HA2 GLY 22 HA2 GLY 22 6.929 8.538 5.030 196 HA3 GLY 22 HA3 GLY 22 6.519 6.939 4.423 197 H ALA 23 H ALA 23 3.971 9.230 4.299 198 HA ALA 23 HA ALA 23 4.138 9.504 1.380 199 HB1 ALA 23 HB1 ALA 23 1.818 10.292 1.539 200 HB2 ALA 23 HB2 ALA 23 1.912 10.221 3.302 201 HB3 ALA 23 HB3 ALA 23 2.027 8.740 2.356 202 HA PRO 24 HA PRO 24 4.947 14.049 1.692 203 HB2 PRO 24 HB2 PRO 24 3.990 14.715 -0.816 204 HB3 PRO 24 HB3 PRO 24 5.611 14.070 -0.534 205 HG2 PRO 24 HG2 PRO 24 3.118 12.607 -1.404 206 HG3 PRO 24 HG3 PRO 24 4.767 12.496 -2.063 207 HD2 PRO 24 HD2 PRO 24 3.821 10.645 -0.351 208 HD3 PRO 24 HD3 PRO 24 5.522 11.168 -0.288 209 H ASP 25 H ASP 25 3.535 16.004 1.579 210 HA ASP 25 HA ASP 25 1.508 15.797 3.415 211 HB2 ASP 25 HB2 ASP 25 1.995 17.998 1.374 212 HB3 ASP 25 HB3 ASP 25 0.928 18.173 2.761 213 H GLU 26 H GLU 26 0.830 16.697 0.007 214 HA GLU 26 HA GLU 26 -2.013 16.658 0.316 215 HB2 GLU 26 HB2 GLU 26 -0.449 16.543 -2.297 216 HB3 GLU 26 HB3 GLU 26 -2.071 17.199 -2.057 217 HG2 GLU 26 HG2 GLU 26 -1.169 19.066 -0.768 218 HG3 GLU 26 HG3 GLU 26 0.445 18.359 -0.815 219 H ALA 27 H ALA 27 0.314 14.444 -1.147 220 HA ALA 27 HA ALA 27 -1.482 12.597 -2.324 221 HB1 ALA 27 HB1 ALA 27 1.403 12.198 -1.487 222 HB2 ALA 27 HB2 ALA 27 0.853 12.865 -3.025 223 HB3 ALA 27 HB3 ALA 27 0.499 11.183 -2.615 224 H ARG 28 H ARG 28 -0.405 12.933 0.984 225 HA ARG 28 HA ARG 28 -0.726 10.296 1.910 226 HB2 ARG 28 HB2 ARG 28 0.399 12.048 3.251 227 HB3 ARG 28 HB3 ARG 28 -1.140 12.871 3.492 228 HG2 ARG 28 HG2 ARG 28 -2.004 10.921 4.737 229 HG3 ARG 28 HG3 ARG 28 -0.496 10.055 4.458 230 HD2 ARG 28 HD2 ARG 28 0.717 11.713 5.822 231 HD3 ARG 28 HD3 ARG 28 -0.788 12.610 6.079 232 HE ARG 28 HE ARG 28 -1.597 10.380 7.066 233 HH11 ARG 28 HH11 ARG 28 1.637 11.545 7.471 234 HH12 ARG 28 HH12 ARG 28 1.869 10.636 8.922 235 HH21 ARG 28 HH21 ARG 28 -1.248 9.222 8.882 236 HH22 ARG 28 HH22 ARG 28 0.279 9.323 9.693 237 H GLU 29 H GLU 29 -3.143 12.856 1.419 238 HA GLU 29 HA GLU 29 -5.310 11.847 2.889 239 HB2 GLU 29 HB2 GLU 29 -5.407 13.371 0.256 240 HB3 GLU 29 HB3 GLU 29 -6.769 13.162 1.353 241 HG2 GLU 29 HG2 GLU 29 -5.567 14.426 3.094 242 HG3 GLU 29 HG3 GLU 29 -4.199 14.638 1.998 243 H ARG 30 H ARG 30 -4.288 11.030 -0.411 244 HA ARG 30 HA ARG 30 -6.315 9.280 -1.241 245 HB2 ARG 30 HB2 ARG 30 -3.302 9.204 -1.731 246 HB3 ARG 30 HB3 ARG 30 -4.427 8.139 -2.563 247 HG2 ARG 30 HG2 ARG 30 -4.633 11.157 -2.712 248 HG3 ARG 30 HG3 ARG 30 -3.655 10.206 -3.833 249 HD2 ARG 30 HD2 ARG 30 -5.669 8.944 -4.517 250 HD3 ARG 30 HD3 ARG 30 -6.644 9.908 -3.403 251 HE ARG 30 HE ARG 30 -5.852 11.884 -4.773 252 HH11 ARG 30 HH11 ARG 30 -6.136 8.783 -6.275 253 HH12 ARG 30 HH12 ARG 30 -6.578 9.464 -7.800 254 HH21 ARG 30 HH21 ARG 30 -6.352 12.708 -6.732 255 HH22 ARG 30 HH22 ARG 30 -6.682 11.650 -8.061 256 H ILE 31 H ILE 31 -3.401 8.651 0.667 257 HA ILE 31 HA ILE 31 -3.734 5.811 0.818 258 HB ILE 31 HB ILE 31 -1.904 7.588 2.516 259 HG12 ILE 31 HG12 ILE 31 -1.194 6.235 -0.131 260 HG13 ILE 31 HG13 ILE 31 -1.742 7.902 -0.043 261 HG21 ILE 31 HG21 ILE 31 -1.674 4.634 1.760 262 HG22 ILE 31 HG22 ILE 31 -2.098 5.262 3.352 263 HG23 ILE 31 HG23 ILE 31 -0.489 5.553 2.696 264 HD11 ILE 31 HD11 ILE 31 0.188 8.500 1.261 265 HD12 ILE 31 HD12 ILE 31 0.665 7.705 -0.239 266 HD13 ILE 31 HD13 ILE 31 0.726 6.820 1.285 267 H GLU 32 H GLU 32 -4.408 8.500 3.061 268 HA GLU 32 HA GLU 32 -5.028 7.168 5.426 269 HB2 GLU 32 HB2 GLU 32 -6.347 9.675 4.274 270 HB3 GLU 32 HB3 GLU 32 -6.487 9.160 5.946 271 HG2 GLU 32 HG2 GLU 32 -3.860 9.898 4.626 272 HG3 GLU 32 HG3 GLU 32 -4.858 11.033 5.527 273 H LYS 33 H LYS 33 -7.207 8.039 2.749 274 HA LYS 33 HA LYS 33 -9.527 6.704 3.780 275 HB2 LYS 33 HB2 LYS 33 -9.651 8.710 2.342 276 HB3 LYS 33 HB3 LYS 33 -8.956 7.808 0.998 277 HG2 LYS 33 HG2 LYS 33 -10.916 6.392 0.847 278 HG3 LYS 33 HG3 LYS 33 -11.587 7.076 2.330 279 HD2 LYS 33 HD2 LYS 33 -11.843 9.270 1.231 280 HD3 LYS 33 HD3 LYS 33 -11.110 8.634 -0.245 281 HE2 LYS 33 HE2 LYS 33 -13.551 8.734 -0.449 282 HE3 LYS 33 HE3 LYS 33 -12.989 7.063 -0.503 283 HZ1 LYS 33 HZ1 LYS 33 -13.620 6.831 1.826 284 HZ2 LYS 33 HZ2 LYS 33 -14.941 7.286 0.875 285 HZ3 LYS 33 HZ3 LYS 33 -14.171 8.430 1.852 286 H LEU 34 H LEU 34 -7.221 5.910 1.131 287 HA LEU 34 HA LEU 34 -8.691 3.635 0.222 288 HB2 LEU 34 HB2 LEU 34 -7.219 4.969 -1.265 289 HB3 LEU 34 HB3 LEU 34 -5.810 4.381 -0.397 290 HG LEU 34 HG LEU 34 -6.327 2.053 -1.147 291 HD11 LEU 34 HD11 LEU 34 -8.025 1.633 -2.875 292 HD12 LEU 34 HD12 LEU 34 -8.575 3.306 -2.761 293 HD13 LEU 34 HD13 LEU 34 -8.759 2.218 -1.384 294 HD21 LEU 34 HD21 LEU 34 -4.767 3.411 -2.472 295 HD22 LEU 34 HD22 LEU 34 -6.104 4.036 -3.442 296 HD23 LEU 34 HD23 LEU 34 -5.687 2.321 -3.507 297 H ALA 35 H ALA 35 -5.631 3.865 2.093 298 HA ALA 35 HA ALA 35 -5.133 1.104 2.407 299 HB1 ALA 35 HB1 ALA 35 -4.379 3.327 4.337 300 HB2 ALA 35 HB2 ALA 35 -3.446 2.831 2.925 301 HB3 ALA 35 HB3 ALA 35 -3.662 1.713 4.273 302 H LYS 36 H LYS 36 -7.195 3.301 4.248 303 HA LYS 36 HA LYS 36 -8.048 1.611 6.343 304 HB2 LYS 36 HB2 LYS 36 -8.513 4.007 6.333 305 HB3 LYS 36 HB3 LYS 36 -9.461 3.867 4.861 306 HG2 LYS 36 HG2 LYS 36 -11.175 2.560 6.091 307 HG3 LYS 36 HG3 LYS 36 -10.226 2.726 7.576 308 HD2 LYS 36 HD2 LYS 36 -10.489 5.182 7.482 309 HD3 LYS 36 HD3 LYS 36 -11.384 5.042 5.966 310 HE2 LYS 36 HE2 LYS 36 -13.183 3.823 7.128 311 HE3 LYS 36 HE3 LYS 36 -12.281 3.911 8.642 312 HZ1 LYS 36 HZ1 LYS 36 -14.035 5.597 8.445 313 HZ2 LYS 36 HZ2 LYS 36 -13.224 6.278 7.123 314 HZ3 LYS 36 HZ3 LYS 36 -12.500 6.270 8.647 315 H ASP 37 H ASP 37 -9.480 2.160 3.091 316 HA ASP 37 HA ASP 37 -11.629 0.356 3.213 317 HB2 ASP 37 HB2 ASP 37 -10.044 1.185 0.736 318 HB3 ASP 37 HB3 ASP 37 -11.666 0.492 0.738 319 H VAL 38 H VAL 38 -8.262 -0.161 2.279 320 HA VAL 38 HA VAL 38 -8.407 -2.836 1.403 321 HB VAL 38 HB VAL 38 -6.071 -1.445 2.819 322 HG11 VAL 38 HG11 VAL 38 -5.761 -3.884 2.876 323 HG12 VAL 38 HG12 VAL 38 -4.603 -3.153 1.766 324 HG13 VAL 38 HG13 VAL 38 -6.026 -3.989 1.135 325 HG21 VAL 38 HG21 VAL 38 -6.603 -1.758 -0.168 326 HG22 VAL 38 HG22 VAL 38 -5.170 -1.018 0.553 327 HG23 VAL 38 HG23 VAL 38 -6.749 -0.266 0.761 328 H LYS 39 H LYS 39 -7.786 -1.487 4.674 329 HA LYS 39 HA LYS 39 -7.509 -3.963 6.042 330 HB2 LYS 39 HB2 LYS 39 -8.256 -1.221 7.133 331 HB3 LYS 39 HB3 LYS 39 -7.764 -2.594 8.121 332 HG2 LYS 39 HG2 LYS 39 -5.531 -2.579 7.093 333 HG3 LYS 39 HG3 LYS 39 -6.020 -1.281 6.005 334 HD2 LYS 39 HD2 LYS 39 -6.380 0.193 8.014 335 HD3 LYS 39 HD3 LYS 39 -5.742 -1.102 9.031 336 HE2 LYS 39 HE2 LYS 39 -3.581 -0.976 7.801 337 HE3 LYS 39 HE3 LYS 39 -4.225 0.343 6.819 338 HZ1 LYS 39 HZ1 LYS 39 -2.858 1.137 8.660 339 HZ2 LYS 39 HZ2 LYS 39 -3.896 0.403 9.770 340 HZ3 LYS 39 HZ3 LYS 39 -4.451 1.671 8.810 341 H ASP 40 H ASP 40 -10.396 -2.018 5.305 342 HA ASP 40 HA ASP 40 -12.312 -3.392 6.862 343 HB2 ASP 40 HB2 ASP 40 -12.547 -1.979 4.170 344 HB3 ASP 40 HB3 ASP 40 -13.943 -2.689 4.976 345 H GLU 41 H GLU 41 -11.071 -4.077 3.602 346 HA GLU 41 HA GLU 41 -12.697 -6.428 3.228 347 HB2 GLU 41 HB2 GLU 41 -10.371 -5.360 1.586 348 HB3 GLU 41 HB3 GLU 41 -11.462 -6.656 1.087 349 HG2 GLU 41 HG2 GLU 41 -13.392 -5.019 1.312 350 HG3 GLU 41 HG3 GLU 41 -12.202 -3.752 1.615 351 H LEU 42 H LEU 42 -9.451 -5.865 4.463 352 HA LEU 42 HA LEU 42 -8.532 -8.532 4.637 353 HB2 LEU 42 HB2 LEU 42 -7.922 -5.980 6.075 354 HB3 LEU 42 HB3 LEU 42 -7.495 -7.442 6.938 355 HG LEU 42 HG LEU 42 -6.060 -8.142 5.022 356 HD11 LEU 42 HD11 LEU 42 -6.602 -5.399 3.875 357 HD12 LEU 42 HD12 LEU 42 -7.176 -6.928 3.214 358 HD13 LEU 42 HD13 LEU 42 -5.449 -6.592 3.265 359 HD21 LEU 42 HD21 LEU 42 -4.244 -6.546 5.456 360 HD22 LEU 42 HD22 LEU 42 -5.074 -7.006 6.937 361 HD23 LEU 42 HD23 LEU 42 -5.393 -5.432 6.205 362 H GLU 43 H GLU 43 -10.703 -6.670 6.755 363 HA GLU 43 HA GLU 43 -11.086 -8.465 8.871 364 HB2 GLU 43 HB2 GLU 43 -11.938 -6.195 8.991 365 HB3 GLU 43 HB3 GLU 43 -12.970 -6.442 7.595 366 HG2 GLU 43 HG2 GLU 43 -14.297 -6.375 9.628 367 HG3 GLU 43 HG3 GLU 43 -14.396 -7.971 8.892 368 H GLU 44 H GLU 44 -12.772 -8.283 5.735 369 HA GLU 44 HA GLU 44 -14.381 -10.661 6.262 370 HB2 GLU 44 HB2 GLU 44 -14.163 -8.928 3.769 371 HB3 GLU 44 HB3 GLU 44 -15.340 -10.222 4.016 372 HG2 GLU 44 HG2 GLU 44 -16.218 -8.961 6.014 373 HG3 GLU 44 HG3 GLU 44 -15.133 -7.635 5.599 374 H GLY 45 H GLY 45 -11.267 -10.052 4.944 375 HA2 GLY 45 HA2 GLY 45 -9.839 -12.045 4.975 376 HA3 GLY 45 HA3 GLY 45 -11.085 -12.901 4.089 377 H ASP 46 H ASP 46 -11.579 -12.011 1.850 378 HA ASP 46 HA ASP 46 -9.049 -12.093 0.470 379 HB2 ASP 46 HB2 ASP 46 -10.385 -12.413 -1.597 380 HB3 ASP 46 HB3 ASP 46 -10.789 -13.554 -0.324 381 H ALA 47 H ALA 47 -7.936 -10.282 0.410 382 HA ALA 47 HA ALA 47 -9.032 -7.875 -0.975 383 HB1 ALA 47 HB1 ALA 47 -7.109 -7.910 1.382 384 HB2 ALA 47 HB2 ALA 47 -8.811 -7.447 1.446 385 HB3 ALA 47 HB3 ALA 47 -7.669 -6.478 0.515 386 H LYS 48 H LYS 48 -7.575 -10.235 -2.018 387 HA LYS 48 HA LYS 48 -4.840 -9.704 -2.539 388 HB2 LYS 48 HB2 LYS 48 -6.074 -11.912 -2.800 389 HB3 LYS 48 HB3 LYS 48 -6.766 -11.302 -4.292 390 HG2 LYS 48 HG2 LYS 48 -3.764 -11.496 -3.904 391 HG3 LYS 48 HG3 LYS 48 -4.709 -12.895 -4.409 392 HD2 LYS 48 HD2 LYS 48 -5.479 -11.611 -6.410 393 HD3 LYS 48 HD3 LYS 48 -4.466 -10.255 -5.905 394 HE2 LYS 48 HE2 LYS 48 -2.447 -11.641 -6.157 395 HE3 LYS 48 HE3 LYS 48 -3.438 -13.032 -6.608 396 HZ1 LYS 48 HZ1 LYS 48 -4.206 -11.755 -8.546 397 HZ2 LYS 48 HZ2 LYS 48 -2.531 -11.978 -8.558 398 HZ3 LYS 48 HZ3 LYS 48 -3.180 -10.491 -8.114 399 H ASN 49 H ASN 49 -7.785 -8.993 -4.412 400 HA ASN 49 HA ASN 49 -6.659 -7.597 -6.583 401 HB2 ASN 49 HB2 ASN 49 -8.979 -8.385 -6.602 402 HB3 ASN 49 HB3 ASN 49 -9.392 -7.324 -5.261 403 HD21 ASN 49 HD21 ASN 49 -9.805 -5.130 -5.686 404 HD22 ASN 49 HD22 ASN 49 -9.950 -4.509 -7.292 405 H MET 50 H MET 50 -7.531 -6.525 -3.335 406 HA MET 50 HA MET 50 -7.338 -3.733 -3.676 407 HB2 MET 50 HB2 MET 50 -7.013 -5.422 -1.175 408 HB3 MET 50 HB3 MET 50 -7.130 -3.662 -1.171 409 HG2 MET 50 HG2 MET 50 -9.244 -5.551 -2.217 410 HG3 MET 50 HG3 MET 50 -9.284 -4.713 -0.662 411 HE1 MET 50 HE1 MET 50 -8.248 -1.833 -1.218 412 HE2 MET 50 HE2 MET 50 -9.721 -2.219 -0.330 413 HE3 MET 50 HE3 MET 50 -9.755 -1.008 -1.617 414 H ILE 51 H ILE 51 -4.877 -6.141 -2.989 415 HA ILE 51 HA ILE 51 -2.726 -4.343 -2.387 416 HB ILE 51 HB ILE 51 -2.532 -7.146 -3.584 417 HG12 ILE 51 HG12 ILE 51 -2.586 -6.448 -0.602 418 HG13 ILE 51 HG13 ILE 51 -3.989 -7.028 -1.491 419 HG21 ILE 51 HG21 ILE 51 -0.323 -7.246 -2.447 420 HG22 ILE 51 HG22 ILE 51 -0.526 -5.582 -1.896 421 HG23 ILE 51 HG23 ILE 51 -0.387 -5.931 -3.620 422 HD11 ILE 51 HD11 ILE 51 -2.838 -9.111 -1.973 423 HD12 ILE 51 HD12 ILE 51 -2.934 -8.800 -0.239 424 HD13 ILE 51 HD13 ILE 51 -1.416 -8.535 -1.097 425 H GLU 52 H GLU 52 -3.878 -5.920 -5.346 426 HA GLU 52 HA GLU 52 -1.903 -5.029 -7.163 427 HB2 GLU 52 HB2 GLU 52 -4.812 -5.704 -7.794 428 HB3 GLU 52 HB3 GLU 52 -3.456 -5.730 -8.925 429 HG2 GLU 52 HG2 GLU 52 -2.428 -7.566 -7.572 430 HG3 GLU 52 HG3 GLU 52 -3.859 -7.579 -6.549 431 H LYS 53 H LYS 53 -5.092 -3.663 -6.309 432 HA LYS 53 HA LYS 53 -4.853 -1.466 -8.185 433 HB2 LYS 53 HB2 LYS 53 -7.055 -0.719 -7.357 434 HB3 LYS 53 HB3 LYS 53 -7.059 -2.418 -7.788 435 HG2 LYS 53 HG2 LYS 53 -8.311 -2.467 -5.845 436 HG3 LYS 53 HG3 LYS 53 -6.706 -2.828 -5.227 437 HD2 LYS 53 HD2 LYS 53 -7.780 -1.254 -3.716 438 HD3 LYS 53 HD3 LYS 53 -6.463 -0.419 -4.542 439 HE2 LYS 53 HE2 LYS 53 -8.395 1.042 -4.452 440 HE3 LYS 53 HE3 LYS 53 -8.125 0.557 -6.123 441 HZ1 LYS 53 HZ1 LYS 53 -10.132 -0.617 -4.287 442 HZ2 LYS 53 HZ2 LYS 53 -9.878 -1.076 -5.891 443 HZ3 LYS 53 HZ3 LYS 53 -10.446 0.474 -5.537 444 H PHE 54 H PHE 54 -4.181 -1.903 -4.734 445 HA PHE 54 HA PHE 54 -3.822 0.855 -4.100 446 HB2 PHE 54 HB2 PHE 54 -4.027 -0.955 -2.342 447 HB3 PHE 54 HB3 PHE 54 -2.400 -1.488 -2.749 448 HD1 PHE 54 HD1 PHE 54 -0.422 -0.090 -2.107 449 HD2 PHE 54 HD2 PHE 54 -4.392 1.154 -1.100 450 HE1 PHE 54 HE1 PHE 54 0.490 1.599 -0.575 451 HE2 PHE 54 HE2 PHE 54 -3.465 2.836 0.447 452 HZ PHE 54 HZ PHE 54 -1.024 3.065 0.706 453 H ARG 55 H ARG 55 -1.632 -1.652 -5.387 454 HA ARG 55 HA ARG 55 0.796 -0.260 -5.399 455 HB2 ARG 55 HB2 ARG 55 0.711 -2.633 -6.008 456 HB3 ARG 55 HB3 ARG 55 -0.274 -2.277 -7.423 457 HG2 ARG 55 HG2 ARG 55 1.675 -0.961 -8.361 458 HG3 ARG 55 HG3 ARG 55 2.649 -1.540 -7.011 459 HD2 ARG 55 HD2 ARG 55 2.403 -3.844 -7.768 460 HD3 ARG 55 HD3 ARG 55 1.267 -3.345 -9.023 461 HE ARG 55 HE ARG 55 3.026 -2.391 -10.250 462 HH11 ARG 55 HH11 ARG 55 4.258 -3.856 -7.383 463 HH12 ARG 55 HH12 ARG 55 5.859 -3.975 -8.021 464 HH21 ARG 55 HH21 ARG 55 5.094 -2.549 -11.010 465 HH22 ARG 55 HH22 ARG 55 6.324 -3.259 -10.015 466 H ASP 56 H ASP 56 -1.818 -0.227 -7.831 467 HA ASP 56 HA ASP 56 -0.635 1.374 -9.803 468 HB2 ASP 56 HB2 ASP 56 -2.666 0.083 -10.214 469 HB3 ASP 56 HB3 ASP 56 -3.559 1.021 -9.021 470 H GLU 57 H GLU 57 -2.863 2.398 -7.183 471 HA GLU 57 HA GLU 57 -2.740 5.193 -7.636 472 HB2 GLU 57 HB2 GLU 57 -4.524 4.110 -6.308 473 HB3 GLU 57 HB3 GLU 57 -3.362 3.656 -5.072 474 HG2 GLU 57 HG2 GLU 57 -4.647 5.539 -4.279 475 HG3 GLU 57 HG3 GLU 57 -2.992 6.070 -4.562 476 H MET 58 H MET 58 -0.858 3.089 -5.517 477 HA MET 58 HA MET 58 0.548 4.999 -4.017 478 HB2 MET 58 HB2 MET 58 0.336 2.682 -3.282 479 HB3 MET 58 HB3 MET 58 1.254 2.111 -4.672 480 HG2 MET 58 HG2 MET 58 2.574 2.134 -2.583 481 HG3 MET 58 HG3 MET 58 3.265 3.178 -3.829 482 HE1 MET 58 HE1 MET 58 4.748 4.583 -2.218 483 HE2 MET 58 HE2 MET 58 4.284 3.441 -0.950 484 HE3 MET 58 HE3 MET 58 4.192 5.178 -0.656 485 H GLU 59 H GLU 59 1.448 3.266 -6.988 486 HA GLU 59 HA GLU 59 4.064 4.297 -7.236 487 HB2 GLU 59 HB2 GLU 59 3.292 2.303 -8.507 488 HB3 GLU 59 HB3 GLU 59 2.224 3.326 -9.466 489 HG2 GLU 59 HG2 GLU 59 4.252 4.579 -10.284 490 HG3 GLU 59 HG3 GLU 59 5.264 3.422 -9.422 491 H GLN 60 H GLN 60 0.920 5.485 -8.398 492 HA GLN 60 HA GLN 60 1.846 7.591 -10.045 493 HB2 GLN 60 HB2 GLN 60 -0.798 7.377 -8.551 494 HB3 GLN 60 HB3 GLN 60 -0.457 8.527 -9.840 495 HG2 GLN 60 HG2 GLN 60 -0.616 5.518 -10.088 496 HG3 GLN 60 HG3 GLN 60 -1.773 6.689 -10.703 497 HE21 GLN 60 HE21 GLN 60 -0.292 4.607 -12.123 498 HE22 GLN 60 HE22 GLN 60 0.581 5.417 -13.374 499 H MET 61 H MET 61 1.146 7.493 -6.557 500 HA MET 61 HA MET 61 1.421 10.340 -6.135 501 HB2 MET 61 HB2 MET 61 1.370 7.995 -4.194 502 HB3 MET 61 HB3 MET 61 1.404 9.683 -3.690 503 HG2 MET 61 HG2 MET 61 -0.747 10.081 -4.804 504 HG3 MET 61 HG3 MET 61 -0.783 8.405 -5.356 505 HE1 MET 61 HE1 MET 61 0.230 6.737 -2.847 506 HE2 MET 61 HE2 MET 61 -1.179 6.352 -3.839 507 HE3 MET 61 HE3 MET 61 -1.327 6.410 -2.084 508 H TYR 62 H TYR 62 3.541 7.532 -5.700 509 HA TYR 62 HA TYR 62 5.864 8.913 -4.823 510 HB2 TYR 62 HB2 TYR 62 5.936 6.566 -4.480 511 HB3 TYR 62 HB3 TYR 62 5.374 6.205 -6.109 512 HD1 TYR 62 HD1 TYR 62 8.354 7.571 -4.245 513 HD2 TYR 62 HD2 TYR 62 6.945 5.673 -7.814 514 HE1 TYR 62 HE1 TYR 62 10.661 7.348 -5.052 515 HE2 TYR 62 HE2 TYR 62 9.251 5.442 -8.597 516 HH TYR 62 HH TYR 62 11.917 5.878 -6.665 517 H LYS 63 H LYS 63 4.524 8.318 -8.032 518 HA LYS 63 HA LYS 63 6.884 9.094 -9.506 519 HB2 LYS 63 HB2 LYS 63 5.129 7.428 -10.274 520 HB3 LYS 63 HB3 LYS 63 4.034 8.774 -10.541 521 HG2 LYS 63 HG2 LYS 63 5.333 9.617 -12.348 522 HG3 LYS 63 HG3 LYS 63 6.725 8.615 -11.927 523 HD2 LYS 63 HD2 LYS 63 4.055 7.577 -12.975 524 HD3 LYS 63 HD3 LYS 63 5.535 7.749 -13.924 525 HE2 LYS 63 HE2 LYS 63 6.666 6.097 -12.487 526 HE3 LYS 63 HE3 LYS 63 5.215 5.936 -11.498 527 HZ1 LYS 63 HZ1 LYS 63 5.421 5.241 -14.375 528 HZ2 LYS 63 HZ2 LYS 63 4.049 5.051 -13.408 529 HZ3 LYS 63 HZ3 LYS 63 5.436 4.141 -13.094 530 H ASP 64 H ASP 64 3.987 10.663 -8.349 531 HA ASP 64 HA ASP 64 4.365 13.192 -9.671 532 HB2 ASP 64 HB2 ASP 64 2.140 12.403 -8.901 533 HB3 ASP 64 HB3 ASP 64 2.699 12.430 -7.230 534 H ALA 65 H ALA 65 5.172 11.845 -6.471 535 HA ALA 65 HA ALA 65 7.077 14.068 -5.983 536 HB1 ALA 65 HB1 ALA 65 5.074 14.411 -4.581 537 HB2 ALA 65 HB2 ALA 65 6.494 14.052 -3.597 538 HB3 ALA 65 HB3 ALA 65 5.281 12.802 -3.884 539 HA PRO 66 HA PRO 66 9.362 9.996 -5.682 540 HB2 PRO 66 HB2 PRO 66 11.539 11.367 -7.151 541 HB3 PRO 66 HB3 PRO 66 10.637 9.914 -7.602 542 HG2 PRO 66 HG2 PRO 66 10.324 12.271 -8.924 543 HG3 PRO 66 HG3 PRO 66 8.982 11.124 -8.709 544 HD2 PRO 66 HD2 PRO 66 9.608 13.624 -7.113 545 HD3 PRO 66 HD3 PRO 66 8.052 13.085 -7.792 546 H ASN 67 H ASN 67 9.617 10.261 -3.442 547 HA ASN 67 HA ASN 67 11.573 12.107 -2.330 548 HB2 ASN 67 HB2 ASN 67 9.737 10.046 -1.054 549 HB3 ASN 67 HB3 ASN 67 10.880 11.018 -0.129 550 HD21 ASN 67 HD21 ASN 67 7.926 11.122 -2.039 551 HD22 ASN 67 HD22 ASN 67 7.444 12.697 -1.526 552 H ALA 68 H ALA 68 11.417 8.730 -1.135 553 HA ALA 68 HA ALA 68 13.827 7.821 -2.376 554 HB1 ALA 68 HB1 ALA 68 14.121 8.628 0.548 555 HB2 ALA 68 HB2 ALA 68 14.863 9.462 -0.817 556 HB3 ALA 68 HB3 ALA 68 15.342 7.808 -0.429 557 H VAL 69 H VAL 69 12.707 7.286 0.990 558 HA VAL 69 HA VAL 69 12.823 4.448 0.835 559 HB VAL 69 HB VAL 69 11.361 6.190 2.882 560 HG11 VAL 69 HG11 VAL 69 10.595 3.859 3.035 561 HG12 VAL 69 HG12 VAL 69 11.581 4.266 4.438 562 HG13 VAL 69 HG13 VAL 69 12.263 3.290 3.134 563 HG21 VAL 69 HG21 VAL 69 13.410 5.988 4.265 564 HG22 VAL 69 HG22 VAL 69 13.753 6.782 2.729 565 HG23 VAL 69 HG23 VAL 69 14.208 5.094 2.966 566 H MET 70 H MET 70 10.310 6.718 0.062 567 HA MET 70 HA MET 70 7.999 5.175 0.148 568 HB2 MET 70 HB2 MET 70 8.186 7.685 -0.284 569 HB3 MET 70 HB3 MET 70 8.604 7.304 -1.949 570 HG2 MET 70 HG2 MET 70 6.436 6.275 -2.304 571 HG3 MET 70 HG3 MET 70 6.027 6.472 -0.599 572 HE1 MET 70 HE1 MET 70 3.931 7.409 -2.703 573 HE2 MET 70 HE2 MET 70 3.525 9.013 -2.093 574 HE3 MET 70 HE3 MET 70 3.766 7.677 -0.964 575 H GLU 71 H GLU 71 10.541 5.272 -2.340 576 HA GLU 71 HA GLU 71 9.339 3.659 -4.339 577 HB2 GLU 71 HB2 GLU 71 11.406 4.986 -4.681 578 HB3 GLU 71 HB3 GLU 71 12.280 3.921 -3.587 579 HG2 GLU 71 HG2 GLU 71 11.851 2.019 -5.184 580 HG3 GLU 71 HG3 GLU 71 11.111 3.175 -6.292 581 H GLN 72 H GLN 72 11.295 2.804 -1.501 582 HA GLN 72 HA GLN 72 11.480 0.001 -1.954 583 HB2 GLN 72 HB2 GLN 72 11.652 1.519 0.688 584 HB3 GLN 72 HB3 GLN 72 12.206 -0.135 0.413 585 HG2 GLN 72 HG2 GLN 72 13.862 0.728 -1.246 586 HG3 GLN 72 HG3 GLN 72 13.341 2.372 -0.871 587 HE21 GLN 72 HE21 GLN 72 15.012 -0.448 0.344 588 HE22 GLN 72 HE22 GLN 72 15.787 0.343 1.664 589 H LEU 73 H LEU 73 9.055 2.002 -0.388 590 HA LEU 73 HA LEU 73 7.436 -0.044 0.732 591 HB2 LEU 73 HB2 LEU 73 6.673 2.732 -0.253 592 HB3 LEU 73 HB3 LEU 73 5.641 1.696 0.725 593 HG LEU 73 HG LEU 73 8.353 2.749 1.635 594 HD11 LEU 73 HD11 LEU 73 6.758 4.604 1.407 595 HD12 LEU 73 HD12 LEU 73 7.141 4.293 3.097 596 HD13 LEU 73 HD13 LEU 73 5.602 3.746 2.429 597 HD21 LEU 73 HD21 LEU 73 6.192 1.280 3.198 598 HD22 LEU 73 HD22 LEU 73 7.684 1.939 3.870 599 HD23 LEU 73 HD23 LEU 73 7.757 0.617 2.710 600 H LEU 74 H LEU 74 7.339 1.542 -2.514 601 HA LEU 74 HA LEU 74 5.257 0.103 -3.713 602 HB2 LEU 74 HB2 LEU 74 7.810 1.283 -4.842 603 HB3 LEU 74 HB3 LEU 74 6.825 0.268 -5.878 604 HG LEU 74 HG LEU 74 4.906 1.860 -5.555 605 HD11 LEU 74 HD11 LEU 74 5.306 4.090 -4.642 606 HD12 LEU 74 HD12 LEU 74 6.941 3.623 -4.166 607 HD13 LEU 74 HD13 LEU 74 5.546 2.852 -3.410 608 HD21 LEU 74 HD21 LEU 74 7.450 3.082 -6.690 609 HD22 LEU 74 HD22 LEU 74 5.802 3.599 -7.054 610 HD23 LEU 74 HD23 LEU 74 6.344 1.997 -7.541 611 H GLU 75 H GLU 75 8.664 -0.813 -3.306 612 HA GLU 75 HA GLU 75 8.623 -3.218 -4.789 613 HB2 GLU 75 HB2 GLU 75 10.702 -1.953 -4.110 614 HB3 GLU 75 HB3 GLU 75 10.486 -2.548 -2.466 615 HG2 GLU 75 HG2 GLU 75 10.662 -4.898 -3.362 616 HG3 GLU 75 HG3 GLU 75 11.025 -4.225 -4.948 617 H GLU 76 H GLU 76 8.184 -2.635 -1.268 618 HA GLU 76 HA GLU 76 7.891 -5.335 -0.490 619 HB2 GLU 76 HB2 GLU 76 6.761 -2.828 0.813 620 HB3 GLU 76 HB3 GLU 76 6.651 -4.433 1.528 621 HG2 GLU 76 HG2 GLU 76 9.218 -4.496 1.409 622 HG3 GLU 76 HG3 GLU 76 9.132 -2.764 1.075 623 H ILE 77 H ILE 77 5.426 -2.956 -1.522 624 HA ILE 77 HA ILE 77 3.111 -4.526 -1.219 625 HB ILE 77 HB ILE 77 3.697 -2.398 -3.335 626 HG12 ILE 77 HG12 ILE 77 2.149 -2.152 -0.707 627 HG13 ILE 77 HG13 ILE 77 3.827 -1.665 -0.914 628 HG21 ILE 77 HG21 ILE 77 0.991 -3.568 -2.531 629 HG22 ILE 77 HG22 ILE 77 1.792 -3.778 -4.087 630 HG23 ILE 77 HG23 ILE 77 1.222 -2.184 -3.604 631 HD11 ILE 77 HD11 ILE 77 3.141 0.017 -2.544 632 HD12 ILE 77 HD12 ILE 77 2.335 0.230 -0.990 633 HD13 ILE 77 HD13 ILE 77 1.457 -0.479 -2.343 634 H GLU 78 H GLU 78 5.456 -4.384 -3.894 635 HA GLU 78 HA GLU 78 4.176 -6.168 -5.693 636 HB2 GLU 78 HB2 GLU 78 6.013 -4.621 -6.329 637 HB3 GLU 78 HB3 GLU 78 7.145 -5.572 -5.372 638 HG2 GLU 78 HG2 GLU 78 6.768 -7.512 -6.868 639 HG3 GLU 78 HG3 GLU 78 5.644 -6.556 -7.832 640 H LYS 79 H LYS 79 6.625 -6.728 -3.161 641 HA LYS 79 HA LYS 79 7.122 -9.472 -3.608 642 HB2 LYS 79 HB2 LYS 79 7.300 -7.952 -0.962 643 HB3 LYS 79 HB3 LYS 79 8.044 -9.512 -1.295 644 HG2 LYS 79 HG2 LYS 79 8.760 -6.863 -2.577 645 HG3 LYS 79 HG3 LYS 79 9.708 -7.738 -1.377 646 HD2 LYS 79 HD2 LYS 79 10.037 -9.586 -3.012 647 HD3 LYS 79 HD3 LYS 79 9.108 -8.684 -4.213 648 HE2 LYS 79 HE2 LYS 79 11.535 -8.449 -4.591 649 HE3 LYS 79 HE3 LYS 79 10.801 -6.893 -4.196 650 HZ1 LYS 79 HZ1 LYS 79 12.874 -7.199 -3.023 651 HZ2 LYS 79 HZ2 LYS 79 12.318 -8.632 -2.324 652 HZ3 LYS 79 HZ3 LYS 79 11.598 -7.159 -1.917 653 H LEU 80 H LEU 80 4.815 -7.837 -1.502 654 HA LEU 80 HA LEU 80 3.620 -10.218 -0.430 655 HB2 LEU 80 HB2 LEU 80 3.102 -7.268 -0.155 656 HB3 LEU 80 HB3 LEU 80 1.838 -8.379 0.331 657 HG LEU 80 HG LEU 80 3.155 -7.692 2.272 658 HD11 LEU 80 HD11 LEU 80 3.695 -9.898 3.201 659 HD12 LEU 80 HD12 LEU 80 3.637 -10.608 1.587 660 HD13 LEU 80 HD13 LEU 80 2.175 -9.928 2.309 661 HD21 LEU 80 HD21 LEU 80 5.299 -7.189 1.197 662 HD22 LEU 80 HD22 LEU 80 5.577 -8.907 0.900 663 HD23 LEU 80 HD23 LEU 80 5.520 -8.291 2.554 664 H LEU 81 H LEU 81 2.918 -8.126 -3.161 665 HA LEU 81 HA LEU 81 0.283 -8.964 -3.790 666 HB2 LEU 81 HB2 LEU 81 1.822 -7.029 -4.746 667 HB3 LEU 81 HB3 LEU 81 2.338 -8.226 -5.907 668 HG LEU 81 HG LEU 81 -0.540 -7.287 -5.559 669 HD11 LEU 81 HD11 LEU 81 -0.214 -5.983 -7.627 670 HD12 LEU 81 HD12 LEU 81 1.496 -6.426 -7.644 671 HD13 LEU 81 HD13 LEU 81 0.853 -5.429 -6.337 672 HD21 LEU 81 HD21 LEU 81 -0.427 -9.521 -6.529 673 HD22 LEU 81 HD22 LEU 81 0.718 -8.964 -7.751 674 HD23 LEU 81 HD23 LEU 81 -0.938 -8.351 -7.742 675 H LYS 82 H LYS 82 3.444 -10.078 -4.913 676 HA LYS 82 HA LYS 82 2.683 -12.384 -6.349 677 HB2 LYS 82 HB2 LYS 82 4.837 -11.427 -6.719 678 HB3 LYS 82 HB3 LYS 82 5.246 -11.444 -5.017 679 HG2 LYS 82 HG2 LYS 82 4.857 -14.111 -6.360 680 HG3 LYS 82 HG3 LYS 82 6.302 -13.187 -6.779 681 HD2 LYS 82 HD2 LYS 82 6.875 -13.047 -4.346 682 HD3 LYS 82 HD3 LYS 82 5.473 -14.051 -3.981 683 HE2 LYS 82 HE2 LYS 82 6.454 -15.920 -5.217 684 HE3 LYS 82 HE3 LYS 82 7.818 -14.912 -5.706 685 HZ1 LYS 82 HZ1 LYS 82 8.405 -16.302 -3.842 686 HZ2 LYS 82 HZ2 LYS 82 7.134 -15.678 -2.924 687 HZ3 LYS 82 HZ3 LYS 82 8.416 -14.679 -3.373 688 H LYS 83 H LYS 83 3.644 -11.925 -2.947 689 HA LYS 83 HA LYS 83 3.644 -14.644 -2.164 690 HB2 LYS 83 HB2 LYS 83 4.851 -12.812 -0.980 691 HB3 LYS 83 HB3 LYS 83 3.310 -12.168 -0.427 692 HG2 LYS 83 HG2 LYS 83 2.907 -14.169 0.910 693 HG3 LYS 83 HG3 LYS 83 4.376 -14.923 0.286 694 HD2 LYS 83 HD2 LYS 83 5.764 -13.230 1.396 695 HD3 LYS 83 HD3 LYS 83 4.327 -12.355 1.931 696 HE2 LYS 83 HE2 LYS 83 5.325 -13.696 3.752 697 HE3 LYS 83 HE3 LYS 83 3.688 -14.234 3.370 698 HZ1 LYS 83 HZ1 LYS 83 6.212 -15.518 2.495 699 HZ2 LYS 83 HZ2 LYS 83 4.667 -16.024 2.047 700 HZ3 LYS 83 HZ3 LYS 83 5.142 -16.100 3.663 701 H ALA 84 H ALA 84 1.055 -12.282 -2.361 702 HA ALA 84 HA ALA 84 -0.885 -13.754 -0.797 703 HB1 ALA 84 HB1 ALA 84 -1.290 -11.373 -2.637 704 HB2 ALA 84 HB2 ALA 84 -0.951 -11.293 -0.909 705 HB3 ALA 84 HB3 ALA 84 -2.465 -11.997 -1.475 706 H GLY 85 H GLY 85 0.366 -14.696 -3.623 707 HA2 GLY 85 HA2 GLY 85 -1.867 -15.349 -5.247 708 HA3 GLY 85 HA3 GLY 85 -0.299 -16.142 -5.270 709 H SER 86 H SER 86 -3.361 -16.024 -3.462 710 HA SER 86 HA SER 86 -2.989 -18.603 -2.199 711 HB2 SER 86 HB2 SER 86 -5.448 -16.798 -2.297 712 HB3 SER 86 HB3 SER 86 -5.266 -18.224 -1.273 713 HG SER 86 HG SER 86 -4.484 -15.730 -0.778 714 H LEU 87 H LEU 87 -3.452 -20.516 -3.111 715 HA LEU 87 HA LEU 87 -4.006 -22.135 -4.559 716 HB2 LEU 87 HB2 LEU 87 -6.426 -20.374 -5.093 717 HB3 LEU 87 HB3 LEU 87 -6.174 -21.875 -5.965 718 HG LEU 87 HG LEU 87 -6.190 -23.094 -3.747 719 HD11 LEU 87 HD11 LEU 87 -7.166 -22.013 -1.767 720 HD12 LEU 87 HD12 LEU 87 -7.172 -20.455 -2.600 721 HD13 LEU 87 HD13 LEU 87 -5.643 -21.251 -2.219 722 HD21 LEU 87 HD21 LEU 87 -8.717 -21.572 -4.459 723 HD22 LEU 87 HD22 LEU 87 -8.637 -23.059 -3.512 724 HD23 LEU 87 HD23 LEU 87 -8.155 -23.072 -5.205 725 H VAL 88 H VAL 88 -4.944 -19.232 -6.461 726 HA VAL 88 HA VAL 88 -3.591 -20.028 -8.826 727 HB VAL 88 HB VAL 88 -4.029 -17.685 -9.641 728 HG11 VAL 88 HG11 VAL 88 -6.426 -19.039 -8.342 729 HG12 VAL 88 HG12 VAL 88 -5.747 -19.425 -9.923 730 HG13 VAL 88 HG13 VAL 88 -6.498 -17.853 -9.651 731 HG21 VAL 88 HG21 VAL 88 -5.210 -17.226 -6.862 732 HG22 VAL 88 HG22 VAL 88 -5.342 -16.112 -8.227 733 HG23 VAL 88 HG23 VAL 88 -3.766 -16.449 -7.516 734 HA PRO 89 HA PRO 89 0.555 -18.888 -7.424 735 HB2 PRO 89 HB2 PRO 89 1.998 -19.583 -9.592 736 HB3 PRO 89 HB3 PRO 89 1.126 -20.805 -8.651 737 HG2 PRO 89 HG2 PRO 89 0.305 -19.461 -11.227 738 HG3 PRO 89 HG3 PRO 89 0.266 -21.189 -10.810 739 HD2 PRO 89 HD2 PRO 89 -1.938 -19.536 -10.644 740 HD3 PRO 89 HD3 PRO 89 -1.729 -20.984 -9.631 741 H ARG 90 H ARG 90 -1.210 -16.983 -9.465 742 HA ARG 90 HA ARG 90 0.678 -14.768 -9.319 743 HB2 ARG 90 HB2 ARG 90 1.025 -16.067 -11.552 744 HB3 ARG 90 HB3 ARG 90 -0.551 -15.470 -12.028 745 HG2 ARG 90 HG2 ARG 90 1.803 -13.672 -11.345 746 HG3 ARG 90 HG3 ARG 90 1.432 -14.227 -12.971 747 HD2 ARG 90 HD2 ARG 90 0.475 -12.111 -12.988 748 HD3 ARG 90 HD3 ARG 90 -0.914 -13.098 -12.529 749 HE ARG 90 HE ARG 90 0.512 -12.114 -10.250 750 HH11 ARG 90 HH11 ARG 90 -1.917 -11.165 -12.551 751 HH12 ARG 90 HH12 ARG 90 -2.470 -9.873 -11.543 752 HH21 ARG 90 HH21 ARG 90 -0.251 -10.475 -9.041 753 HH22 ARG 90 HH22 ARG 90 -1.549 -9.481 -9.623 754 H GLY 91 H GLY 91 -2.362 -15.573 -11.048 755 HA2 GLY 91 HA2 GLY 91 -4.511 -14.782 -10.012 756 HA3 GLY 91 HA3 GLY 91 -3.716 -13.225 -9.805 757 H SER 92 H SER 92 -5.415 -15.291 -11.991 758 HA SER 92 HA SER 92 -4.794 -13.709 -14.381 759 HB2 SER 92 HB2 SER 92 -6.150 -15.415 -15.588 760 HB3 SER 92 HB3 SER 92 -4.863 -16.147 -14.629 761 HG SER 92 HG SER 92 -7.543 -16.491 -14.467 762 H TYR 93 H TYR 93 -6.013 -12.062 -15.061 763 HA TYR 93 HA TYR 93 -8.529 -11.308 -13.858 764 HB2 TYR 93 HB2 TYR 93 -7.012 -10.145 -16.228 765 HB3 TYR 93 HB3 TYR 93 -8.460 -9.427 -15.532 766 HD1 TYR 93 HD2 TYR 93 -8.392 -8.407 -13.240 767 HD2 TYR 93 HD1 TYR 93 -4.835 -9.899 -15.099 768 HE1 TYR 93 HE2 TYR 93 -7.019 -7.145 -11.637 769 HE2 TYR 93 HE1 TYR 93 -3.469 -8.645 -13.483 770 HH TYR 93 HH TYR 93 -4.732 -7.281 -10.670 771 H LEU 94 H LEU 94 -7.532 -12.486 -17.069 772 HA LEU 94 HA LEU 94 -10.201 -13.010 -18.008 773 HB2 LEU 94 HB2 LEU 94 -7.493 -13.968 -19.019 774 HB3 LEU 94 HB3 LEU 94 -9.014 -14.398 -19.783 775 HG LEU 94 HG LEU 94 -9.404 -11.872 -20.124 776 HD11 LEU 94 HD11 LEU 94 -7.752 -10.988 -18.554 777 HD12 LEU 94 HD12 LEU 94 -7.443 -10.400 -20.185 778 HD13 LEU 94 HD13 LEU 94 -6.440 -11.686 -19.506 779 HD21 LEU 94 HD21 LEU 94 -8.047 -11.807 -22.179 780 HD22 LEU 94 HD22 LEU 94 -8.826 -13.371 -21.967 781 HD23 LEU 94 HD23 LEU 94 -7.107 -13.192 -21.612 782 H GLU 95 H GLU 95 -11.424 -14.693 -17.475 783 HA GLU 95 HA GLU 95 -12.255 -16.547 -16.542 784 HB2 GLU 95 HB2 GLU 95 -10.883 -17.727 -18.220 785 HB3 GLU 95 HB3 GLU 95 -9.508 -17.726 -17.125 786 HG2 GLU 95 HG2 GLU 95 -10.600 -19.925 -17.225 787 HG3 GLU 95 HG3 GLU 95 -10.648 -19.240 -15.603 788 H HIS 96 H HIS 96 -12.730 -15.978 -14.488 789 HA HIS 96 HA HIS 96 -10.692 -15.974 -12.349 790 HB2 HIS 96 HB2 HIS 96 -13.500 -14.835 -12.558 791 HB3 HIS 96 HB3 HIS 96 -12.683 -14.958 -11.007 792 HD1 HIS 96 HD1 HIS 96 -13.306 -12.554 -13.505 793 HD2 HIS 96 HD2 HIS 96 -9.960 -13.552 -11.260 794 HE1 HIS 96 HE1 HIS 96 -11.868 -10.511 -13.502 795 HE2 HIS 96 HE2 HIS 96 -9.970 -11.071 -11.956 796 H HIS 97 H HIS 97 -11.585 -18.549 -13.415 797 HA HIS 97 HA HIS 97 -13.328 -19.868 -11.604 798 HB2 HIS 97 HB2 HIS 97 -12.330 -21.981 -12.461 799 HB3 HIS 97 HB3 HIS 97 -12.805 -20.883 -13.746 800 HD1 HIS 97 HD1 HIS 97 -9.714 -19.498 -12.783 801 HD2 HIS 97 HD2 HIS 97 -10.768 -22.989 -14.773 802 HE1 HIS 97 HE1 HIS 97 -7.685 -20.180 -14.061 803 HE2 HIS 97 HE2 HIS 97 -8.290 -22.383 -15.115 804 H HIS 98 H HIS 98 -13.054 -20.645 -9.572 805 HA HIS 98 HA HIS 98 -10.396 -20.975 -8.369 806 HB2 HIS 98 HB2 HIS 98 -11.120 -18.530 -8.092 807 HB3 HIS 98 HB3 HIS 98 -12.468 -19.102 -7.120 808 HD1 HIS 98 HD1 HIS 98 -11.922 -19.879 -4.699 809 HD2 HIS 98 HD2 HIS 98 -8.588 -18.613 -6.831 810 HE1 HIS 98 HE1 HIS 98 -10.125 -19.555 -2.995 811 HE2 HIS 98 HE2 HIS 98 -8.194 -18.589 -4.278 812 H HIS 99 H HIS 99 -10.415 -22.593 -6.797 813 HA HIS 99 HA HIS 99 -12.750 -24.197 -6.412 814 HB2 HIS 99 HB2 HIS 99 -10.467 -25.162 -6.340 815 HB3 HIS 99 HB3 HIS 99 -10.108 -24.238 -4.887 816 HD1 HIS 99 HD1 HIS 99 -10.797 -25.269 -2.676 817 HD2 HIS 99 HD2 HIS 99 -12.417 -27.289 -5.920 818 HE1 HIS 99 HE1 HIS 99 -11.823 -27.340 -1.726 819 HE2 HIS 99 HE2 HIS 99 -12.589 -28.642 -3.730 820 H HIS 100 H HIS 100 -14.153 -24.349 -4.667 821 HA HIS 100 HA HIS 100 -14.654 -22.071 -3.064 822 HB2 HIS 100 HB2 HIS 100 -16.388 -23.500 -1.949 823 HB3 HIS 100 HB3 HIS 100 -16.482 -23.532 -3.703 824 HD1 HIS 100 HD1 HIS 100 -16.840 -25.799 -4.630 825 HD2 HIS 100 HD2 HIS 100 -14.870 -25.982 -0.976 826 HE1 HIS 100 HE1 HIS 100 -16.602 -28.232 -4.110 827 HE2 HIS 100 HE2 HIS 100 -15.612 -28.303 -1.817 828 H HIS 101 H HIS 101 -14.995 -22.239 -0.611 829 HA HIS 101 HA HIS 101 -12.529 -22.865 0.714 830 HB2 HIS 101 HB2 HIS 101 -14.033 -20.926 1.339 831 HB3 HIS 101 HB3 HIS 101 -15.197 -22.081 1.982 832 HD1 HIS 101 HD1 HIS 101 -14.417 -23.435 4.141 833 HD2 HIS 101 HD2 HIS 101 -11.924 -20.299 3.040 834 HE1 HIS 101 HE1 HIS 101 -12.942 -23.027 6.118 835 HE2 HIS 101 HE2 HIS 101 -11.511 -21.070 5.468 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -7.686 -19.266 11.198 2 H2 MET 1 H2 MET 1 -6.430 -18.158 11.404 3 H3 MET 1 H3 MET 1 -6.668 -19.381 12.543 4 HA MET 1 HA MET 1 -6.102 -21.066 10.963 5 HB2 MET 1 HB2 MET 1 -5.336 -20.503 8.707 6 HB3 MET 1 HB3 MET 1 -6.958 -19.880 8.964 7 HG2 MET 1 HG2 MET 1 -4.413 -18.240 9.051 8 HG3 MET 1 HG3 MET 1 -5.549 -18.309 7.707 9 HE1 MET 1 HE1 MET 1 -6.228 -14.703 8.988 10 HE2 MET 1 HE2 MET 1 -5.977 -15.715 7.568 11 HE3 MET 1 HE3 MET 1 -4.688 -15.532 8.764 12 H GLN 2 H GLN 2 -3.639 -21.039 9.753 13 HA GLN 2 HA GLN 2 -1.789 -20.859 11.831 14 HB2 GLN 2 HB2 GLN 2 -1.258 -20.819 8.838 15 HB3 GLN 2 HB3 GLN 2 -0.024 -21.095 10.067 16 HG2 GLN 2 HG2 GLN 2 -1.201 -23.147 10.782 17 HG3 GLN 2 HG3 GLN 2 -2.424 -22.876 9.540 18 HE21 GLN 2 HE21 GLN 2 0.888 -23.790 10.137 19 HE22 GLN 2 HE22 GLN 2 1.198 -24.442 8.570 20 H GLU 3 H GLU 3 -0.044 -19.504 12.266 21 HA GLU 3 HA GLU 3 -0.652 -16.754 12.360 22 HB2 GLU 3 HB2 GLU 3 2.014 -18.124 12.908 23 HB3 GLU 3 HB3 GLU 3 1.577 -16.491 13.415 24 HG2 GLU 3 HG2 GLU 3 -0.236 -17.434 14.834 25 HG3 GLU 3 HG3 GLU 3 0.252 -19.059 14.347 26 H GLU 4 H GLU 4 1.366 -18.613 10.162 27 HA GLU 4 HA GLU 4 2.842 -16.552 8.933 28 HB2 GLU 4 HB2 GLU 4 3.155 -18.191 7.070 29 HB3 GLU 4 HB3 GLU 4 3.463 -18.873 8.662 30 HG2 GLU 4 HG2 GLU 4 1.176 -19.891 8.631 31 HG3 GLU 4 HG3 GLU 4 0.967 -19.297 6.984 32 H ARG 5 H ARG 5 -0.424 -17.757 8.215 33 HA ARG 5 HA ARG 5 -0.774 -16.100 5.858 34 HB2 ARG 5 HB2 ARG 5 -1.935 -18.300 6.124 35 HB3 ARG 5 HB3 ARG 5 -2.887 -17.624 7.441 36 HG2 ARG 5 HG2 ARG 5 -3.969 -16.051 5.923 37 HG3 ARG 5 HG3 ARG 5 -2.920 -16.547 4.595 38 HD2 ARG 5 HD2 ARG 5 -3.929 -18.806 4.644 39 HD3 ARG 5 HD3 ARG 5 -4.971 -18.309 5.982 40 HE ARG 5 HE ARG 5 -5.851 -16.577 4.369 41 HH11 ARG 5 HH11 ARG 5 -4.687 -19.622 3.217 42 HH12 ARG 5 HH12 ARG 5 -5.683 -19.567 1.805 43 HH21 ARG 5 HH21 ARG 5 -7.093 -16.543 2.564 44 HH22 ARG 5 HH22 ARG 5 -7.024 -17.860 1.443 45 H LYS 6 H LYS 6 -1.645 -15.881 9.293 46 HA LYS 6 HA LYS 6 -3.031 -13.400 9.182 47 HB2 LYS 6 HB2 LYS 6 -1.773 -15.050 11.331 48 HB3 LYS 6 HB3 LYS 6 -1.813 -13.332 11.693 49 HG2 LYS 6 HG2 LYS 6 -4.236 -15.017 10.970 50 HG3 LYS 6 HG3 LYS 6 -3.764 -14.548 12.608 51 HD2 LYS 6 HD2 LYS 6 -4.026 -12.144 11.967 52 HD3 LYS 6 HD3 LYS 6 -4.569 -12.644 10.363 53 HE2 LYS 6 HE2 LYS 6 -6.522 -13.761 11.359 54 HE3 LYS 6 HE3 LYS 6 -5.957 -13.331 12.976 55 HZ1 LYS 6 HZ1 LYS 6 -6.759 -11.422 10.851 56 HZ2 LYS 6 HZ2 LYS 6 -6.186 -10.997 12.379 57 HZ3 LYS 6 HZ3 LYS 6 -7.659 -11.808 12.230 58 H LYS 7 H LYS 7 0.421 -14.178 9.395 59 HA LYS 7 HA LYS 7 1.435 -11.554 9.701 60 HB2 LYS 7 HB2 LYS 7 2.706 -14.070 8.573 61 HB3 LYS 7 HB3 LYS 7 3.582 -12.546 8.684 62 HG2 LYS 7 HG2 LYS 7 3.263 -12.546 11.146 63 HG3 LYS 7 HG3 LYS 7 2.411 -14.088 11.022 64 HD2 LYS 7 HD2 LYS 7 4.721 -14.496 11.698 65 HD3 LYS 7 HD3 LYS 7 4.465 -15.131 10.072 66 HE2 LYS 7 HE2 LYS 7 5.520 -13.060 9.141 67 HE3 LYS 7 HE3 LYS 7 5.841 -12.520 10.791 68 HZ1 LYS 7 HZ1 LYS 7 7.776 -13.548 9.867 69 HZ2 LYS 7 HZ2 LYS 7 6.921 -14.958 9.497 70 HZ3 LYS 7 HZ3 LYS 7 7.179 -14.523 11.110 71 H LEU 8 H LEU 8 0.460 -13.404 6.875 72 HA LEU 8 HA LEU 8 1.442 -11.735 4.829 73 HB2 LEU 8 HB2 LEU 8 0.606 -14.016 4.451 74 HB3 LEU 8 HB3 LEU 8 -1.013 -13.530 4.926 75 HG LEU 8 HG LEU 8 -1.169 -12.076 2.912 76 HD11 LEU 8 HD11 LEU 8 0.529 -12.230 1.127 77 HD12 LEU 8 HD12 LEU 8 1.563 -13.185 2.191 78 HD13 LEU 8 HD13 LEU 8 1.177 -11.513 2.599 79 HD21 LEU 8 HD21 LEU 8 -0.432 -14.954 2.258 80 HD22 LEU 8 HD22 LEU 8 -1.378 -13.864 1.239 81 HD23 LEU 8 HD23 LEU 8 -2.016 -14.383 2.796 82 H LEU 9 H LEU 9 -1.598 -11.649 6.660 83 HA LEU 9 HA LEU 9 -2.836 -9.542 5.131 84 HB2 LEU 9 HB2 LEU 9 -3.595 -10.629 7.872 85 HB3 LEU 9 HB3 LEU 9 -4.616 -9.649 6.827 86 HG LEU 9 HG LEU 9 -3.666 -12.478 6.227 87 HD11 LEU 9 HD11 LEU 9 -6.021 -13.133 6.512 88 HD12 LEU 9 HD12 LEU 9 -6.425 -11.483 6.992 89 HD13 LEU 9 HD13 LEU 9 -5.343 -12.456 7.992 90 HD21 LEU 9 HD21 LEU 9 -3.889 -11.184 4.140 91 HD22 LEU 9 HD22 LEU 9 -5.534 -10.727 4.583 92 HD23 LEU 9 HD23 LEU 9 -5.143 -12.415 4.258 93 H GLU 10 H GLU 10 -1.418 -9.678 8.439 94 HA GLU 10 HA GLU 10 -1.773 -6.916 9.001 95 HB2 GLU 10 HB2 GLU 10 -0.337 -7.258 10.977 96 HB3 GLU 10 HB3 GLU 10 -1.572 -8.493 10.843 97 HG2 GLU 10 HG2 GLU 10 0.213 -9.790 11.473 98 HG3 GLU 10 HG3 GLU 10 0.355 -9.906 9.726 99 H LYS 11 H LYS 11 0.898 -8.704 7.497 100 HA LYS 11 HA LYS 11 2.859 -6.670 7.567 101 HB2 LYS 11 HB2 LYS 11 3.451 -8.970 6.980 102 HB3 LYS 11 HB3 LYS 11 2.476 -8.885 5.520 103 HG2 LYS 11 HG2 LYS 11 3.995 -7.313 4.500 104 HG3 LYS 11 HG3 LYS 11 4.900 -7.126 6.010 105 HD2 LYS 11 HD2 LYS 11 5.594 -9.517 5.871 106 HD3 LYS 11 HD3 LYS 11 4.712 -9.674 4.348 107 HE2 LYS 11 HE2 LYS 11 7.147 -9.350 4.017 108 HE3 LYS 11 HE3 LYS 11 6.187 -8.067 3.279 109 HZ1 LYS 11 HZ1 LYS 11 6.669 -6.681 5.222 110 HZ2 LYS 11 HZ2 LYS 11 8.075 -7.150 4.415 111 HZ3 LYS 11 HZ3 LYS 11 7.642 -7.908 5.863 112 H LEU 12 H LEU 12 0.268 -7.364 5.241 113 HA LEU 12 HA LEU 12 0.886 -5.396 3.326 114 HB2 LEU 12 HB2 LEU 12 -0.759 -7.327 3.107 115 HB3 LEU 12 HB3 LEU 12 -1.899 -6.399 4.060 116 HG LEU 12 HG LEU 12 -2.247 -6.409 1.512 117 HD11 LEU 12 HD11 LEU 12 -2.964 -4.089 1.347 118 HD12 LEU 12 HD12 LEU 12 -2.021 -3.669 2.780 119 HD13 LEU 12 HD13 LEU 12 -3.396 -4.765 2.916 120 HD21 LEU 12 HD21 LEU 12 0.117 -6.161 0.871 121 HD22 LEU 12 HD22 LEU 12 0.124 -4.516 1.514 122 HD23 LEU 12 HD23 LEU 12 -0.901 -4.926 0.134 123 H GLU 13 H GLU 13 -1.353 -5.240 6.119 124 HA GLU 13 HA GLU 13 -2.038 -2.500 5.997 125 HB2 GLU 13 HB2 GLU 13 -1.835 -4.282 8.462 126 HB3 GLU 13 HB3 GLU 13 -2.755 -2.782 8.346 127 HG2 GLU 13 HG2 GLU 13 -4.246 -3.782 6.687 128 HG3 GLU 13 HG3 GLU 13 -3.299 -5.268 6.696 129 H LYS 14 H LYS 14 0.757 -4.110 7.332 130 HA LYS 14 HA LYS 14 1.840 -1.926 8.849 131 HB2 LYS 14 HB2 LYS 14 2.251 -4.305 9.370 132 HB3 LYS 14 HB3 LYS 14 3.109 -4.499 7.850 133 HG2 LYS 14 HG2 LYS 14 4.947 -3.153 8.608 134 HG3 LYS 14 HG3 LYS 14 4.044 -2.597 10.022 135 HD2 LYS 14 HD2 LYS 14 5.705 -4.338 10.636 136 HD3 LYS 14 HD3 LYS 14 4.055 -4.860 10.972 137 HE2 LYS 14 HE2 LYS 14 4.143 -6.067 8.695 138 HE3 LYS 14 HE3 LYS 14 5.881 -5.768 8.728 139 HZ1 LYS 14 HZ1 LYS 14 5.475 -7.919 9.611 140 HZ2 LYS 14 HZ2 LYS 14 4.274 -7.348 10.655 141 HZ3 LYS 14 HZ3 LYS 14 5.893 -6.930 10.921 142 H ILE 15 H ILE 15 2.276 -3.134 5.513 143 HA ILE 15 HA ILE 15 4.331 -1.372 4.651 144 HB ILE 15 HB ILE 15 1.903 -2.219 2.980 145 HG12 ILE 15 HG12 ILE 15 4.614 -3.605 3.200 146 HG13 ILE 15 HG13 ILE 15 3.098 -4.207 3.855 147 HG21 ILE 15 HG21 ILE 15 4.648 -1.224 2.093 148 HG22 ILE 15 HG22 ILE 15 3.131 -0.332 1.981 149 HG23 ILE 15 HG23 ILE 15 3.366 -1.786 1.017 150 HD11 ILE 15 HD11 ILE 15 3.700 -3.791 0.936 151 HD12 ILE 15 HD12 ILE 15 2.194 -4.430 1.609 152 HD13 ILE 15 HD13 ILE 15 3.700 -5.324 1.800 153 H LEU 16 H LEU 16 0.767 -1.073 4.570 154 HA LEU 16 HA LEU 16 0.445 1.540 3.688 155 HB2 LEU 16 HB2 LEU 16 -1.242 -0.249 5.452 156 HB3 LEU 16 HB3 LEU 16 -1.744 1.408 5.181 157 HG LEU 16 HG LEU 16 -2.049 1.027 2.804 158 HD11 LEU 16 HD11 LEU 16 -0.175 -0.519 2.364 159 HD12 LEU 16 HD12 LEU 16 -1.690 -1.095 1.680 160 HD13 LEU 16 HD13 LEU 16 -1.065 -1.818 3.163 161 HD21 LEU 16 HD21 LEU 16 -3.879 -0.608 2.828 162 HD22 LEU 16 HD22 LEU 16 -3.919 0.393 4.277 163 HD23 LEU 16 HD23 LEU 16 -3.304 -1.259 4.368 164 H ASP 17 H ASP 17 1.152 0.416 6.974 165 HA ASP 17 HA ASP 17 0.937 2.920 8.312 166 HB2 ASP 17 HB2 ASP 17 0.960 0.673 9.437 167 HB3 ASP 17 HB3 ASP 17 2.667 0.511 9.039 168 H GLU 18 H GLU 18 3.728 1.227 6.822 169 HA GLU 18 HA GLU 18 5.713 3.234 7.287 170 HB2 GLU 18 HB2 GLU 18 5.587 1.102 5.106 171 HB3 GLU 18 HB3 GLU 18 7.020 2.032 5.532 172 HG2 GLU 18 HG2 GLU 18 7.092 0.995 7.733 173 HG3 GLU 18 HG3 GLU 18 5.588 0.135 7.408 174 H VAL 19 H VAL 19 3.304 2.798 4.774 175 HA VAL 19 HA VAL 19 4.383 4.588 2.823 176 HB VAL 19 HB VAL 19 1.573 3.421 3.080 177 HG11 VAL 19 HG11 VAL 19 1.218 4.125 0.722 178 HG12 VAL 19 HG12 VAL 19 2.767 4.976 0.751 179 HG13 VAL 19 HG13 VAL 19 1.449 5.505 1.796 180 HG21 VAL 19 HG21 VAL 19 2.266 1.898 1.273 181 HG22 VAL 19 HG22 VAL 19 3.363 1.754 2.643 182 HG23 VAL 19 HG23 VAL 19 3.861 2.658 1.215 183 H THR 20 H THR 20 1.657 4.855 5.126 184 HA THR 20 HA THR 20 0.963 7.541 4.614 185 HB THR 20 HB THR 20 -0.139 7.485 6.889 186 HG1 THR 20 HG1 THR 20 0.479 4.770 7.170 187 HG21 THR 20 HG21 THR 20 -0.664 5.016 5.187 188 HG22 THR 20 HG22 THR 20 -1.358 6.615 4.911 189 HG23 THR 20 HG23 THR 20 -1.772 5.715 6.371 190 H ASP 21 H ASP 21 3.325 6.132 6.865 191 HA ASP 21 HA ASP 21 4.118 8.546 8.156 192 HB2 ASP 21 HB2 ASP 21 4.549 6.300 9.100 193 HB3 ASP 21 HB3 ASP 21 5.652 5.934 7.778 194 H GLY 22 H GLY 22 5.427 6.817 5.300 195 HA2 GLY 22 HA2 GLY 22 7.474 8.882 4.809 196 HA3 GLY 22 HA3 GLY 22 7.289 7.359 3.955 197 H ALA 23 H ALA 23 4.337 8.968 4.244 198 HA ALA 23 HA ALA 23 4.151 9.513 1.417 199 HB1 ALA 23 HB1 ALA 23 1.810 10.077 1.910 200 HB2 ALA 23 HB2 ALA 23 2.151 9.972 3.641 201 HB3 ALA 23 HB3 ALA 23 2.272 8.532 2.630 202 HA PRO 24 HA PRO 24 4.733 14.103 1.628 203 HB2 PRO 24 HB2 PRO 24 2.930 13.941 -0.786 204 HB3 PRO 24 HB3 PRO 24 4.457 14.815 -0.587 205 HG2 PRO 24 HG2 PRO 24 4.383 12.559 -2.018 206 HG3 PRO 24 HG3 PRO 24 5.756 12.886 -0.932 207 HD2 PRO 24 HD2 PRO 24 3.385 11.059 -0.501 208 HD3 PRO 24 HD3 PRO 24 5.104 10.789 -0.118 209 H ASP 25 H ASP 25 3.372 15.717 2.454 210 HA ASP 25 HA ASP 25 1.407 15.016 4.225 211 HB2 ASP 25 HB2 ASP 25 1.725 17.743 2.903 212 HB3 ASP 25 HB3 ASP 25 0.873 17.443 4.415 213 H GLU 26 H GLU 26 0.720 16.689 1.135 214 HA GLU 26 HA GLU 26 -2.135 16.474 1.368 215 HB2 GLU 26 HB2 GLU 26 -2.156 17.459 -0.929 216 HB3 GLU 26 HB3 GLU 26 -1.194 18.378 0.219 217 HG2 GLU 26 HG2 GLU 26 0.876 17.346 -0.725 218 HG3 GLU 26 HG3 GLU 26 -0.114 16.507 -1.916 219 H ALA 27 H ALA 27 0.329 14.600 -0.334 220 HA ALA 27 HA ALA 27 -1.425 12.978 -1.917 221 HB1 ALA 27 HB1 ALA 27 1.434 12.407 -1.064 222 HB2 ALA 27 HB2 ALA 27 0.948 13.285 -2.516 223 HB3 ALA 27 HB3 ALA 27 0.546 11.576 -2.344 224 H ARG 28 H ARG 28 -0.404 12.832 1.411 225 HA ARG 28 HA ARG 28 -0.794 10.069 1.924 226 HB2 ARG 28 HB2 ARG 28 0.486 11.525 3.482 227 HB3 ARG 28 HB3 ARG 28 -0.997 12.380 3.908 228 HG2 ARG 28 HG2 ARG 28 -1.943 10.183 4.719 229 HG3 ARG 28 HG3 ARG 28 -0.366 9.452 4.435 230 HD2 ARG 28 HD2 ARG 28 0.647 10.812 6.147 231 HD3 ARG 28 HD3 ARG 28 -0.830 11.780 6.320 232 HE ARG 28 HE ARG 28 -1.581 9.164 6.752 233 HH11 ARG 28 HH11 ARG 28 0.670 11.276 8.322 234 HH12 ARG 28 HH12 ARG 28 0.323 10.606 9.878 235 HH21 ARG 28 HH21 ARG 28 -1.998 8.370 8.686 236 HH22 ARG 28 HH22 ARG 28 -1.167 8.969 10.081 237 H GLU 29 H GLU 29 -2.993 12.812 1.875 238 HA GLU 29 HA GLU 29 -5.229 11.779 3.193 239 HB2 GLU 29 HB2 GLU 29 -5.070 13.719 0.851 240 HB3 GLU 29 HB3 GLU 29 -6.524 13.451 1.812 241 HG2 GLU 29 HG2 GLU 29 -3.887 14.504 2.898 242 HG3 GLU 29 HG3 GLU 29 -5.286 15.497 2.484 243 H ARG 30 H ARG 30 -4.203 11.330 -0.168 244 HA ARG 30 HA ARG 30 -6.345 9.800 -1.186 245 HB2 ARG 30 HB2 ARG 30 -4.436 10.784 -2.508 246 HB3 ARG 30 HB3 ARG 30 -3.363 9.567 -1.834 247 HG2 ARG 30 HG2 ARG 30 -3.990 8.954 -4.099 248 HG3 ARG 30 HG3 ARG 30 -4.696 7.791 -2.971 249 HD2 ARG 30 HD2 ARG 30 -6.874 8.830 -3.168 250 HD3 ARG 30 HD3 ARG 30 -6.204 10.174 -4.097 251 HE ARG 30 HE ARG 30 -5.786 7.627 -5.352 252 HH11 ARG 30 HH11 ARG 30 -8.121 10.150 -4.964 253 HH12 ARG 30 HH12 ARG 30 -8.898 9.792 -6.466 254 HH21 ARG 30 HH21 ARG 30 -6.806 7.207 -7.256 255 HH22 ARG 30 HH22 ARG 30 -8.159 8.169 -7.743 256 H ILE 31 H ILE 31 -3.404 8.880 0.530 257 HA ILE 31 HA ILE 31 -3.693 6.043 0.381 258 HB ILE 31 HB ILE 31 -1.971 7.682 2.319 259 HG12 ILE 31 HG12 ILE 31 -1.203 6.617 -0.440 260 HG13 ILE 31 HG13 ILE 31 -1.654 8.285 -0.123 261 HG21 ILE 31 HG21 ILE 31 -1.618 4.806 1.351 262 HG22 ILE 31 HG22 ILE 31 -2.138 5.295 2.964 263 HG23 ILE 31 HG23 ILE 31 -0.512 5.686 2.410 264 HD11 ILE 31 HD11 ILE 31 0.292 8.542 1.312 265 HD12 ILE 31 HD12 ILE 31 0.736 8.012 -0.310 266 HD13 ILE 31 HD13 ILE 31 0.732 6.861 1.020 267 H GLU 32 H GLU 32 -4.615 8.462 2.819 268 HA GLU 32 HA GLU 32 -5.196 6.794 5.019 269 HB2 GLU 32 HB2 GLU 32 -6.283 9.538 4.242 270 HB3 GLU 32 HB3 GLU 32 -6.660 8.770 5.776 271 HG2 GLU 32 HG2 GLU 32 -3.840 9.435 4.884 272 HG3 GLU 32 HG3 GLU 32 -4.843 10.515 5.849 273 H LYS 33 H LYS 33 -7.389 8.221 2.588 274 HA LYS 33 HA LYS 33 -9.767 6.979 3.498 275 HB2 LYS 33 HB2 LYS 33 -9.070 8.299 0.851 276 HB3 LYS 33 HB3 LYS 33 -10.680 7.679 1.205 277 HG2 LYS 33 HG2 LYS 33 -10.799 9.209 3.180 278 HG3 LYS 33 HG3 LYS 33 -9.234 9.881 2.717 279 HD2 LYS 33 HD2 LYS 33 -11.672 9.913 0.889 280 HD3 LYS 33 HD3 LYS 33 -11.275 11.231 1.990 281 HE2 LYS 33 HE2 LYS 33 -9.418 10.235 -0.199 282 HE3 LYS 33 HE3 LYS 33 -10.507 11.613 -0.366 283 HZ1 LYS 33 HZ1 LYS 33 -8.314 11.378 1.618 284 HZ2 LYS 33 HZ2 LYS 33 -9.365 12.689 1.464 285 HZ3 LYS 33 HZ3 LYS 33 -8.292 12.321 0.218 286 H LEU 34 H LEU 34 -7.408 5.990 1.042 287 HA LEU 34 HA LEU 34 -8.911 3.771 0.030 288 HB2 LEU 34 HB2 LEU 34 -7.098 4.937 -1.227 289 HB3 LEU 34 HB3 LEU 34 -5.914 4.282 -0.108 290 HG LEU 34 HG LEU 34 -6.445 1.973 -0.890 291 HD11 LEU 34 HD11 LEU 34 -8.799 2.260 -1.526 292 HD12 LEU 34 HD12 LEU 34 -7.875 1.590 -2.867 293 HD13 LEU 34 HD13 LEU 34 -8.331 3.296 -2.879 294 HD21 LEU 34 HD21 LEU 34 -5.752 3.873 -3.165 295 HD22 LEU 34 HD22 LEU 34 -5.426 2.139 -3.129 296 HD23 LEU 34 HD23 LEU 34 -4.620 3.206 -1.985 297 H ALA 35 H ALA 35 -6.318 4.065 2.450 298 HA ALA 35 HA ALA 35 -5.850 1.346 3.031 299 HB1 ALA 35 HB1 ALA 35 -4.304 3.151 3.689 300 HB2 ALA 35 HB2 ALA 35 -4.733 2.145 5.072 301 HB3 ALA 35 HB3 ALA 35 -5.475 3.736 4.873 302 H LYS 36 H LYS 36 -8.310 3.548 4.213 303 HA LYS 36 HA LYS 36 -9.279 2.288 6.504 304 HB2 LYS 36 HB2 LYS 36 -10.047 4.517 5.724 305 HB3 LYS 36 HB3 LYS 36 -10.848 3.774 4.342 306 HG2 LYS 36 HG2 LYS 36 -12.341 2.537 5.954 307 HG3 LYS 36 HG3 LYS 36 -11.599 3.445 7.269 308 HD2 LYS 36 HD2 LYS 36 -13.654 4.557 6.792 309 HD3 LYS 36 HD3 LYS 36 -12.397 5.572 6.094 310 HE2 LYS 36 HE2 LYS 36 -14.024 3.578 4.478 311 HE3 LYS 36 HE3 LYS 36 -14.474 5.268 4.667 312 HZ1 LYS 36 HZ1 LYS 36 -12.020 4.224 3.355 313 HZ2 LYS 36 HZ2 LYS 36 -12.329 5.863 3.640 314 HZ3 LYS 36 HZ3 LYS 36 -13.334 4.979 2.612 315 H ASP 37 H ASP 37 -10.298 1.792 3.112 316 HA ASP 37 HA ASP 37 -12.321 -0.155 3.763 317 HB2 ASP 37 HB2 ASP 37 -11.192 0.595 1.032 318 HB3 ASP 37 HB3 ASP 37 -12.700 -0.272 1.336 319 H VAL 38 H VAL 38 -8.940 -0.347 2.846 320 HA VAL 38 HA VAL 38 -8.739 -2.912 1.745 321 HB VAL 38 HB VAL 38 -6.714 -1.512 3.567 322 HG11 VAL 38 HG11 VAL 38 -6.184 -3.908 3.453 323 HG12 VAL 38 HG12 VAL 38 -4.983 -2.976 2.562 324 HG13 VAL 38 HG13 VAL 38 -6.235 -3.864 1.688 325 HG21 VAL 38 HG21 VAL 38 -6.864 -1.566 0.524 326 HG22 VAL 38 HG22 VAL 38 -5.591 -0.801 1.482 327 HG23 VAL 38 HG23 VAL 38 -7.242 -0.189 1.561 328 H LYS 39 H LYS 39 -8.779 -1.929 5.143 329 HA LYS 39 HA LYS 39 -8.230 -4.400 6.369 330 HB2 LYS 39 HB2 LYS 39 -9.787 -1.990 7.392 331 HB3 LYS 39 HB3 LYS 39 -9.211 -3.313 8.408 332 HG2 LYS 39 HG2 LYS 39 -6.882 -2.787 7.806 333 HG3 LYS 39 HG3 LYS 39 -7.434 -1.486 6.752 334 HD2 LYS 39 HD2 LYS 39 -8.234 -0.198 8.643 335 HD3 LYS 39 HD3 LYS 39 -7.965 -1.549 9.748 336 HE2 LYS 39 HE2 LYS 39 -5.765 -0.104 8.232 337 HE3 LYS 39 HE3 LYS 39 -6.216 0.226 9.906 338 HZ1 LYS 39 HZ1 LYS 39 -4.297 -1.274 9.674 339 HZ2 LYS 39 HZ2 LYS 39 -5.287 -2.418 8.925 340 HZ3 LYS 39 HZ3 LYS 39 -5.576 -1.966 10.530 341 H ASP 40 H ASP 40 -11.380 -2.900 5.567 342 HA ASP 40 HA ASP 40 -13.047 -5.003 6.532 343 HB2 ASP 40 HB2 ASP 40 -13.612 -2.941 4.356 344 HB3 ASP 40 HB3 ASP 40 -14.829 -3.925 5.167 345 H GLU 41 H GLU 41 -11.431 -4.469 3.449 346 HA GLU 41 HA GLU 41 -12.744 -6.565 1.988 347 HB2 GLU 41 HB2 GLU 41 -10.171 -5.036 1.439 348 HB3 GLU 41 HB3 GLU 41 -10.914 -6.156 0.305 349 HG2 GLU 41 HG2 GLU 41 -12.268 -3.647 1.353 350 HG3 GLU 41 HG3 GLU 41 -11.388 -3.744 -0.166 351 H LEU 42 H LEU 42 -9.868 -6.413 4.002 352 HA LEU 42 HA LEU 42 -8.877 -9.042 3.514 353 HB2 LEU 42 HB2 LEU 42 -8.664 -7.267 5.975 354 HB3 LEU 42 HB3 LEU 42 -7.784 -8.774 5.783 355 HG LEU 42 HG LEU 42 -7.457 -6.441 3.853 356 HD11 LEU 42 HD11 LEU 42 -6.789 -5.679 6.078 357 HD12 LEU 42 HD12 LEU 42 -5.393 -5.845 5.018 358 HD13 LEU 42 HD13 LEU 42 -5.715 -7.070 6.248 359 HD21 LEU 42 HD21 LEU 42 -5.390 -7.562 3.178 360 HD22 LEU 42 HD22 LEU 42 -6.764 -8.644 2.977 361 HD23 LEU 42 HD23 LEU 42 -5.679 -8.852 4.350 362 H GLU 43 H GLU 43 -11.380 -7.767 5.679 363 HA GLU 43 HA GLU 43 -11.767 -10.178 7.203 364 HB2 GLU 43 HB2 GLU 43 -13.515 -7.689 6.992 365 HB3 GLU 43 HB3 GLU 43 -13.729 -8.971 8.180 366 HG2 GLU 43 HG2 GLU 43 -11.327 -7.138 7.945 367 HG3 GLU 43 HG3 GLU 43 -12.613 -7.010 9.142 368 H GLU 44 H GLU 44 -13.773 -8.566 4.688 369 HA GLU 44 HA GLU 44 -15.332 -11.059 4.304 370 HB2 GLU 44 HB2 GLU 44 -17.440 -9.718 4.292 371 HB3 GLU 44 HB3 GLU 44 -16.628 -9.711 5.854 372 HG2 GLU 44 HG2 GLU 44 -15.731 -7.458 5.396 373 HG3 GLU 44 HG3 GLU 44 -16.516 -7.457 3.817 374 H GLY 45 H GLY 45 -14.267 -7.967 2.910 375 HA2 GLY 45 HA2 GLY 45 -15.572 -8.377 0.343 376 HA3 GLY 45 HA3 GLY 45 -14.441 -7.104 0.764 377 H ASP 46 H ASP 46 -13.463 -7.442 -1.349 378 HA ASP 46 HA ASP 46 -11.775 -9.858 -1.596 379 HB2 ASP 46 HB2 ASP 46 -13.164 -9.468 -3.559 380 HB3 ASP 46 HB3 ASP 46 -12.604 -7.800 -3.681 381 H ALA 47 H ALA 47 -9.919 -9.517 -0.534 382 HA ALA 47 HA ALA 47 -8.590 -7.012 -0.217 383 HB1 ALA 47 HB1 ALA 47 -7.530 -9.821 0.207 384 HB2 ALA 47 HB2 ALA 47 -8.399 -8.853 1.401 385 HB3 ALA 47 HB3 ALA 47 -6.812 -8.332 0.827 386 H LYS 48 H LYS 48 -8.314 -9.589 -2.628 387 HA LYS 48 HA LYS 48 -5.685 -9.319 -3.514 388 HB2 LYS 48 HB2 LYS 48 -7.103 -11.188 -4.199 389 HB3 LYS 48 HB3 LYS 48 -8.163 -10.107 -5.100 390 HG2 LYS 48 HG2 LYS 48 -6.210 -9.558 -6.607 391 HG3 LYS 48 HG3 LYS 48 -5.269 -10.789 -5.757 392 HD2 LYS 48 HD2 LYS 48 -6.827 -12.534 -6.503 393 HD3 LYS 48 HD3 LYS 48 -7.873 -11.322 -7.250 394 HE2 LYS 48 HE2 LYS 48 -6.010 -10.725 -8.803 395 HE3 LYS 48 HE3 LYS 48 -5.036 -12.011 -8.091 396 HZ1 LYS 48 HZ1 LYS 48 -7.625 -12.397 -9.488 397 HZ2 LYS 48 HZ2 LYS 48 -6.649 -13.616 -8.850 398 HZ3 LYS 48 HZ3 LYS 48 -6.099 -12.694 -10.151 399 H ASN 49 H ASN 49 -8.579 -7.830 -5.019 400 HA ASN 49 HA ASN 49 -7.290 -6.252 -6.955 401 HB2 ASN 49 HB2 ASN 49 -9.708 -6.744 -6.983 402 HB3 ASN 49 HB3 ASN 49 -9.941 -5.786 -5.529 403 HD21 ASN 49 HD21 ASN 49 -11.410 -4.410 -6.483 404 HD22 ASN 49 HD22 ASN 49 -10.981 -3.260 -7.697 405 H MET 50 H MET 50 -8.036 -5.573 -3.567 406 HA MET 50 HA MET 50 -7.521 -2.782 -3.533 407 HB2 MET 50 HB2 MET 50 -7.387 -4.803 -1.262 408 HB3 MET 50 HB3 MET 50 -7.422 -3.050 -1.062 409 HG2 MET 50 HG2 MET 50 -9.608 -4.668 -2.375 410 HG3 MET 50 HG3 MET 50 -9.614 -4.129 -0.698 411 HE1 MET 50 HE1 MET 50 -9.870 -1.683 0.092 412 HE2 MET 50 HE2 MET 50 -9.954 -0.279 -0.974 413 HE3 MET 50 HE3 MET 50 -8.439 -1.168 -0.812 414 H ILE 51 H ILE 51 -5.429 -5.569 -2.908 415 HA ILE 51 HA ILE 51 -3.115 -4.130 -2.032 416 HB ILE 51 HB ILE 51 -3.381 -6.940 -3.203 417 HG12 ILE 51 HG12 ILE 51 -3.235 -6.104 -0.261 418 HG13 ILE 51 HG13 ILE 51 -4.733 -6.466 -1.105 419 HG21 ILE 51 HG21 ILE 51 -1.049 -5.768 -1.626 420 HG22 ILE 51 HG22 ILE 51 -1.037 -6.211 -3.332 421 HG23 ILE 51 HG23 ILE 51 -1.214 -7.460 -2.104 422 HD11 ILE 51 HD11 ILE 51 -3.978 -8.756 -1.466 423 HD12 ILE 51 HD12 ILE 51 -4.019 -8.326 0.244 424 HD13 ILE 51 HD13 ILE 51 -2.477 -8.391 -0.609 425 H GLU 52 H GLU 52 -4.060 -5.572 -5.158 426 HA GLU 52 HA GLU 52 -1.700 -4.798 -6.578 427 HB2 GLU 52 HB2 GLU 52 -4.405 -5.722 -7.644 428 HB3 GLU 52 HB3 GLU 52 -2.938 -5.558 -8.610 429 HG2 GLU 52 HG2 GLU 52 -1.839 -7.246 -7.060 430 HG3 GLU 52 HG3 GLU 52 -3.417 -7.506 -6.326 431 H LYS 53 H LYS 53 -4.860 -3.239 -6.113 432 HA LYS 53 HA LYS 53 -4.333 -1.145 -8.064 433 HB2 LYS 53 HB2 LYS 53 -6.384 -0.107 -7.505 434 HB3 LYS 53 HB3 LYS 53 -6.705 -1.834 -7.441 435 HG2 LYS 53 HG2 LYS 53 -6.819 -1.826 -5.052 436 HG3 LYS 53 HG3 LYS 53 -6.103 -0.218 -4.947 437 HD2 LYS 53 HD2 LYS 53 -8.512 -0.120 -4.512 438 HD3 LYS 53 HD3 LYS 53 -8.095 0.767 -5.976 439 HE2 LYS 53 HE2 LYS 53 -8.834 -1.219 -7.325 440 HE3 LYS 53 HE3 LYS 53 -9.367 -1.988 -5.828 441 HZ1 LYS 53 HZ1 LYS 53 -10.382 0.579 -6.928 442 HZ2 LYS 53 HZ2 LYS 53 -10.893 -0.135 -5.491 443 HZ3 LYS 53 HZ3 LYS 53 -11.191 -0.903 -6.961 444 H PHE 54 H PHE 54 -3.974 -1.510 -4.551 445 HA PHE 54 HA PHE 54 -3.337 1.159 -3.882 446 HB2 PHE 54 HB2 PHE 54 -3.819 -0.607 -2.179 447 HB3 PHE 54 HB3 PHE 54 -2.293 -1.394 -2.563 448 HD1 PHE 54 HD2 PHE 54 -3.831 1.612 -1.014 449 HD2 PHE 54 HD1 PHE 54 -0.182 -0.533 -1.656 450 HE1 PHE 54 HE2 PHE 54 -2.694 3.051 0.618 451 HE2 PHE 54 HE1 PHE 54 0.945 0.916 -0.031 452 HZ PHE 54 HZ PHE 54 -0.301 2.713 1.106 453 H ARG 55 H ARG 55 -1.396 -1.496 -5.121 454 HA ARG 55 HA ARG 55 1.162 -0.304 -5.096 455 HB2 ARG 55 HB2 ARG 55 0.748 -2.724 -5.516 456 HB3 ARG 55 HB3 ARG 55 0.015 -2.350 -7.066 457 HG2 ARG 55 HG2 ARG 55 2.861 -1.478 -6.569 458 HG3 ARG 55 HG3 ARG 55 2.544 -3.182 -6.879 459 HD2 ARG 55 HD2 ARG 55 1.705 -2.733 -9.073 460 HD3 ARG 55 HD3 ARG 55 1.565 -1.007 -8.744 461 HE ARG 55 HE ARG 55 3.808 -0.729 -9.151 462 HH11 ARG 55 HH11 ARG 55 3.165 -4.143 -9.139 463 HH12 ARG 55 HH12 ARG 55 4.685 -4.520 -9.871 464 HH21 ARG 55 HH21 ARG 55 5.700 -1.242 -10.089 465 HH22 ARG 55 HH22 ARG 55 6.110 -2.898 -10.380 466 H ASP 56 H ASP 56 -1.468 -0.192 -7.523 467 HA ASP 56 HA ASP 56 -0.066 1.251 -9.548 468 HB2 ASP 56 HB2 ASP 56 -2.079 -0.137 -9.984 469 HB3 ASP 56 HB3 ASP 56 -3.063 0.976 -9.046 470 H GLU 57 H GLU 57 -2.261 2.246 -6.954 471 HA GLU 57 HA GLU 57 -2.399 5.017 -7.452 472 HB2 GLU 57 HB2 GLU 57 -2.713 3.471 -4.840 473 HB3 GLU 57 HB3 GLU 57 -3.155 5.163 -5.049 474 HG2 GLU 57 HG2 GLU 57 -4.396 2.825 -6.534 475 HG3 GLU 57 HG3 GLU 57 -5.107 3.664 -5.156 476 H MET 58 H MET 58 -0.287 3.138 -5.262 477 HA MET 58 HA MET 58 1.277 5.290 -4.335 478 HB2 MET 58 HB2 MET 58 1.685 2.308 -4.372 479 HB3 MET 58 HB3 MET 58 3.032 3.347 -3.936 480 HG2 MET 58 HG2 MET 58 1.136 4.384 -2.308 481 HG3 MET 58 HG3 MET 58 0.573 2.714 -2.411 482 HE1 MET 58 HE1 MET 58 3.596 5.076 -1.503 483 HE2 MET 58 HE2 MET 58 4.292 4.009 -2.720 484 HE3 MET 58 HE3 MET 58 4.820 3.902 -1.037 485 H GLU 59 H GLU 59 1.662 3.228 -7.189 486 HA GLU 59 HA GLU 59 4.259 4.173 -7.893 487 HB2 GLU 59 HB2 GLU 59 3.206 2.028 -8.716 488 HB3 GLU 59 HB3 GLU 59 2.165 2.992 -9.759 489 HG2 GLU 59 HG2 GLU 59 4.093 3.812 -11.008 490 HG3 GLU 59 HG3 GLU 59 5.203 3.007 -9.900 491 H GLN 60 H GLN 60 0.991 5.285 -8.571 492 HA GLN 60 HA GLN 60 1.579 7.371 -10.409 493 HB2 GLN 60 HB2 GLN 60 -0.684 6.455 -10.093 494 HB3 GLN 60 HB3 GLN 60 -0.730 7.018 -8.434 495 HG2 GLN 60 HG2 GLN 60 -0.430 9.036 -10.666 496 HG3 GLN 60 HG3 GLN 60 -2.002 8.319 -10.374 497 HE21 GLN 60 HE21 GLN 60 -3.055 8.784 -8.356 498 HE22 GLN 60 HE22 GLN 60 -2.603 10.155 -7.413 499 H MET 61 H MET 61 1.123 7.422 -6.855 500 HA MET 61 HA MET 61 1.738 10.199 -6.514 501 HB2 MET 61 HB2 MET 61 1.606 7.944 -4.475 502 HB3 MET 61 HB3 MET 61 1.740 9.650 -4.063 503 HG2 MET 61 HG2 MET 61 -0.440 10.101 -5.063 504 HG3 MET 61 HG3 MET 61 -0.571 8.422 -5.591 505 HE1 MET 61 HE1 MET 61 0.571 6.821 -2.983 506 HE2 MET 61 HE2 MET 61 -0.825 6.376 -3.967 507 HE3 MET 61 HE3 MET 61 -0.984 6.499 -2.216 508 H TYR 62 H TYR 62 3.708 7.336 -6.577 509 HA TYR 62 HA TYR 62 6.132 8.497 -5.534 510 HB2 TYR 62 HB2 TYR 62 5.962 6.102 -5.390 511 HB3 TYR 62 HB3 TYR 62 5.515 5.953 -7.084 512 HD1 TYR 62 HD1 TYR 62 8.405 7.090 -4.944 513 HD2 TYR 62 HD2 TYR 62 7.176 5.311 -8.636 514 HE1 TYR 62 HE1 TYR 62 10.753 6.697 -5.543 515 HE2 TYR 62 HE2 TYR 62 9.529 4.913 -9.218 516 HH TYR 62 HH TYR 62 12.063 5.221 -6.980 517 H LYS 63 H LYS 63 4.777 7.863 -8.747 518 HA LYS 63 HA LYS 63 6.911 8.871 -10.318 519 HB2 LYS 63 HB2 LYS 63 5.084 7.421 -11.192 520 HB3 LYS 63 HB3 LYS 63 3.937 8.739 -10.980 521 HG2 LYS 63 HG2 LYS 63 5.197 10.075 -12.645 522 HG3 LYS 63 HG3 LYS 63 6.305 8.721 -12.880 523 HD2 LYS 63 HD2 LYS 63 4.472 7.324 -13.735 524 HD3 LYS 63 HD3 LYS 63 3.304 8.604 -13.398 525 HE2 LYS 63 HE2 LYS 63 5.568 8.748 -15.415 526 HE3 LYS 63 HE3 LYS 63 3.856 8.531 -15.785 527 HZ1 LYS 63 HZ1 LYS 63 5.134 10.916 -14.573 528 HZ2 LYS 63 HZ2 LYS 63 3.464 10.707 -14.694 529 HZ3 LYS 63 HZ3 LYS 63 4.404 10.802 -16.095 530 H ASP 64 H ASP 64 4.154 10.424 -8.788 531 HA ASP 64 HA ASP 64 4.530 13.015 -10.023 532 HB2 ASP 64 HB2 ASP 64 2.280 12.026 -9.358 533 HB3 ASP 64 HB3 ASP 64 2.730 12.278 -7.675 534 H ALA 65 H ALA 65 5.082 11.586 -6.794 535 HA ALA 65 HA ALA 65 6.897 13.793 -6.049 536 HB1 ALA 65 HB1 ALA 65 4.699 14.338 -5.061 537 HB2 ALA 65 HB2 ALA 65 5.888 13.974 -3.810 538 HB3 ALA 65 HB3 ALA 65 4.670 12.773 -4.245 539 HA PRO 66 HA PRO 66 8.859 9.717 -4.845 540 HB2 PRO 66 HB2 PRO 66 11.127 9.883 -6.309 541 HB3 PRO 66 HB3 PRO 66 9.596 9.381 -7.039 542 HG2 PRO 66 HG2 PRO 66 10.968 12.053 -7.162 543 HG3 PRO 66 HG3 PRO 66 10.113 11.170 -8.443 544 HD2 PRO 66 HD2 PRO 66 9.014 13.245 -6.925 545 HD3 PRO 66 HD3 PRO 66 8.069 12.036 -7.819 546 H ASN 67 H ASN 67 9.260 10.328 -2.692 547 HA ASN 67 HA ASN 67 11.325 12.234 -2.003 548 HB2 ASN 67 HB2 ASN 67 10.974 11.229 0.394 549 HB3 ASN 67 HB3 ASN 67 9.688 12.177 -0.336 550 HD21 ASN 67 HD21 ASN 67 7.760 11.154 -0.902 551 HD22 ASN 67 HD22 ASN 67 7.374 9.551 -0.382 552 H ALA 68 H ALA 68 11.366 8.870 -0.747 553 HA ALA 68 HA ALA 68 13.660 8.007 -2.183 554 HB1 ALA 68 HB1 ALA 68 14.162 8.735 0.730 555 HB2 ALA 68 HB2 ALA 68 14.831 9.576 -0.667 556 HB3 ALA 68 HB3 ALA 68 15.295 7.906 -0.340 557 H VAL 69 H VAL 69 12.193 7.587 1.081 558 HA VAL 69 HA VAL 69 12.271 4.764 1.148 559 HB VAL 69 HB VAL 69 11.929 6.135 3.183 560 HG11 VAL 69 HG11 VAL 69 10.434 7.872 2.307 561 HG12 VAL 69 HG12 VAL 69 9.737 7.127 3.745 562 HG13 VAL 69 HG13 VAL 69 9.125 6.697 2.145 563 HG21 VAL 69 HG21 VAL 69 10.232 4.717 4.310 564 HG22 VAL 69 HG22 VAL 69 11.286 3.754 3.275 565 HG23 VAL 69 HG23 VAL 69 9.652 4.153 2.739 566 H MET 70 H MET 70 10.019 6.976 -0.364 567 HA MET 70 HA MET 70 7.710 5.533 -0.759 568 HB2 MET 70 HB2 MET 70 8.379 7.972 -1.458 569 HB3 MET 70 HB3 MET 70 8.859 7.250 -2.983 570 HG2 MET 70 HG2 MET 70 6.658 8.142 -3.250 571 HG3 MET 70 HG3 MET 70 6.496 6.384 -3.207 572 HE1 MET 70 HE1 MET 70 4.092 8.664 -2.658 573 HE2 MET 70 HE2 MET 70 3.216 7.791 -1.398 574 HE3 MET 70 HE3 MET 70 3.818 6.925 -2.810 575 H GLU 71 H GLU 71 10.745 5.229 -2.531 576 HA GLU 71 HA GLU 71 9.839 3.438 -4.586 577 HB2 GLU 71 HB2 GLU 71 11.845 4.884 -4.809 578 HB3 GLU 71 HB3 GLU 71 12.645 3.997 -3.518 579 HG2 GLU 71 HG2 GLU 71 12.656 1.960 -4.923 580 HG3 GLU 71 HG3 GLU 71 11.839 2.847 -6.214 581 H GLN 72 H GLN 72 11.552 2.933 -1.473 582 HA GLN 72 HA GLN 72 11.778 0.107 -1.608 583 HB2 GLN 72 HB2 GLN 72 13.082 1.478 -0.006 584 HB3 GLN 72 HB3 GLN 72 11.605 1.896 0.858 585 HG2 GLN 72 HG2 GLN 72 11.290 -0.485 1.466 586 HG3 GLN 72 HG3 GLN 72 12.779 -0.900 0.621 587 HE21 GLN 72 HE21 GLN 72 11.426 0.668 3.435 588 HE22 GLN 72 HE22 GLN 72 12.894 0.737 4.346 589 H LEU 73 H LEU 73 9.174 2.212 -0.554 590 HA LEU 73 HA LEU 73 7.422 0.336 0.598 591 HB2 LEU 73 HB2 LEU 73 6.780 2.902 -0.904 592 HB3 LEU 73 HB3 LEU 73 5.635 2.007 0.086 593 HG LEU 73 HG LEU 73 8.187 3.280 1.146 594 HD11 LEU 73 HD11 LEU 73 6.637 5.023 0.416 595 HD12 LEU 73 HD12 LEU 73 6.773 4.999 2.171 596 HD13 LEU 73 HD13 LEU 73 5.349 4.310 1.388 597 HD21 LEU 73 HD21 LEU 73 5.874 2.020 2.655 598 HD22 LEU 73 HD22 LEU 73 7.262 2.838 3.376 599 HD23 LEU 73 HD23 LEU 73 7.497 1.344 2.476 600 H LEU 74 H LEU 74 7.513 1.577 -2.798 601 HA LEU 74 HA LEU 74 5.605 -0.131 -3.924 602 HB2 LEU 74 HB2 LEU 74 7.914 1.407 -5.068 603 HB3 LEU 74 HB3 LEU 74 7.233 0.155 -6.083 604 HG LEU 74 HG LEU 74 6.239 2.255 -6.711 605 HD11 LEU 74 HD11 LEU 74 4.752 0.311 -6.800 606 HD12 LEU 74 HD12 LEU 74 3.849 1.781 -6.445 607 HD13 LEU 74 HD13 LEU 74 4.201 0.633 -5.152 608 HD21 LEU 74 HD21 LEU 74 6.625 3.540 -4.677 609 HD22 LEU 74 HD22 LEU 74 5.389 2.612 -3.825 610 HD23 LEU 74 HD23 LEU 74 4.937 3.660 -5.173 611 H GLU 75 H GLU 75 9.058 -0.697 -3.392 612 HA GLU 75 HA GLU 75 9.372 -3.178 -4.693 613 HB2 GLU 75 HB2 GLU 75 11.241 -1.708 -3.869 614 HB3 GLU 75 HB3 GLU 75 10.840 -2.152 -2.219 615 HG2 GLU 75 HG2 GLU 75 12.756 -3.426 -2.882 616 HG3 GLU 75 HG3 GLU 75 11.388 -4.532 -2.777 617 H GLU 76 H GLU 76 8.405 -2.415 -1.340 618 HA GLU 76 HA GLU 76 8.246 -5.096 -0.390 619 HB2 GLU 76 HB2 GLU 76 8.476 -3.114 1.140 620 HB3 GLU 76 HB3 GLU 76 6.844 -2.625 0.722 621 HG2 GLU 76 HG2 GLU 76 6.852 -3.725 2.888 622 HG3 GLU 76 HG3 GLU 76 5.948 -4.686 1.725 623 H ILE 77 H ILE 77 5.754 -2.841 -1.630 624 HA ILE 77 HA ILE 77 3.461 -4.428 -1.243 625 HB ILE 77 HB ILE 77 3.868 -2.453 -3.549 626 HG12 ILE 77 HG12 ILE 77 2.654 -1.855 -0.807 627 HG13 ILE 77 HG13 ILE 77 4.305 -1.451 -1.251 628 HG21 ILE 77 HG21 ILE 77 1.297 -3.459 -2.240 629 HG22 ILE 77 HG22 ILE 77 1.868 -3.856 -3.860 630 HG23 ILE 77 HG23 ILE 77 1.385 -2.206 -3.484 631 HD11 ILE 77 HD11 ILE 77 1.827 -0.382 -2.590 632 HD12 ILE 77 HD12 ILE 77 3.494 0.052 -2.982 633 HD13 ILE 77 HD13 ILE 77 2.820 0.460 -1.405 634 H GLU 78 H GLU 78 5.750 -4.289 -3.968 635 HA GLU 78 HA GLU 78 4.573 -5.989 -5.826 636 HB2 GLU 78 HB2 GLU 78 6.640 -4.713 -6.258 637 HB3 GLU 78 HB3 GLU 78 7.526 -5.723 -5.120 638 HG2 GLU 78 HG2 GLU 78 6.968 -7.702 -6.642 639 HG3 GLU 78 HG3 GLU 78 6.386 -6.522 -7.814 640 H LYS 79 H LYS 79 6.570 -6.837 -3.009 641 HA LYS 79 HA LYS 79 6.751 -9.636 -3.453 642 HB2 LYS 79 HB2 LYS 79 6.827 -8.330 -0.700 643 HB3 LYS 79 HB3 LYS 79 7.598 -9.831 -1.205 644 HG2 LYS 79 HG2 LYS 79 8.384 -7.008 -1.949 645 HG3 LYS 79 HG3 LYS 79 9.298 -8.156 -0.967 646 HD2 LYS 79 HD2 LYS 79 9.672 -9.573 -2.954 647 HD3 LYS 79 HD3 LYS 79 8.688 -8.481 -3.936 648 HE2 LYS 79 HE2 LYS 79 10.335 -6.644 -3.425 649 HE3 LYS 79 HE3 LYS 79 11.354 -7.848 -2.628 650 HZ1 LYS 79 HZ1 LYS 79 11.577 -9.009 -4.700 651 HZ2 LYS 79 HZ2 LYS 79 11.990 -7.389 -4.936 652 HZ3 LYS 79 HZ3 LYS 79 10.497 -7.957 -5.467 653 H LEU 80 H LEU 80 4.379 -7.644 -1.799 654 HA LEU 80 HA LEU 80 2.770 -9.804 -0.794 655 HB2 LEU 80 HB2 LEU 80 2.470 -6.811 -0.926 656 HB3 LEU 80 HB3 LEU 80 1.058 -7.783 -0.563 657 HG LEU 80 HG LEU 80 2.205 -6.867 1.473 658 HD11 LEU 80 HD11 LEU 80 2.122 -8.916 2.810 659 HD12 LEU 80 HD12 LEU 80 2.132 -9.893 1.340 660 HD13 LEU 80 HD13 LEU 80 0.770 -8.823 1.682 661 HD21 LEU 80 HD21 LEU 80 4.474 -8.779 0.806 662 HD22 LEU 80 HD22 LEU 80 4.316 -7.801 2.269 663 HD23 LEU 80 HD23 LEU 80 4.550 -7.017 0.710 664 H LEU 81 H LEU 81 2.756 -7.948 -3.835 665 HA LEU 81 HA LEU 81 0.348 -9.054 -4.900 666 HB2 LEU 81 HB2 LEU 81 2.766 -7.748 -6.127 667 HB3 LEU 81 HB3 LEU 81 1.723 -8.670 -7.192 668 HG LEU 81 HG LEU 81 -0.211 -7.226 -6.515 669 HD11 LEU 81 HD11 LEU 81 0.145 -5.120 -5.344 670 HD12 LEU 81 HD12 LEU 81 1.842 -5.528 -5.082 671 HD13 LEU 81 HD13 LEU 81 0.574 -6.488 -4.320 672 HD21 LEU 81 HD21 LEU 81 2.133 -5.693 -7.696 673 HD22 LEU 81 HD22 LEU 81 0.427 -5.257 -7.838 674 HD23 LEU 81 HD23 LEU 81 1.021 -6.738 -8.585 675 H LYS 82 H LYS 82 3.608 -10.323 -4.616 676 HA LYS 82 HA LYS 82 3.278 -12.680 -6.234 677 HB2 LYS 82 HB2 LYS 82 5.224 -12.269 -3.918 678 HB3 LYS 82 HB3 LYS 82 5.383 -13.442 -5.214 679 HG2 LYS 82 HG2 LYS 82 5.360 -10.506 -5.887 680 HG3 LYS 82 HG3 LYS 82 6.807 -11.207 -5.179 681 HD2 LYS 82 HD2 LYS 82 7.131 -11.212 -7.538 682 HD3 LYS 82 HD3 LYS 82 6.826 -12.881 -7.070 683 HE2 LYS 82 HE2 LYS 82 4.485 -12.653 -7.857 684 HE3 LYS 82 HE3 LYS 82 4.827 -10.993 -8.363 685 HZ1 LYS 82 HZ1 LYS 82 4.989 -12.593 -10.191 686 HZ2 LYS 82 HZ2 LYS 82 6.204 -13.420 -9.372 687 HZ3 LYS 82 HZ3 LYS 82 6.474 -11.840 -9.906 688 H LYS 83 H LYS 83 3.306 -12.145 -2.710 689 HA LYS 83 HA LYS 83 2.729 -14.842 -1.962 690 HB2 LYS 83 HB2 LYS 83 2.634 -12.272 -0.338 691 HB3 LYS 83 HB3 LYS 83 2.611 -13.895 0.345 692 HG2 LYS 83 HG2 LYS 83 4.885 -14.302 -0.337 693 HG3 LYS 83 HG3 LYS 83 4.911 -12.840 -1.327 694 HD2 LYS 83 HD2 LYS 83 6.148 -12.446 0.755 695 HD3 LYS 83 HD3 LYS 83 4.700 -11.442 0.717 696 HE2 LYS 83 HE2 LYS 83 4.964 -12.360 2.948 697 HE3 LYS 83 HE3 LYS 83 3.557 -13.112 2.196 698 HZ1 LYS 83 HZ1 LYS 83 4.940 -15.039 1.672 699 HZ2 LYS 83 HZ2 LYS 83 4.889 -14.739 3.335 700 HZ3 LYS 83 HZ3 LYS 83 6.259 -14.312 2.442 701 H ALA 84 H ALA 84 0.780 -11.849 -1.749 702 HA ALA 84 HA ALA 84 -1.595 -13.287 -0.828 703 HB1 ALA 84 HB1 ALA 84 -1.138 -10.306 -1.190 704 HB2 ALA 84 HB2 ALA 84 -0.953 -11.202 0.317 705 HB3 ALA 84 HB3 ALA 84 -2.547 -11.049 -0.425 706 H GLY 85 H GLY 85 -3.738 -12.537 -1.740 707 HA2 GLY 85 HA2 GLY 85 -5.240 -12.332 -3.483 708 HA3 GLY 85 HA3 GLY 85 -3.919 -11.983 -4.587 709 H SER 86 H SER 86 -2.390 -13.972 -4.837 710 HA SER 86 HA SER 86 -3.651 -16.614 -4.651 711 HB2 SER 86 HB2 SER 86 -2.558 -15.503 -7.281 712 HB3 SER 86 HB3 SER 86 -3.093 -17.167 -7.021 713 HG SER 86 HG SER 86 -5.123 -15.785 -6.273 714 H LEU 87 H LEU 87 -2.039 -18.347 -5.085 715 HA LEU 87 HA LEU 87 0.659 -17.657 -4.128 716 HB2 LEU 87 HB2 LEU 87 -0.615 -20.380 -4.609 717 HB3 LEU 87 HB3 LEU 87 0.926 -20.090 -3.816 718 HG LEU 87 HG LEU 87 -1.805 -19.276 -2.750 719 HD11 LEU 87 HD11 LEU 87 0.096 -21.416 -1.757 720 HD12 LEU 87 HD12 LEU 87 -1.432 -21.686 -2.597 721 HD13 LEU 87 HD13 LEU 87 -1.430 -20.945 -1.001 722 HD21 LEU 87 HD21 LEU 87 -0.131 -17.614 -2.078 723 HD22 LEU 87 HD22 LEU 87 0.920 -18.890 -1.457 724 HD23 LEU 87 HD23 LEU 87 -0.639 -18.574 -0.691 725 H VAL 88 H VAL 88 -0.228 -17.044 -6.928 726 HA VAL 88 HA VAL 88 1.196 -18.939 -8.649 727 HB VAL 88 HB VAL 88 0.192 -17.743 -10.545 728 HG11 VAL 88 HG11 VAL 88 -2.190 -18.246 -10.117 729 HG12 VAL 88 HG12 VAL 88 -1.871 -18.312 -8.383 730 HG13 VAL 88 HG13 VAL 88 -1.140 -19.504 -9.458 731 HG21 VAL 88 HG21 VAL 88 0.256 -15.419 -9.708 732 HG22 VAL 88 HG22 VAL 88 -0.989 -15.791 -8.514 733 HG23 VAL 88 HG23 VAL 88 -1.379 -15.831 -10.234 734 HA PRO 89 HA PRO 89 4.850 -16.317 -9.118 735 HB2 PRO 89 HB2 PRO 89 5.801 -17.148 -11.544 736 HB3 PRO 89 HB3 PRO 89 5.868 -18.166 -10.098 737 HG2 PRO 89 HG2 PRO 89 3.834 -18.195 -12.331 738 HG3 PRO 89 HG3 PRO 89 4.700 -19.561 -11.593 739 HD2 PRO 89 HD2 PRO 89 2.163 -18.925 -10.872 740 HD3 PRO 89 HD3 PRO 89 3.332 -19.572 -9.696 741 H ARG 90 H ARG 90 2.149 -16.046 -11.266 742 HA ARG 90 HA ARG 90 1.286 -14.457 -12.610 743 HB2 ARG 90 HB2 ARG 90 1.655 -12.931 -10.682 744 HB3 ARG 90 HB3 ARG 90 3.275 -12.573 -11.263 745 HG2 ARG 90 HG2 ARG 90 1.911 -10.718 -11.881 746 HG3 ARG 90 HG3 ARG 90 2.222 -11.618 -13.365 747 HD2 ARG 90 HD2 ARG 90 -0.074 -11.045 -13.457 748 HD3 ARG 90 HD3 ARG 90 -0.063 -12.744 -12.978 749 HE ARG 90 HE ARG 90 -0.417 -10.508 -11.060 750 HH11 ARG 90 HH11 ARG 90 -1.345 -13.669 -12.124 751 HH12 ARG 90 HH12 ARG 90 -2.562 -13.816 -10.905 752 HH21 ARG 90 HH21 ARG 90 -1.996 -10.718 -9.545 753 HH22 ARG 90 HH22 ARG 90 -2.908 -12.188 -9.457 754 H GLY 91 H GLY 91 1.685 -14.960 -14.714 755 HA2 GLY 91 HA2 GLY 91 4.353 -14.850 -15.899 756 HA3 GLY 91 HA3 GLY 91 2.874 -15.396 -16.668 757 H SER 92 H SER 92 3.840 -12.266 -15.226 758 HA SER 92 HA SER 92 2.795 -10.806 -17.559 759 HB2 SER 92 HB2 SER 92 2.093 -10.017 -15.319 760 HB3 SER 92 HB3 SER 92 3.777 -9.753 -14.867 761 HG SER 92 HG SER 92 2.847 -7.803 -15.537 762 H TYR 93 H TYR 93 4.064 -9.083 -18.553 763 HA TYR 93 HA TYR 93 6.948 -9.762 -18.754 764 HB2 TYR 93 HB2 TYR 93 5.124 -8.427 -20.801 765 HB3 TYR 93 HB3 TYR 93 6.823 -8.832 -21.052 766 HD1 TYR 93 HD1 TYR 93 7.520 -11.263 -21.145 767 HD2 TYR 93 HD2 TYR 93 3.396 -10.133 -21.026 768 HE1 TYR 93 HE1 TYR 93 6.877 -13.516 -21.875 769 HE2 TYR 93 HE2 TYR 93 2.762 -12.392 -21.765 770 HH TYR 93 HH TYR 93 3.863 -14.271 -23.062 771 H LEU 94 H LEU 94 8.412 -7.942 -19.336 772 HA LEU 94 HA LEU 94 9.552 -6.123 -18.646 773 HB2 LEU 94 HB2 LEU 94 6.802 -4.865 -18.982 774 HB3 LEU 94 HB3 LEU 94 8.187 -3.911 -18.483 775 HG LEU 94 HG LEU 94 9.348 -4.529 -20.627 776 HD11 LEU 94 HD11 LEU 94 8.080 -5.474 -22.507 777 HD12 LEU 94 HD12 LEU 94 6.690 -5.742 -21.452 778 HD13 LEU 94 HD13 LEU 94 8.194 -6.619 -21.172 779 HD21 LEU 94 HD21 LEU 94 8.190 -2.376 -20.416 780 HD22 LEU 94 HD22 LEU 94 6.680 -3.106 -20.966 781 HD23 LEU 94 HD23 LEU 94 8.060 -2.991 -22.062 782 H GLU 95 H GLU 95 9.102 -4.023 -16.851 783 HA GLU 95 HA GLU 95 8.947 -3.382 -14.679 784 HB2 GLU 95 HB2 GLU 95 6.554 -4.107 -14.970 785 HB3 GLU 95 HB3 GLU 95 6.985 -5.704 -14.377 786 HG2 GLU 95 HG2 GLU 95 7.583 -4.692 -12.184 787 HG3 GLU 95 HG3 GLU 95 7.081 -3.118 -12.795 788 H HIS 96 H HIS 96 9.455 -4.073 -12.342 789 HA HIS 96 HA HIS 96 10.714 -5.053 -10.751 790 HB2 HIS 96 HB2 HIS 96 9.221 -6.976 -11.002 791 HB3 HIS 96 HB3 HIS 96 10.149 -7.579 -12.369 792 HD1 HIS 96 HD1 HIS 96 10.756 -6.843 -8.671 793 HD2 HIS 96 HD2 HIS 96 11.929 -9.513 -11.633 794 HE1 HIS 96 HE1 HIS 96 12.240 -8.507 -7.534 795 HE2 HIS 96 HE2 HIS 96 12.881 -10.149 -9.325 796 H HIS 97 H HIS 97 12.493 -3.781 -11.374 797 HA HIS 97 HA HIS 97 14.613 -3.279 -11.903 798 HB2 HIS 97 HB2 HIS 97 15.129 -5.190 -10.418 799 HB3 HIS 97 HB3 HIS 97 15.066 -6.289 -11.787 800 HD1 HIS 97 HD1 HIS 97 17.127 -3.410 -10.453 801 HD2 HIS 97 HD2 HIS 97 17.454 -6.568 -13.129 802 HE1 HIS 97 HE1 HIS 97 19.525 -3.445 -11.159 803 HE2 HIS 97 HE2 HIS 97 19.733 -5.464 -12.630 804 H HIS 98 H HIS 98 13.983 -2.436 -13.956 805 HA HIS 98 HA HIS 98 14.157 -3.906 -16.393 806 HB2 HIS 98 HB2 HIS 98 12.948 -1.797 -16.372 807 HB3 HIS 98 HB3 HIS 98 14.373 -0.919 -15.828 808 HD1 HIS 98 HD1 HIS 98 15.709 0.172 -17.631 809 HD2 HIS 98 HD2 HIS 98 13.343 -2.893 -19.149 810 HE1 HIS 98 HE1 HIS 98 16.046 0.226 -20.108 811 HE2 HIS 98 HE2 HIS 98 14.730 -1.719 -20.989 812 H HIS 99 H HIS 99 15.931 -4.689 -17.354 813 HA HIS 99 HA HIS 99 18.597 -4.175 -16.408 814 HB2 HIS 99 HB2 HIS 99 17.732 -5.662 -18.929 815 HB3 HIS 99 HB3 HIS 99 19.312 -5.754 -18.153 816 HD1 HIS 99 HD1 HIS 99 16.547 -7.816 -18.520 817 HD2 HIS 99 HD2 HIS 99 18.652 -6.573 -15.157 818 HE1 HIS 99 HE1 HIS 99 16.039 -9.504 -16.740 819 HE2 HIS 99 HE2 HIS 99 17.177 -8.637 -14.679 820 H HIS 100 H HIS 100 20.376 -3.262 -17.652 821 HA HIS 100 HA HIS 100 19.648 -0.962 -19.286 822 HB2 HIS 100 HB2 HIS 100 22.322 -2.002 -18.285 823 HB3 HIS 100 HB3 HIS 100 22.166 -0.554 -19.268 824 HD1 HIS 100 HD1 HIS 100 21.971 -1.735 -15.790 825 HD2 HIS 100 HD2 HIS 100 20.727 1.606 -17.929 826 HE1 HIS 100 HE1 HIS 100 21.465 0.013 -14.072 827 HE2 HIS 100 HE2 HIS 100 20.828 2.055 -15.385 828 H HIS 101 H HIS 101 19.253 -3.735 -20.382 829 HA HIS 101 HA HIS 101 20.083 -3.121 -23.105 830 HB2 HIS 101 HB2 HIS 101 20.801 -5.705 -21.670 831 HB3 HIS 101 HB3 HIS 101 20.588 -5.681 -23.416 832 HD1 HIS 101 HD1 HIS 101 23.233 -5.779 -21.227 833 HD2 HIS 101 HD2 HIS 101 22.337 -3.221 -24.375 834 HE1 HIS 101 HE1 HIS 101 25.419 -4.790 -21.940 835 HE2 HIS 101 HE2 HIS 101 24.873 -3.372 -23.929 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -5.745 -19.741 7.089 2 H2 MET 1 H2 MET 1 -4.807 -20.994 7.720 3 H3 MET 1 H3 MET 1 -4.293 -20.171 6.337 4 HA MET 1 HA MET 1 -4.013 -18.141 7.566 5 HB2 MET 1 HB2 MET 1 -5.847 -18.721 9.242 6 HB3 MET 1 HB3 MET 1 -4.698 -19.767 10.057 7 HG2 MET 1 HG2 MET 1 -4.324 -17.943 11.358 8 HG3 MET 1 HG3 MET 1 -3.311 -17.390 10.027 9 HE1 MET 1 HE1 MET 1 -4.191 -15.540 8.178 10 HE2 MET 1 HE2 MET 1 -5.816 -14.857 8.219 11 HE3 MET 1 HE3 MET 1 -5.587 -16.553 7.798 12 H GLN 2 H GLN 2 -3.104 -21.461 8.166 13 HA GLN 2 HA GLN 2 -0.823 -21.131 9.792 14 HB2 GLN 2 HB2 GLN 2 -0.346 -23.512 9.205 15 HB3 GLN 2 HB3 GLN 2 -2.016 -23.234 9.685 16 HG2 GLN 2 HG2 GLN 2 -2.654 -23.175 7.261 17 HG3 GLN 2 HG3 GLN 2 -1.000 -23.623 6.855 18 HE21 GLN 2 HE21 GLN 2 -3.545 -25.030 6.368 19 HE22 GLN 2 HE22 GLN 2 -3.367 -26.590 7.088 20 H GLU 3 H GLU 3 -1.092 -20.660 6.355 21 HA GLU 3 HA GLU 3 1.734 -21.142 5.785 22 HB2 GLU 3 HB2 GLU 3 1.200 -20.583 3.448 23 HB3 GLU 3 HB3 GLU 3 0.128 -21.818 4.070 24 HG2 GLU 3 HG2 GLU 3 -0.683 -18.903 3.904 25 HG3 GLU 3 HG3 GLU 3 -0.894 -20.020 2.563 26 H GLU 4 H GLU 4 1.230 -19.076 7.709 27 HA GLU 4 HA GLU 4 1.601 -16.956 8.334 28 HB2 GLU 4 HB2 GLU 4 3.581 -17.204 6.049 29 HB3 GLU 4 HB3 GLU 4 3.460 -15.714 6.974 30 HG2 GLU 4 HG2 GLU 4 5.285 -17.055 7.823 31 HG3 GLU 4 HG3 GLU 4 4.022 -16.933 9.038 32 H ARG 5 H ARG 5 -0.685 -17.338 6.783 33 HA ARG 5 HA ARG 5 -1.057 -15.258 4.850 34 HB2 ARG 5 HB2 ARG 5 -2.415 -17.330 4.882 35 HB3 ARG 5 HB3 ARG 5 -3.121 -16.852 6.421 36 HG2 ARG 5 HG2 ARG 5 -4.164 -14.885 5.324 37 HG3 ARG 5 HG3 ARG 5 -3.454 -15.376 3.784 38 HD2 ARG 5 HD2 ARG 5 -4.746 -17.479 3.866 39 HD3 ARG 5 HD3 ARG 5 -5.457 -16.977 5.404 40 HE ARG 5 HE ARG 5 -5.957 -14.983 3.482 41 HH11 ARG 5 HH11 ARG 5 -6.926 -18.244 4.150 42 HH12 ARG 5 HH12 ARG 5 -8.470 -18.043 3.406 43 HH21 ARG 5 HH21 ARG 5 -7.947 -14.766 2.540 44 HH22 ARG 5 HH22 ARG 5 -9.037 -16.107 2.494 45 H LYS 6 H LYS 6 -1.730 -15.509 8.362 46 HA LYS 6 HA LYS 6 -2.942 -12.912 8.585 47 HB2 LYS 6 HB2 LYS 6 -3.317 -14.654 10.308 48 HB3 LYS 6 HB3 LYS 6 -1.617 -14.599 10.754 49 HG2 LYS 6 HG2 LYS 6 -3.027 -13.368 12.367 50 HG3 LYS 6 HG3 LYS 6 -1.865 -12.303 11.577 51 HD2 LYS 6 HD2 LYS 6 -4.014 -11.156 11.732 52 HD3 LYS 6 HD3 LYS 6 -3.672 -11.502 10.038 53 HE2 LYS 6 HE2 LYS 6 -6.027 -11.945 10.536 54 HE3 LYS 6 HE3 LYS 6 -5.207 -13.458 10.151 55 HZ1 LYS 6 HZ1 LYS 6 -5.826 -12.471 12.880 56 HZ2 LYS 6 HZ2 LYS 6 -5.047 -13.924 12.509 57 HZ3 LYS 6 HZ3 LYS 6 -6.654 -13.692 12.054 58 H LYS 7 H LYS 7 0.383 -14.112 8.808 59 HA LYS 7 HA LYS 7 1.591 -11.609 9.491 60 HB2 LYS 7 HB2 LYS 7 2.793 -14.097 8.232 61 HB3 LYS 7 HB3 LYS 7 3.729 -12.702 8.766 62 HG2 LYS 7 HG2 LYS 7 2.742 -13.054 11.087 63 HG3 LYS 7 HG3 LYS 7 2.088 -14.582 10.490 64 HD2 LYS 7 HD2 LYS 7 4.351 -15.400 10.021 65 HD3 LYS 7 HD3 LYS 7 5.039 -13.848 10.502 66 HE2 LYS 7 HE2 LYS 7 4.173 -14.200 12.800 67 HE3 LYS 7 HE3 LYS 7 3.547 -15.775 12.309 68 HZ1 LYS 7 HZ1 LYS 7 6.408 -14.966 12.304 69 HZ2 LYS 7 HZ2 LYS 7 5.819 -16.472 11.818 70 HZ3 LYS 7 HZ3 LYS 7 5.669 -15.988 13.430 71 H LEU 8 H LEU 8 0.669 -13.084 6.434 72 HA LEU 8 HA LEU 8 1.805 -11.232 4.606 73 HB2 LEU 8 HB2 LEU 8 0.760 -13.466 4.076 74 HB3 LEU 8 HB3 LEU 8 -0.819 -12.791 4.392 75 HG LEU 8 HG LEU 8 0.943 -11.732 2.142 76 HD11 LEU 8 HD11 LEU 8 0.670 -14.143 1.778 77 HD12 LEU 8 HD12 LEU 8 -0.216 -13.210 0.577 78 HD13 LEU 8 HD13 LEU 8 -1.083 -13.977 1.910 79 HD21 LEU 8 HD21 LEU 8 -1.186 -10.993 1.139 80 HD22 LEU 8 HD22 LEU 8 -0.956 -10.283 2.735 81 HD23 LEU 8 HD23 LEU 8 -2.072 -11.634 2.528 82 H LEU 9 H LEU 9 -1.359 -11.280 6.289 83 HA LEU 9 HA LEU 9 -2.322 -8.748 5.425 84 HB2 LEU 9 HB2 LEU 9 -2.994 -10.228 7.998 85 HB3 LEU 9 HB3 LEU 9 -3.939 -8.932 7.283 86 HG LEU 9 HG LEU 9 -3.530 -11.700 6.092 87 HD11 LEU 9 HD11 LEU 9 -5.912 -12.058 6.543 88 HD12 LEU 9 HD12 LEU 9 -6.015 -10.478 7.320 89 HD13 LEU 9 HD13 LEU 9 -5.017 -11.750 8.031 90 HD21 LEU 9 HD21 LEU 9 -3.728 -10.050 4.293 91 HD22 LEU 9 HD22 LEU 9 -5.209 -9.415 5.014 92 HD23 LEU 9 HD23 LEU 9 -5.171 -11.059 4.376 93 H GLU 10 H GLU 10 -0.367 -9.730 8.198 94 HA GLU 10 HA GLU 10 -0.436 -7.333 9.717 95 HB2 GLU 10 HB2 GLU 10 0.201 -9.558 10.652 96 HB3 GLU 10 HB3 GLU 10 1.659 -9.554 9.672 97 HG2 GLU 10 HG2 GLU 10 2.296 -8.985 11.905 98 HG3 GLU 10 HG3 GLU 10 2.434 -7.523 10.936 99 H LYS 11 H LYS 11 1.890 -8.631 7.374 100 HA LYS 11 HA LYS 11 3.747 -6.504 7.407 101 HB2 LYS 11 HB2 LYS 11 4.283 -8.737 6.479 102 HB3 LYS 11 HB3 LYS 11 3.120 -8.494 5.185 103 HG2 LYS 11 HG2 LYS 11 5.445 -8.172 4.416 104 HG3 LYS 11 HG3 LYS 11 4.479 -6.704 4.230 105 HD2 LYS 11 HD2 LYS 11 5.502 -5.727 6.228 106 HD3 LYS 11 HD3 LYS 11 6.382 -7.225 6.550 107 HE2 LYS 11 HE2 LYS 11 6.764 -5.481 4.092 108 HE3 LYS 11 HE3 LYS 11 7.804 -5.469 5.513 109 HZ1 LYS 11 HZ1 LYS 11 7.342 -7.845 3.797 110 HZ2 LYS 11 HZ2 LYS 11 8.422 -7.729 5.091 111 HZ3 LYS 11 HZ3 LYS 11 8.682 -6.821 3.691 112 H LEU 12 H LEU 12 0.936 -7.179 5.312 113 HA LEU 12 HA LEU 12 1.159 -4.997 3.562 114 HB2 LEU 12 HB2 LEU 12 -0.303 -7.074 3.346 115 HB3 LEU 12 HB3 LEU 12 -1.428 -6.332 4.461 116 HG LEU 12 HG LEU 12 -1.991 -6.222 1.948 117 HD11 LEU 12 HD11 LEU 12 -2.977 -3.993 2.030 118 HD12 LEU 12 HD12 LEU 12 -1.989 -3.586 3.435 119 HD13 LEU 12 HD13 LEU 12 -3.214 -4.851 3.552 120 HD21 LEU 12 HD21 LEU 12 0.260 -5.641 1.142 121 HD22 LEU 12 HD22 LEU 12 0.137 -4.061 1.923 122 HD23 LEU 12 HD23 LEU 12 -0.952 -4.483 0.600 123 H GLU 13 H GLU 13 -0.590 -5.277 6.648 124 HA GLU 13 HA GLU 13 -1.611 -2.669 6.855 125 HB2 GLU 13 HB2 GLU 13 -0.867 -4.753 8.929 126 HB3 GLU 13 HB3 GLU 13 -1.494 -3.183 9.416 127 HG2 GLU 13 HG2 GLU 13 -2.962 -5.055 7.542 128 HG3 GLU 13 HG3 GLU 13 -3.190 -5.050 9.287 129 H LYS 14 H LYS 14 1.560 -3.985 7.828 130 HA LYS 14 HA LYS 14 2.555 -1.655 9.112 131 HB2 LYS 14 HB2 LYS 14 3.549 -3.941 9.369 132 HB3 LYS 14 HB3 LYS 14 4.159 -3.847 7.720 133 HG2 LYS 14 HG2 LYS 14 5.571 -1.911 8.358 134 HG3 LYS 14 HG3 LYS 14 4.957 -2.011 10.009 135 HD2 LYS 14 HD2 LYS 14 5.935 -4.318 10.186 136 HD3 LYS 14 HD3 LYS 14 6.625 -4.118 8.573 137 HE2 LYS 14 HE2 LYS 14 7.268 -2.420 11.008 138 HE3 LYS 14 HE3 LYS 14 8.299 -3.677 10.320 139 HZ1 LYS 14 HZ1 LYS 14 8.568 -2.385 8.346 140 HZ2 LYS 14 HZ2 LYS 14 8.932 -1.403 9.666 141 HZ3 LYS 14 HZ3 LYS 14 7.455 -1.229 8.865 142 H ILE 15 H ILE 15 2.745 -2.766 5.729 143 HA ILE 15 HA ILE 15 4.562 -0.838 4.733 144 HB ILE 15 HB ILE 15 2.335 -2.262 3.193 145 HG12 ILE 15 HG12 ILE 15 5.276 -3.092 3.345 146 HG13 ILE 15 HG13 ILE 15 4.038 -3.778 4.386 147 HG21 ILE 15 HG21 ILE 15 4.845 -0.861 2.181 148 HG22 ILE 15 HG22 ILE 15 3.177 -0.341 1.934 149 HG23 ILE 15 HG23 ILE 15 3.755 -1.825 1.183 150 HD11 ILE 15 HD11 ILE 15 4.085 -3.944 1.374 151 HD12 ILE 15 HD12 ILE 15 2.863 -4.656 2.436 152 HD13 ILE 15 HD13 ILE 15 4.530 -5.223 2.503 153 H LEU 16 H LEU 16 0.970 -0.949 4.487 154 HA LEU 16 HA LEU 16 0.620 1.603 3.322 155 HB2 LEU 16 HB2 LEU 16 -1.238 -0.340 4.695 156 HB3 LEU 16 HB3 LEU 16 -1.826 1.263 4.290 157 HG LEU 16 HG LEU 16 -1.426 0.866 1.898 158 HD11 LEU 16 HD11 LEU 16 -0.448 -1.905 2.644 159 HD12 LEU 16 HD12 LEU 16 0.532 -0.595 1.984 160 HD13 LEU 16 HD13 LEU 16 -0.743 -1.316 1.005 161 HD21 LEU 16 HD21 LEU 16 -3.147 -0.846 1.490 162 HD22 LEU 16 HD22 LEU 16 -3.609 0.216 2.815 163 HD23 LEU 16 HD23 LEU 16 -3.002 -1.405 3.160 164 H ASP 17 H ASP 17 0.776 0.603 6.691 165 HA ASP 17 HA ASP 17 0.108 3.001 8.006 166 HB2 ASP 17 HB2 ASP 17 0.375 0.901 9.207 167 HB3 ASP 17 HB3 ASP 17 2.052 0.763 8.707 168 H GLU 18 H GLU 18 3.232 1.867 6.709 169 HA GLU 18 HA GLU 18 4.683 4.265 7.439 170 HB2 GLU 18 HB2 GLU 18 5.487 1.900 5.697 171 HB3 GLU 18 HB3 GLU 18 6.580 3.178 6.223 172 HG2 GLU 18 HG2 GLU 18 6.259 2.522 8.569 173 HG3 GLU 18 HG3 GLU 18 5.109 1.280 8.084 174 H VAL 19 H VAL 19 2.877 3.242 4.593 175 HA VAL 19 HA VAL 19 4.101 5.037 2.705 176 HB VAL 19 HB VAL 19 1.371 3.648 2.558 177 HG11 VAL 19 HG11 VAL 19 1.391 4.153 0.126 178 HG12 VAL 19 HG12 VAL 19 2.866 5.104 0.335 179 HG13 VAL 19 HG13 VAL 19 1.365 5.625 1.097 180 HG21 VAL 19 HG21 VAL 19 2.459 2.081 0.987 181 HG22 VAL 19 HG22 VAL 19 3.277 2.069 2.545 182 HG23 VAL 19 HG23 VAL 19 4.001 2.925 1.188 183 H THR 20 H THR 20 1.248 5.266 4.854 184 HA THR 20 HA THR 20 0.250 7.779 4.013 185 HB THR 20 HB THR 20 -0.782 7.991 6.294 186 HG1 THR 20 HG1 THR 20 0.293 5.460 6.961 187 HG21 THR 20 HG21 THR 20 -1.108 5.228 5.072 188 HG22 THR 20 HG22 THR 20 -1.995 6.682 4.606 189 HG23 THR 20 HG23 THR 20 -2.222 5.987 6.212 190 H ASP 21 H ASP 21 2.421 7.080 6.799 191 HA ASP 21 HA ASP 21 3.148 9.817 7.250 192 HB2 ASP 21 HB2 ASP 21 4.387 7.209 8.213 193 HB3 ASP 21 HB3 ASP 21 4.910 8.799 8.768 194 H GLY 22 H GLY 22 4.350 7.427 5.059 195 HA2 GLY 22 HA2 GLY 22 6.887 8.677 4.429 196 HA3 GLY 22 HA3 GLY 22 6.085 7.395 3.530 197 H ALA 23 H ALA 23 3.594 9.218 3.526 198 HA ALA 23 HA ALA 23 4.017 10.606 1.070 199 HB1 ALA 23 HB1 ALA 23 1.723 11.391 1.346 200 HB2 ALA 23 HB2 ALA 23 1.718 10.802 3.012 201 HB3 ALA 23 HB3 ALA 23 1.855 9.662 1.676 202 HA PRO 24 HA PRO 24 5.884 14.189 3.064 203 HB2 PRO 24 HB2 PRO 24 6.244 15.824 0.922 204 HB3 PRO 24 HB3 PRO 24 7.145 14.315 1.126 205 HG2 PRO 24 HG2 PRO 24 4.726 14.855 -0.580 206 HG3 PRO 24 HG3 PRO 24 6.202 13.951 -0.984 207 HD2 PRO 24 HD2 PRO 24 3.840 12.749 -0.206 208 HD3 PRO 24 HD3 PRO 24 5.436 12.013 0.046 209 H ASP 25 H ASP 25 2.997 14.902 1.005 210 HA ASP 25 HA ASP 25 1.817 16.433 3.143 211 HB2 ASP 25 HB2 ASP 25 3.268 18.170 2.141 212 HB3 ASP 25 HB3 ASP 25 2.530 17.900 0.568 213 H GLU 26 H GLU 26 1.057 16.901 -0.325 214 HA GLU 26 HA GLU 26 -1.730 16.365 0.296 215 HB2 GLU 26 HB2 GLU 26 -2.201 17.237 -1.953 216 HB3 GLU 26 HB3 GLU 26 -1.164 18.328 -1.041 217 HG2 GLU 26 HG2 GLU 26 0.787 17.651 -2.314 218 HG3 GLU 26 HG3 GLU 26 -0.126 16.377 -3.117 219 H ALA 27 H ALA 27 0.582 14.186 -0.395 220 HA ALA 27 HA ALA 27 -0.990 12.460 -2.142 221 HB1 ALA 27 HB1 ALA 27 1.577 11.870 -0.624 222 HB2 ALA 27 HB2 ALA 27 1.468 12.409 -2.301 223 HB3 ALA 27 HB3 ALA 27 0.828 10.830 -1.841 224 H ARG 28 H ARG 28 -0.592 13.019 1.287 225 HA ARG 28 HA ARG 28 -0.878 10.379 2.226 226 HB2 ARG 28 HB2 ARG 28 0.160 12.237 3.545 227 HB3 ARG 28 HB3 ARG 28 -1.442 12.921 3.808 228 HG2 ARG 28 HG2 ARG 28 -2.138 10.923 5.036 229 HG3 ARG 28 HG3 ARG 28 -0.604 10.134 4.677 230 HD2 ARG 28 HD2 ARG 28 0.534 11.975 5.998 231 HD3 ARG 28 HD3 ARG 28 -1.078 12.507 6.505 232 HE ARG 28 HE ARG 28 -0.888 9.773 7.039 233 HH11 ARG 28 HH11 ARG 28 0.438 12.728 8.250 234 HH12 ARG 28 HH12 ARG 28 0.925 12.013 9.747 235 HH21 ARG 28 HH21 ARG 28 -0.272 8.895 8.963 236 HH22 ARG 28 HH22 ARG 28 0.530 9.872 10.140 237 H GLU 29 H GLU 29 -3.343 12.917 1.825 238 HA GLU 29 HA GLU 29 -5.429 11.664 3.277 239 HB2 GLU 29 HB2 GLU 29 -5.611 13.712 1.031 240 HB3 GLU 29 HB3 GLU 29 -6.919 13.304 2.139 241 HG2 GLU 29 HG2 GLU 29 -5.671 14.182 4.034 242 HG3 GLU 29 HG3 GLU 29 -4.251 14.445 3.026 243 H ARG 30 H ARG 30 -4.402 11.276 -0.072 244 HA ARG 30 HA ARG 30 -6.576 9.671 -1.012 245 HB2 ARG 30 HB2 ARG 30 -4.803 10.785 -2.464 246 HB3 ARG 30 HB3 ARG 30 -3.648 9.582 -1.906 247 HG2 ARG 30 HG2 ARG 30 -5.138 7.799 -2.899 248 HG3 ARG 30 HG3 ARG 30 -6.136 9.086 -3.572 249 HD2 ARG 30 HD2 ARG 30 -3.231 8.492 -4.235 250 HD3 ARG 30 HD3 ARG 30 -4.626 8.283 -5.295 251 HE ARG 30 HE ARG 30 -3.660 10.919 -4.351 252 HH11 ARG 30 HH11 ARG 30 -5.024 9.014 -6.909 253 HH12 ARG 30 HH12 ARG 30 -4.950 10.327 -8.034 254 HH21 ARG 30 HH21 ARG 30 -3.569 12.533 -5.824 255 HH22 ARG 30 HH22 ARG 30 -4.149 12.275 -7.432 256 H ILE 31 H ILE 31 -3.422 8.947 0.423 257 HA ILE 31 HA ILE 31 -3.588 6.113 0.413 258 HB ILE 31 HB ILE 31 -1.840 7.843 2.257 259 HG12 ILE 31 HG12 ILE 31 -1.212 6.909 -0.582 260 HG13 ILE 31 HG13 ILE 31 -1.685 8.545 -0.159 261 HG21 ILE 31 HG21 ILE 31 -1.397 5.035 1.136 262 HG22 ILE 31 HG22 ILE 31 -1.863 5.413 2.795 263 HG23 ILE 31 HG23 ILE 31 -0.291 5.925 2.186 264 HD11 ILE 31 HD11 ILE 31 0.344 8.785 1.182 265 HD12 ILE 31 HD12 ILE 31 0.694 8.379 -0.497 266 HD13 ILE 31 HD13 ILE 31 0.819 7.142 0.750 267 H GLU 32 H GLU 32 -4.655 8.545 2.773 268 HA GLU 32 HA GLU 32 -5.011 6.930 5.069 269 HB2 GLU 32 HB2 GLU 32 -6.472 9.467 4.192 270 HB3 GLU 32 HB3 GLU 32 -6.718 8.720 5.761 271 HG2 GLU 32 HG2 GLU 32 -4.083 9.833 4.769 272 HG3 GLU 32 HG3 GLU 32 -5.209 10.683 5.823 273 H LYS 33 H LYS 33 -7.394 8.003 2.620 274 HA LYS 33 HA LYS 33 -9.638 6.701 3.720 275 HB2 LYS 33 HB2 LYS 33 -9.823 8.606 2.157 276 HB3 LYS 33 HB3 LYS 33 -9.179 7.618 0.847 277 HG2 LYS 33 HG2 LYS 33 -11.171 6.102 1.086 278 HG3 LYS 33 HG3 LYS 33 -11.825 7.213 2.293 279 HD2 LYS 33 HD2 LYS 33 -11.879 9.018 0.583 280 HD3 LYS 33 HD3 LYS 33 -11.244 7.888 -0.617 281 HE2 LYS 33 HE2 LYS 33 -13.255 6.460 -0.309 282 HE3 LYS 33 HE3 LYS 33 -13.895 7.631 0.845 283 HZ1 LYS 33 HZ1 LYS 33 -14.814 7.844 -1.410 284 HZ2 LYS 33 HZ2 LYS 33 -13.277 8.248 -1.989 285 HZ3 LYS 33 HZ3 LYS 33 -14.053 9.257 -0.878 286 H LEU 34 H LEU 34 -7.610 5.785 0.922 287 HA LEU 34 HA LEU 34 -9.066 3.489 0.189 288 HB2 LEU 34 HB2 LEU 34 -7.493 4.787 -1.268 289 HB3 LEU 34 HB3 LEU 34 -6.143 4.101 -0.383 290 HG LEU 34 HG LEU 34 -6.682 1.849 -1.233 291 HD11 LEU 34 HD11 LEU 34 -8.462 1.484 -2.907 292 HD12 LEU 34 HD12 LEU 34 -9.020 3.143 -2.680 293 HD13 LEU 34 HD13 LEU 34 -9.121 1.985 -1.353 294 HD21 LEU 34 HD21 LEU 34 -6.609 3.902 -3.483 295 HD22 LEU 34 HD22 LEU 34 -6.177 2.196 -3.623 296 HD23 LEU 34 HD23 LEU 34 -5.208 3.266 -2.614 297 H ALA 35 H ALA 35 -6.220 3.854 2.319 298 HA ALA 35 HA ALA 35 -5.661 1.107 2.759 299 HB1 ALA 35 HB1 ALA 35 -5.119 3.439 4.628 300 HB2 ALA 35 HB2 ALA 35 -4.068 2.898 3.318 301 HB3 ALA 35 HB3 ALA 35 -4.362 1.846 4.703 302 H LYS 36 H LYS 36 -7.958 3.297 4.335 303 HA LYS 36 HA LYS 36 -8.744 1.682 6.534 304 HB2 LYS 36 HB2 LYS 36 -10.352 3.738 4.954 305 HB3 LYS 36 HB3 LYS 36 -10.861 3.055 6.498 306 HG2 LYS 36 HG2 LYS 36 -9.095 4.142 7.680 307 HG3 LYS 36 HG3 LYS 36 -8.246 4.553 6.191 308 HD2 LYS 36 HD2 LYS 36 -9.294 6.559 7.083 309 HD3 LYS 36 HD3 LYS 36 -10.100 6.107 5.583 310 HE2 LYS 36 HE2 LYS 36 -11.975 5.158 6.847 311 HE3 LYS 36 HE3 LYS 36 -11.150 5.508 8.368 312 HZ1 LYS 36 HZ1 LYS 36 -12.788 7.184 7.909 313 HZ2 LYS 36 HZ2 LYS 36 -12.114 7.505 6.393 314 HZ3 LYS 36 HZ3 LYS 36 -11.249 7.875 7.796 315 H ASP 37 H ASP 37 -10.106 1.976 3.236 316 HA ASP 37 HA ASP 37 -12.188 0.063 3.548 317 HB2 ASP 37 HB2 ASP 37 -10.845 1.121 1.022 318 HB3 ASP 37 HB3 ASP 37 -12.307 0.134 1.025 319 H VAL 38 H VAL 38 -8.780 -0.312 2.683 320 HA VAL 38 HA VAL 38 -8.818 -2.945 1.647 321 HB VAL 38 HB VAL 38 -6.584 -1.649 3.300 322 HG11 VAL 38 HG11 VAL 38 -6.296 -4.094 3.218 323 HG12 VAL 38 HG12 VAL 38 -5.057 -3.298 2.251 324 HG13 VAL 38 HG13 VAL 38 -6.431 -4.075 1.458 325 HG21 VAL 38 HG21 VAL 38 -6.917 -1.765 0.273 326 HG22 VAL 38 HG22 VAL 38 -5.518 -1.112 1.130 327 HG23 VAL 38 HG23 VAL 38 -7.088 -0.332 1.287 328 H LYS 39 H LYS 39 -8.854 -1.747 4.969 329 HA LYS 39 HA LYS 39 -8.228 -4.180 6.309 330 HB2 LYS 39 HB2 LYS 39 -9.667 -1.732 7.403 331 HB3 LYS 39 HB3 LYS 39 -8.872 -2.986 8.358 332 HG2 LYS 39 HG2 LYS 39 -6.695 -2.382 7.315 333 HG3 LYS 39 HG3 LYS 39 -7.504 -1.101 6.412 334 HD2 LYS 39 HD2 LYS 39 -8.113 -0.007 8.574 335 HD3 LYS 39 HD3 LYS 39 -7.220 -1.271 9.431 336 HE2 LYS 39 HE2 LYS 39 -5.162 -0.591 8.133 337 HE3 LYS 39 HE3 LYS 39 -6.086 0.772 7.494 338 HZ1 LYS 39 HZ1 LYS 39 -5.556 0.258 10.362 339 HZ2 LYS 39 HZ2 LYS 39 -6.389 1.583 9.729 340 HZ3 LYS 39 HZ3 LYS 39 -4.742 1.383 9.404 341 H ASP 40 H ASP 40 -11.301 -2.735 5.344 342 HA ASP 40 HA ASP 40 -13.029 -4.620 6.605 343 HB2 ASP 40 HB2 ASP 40 -13.426 -2.881 4.133 344 HB3 ASP 40 HB3 ASP 40 -14.712 -3.829 4.883 345 H GLU 41 H GLU 41 -11.392 -4.553 3.481 346 HA GLU 41 HA GLU 41 -12.594 -6.912 2.382 347 HB2 GLU 41 HB2 GLU 41 -10.107 -5.366 1.569 348 HB3 GLU 41 HB3 GLU 41 -10.842 -6.645 0.612 349 HG2 GLU 41 HG2 GLU 41 -12.352 -4.137 1.392 350 HG3 GLU 41 HG3 GLU 41 -11.373 -4.239 -0.064 351 H LEU 42 H LEU 42 -9.710 -6.331 4.343 352 HA LEU 42 HA LEU 42 -8.291 -8.723 4.053 353 HB2 LEU 42 HB2 LEU 42 -8.742 -7.235 6.677 354 HB3 LEU 42 HB3 LEU 42 -7.491 -8.429 6.391 355 HG LEU 42 HG LEU 42 -7.652 -5.648 5.174 356 HD11 LEU 42 HD11 LEU 42 -6.914 -5.662 7.515 357 HD12 LEU 42 HD12 LEU 42 -5.605 -5.192 6.436 358 HD13 LEU 42 HD13 LEU 42 -5.640 -6.821 7.118 359 HD21 LEU 42 HD21 LEU 42 -6.725 -7.168 3.505 360 HD22 LEU 42 HD22 LEU 42 -5.544 -7.762 4.671 361 HD23 LEU 42 HD23 LEU 42 -5.481 -6.085 4.122 362 H GLU 43 H GLU 43 -11.153 -8.057 6.034 363 HA GLU 43 HA GLU 43 -11.289 -10.830 7.038 364 HB2 GLU 43 HB2 GLU 43 -12.798 -8.316 7.873 365 HB3 GLU 43 HB3 GLU 43 -13.003 -9.901 8.618 366 HG2 GLU 43 HG2 GLU 43 -10.622 -9.870 9.327 367 HG3 GLU 43 HG3 GLU 43 -10.433 -8.279 8.596 368 H GLU 44 H GLU 44 -13.010 -8.632 4.880 369 HA GLU 44 HA GLU 44 -14.844 -10.767 4.034 370 HB2 GLU 44 HB2 GLU 44 -16.066 -9.575 5.833 371 HB3 GLU 44 HB3 GLU 44 -15.850 -8.048 4.986 372 HG2 GLU 44 HG2 GLU 44 -17.207 -8.953 3.087 373 HG3 GLU 44 HG3 GLU 44 -17.480 -10.427 4.014 374 H GLY 45 H GLY 45 -14.349 -10.878 1.915 375 HA2 GLY 45 HA2 GLY 45 -15.087 -9.742 -0.234 376 HA3 GLY 45 HA3 GLY 45 -14.101 -8.385 0.295 377 H ASP 46 H ASP 46 -12.239 -8.303 -0.823 378 HA ASP 46 HA ASP 46 -10.492 -10.639 -0.946 379 HB2 ASP 46 HB2 ASP 46 -11.883 -10.625 -3.103 380 HB3 ASP 46 HB3 ASP 46 -11.090 -9.113 -3.530 381 H ALA 47 H ALA 47 -8.938 -9.730 0.268 382 HA ALA 47 HA ALA 47 -8.099 -7.040 0.328 383 HB1 ALA 47 HB1 ALA 47 -6.522 -9.528 1.071 384 HB2 ALA 47 HB2 ALA 47 -7.643 -8.663 2.122 385 HB3 ALA 47 HB3 ALA 47 -6.158 -7.877 1.583 386 H LYS 48 H LYS 48 -6.958 -9.765 -1.649 387 HA LYS 48 HA LYS 48 -4.480 -8.703 -2.494 388 HB2 LYS 48 HB2 LYS 48 -5.340 -11.133 -2.624 389 HB3 LYS 48 HB3 LYS 48 -6.178 -10.666 -4.091 390 HG2 LYS 48 HG2 LYS 48 -3.185 -10.339 -3.788 391 HG3 LYS 48 HG3 LYS 48 -3.896 -11.860 -4.297 392 HD2 LYS 48 HD2 LYS 48 -4.153 -9.213 -5.776 393 HD3 LYS 48 HD3 LYS 48 -3.041 -10.513 -6.194 394 HE2 LYS 48 HE2 LYS 48 -4.850 -10.753 -7.702 395 HE3 LYS 48 HE3 LYS 48 -5.129 -11.994 -6.485 396 HZ1 LYS 48 HZ1 LYS 48 -7.147 -10.786 -7.096 397 HZ2 LYS 48 HZ2 LYS 48 -6.462 -9.336 -6.561 398 HZ3 LYS 48 HZ3 LYS 48 -6.785 -10.581 -5.458 399 H ASN 49 H ASN 49 -7.753 -8.396 -3.837 400 HA ASN 49 HA ASN 49 -7.071 -7.047 -6.245 401 HB2 ASN 49 HB2 ASN 49 -9.269 -8.170 -5.829 402 HB3 ASN 49 HB3 ASN 49 -9.690 -6.892 -4.697 403 HD21 ASN 49 HD21 ASN 49 -9.108 -7.641 -8.070 404 HD22 ASN 49 HD22 ASN 49 -9.893 -6.246 -8.709 405 H MET 50 H MET 50 -7.802 -5.898 -2.994 406 HA MET 50 HA MET 50 -7.732 -3.110 -3.435 407 HB2 MET 50 HB2 MET 50 -6.947 -4.627 -0.913 408 HB3 MET 50 HB3 MET 50 -7.362 -2.917 -1.008 409 HG2 MET 50 HG2 MET 50 -9.242 -5.190 -1.647 410 HG3 MET 50 HG3 MET 50 -9.185 -4.312 -0.119 411 HE1 MET 50 HE1 MET 50 -8.744 -1.275 -1.013 412 HE2 MET 50 HE2 MET 50 -9.912 -1.822 0.192 413 HE3 MET 50 HE3 MET 50 -10.426 -0.751 -1.117 414 H ILE 51 H ILE 51 -5.177 -5.453 -2.679 415 HA ILE 51 HA ILE 51 -3.073 -3.596 -2.185 416 HB ILE 51 HB ILE 51 -2.860 -6.522 -3.032 417 HG12 ILE 51 HG12 ILE 51 -2.796 -5.434 -0.175 418 HG13 ILE 51 HG13 ILE 51 -4.250 -6.075 -0.929 419 HG21 ILE 51 HG21 ILE 51 -0.632 -6.502 -1.940 420 HG22 ILE 51 HG22 ILE 51 -0.805 -4.777 -1.607 421 HG23 ILE 51 HG23 ILE 51 -0.706 -5.349 -3.272 422 HD11 ILE 51 HD11 ILE 51 -3.217 -7.725 0.483 423 HD12 ILE 51 HD12 ILE 51 -1.704 -7.598 -0.411 424 HD13 ILE 51 HD13 ILE 51 -3.147 -8.241 -1.201 425 H GLU 52 H GLU 52 -4.099 -5.374 -5.128 426 HA GLU 52 HA GLU 52 -1.892 -4.498 -6.737 427 HB2 GLU 52 HB2 GLU 52 -3.076 -5.484 -8.656 428 HB3 GLU 52 HB3 GLU 52 -3.023 -6.583 -7.288 429 HG2 GLU 52 HG2 GLU 52 -5.370 -5.996 -6.746 430 HG3 GLU 52 HG3 GLU 52 -5.424 -4.956 -8.168 431 H LYS 53 H LYS 53 -5.195 -3.275 -6.268 432 HA LYS 53 HA LYS 53 -4.854 -1.193 -8.270 433 HB2 LYS 53 HB2 LYS 53 -7.018 -0.355 -7.652 434 HB3 LYS 53 HB3 LYS 53 -7.096 -2.105 -7.809 435 HG2 LYS 53 HG2 LYS 53 -7.342 -2.427 -5.483 436 HG3 LYS 53 HG3 LYS 53 -6.819 -0.781 -5.108 437 HD2 LYS 53 HD2 LYS 53 -8.835 0.172 -5.808 438 HD3 LYS 53 HD3 LYS 53 -9.277 -1.209 -6.810 439 HE2 LYS 53 HE2 LYS 53 -9.232 -1.263 -3.774 440 HE3 LYS 53 HE3 LYS 53 -10.672 -0.944 -4.739 441 HZ1 LYS 53 HZ1 LYS 53 -10.496 -3.272 -4.025 442 HZ2 LYS 53 HZ2 LYS 53 -9.064 -3.434 -4.911 443 HZ3 LYS 53 HZ3 LYS 53 -10.518 -3.117 -5.710 444 H PHE 54 H PHE 54 -4.326 -1.485 -4.815 445 HA PHE 54 HA PHE 54 -3.811 1.279 -4.301 446 HB2 PHE 54 HB2 PHE 54 -4.216 -0.425 -2.467 447 HB3 PHE 54 HB3 PHE 54 -2.631 -1.116 -2.800 448 HD1 PHE 54 HD1 PHE 54 -0.566 0.115 -2.158 449 HD2 PHE 54 HD2 PHE 54 -4.427 1.768 -1.353 450 HE1 PHE 54 HE1 PHE 54 0.457 1.819 -0.724 451 HE2 PHE 54 HE2 PHE 54 -3.395 3.463 0.095 452 HZ PHE 54 HZ PHE 54 -0.944 3.497 0.388 453 H ARG 55 H ARG 55 -1.902 -1.428 -5.536 454 HA ARG 55 HA ARG 55 0.679 -0.194 -5.504 455 HB2 ARG 55 HB2 ARG 55 0.507 -2.628 -5.754 456 HB3 ARG 55 HB3 ARG 55 -0.417 -2.458 -7.241 457 HG2 ARG 55 HG2 ARG 55 1.619 -1.411 -8.308 458 HG3 ARG 55 HG3 ARG 55 2.521 -1.777 -6.838 459 HD2 ARG 55 HD2 ARG 55 2.286 -4.139 -7.183 460 HD3 ARG 55 HD3 ARG 55 1.098 -3.905 -8.466 461 HE ARG 55 HE ARG 55 3.971 -3.204 -8.692 462 HH11 ARG 55 HH11 ARG 55 1.038 -4.256 -10.216 463 HH12 ARG 55 HH12 ARG 55 1.820 -4.561 -11.725 464 HH21 ARG 55 HH21 ARG 55 4.925 -3.608 -10.627 465 HH22 ARG 55 HH22 ARG 55 3.985 -4.189 -11.958 466 H ASP 56 H ASP 56 -1.982 -0.247 -7.835 467 HA ASP 56 HA ASP 56 -0.722 0.911 -10.080 468 HB2 ASP 56 HB2 ASP 56 -2.934 -0.219 -10.122 469 HB3 ASP 56 HB3 ASP 56 -3.631 1.079 -9.161 470 H GLU 57 H GLU 57 -2.602 2.411 -7.450 471 HA GLU 57 HA GLU 57 -2.027 5.128 -8.189 472 HB2 GLU 57 HB2 GLU 57 -3.277 3.848 -5.734 473 HB3 GLU 57 HB3 GLU 57 -3.052 5.591 -5.866 474 HG2 GLU 57 HG2 GLU 57 -4.632 3.941 -7.864 475 HG3 GLU 57 HG3 GLU 57 -5.349 4.756 -6.477 476 H MET 58 H MET 58 -0.465 2.798 -6.041 477 HA MET 58 HA MET 58 1.099 4.483 -4.467 478 HB2 MET 58 HB2 MET 58 0.841 2.048 -4.038 479 HB3 MET 58 HB3 MET 58 1.833 1.698 -5.451 480 HG2 MET 58 HG2 MET 58 3.136 1.496 -3.399 481 HG3 MET 58 HG3 MET 58 3.740 2.830 -4.389 482 HE1 MET 58 HE1 MET 58 4.832 4.509 -2.842 483 HE2 MET 58 HE2 MET 58 4.926 3.114 -1.760 484 HE3 MET 58 HE3 MET 58 4.391 4.680 -1.143 485 H GLU 59 H GLU 59 1.929 2.915 -7.544 486 HA GLU 59 HA GLU 59 4.503 4.033 -7.862 487 HB2 GLU 59 HB2 GLU 59 3.672 2.020 -9.070 488 HB3 GLU 59 HB3 GLU 59 2.572 3.035 -9.994 489 HG2 GLU 59 HG2 GLU 59 4.546 4.236 -10.956 490 HG3 GLU 59 HG3 GLU 59 5.609 3.125 -10.092 491 H GLN 60 H GLN 60 1.326 5.069 -8.950 492 HA GLN 60 HA GLN 60 1.947 7.256 -10.557 493 HB2 GLN 60 HB2 GLN 60 -0.228 6.241 -10.525 494 HB3 GLN 60 HB3 GLN 60 -0.450 6.561 -8.821 495 HG2 GLN 60 HG2 GLN 60 -0.222 8.900 -10.708 496 HG3 GLN 60 HG3 GLN 60 -1.712 7.970 -10.691 497 HE21 GLN 60 HE21 GLN 60 -2.860 7.817 -8.648 498 HE22 GLN 60 HE22 GLN 60 -2.730 9.096 -7.497 499 H MET 61 H MET 61 1.159 7.323 -7.024 500 HA MET 61 HA MET 61 1.699 10.153 -6.798 501 HB2 MET 61 HB2 MET 61 1.255 9.850 -4.370 502 HB3 MET 61 HB3 MET 61 -0.021 9.194 -5.382 503 HG2 MET 61 HG2 MET 61 1.028 6.918 -5.056 504 HG3 MET 61 HG3 MET 61 2.074 7.664 -3.844 505 HE1 MET 61 HE1 MET 61 -0.122 5.162 -3.450 506 HE2 MET 61 HE2 MET 61 -0.670 5.563 -1.822 507 HE3 MET 61 HE3 MET 61 1.046 5.664 -2.231 508 H TYR 62 H TYR 62 3.599 7.271 -6.429 509 HA TYR 62 HA TYR 62 5.810 8.367 -4.996 510 HB2 TYR 62 HB2 TYR 62 5.674 5.994 -5.005 511 HB3 TYR 62 HB3 TYR 62 5.454 5.912 -6.749 512 HD1 TYR 62 HD1 TYR 62 8.000 6.658 -4.098 513 HD2 TYR 62 HD2 TYR 62 7.342 5.641 -8.200 514 HE1 TYR 62 HE1 TYR 62 10.411 6.348 -4.419 515 HE2 TYR 62 HE2 TYR 62 9.752 5.327 -8.509 516 HH TYR 62 HH TYR 62 11.923 5.039 -6.032 517 H LYS 63 H LYS 63 5.114 8.110 -8.515 518 HA LYS 63 HA LYS 63 7.642 9.129 -9.373 519 HB2 LYS 63 HB2 LYS 63 4.965 9.088 -10.819 520 HB3 LYS 63 HB3 LYS 63 6.485 9.552 -11.577 521 HG2 LYS 63 HG2 LYS 63 5.804 6.829 -10.433 522 HG3 LYS 63 HG3 LYS 63 5.932 7.248 -12.143 523 HD2 LYS 63 HD2 LYS 63 8.357 7.735 -11.820 524 HD3 LYS 63 HD3 LYS 63 8.213 7.286 -10.118 525 HE2 LYS 63 HE2 LYS 63 9.170 5.442 -11.396 526 HE3 LYS 63 HE3 LYS 63 7.577 4.987 -10.791 527 HZ1 LYS 63 HZ1 LYS 63 8.182 5.904 -13.552 528 HZ2 LYS 63 HZ2 LYS 63 6.661 5.443 -12.979 529 HZ3 LYS 63 HZ3 LYS 63 7.906 4.303 -13.080 530 H ASP 64 H ASP 64 4.611 10.682 -8.500 531 HA ASP 64 HA ASP 64 5.323 13.372 -9.102 532 HB2 ASP 64 HB2 ASP 64 2.991 12.753 -8.754 533 HB3 ASP 64 HB3 ASP 64 3.330 12.170 -7.130 534 H ALA 65 H ALA 65 5.599 11.411 -6.121 535 HA ALA 65 HA ALA 65 7.569 13.305 -4.988 536 HB1 ALA 65 HB1 ALA 65 5.381 13.863 -4.004 537 HB2 ALA 65 HB2 ALA 65 6.464 13.185 -2.786 538 HB3 ALA 65 HB3 ALA 65 5.178 12.191 -3.475 539 HA PRO 66 HA PRO 66 9.206 8.985 -4.461 540 HB2 PRO 66 HB2 PRO 66 11.784 9.836 -5.492 541 HB3 PRO 66 HB3 PRO 66 10.590 8.805 -6.281 542 HG2 PRO 66 HG2 PRO 66 11.263 11.360 -7.148 543 HG3 PRO 66 HG3 PRO 66 9.734 10.541 -7.529 544 HD2 PRO 66 HD2 PRO 66 10.303 12.599 -5.390 545 HD3 PRO 66 HD3 PRO 66 8.908 12.466 -6.488 546 H ASN 67 H ASN 67 9.074 9.331 -2.173 547 HA ASN 67 HA ASN 67 11.184 10.856 -0.802 548 HB2 ASN 67 HB2 ASN 67 8.696 9.491 0.320 549 HB3 ASN 67 HB3 ASN 67 9.777 10.554 1.219 550 HD21 ASN 67 HD21 ASN 67 7.302 10.396 -1.222 551 HD22 ASN 67 HD22 ASN 67 7.000 12.090 -1.298 552 H ALA 68 H ALA 68 12.402 8.764 -1.925 553 HA ALA 68 HA ALA 68 13.880 7.079 -1.615 554 HB1 ALA 68 HB1 ALA 68 13.871 8.030 1.267 555 HB2 ALA 68 HB2 ALA 68 14.811 8.728 -0.051 556 HB3 ALA 68 HB3 ALA 68 15.144 7.082 0.488 557 H VAL 69 H VAL 69 12.419 6.687 1.623 558 HA VAL 69 HA VAL 69 12.307 3.878 1.651 559 HB VAL 69 HB VAL 69 10.497 5.766 3.243 560 HG11 VAL 69 HG11 VAL 69 9.807 3.410 3.415 561 HG12 VAL 69 HG12 VAL 69 10.458 3.976 4.952 562 HG13 VAL 69 HG13 VAL 69 11.438 2.946 3.906 563 HG21 VAL 69 HG21 VAL 69 12.227 5.772 5.010 564 HG22 VAL 69 HG22 VAL 69 12.845 6.464 3.511 565 HG23 VAL 69 HG23 VAL 69 13.299 4.824 3.975 566 H MET 70 H MET 70 10.037 6.279 0.510 567 HA MET 70 HA MET 70 7.666 4.839 0.235 568 HB2 MET 70 HB2 MET 70 8.037 7.349 -0.006 569 HB3 MET 70 HB3 MET 70 8.640 7.050 -1.626 570 HG2 MET 70 HG2 MET 70 6.470 6.266 -2.350 571 HG3 MET 70 HG3 MET 70 5.858 6.304 -0.696 572 HE1 MET 70 HE1 MET 70 3.719 7.789 -1.250 573 HE2 MET 70 HE2 MET 70 4.154 7.664 -2.957 574 HE3 MET 70 HE3 MET 70 3.791 9.238 -2.250 575 H GLU 71 H GLU 71 10.569 4.705 -1.784 576 HA GLU 71 HA GLU 71 9.415 3.257 -3.991 577 HB2 GLU 71 HB2 GLU 71 11.562 4.445 -4.256 578 HB3 GLU 71 HB3 GLU 71 12.319 3.408 -3.050 579 HG2 GLU 71 HG2 GLU 71 11.991 1.449 -4.535 580 HG3 GLU 71 HG3 GLU 71 11.238 2.487 -5.741 581 H GLN 72 H GLN 72 11.226 2.264 -1.070 582 HA GLN 72 HA GLN 72 11.328 -0.509 -1.664 583 HB2 GLN 72 HB2 GLN 72 12.624 1.029 0.140 584 HB3 GLN 72 HB3 GLN 72 11.388 0.407 1.213 585 HG2 GLN 72 HG2 GLN 72 13.347 -1.279 -0.385 586 HG3 GLN 72 HG3 GLN 72 13.514 -0.873 1.314 587 HE21 GLN 72 HE21 GLN 72 11.834 -2.854 -0.997 588 HE22 GLN 72 HE22 GLN 72 11.064 -3.882 0.149 589 H LEU 73 H LEU 73 9.027 1.471 0.147 590 HA LEU 73 HA LEU 73 7.250 -0.503 1.080 591 HB2 LEU 73 HB2 LEU 73 6.802 2.391 0.278 592 HB3 LEU 73 HB3 LEU 73 5.568 1.412 1.061 593 HG LEU 73 HG LEU 73 8.287 1.963 2.312 594 HD11 LEU 73 HD11 LEU 73 5.681 3.426 2.820 595 HD12 LEU 73 HD12 LEU 73 7.127 4.095 2.061 596 HD13 LEU 73 HD13 LEU 73 7.168 3.614 3.755 597 HD21 LEU 73 HD21 LEU 73 5.724 0.867 3.527 598 HD22 LEU 73 HD22 LEU 73 7.234 1.174 4.387 599 HD23 LEU 73 HD23 LEU 73 7.172 -0.073 3.144 600 H LEU 74 H LEU 74 7.160 1.403 -1.938 601 HA LEU 74 HA LEU 74 4.970 0.302 -3.269 602 HB2 LEU 74 HB2 LEU 74 6.337 2.288 -3.932 603 HB3 LEU 74 HB3 LEU 74 7.641 1.234 -4.429 604 HG LEU 74 HG LEU 74 4.910 1.189 -5.789 605 HD11 LEU 74 HD11 LEU 74 5.866 2.664 -7.519 606 HD12 LEU 74 HD12 LEU 74 7.327 2.861 -6.547 607 HD13 LEU 74 HD13 LEU 74 5.775 3.460 -5.949 608 HD21 LEU 74 HD21 LEU 74 7.638 0.251 -6.763 609 HD22 LEU 74 HD22 LEU 74 6.155 0.254 -7.720 610 HD23 LEU 74 HD23 LEU 74 6.279 -0.780 -6.303 611 H GLU 75 H GLU 75 8.354 -0.759 -3.283 612 HA GLU 75 HA GLU 75 8.203 -2.946 -5.021 613 HB2 GLU 75 HB2 GLU 75 10.310 -1.837 -4.299 614 HB3 GLU 75 HB3 GLU 75 10.086 -2.462 -2.672 615 HG2 GLU 75 HG2 GLU 75 10.283 -4.781 -3.573 616 HG3 GLU 75 HG3 GLU 75 10.612 -4.104 -5.164 617 H GLU 76 H GLU 76 7.796 -2.768 -1.493 618 HA GLU 76 HA GLU 76 7.475 -5.530 -0.984 619 HB2 GLU 76 HB2 GLU 76 6.662 -3.059 0.591 620 HB3 GLU 76 HB3 GLU 76 6.370 -4.688 1.190 621 HG2 GLU 76 HG2 GLU 76 9.066 -3.435 0.599 622 HG3 GLU 76 HG3 GLU 76 8.389 -3.810 2.185 623 H ILE 77 H ILE 77 5.071 -2.999 -1.718 624 HA ILE 77 HA ILE 77 2.718 -4.523 -1.345 625 HB ILE 77 HB ILE 77 3.253 -2.190 -3.244 626 HG12 ILE 77 HG12 ILE 77 1.920 -2.203 -0.491 627 HG13 ILE 77 HG13 ILE 77 3.601 -1.774 -0.777 628 HG21 ILE 77 HG21 ILE 77 0.554 -3.313 -2.381 629 HG22 ILE 77 HG22 ILE 77 1.241 -3.386 -4.004 630 HG23 ILE 77 HG23 ILE 77 0.797 -1.829 -3.310 631 HD11 ILE 77 HD11 ILE 77 2.203 0.176 -0.488 632 HD12 ILE 77 HD12 ILE 77 1.215 -0.302 -1.867 633 HD13 ILE 77 HD13 ILE 77 2.910 0.134 -2.102 634 H GLU 78 H GLU 78 4.833 -4.163 -4.184 635 HA GLU 78 HA GLU 78 3.323 -5.790 -5.987 636 HB2 GLU 78 HB2 GLU 78 5.040 -4.112 -6.685 637 HB3 GLU 78 HB3 GLU 78 6.307 -5.140 -6.019 638 HG2 GLU 78 HG2 GLU 78 5.736 -6.906 -7.649 639 HG3 GLU 78 HG3 GLU 78 4.448 -5.899 -8.304 640 H LYS 79 H LYS 79 6.075 -6.468 -3.822 641 HA LYS 79 HA LYS 79 6.402 -9.221 -4.406 642 HB2 LYS 79 HB2 LYS 79 7.128 -7.536 -1.985 643 HB3 LYS 79 HB3 LYS 79 7.514 -9.254 -2.070 644 HG2 LYS 79 HG2 LYS 79 8.935 -8.899 -4.013 645 HG3 LYS 79 HG3 LYS 79 8.463 -7.197 -4.092 646 HD2 LYS 79 HD2 LYS 79 9.575 -6.728 -1.979 647 HD3 LYS 79 HD3 LYS 79 9.919 -8.444 -1.728 648 HE2 LYS 79 HE2 LYS 79 11.433 -8.457 -3.643 649 HE3 LYS 79 HE3 LYS 79 11.025 -6.782 -4.018 650 HZ1 LYS 79 HZ1 LYS 79 12.024 -6.095 -1.938 651 HZ2 LYS 79 HZ2 LYS 79 13.136 -6.973 -2.854 652 HZ3 LYS 79 HZ3 LYS 79 12.377 -7.701 -1.534 653 H LEU 80 H LEU 80 4.203 -7.557 -2.217 654 HA LEU 80 HA LEU 80 3.232 -9.871 -0.846 655 HB2 LEU 80 HB2 LEU 80 2.536 -6.976 -0.929 656 HB3 LEU 80 HB3 LEU 80 1.180 -8.024 -0.574 657 HG LEU 80 HG LEU 80 2.262 -7.124 1.482 658 HD11 LEU 80 HD11 LEU 80 2.494 -10.136 1.217 659 HD12 LEU 80 HD12 LEU 80 1.030 -9.228 1.609 660 HD13 LEU 80 HD13 LEU 80 2.389 -9.225 2.727 661 HD21 LEU 80 HD21 LEU 80 4.587 -7.003 0.736 662 HD22 LEU 80 HD22 LEU 80 4.683 -8.764 0.659 663 HD23 LEU 80 HD23 LEU 80 4.459 -7.954 2.211 664 H LEU 81 H LEU 81 2.261 -8.203 -3.820 665 HA LEU 81 HA LEU 81 -0.118 -9.655 -4.357 666 HB2 LEU 81 HB2 LEU 81 1.869 -8.297 -6.200 667 HB3 LEU 81 HB3 LEU 81 0.395 -9.044 -6.798 668 HG LEU 81 HG LEU 81 0.507 -6.729 -4.832 669 HD11 LEU 81 HD11 LEU 81 -0.310 -6.742 -7.751 670 HD12 LEU 81 HD12 LEU 81 1.196 -6.082 -7.109 671 HD13 LEU 81 HD13 LEU 81 -0.343 -5.359 -6.652 672 HD21 LEU 81 HD21 LEU 81 -1.941 -6.638 -5.141 673 HD22 LEU 81 HD22 LEU 81 -1.441 -8.160 -4.415 674 HD23 LEU 81 HD23 LEU 81 -1.880 -8.102 -6.125 675 H LYS 82 H LYS 82 3.232 -10.207 -5.384 676 HA LYS 82 HA LYS 82 2.755 -12.630 -6.793 677 HB2 LYS 82 HB2 LYS 82 5.356 -11.639 -5.558 678 HB3 LYS 82 HB3 LYS 82 5.206 -12.895 -6.787 679 HG2 LYS 82 HG2 LYS 82 4.237 -11.187 -8.353 680 HG3 LYS 82 HG3 LYS 82 4.519 -9.955 -7.123 681 HD2 LYS 82 HD2 LYS 82 6.338 -9.849 -8.710 682 HD3 LYS 82 HD3 LYS 82 6.975 -10.508 -7.202 683 HE2 LYS 82 HE2 LYS 82 6.790 -12.801 -8.167 684 HE3 LYS 82 HE3 LYS 82 6.229 -12.094 -9.683 685 HZ1 LYS 82 HZ1 LYS 82 8.878 -11.620 -8.423 686 HZ2 LYS 82 HZ2 LYS 82 8.345 -10.938 -9.879 687 HZ3 LYS 82 HZ3 LYS 82 8.576 -12.609 -9.764 688 H LYS 83 H LYS 83 3.460 -11.894 -3.445 689 HA LYS 83 HA LYS 83 3.913 -14.552 -2.485 690 HB2 LYS 83 HB2 LYS 83 4.671 -12.457 -1.351 691 HB3 LYS 83 HB3 LYS 83 3.001 -12.062 -0.982 692 HG2 LYS 83 HG2 LYS 83 2.834 -14.029 0.471 693 HG3 LYS 83 HG3 LYS 83 4.484 -14.497 0.059 694 HD2 LYS 83 HD2 LYS 83 3.769 -11.864 1.416 695 HD3 LYS 83 HD3 LYS 83 4.215 -13.320 2.300 696 HE2 LYS 83 HE2 LYS 83 6.162 -11.902 2.155 697 HE3 LYS 83 HE3 LYS 83 6.435 -13.296 1.117 698 HZ1 LYS 83 HZ1 LYS 83 7.159 -11.199 0.122 699 HZ2 LYS 83 HZ2 LYS 83 5.579 -10.608 0.171 700 HZ3 LYS 83 HZ3 LYS 83 5.953 -11.939 -0.803 701 H ALA 84 H ALA 84 1.024 -12.524 -2.830 702 HA ALA 84 HA ALA 84 -0.712 -14.432 -1.437 703 HB1 ALA 84 HB1 ALA 84 -1.375 -11.753 -2.699 704 HB2 ALA 84 HB2 ALA 84 -0.996 -12.031 -0.999 705 HB3 ALA 84 HB3 ALA 84 -2.457 -12.728 -1.700 706 H GLY 85 H GLY 85 0.294 -13.836 -4.673 707 HA2 GLY 85 HA2 GLY 85 -1.498 -15.764 -5.825 708 HA3 GLY 85 HA3 GLY 85 -1.960 -14.119 -6.236 709 H SER 86 H SER 86 -1.184 -13.418 -8.149 710 HA SER 86 HA SER 86 -0.077 -13.288 -10.137 711 HB2 SER 86 HB2 SER 86 1.813 -12.493 -8.723 712 HB3 SER 86 HB3 SER 86 2.371 -14.150 -8.524 713 HG SER 86 HG SER 86 2.931 -14.209 -10.660 714 H LEU 87 H LEU 87 -1.251 -15.910 -9.227 715 HA LEU 87 HA LEU 87 -1.472 -18.087 -9.713 716 HB2 LEU 87 HB2 LEU 87 -0.179 -17.154 -12.285 717 HB3 LEU 87 HB3 LEU 87 -0.613 -18.838 -12.058 718 HG LEU 87 HG LEU 87 -3.012 -18.129 -11.709 719 HD11 LEU 87 HD11 LEU 87 -3.767 -15.907 -12.392 720 HD12 LEU 87 HD12 LEU 87 -2.096 -15.387 -12.631 721 HD13 LEU 87 HD13 LEU 87 -2.671 -15.798 -11.016 722 HD21 LEU 87 HD21 LEU 87 -1.815 -17.338 -14.388 723 HD22 LEU 87 HD22 LEU 87 -3.504 -17.762 -14.081 724 HD23 LEU 87 HD23 LEU 87 -2.245 -18.976 -13.881 725 H VAL 88 H VAL 88 1.130 -17.073 -8.448 726 HA VAL 88 HA VAL 88 2.298 -19.636 -7.962 727 HB VAL 88 HB VAL 88 3.459 -19.204 -10.070 728 HG11 VAL 88 HG11 VAL 88 4.971 -17.290 -10.442 729 HG12 VAL 88 HG12 VAL 88 4.479 -16.590 -8.899 730 HG13 VAL 88 HG13 VAL 88 3.303 -16.763 -10.203 731 HG21 VAL 88 HG21 VAL 88 5.369 -18.848 -7.728 732 HG22 VAL 88 HG22 VAL 88 5.812 -19.408 -9.342 733 HG23 VAL 88 HG23 VAL 88 4.738 -20.381 -8.339 734 HA PRO 89 HA PRO 89 2.074 -16.377 -4.609 735 HB2 PRO 89 HB2 PRO 89 1.090 -17.972 -2.610 736 HB3 PRO 89 HB3 PRO 89 0.075 -17.285 -3.884 737 HG2 PRO 89 HG2 PRO 89 1.268 -20.047 -3.702 738 HG3 PRO 89 HG3 PRO 89 -0.388 -19.570 -4.136 739 HD2 PRO 89 HD2 PRO 89 1.468 -20.204 -6.013 740 HD3 PRO 89 HD3 PRO 89 0.216 -18.978 -6.310 741 H ARG 90 H ARG 90 4.354 -16.104 -4.523 742 HA ARG 90 HA ARG 90 5.558 -17.004 -2.066 743 HB2 ARG 90 HB2 ARG 90 6.094 -18.890 -3.578 744 HB3 ARG 90 HB3 ARG 90 6.868 -17.785 -4.707 745 HG2 ARG 90 HG2 ARG 90 8.734 -17.454 -3.301 746 HG3 ARG 90 HG3 ARG 90 7.868 -17.999 -1.862 747 HD2 ARG 90 HD2 ARG 90 8.695 -19.783 -4.184 748 HD3 ARG 90 HD3 ARG 90 9.545 -19.657 -2.639 749 HE ARG 90 HE ARG 90 7.154 -20.330 -1.757 750 HH11 ARG 90 HH11 ARG 90 8.797 -21.725 -4.474 751 HH12 ARG 90 HH12 ARG 90 8.052 -23.269 -4.244 752 HH21 ARG 90 HH21 ARG 90 6.210 -22.285 -1.527 753 HH22 ARG 90 HH22 ARG 90 6.597 -23.579 -2.605 754 H GLY 91 H GLY 91 6.790 -15.624 -5.192 755 HA2 GLY 91 HA2 GLY 91 6.782 -13.029 -5.013 756 HA3 GLY 91 HA3 GLY 91 7.883 -13.305 -3.678 757 H SER 92 H SER 92 9.470 -15.371 -4.777 758 HA SER 92 HA SER 92 11.386 -13.723 -6.112 759 HB2 SER 92 HB2 SER 92 11.443 -16.701 -5.492 760 HB3 SER 92 HB3 SER 92 12.829 -15.774 -6.071 761 HG SER 92 HG SER 92 12.792 -14.573 -4.187 762 H TYR 93 H TYR 93 12.441 -14.010 -8.118 763 HA TYR 93 HA TYR 93 11.143 -15.700 -10.187 764 HB2 TYR 93 HB2 TYR 93 10.390 -13.383 -10.548 765 HB3 TYR 93 HB3 TYR 93 12.048 -12.796 -10.497 766 HD1 TYR 93 HD2 TYR 93 10.088 -15.406 -12.424 767 HD2 TYR 93 HD1 TYR 93 12.947 -12.231 -12.614 768 HE1 TYR 93 HE2 TYR 93 10.261 -15.696 -14.858 769 HE2 TYR 93 HE1 TYR 93 13.114 -12.528 -15.046 770 HH TYR 93 HH TYR 93 10.910 -14.326 -16.843 771 H LEU 94 H LEU 94 12.547 -16.525 -11.801 772 HA LEU 94 HA LEU 94 15.323 -16.889 -11.028 773 HB2 LEU 94 HB2 LEU 94 13.686 -17.987 -13.351 774 HB3 LEU 94 HB3 LEU 94 15.392 -18.340 -13.130 775 HG LEU 94 HG LEU 94 14.827 -19.399 -10.900 776 HD11 LEU 94 HD11 LEU 94 12.520 -20.066 -10.413 777 HD12 LEU 94 HD12 LEU 94 11.942 -19.150 -11.806 778 HD13 LEU 94 HD13 LEU 94 12.679 -18.310 -10.441 779 HD21 LEU 94 HD21 LEU 94 13.984 -21.496 -11.862 780 HD22 LEU 94 HD22 LEU 94 15.208 -20.769 -12.897 781 HD23 LEU 94 HD23 LEU 94 13.502 -20.646 -13.334 782 H GLU 95 H GLU 95 17.047 -15.804 -11.832 783 HA GLU 95 HA GLU 95 16.634 -13.450 -13.460 784 HB2 GLU 95 HB2 GLU 95 18.986 -12.948 -12.951 785 HB3 GLU 95 HB3 GLU 95 18.123 -13.414 -11.491 786 HG2 GLU 95 HG2 GLU 95 19.127 -15.673 -11.603 787 HG3 GLU 95 HG3 GLU 95 19.966 -15.232 -13.088 788 H HIS 96 H HIS 96 16.774 -16.450 -14.595 789 HA HIS 96 HA HIS 96 17.392 -17.580 -16.440 790 HB2 HIS 96 HB2 HIS 96 18.265 -14.869 -17.536 791 HB3 HIS 96 HB3 HIS 96 18.162 -16.344 -18.485 792 HD1 HIS 96 HD1 HIS 96 16.288 -15.870 -20.058 793 HD2 HIS 96 HD2 HIS 96 15.307 -14.805 -16.159 794 HE1 HIS 96 HE1 HIS 96 13.909 -15.106 -20.143 795 HE2 HIS 96 HE2 HIS 96 13.395 -14.312 -17.821 796 H HIS 97 H HIS 97 19.416 -18.087 -17.902 797 HA HIS 97 HA HIS 97 21.808 -18.177 -16.238 798 HB2 HIS 97 HB2 HIS 97 21.212 -19.281 -19.012 799 HB3 HIS 97 HB3 HIS 97 22.766 -19.473 -18.207 800 HD1 HIS 97 HD1 HIS 97 19.667 -21.209 -18.670 801 HD2 HIS 97 HD2 HIS 97 22.367 -20.849 -15.533 802 HE1 HIS 97 HE1 HIS 97 19.229 -23.172 -17.178 803 HE2 HIS 97 HE2 HIS 97 20.758 -22.843 -15.212 804 H HIS 98 H HIS 98 22.723 -16.165 -16.070 805 HA HIS 98 HA HIS 98 23.157 -14.383 -18.300 806 HB2 HIS 98 HB2 HIS 98 24.189 -14.359 -15.438 807 HB3 HIS 98 HB3 HIS 98 24.610 -13.116 -16.610 808 HD1 HIS 98 HD1 HIS 98 22.480 -13.444 -13.886 809 HD2 HIS 98 HD2 HIS 98 21.872 -12.108 -17.779 810 HE1 HIS 98 HE1 HIS 98 20.475 -11.952 -13.782 811 HE2 HIS 98 HE2 HIS 98 20.155 -11.107 -16.122 812 H HIS 99 H HIS 99 25.069 -13.975 -19.418 813 HA HIS 99 HA HIS 99 26.912 -16.161 -19.723 814 HB2 HIS 99 HB2 HIS 99 26.105 -14.636 -21.587 815 HB3 HIS 99 HB3 HIS 99 27.138 -13.370 -20.928 816 HD1 HIS 99 HD1 HIS 99 27.456 -16.909 -22.298 817 HD2 HIS 99 HD2 HIS 99 29.697 -13.428 -21.968 818 HE1 HIS 99 HE1 HIS 99 29.568 -17.350 -23.565 819 HE2 HIS 99 HE2 HIS 99 30.978 -15.308 -23.188 820 H HIS 100 H HIS 100 27.111 -12.921 -18.263 821 HA HIS 100 HA HIS 100 29.765 -13.299 -17.164 822 HB2 HIS 100 HB2 HIS 100 27.575 -11.270 -16.544 823 HB3 HIS 100 HB3 HIS 100 29.145 -11.269 -15.746 824 HD1 HIS 100 HD1 HIS 100 27.492 -10.479 -19.014 825 HD2 HIS 100 HD2 HIS 100 31.267 -10.273 -17.285 826 HE1 HIS 100 HE1 HIS 100 28.851 -9.024 -20.535 827 HE2 HIS 100 HE2 HIS 100 31.070 -8.778 -19.379 828 H HIS 101 H HIS 101 30.285 -14.207 -15.211 829 HA HIS 101 HA HIS 101 28.119 -15.084 -13.369 830 HB2 HIS 101 HB2 HIS 101 30.694 -16.591 -14.037 831 HB3 HIS 101 HB3 HIS 101 29.461 -17.122 -12.898 832 HD1 HIS 101 HD1 HIS 101 30.245 -16.986 -16.526 833 HD2 HIS 101 HD2 HIS 101 27.047 -18.074 -14.115 834 HE1 HIS 101 HE1 HIS 101 28.667 -18.214 -18.023 835 HE2 HIS 101 HE2 HIS 101 26.649 -18.616 -16.602 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -8.866 -20.759 7.499 2 H2 MET 1 H2 MET 1 -8.293 -20.023 8.903 3 H3 MET 1 H3 MET 1 -7.205 -20.762 7.841 4 HA MET 1 HA MET 1 -8.851 -18.357 7.277 5 HB2 MET 1 HB2 MET 1 -5.838 -18.690 7.636 6 HB3 MET 1 HB3 MET 1 -6.629 -17.196 7.148 7 HG2 MET 1 HG2 MET 1 -7.141 -18.576 9.787 8 HG3 MET 1 HG3 MET 1 -5.953 -17.291 9.562 9 HE1 MET 1 HE1 MET 1 -6.550 -14.761 9.106 10 HE2 MET 1 HE2 MET 1 -8.180 -14.185 8.759 11 HE3 MET 1 HE3 MET 1 -7.352 -15.226 7.603 12 H GLN 2 H GLN 2 -8.093 -17.259 5.235 13 HA GLN 2 HA GLN 2 -7.962 -18.947 2.938 14 HB2 GLN 2 HB2 GLN 2 -9.019 -16.724 2.892 15 HB3 GLN 2 HB3 GLN 2 -7.491 -15.950 3.285 16 HG2 GLN 2 HG2 GLN 2 -6.605 -16.834 1.066 17 HG3 GLN 2 HG3 GLN 2 -8.256 -17.324 0.689 18 HE21 GLN 2 HE21 GLN 2 -8.363 -15.911 -1.086 19 HE22 GLN 2 HE22 GLN 2 -8.476 -14.201 -0.905 20 H GLU 3 H GLU 3 -6.126 -20.280 3.332 21 HA GLU 3 HA GLU 3 -4.026 -21.051 3.163 22 HB2 GLU 3 HB2 GLU 3 -4.200 -20.118 0.888 23 HB3 GLU 3 HB3 GLU 3 -3.594 -18.569 1.458 24 HG2 GLU 3 HG2 GLU 3 -1.457 -19.818 2.132 25 HG3 GLU 3 HG3 GLU 3 -2.076 -21.183 1.202 26 H GLU 4 H GLU 4 -2.981 -17.633 3.106 27 HA GLU 4 HA GLU 4 -1.847 -17.791 5.815 28 HB2 GLU 4 HB2 GLU 4 -0.126 -18.555 4.098 29 HB3 GLU 4 HB3 GLU 4 -0.181 -16.937 3.406 30 HG2 GLU 4 HG2 GLU 4 0.633 -15.986 5.522 31 HG3 GLU 4 HG3 GLU 4 0.618 -17.580 6.267 32 H ARG 5 H ARG 5 -4.118 -16.460 4.857 33 HA ARG 5 HA ARG 5 -3.962 -13.835 3.993 34 HB2 ARG 5 HB2 ARG 5 -6.051 -15.165 4.195 35 HB3 ARG 5 HB3 ARG 5 -5.980 -15.025 5.947 36 HG2 ARG 5 HG2 ARG 5 -6.309 -12.577 5.767 37 HG3 ARG 5 HG3 ARG 5 -6.368 -12.716 4.006 38 HD2 ARG 5 HD2 ARG 5 -8.370 -14.152 4.188 39 HD3 ARG 5 HD3 ARG 5 -8.299 -14.030 5.945 40 HE ARG 5 HE ARG 5 -8.952 -11.761 5.799 41 HH11 ARG 5 HH11 ARG 5 -8.979 -13.249 2.670 42 HH12 ARG 5 HH12 ARG 5 -10.174 -12.159 2.065 43 HH21 ARG 5 HH21 ARG 5 -10.462 -10.413 4.973 44 HH22 ARG 5 HH22 ARG 5 -10.968 -10.559 3.331 45 H LYS 6 H LYS 6 -3.471 -15.043 7.276 46 HA LYS 6 HA LYS 6 -3.483 -12.655 8.748 47 HB2 LYS 6 HB2 LYS 6 -2.215 -15.367 9.141 48 HB3 LYS 6 HB3 LYS 6 -1.684 -14.064 10.193 49 HG2 LYS 6 HG2 LYS 6 -4.586 -14.901 9.887 50 HG3 LYS 6 HG3 LYS 6 -3.504 -15.501 11.148 51 HD2 LYS 6 HD2 LYS 6 -3.151 -13.132 11.909 52 HD3 LYS 6 HD3 LYS 6 -4.346 -12.604 10.723 53 HE2 LYS 6 HE2 LYS 6 -6.094 -13.863 11.867 54 HE3 LYS 6 HE3 LYS 6 -4.911 -14.554 12.980 55 HZ1 LYS 6 HZ1 LYS 6 -6.096 -12.727 14.004 56 HZ2 LYS 6 HZ2 LYS 6 -5.617 -11.675 12.771 57 HZ3 LYS 6 HZ3 LYS 6 -4.462 -12.327 13.816 58 H LYS 7 H LYS 7 -0.595 -14.325 7.337 59 HA LYS 7 HA LYS 7 1.201 -12.248 8.115 60 HB2 LYS 7 HB2 LYS 7 1.585 -14.475 6.089 61 HB3 LYS 7 HB3 LYS 7 2.873 -13.424 6.671 62 HG2 LYS 7 HG2 LYS 7 1.271 -15.406 8.321 63 HG3 LYS 7 HG3 LYS 7 2.966 -15.543 7.845 64 HD2 LYS 7 HD2 LYS 7 3.481 -13.506 9.200 65 HD3 LYS 7 HD3 LYS 7 1.795 -13.447 9.723 66 HE2 LYS 7 HE2 LYS 7 2.082 -15.708 10.752 67 HE3 LYS 7 HE3 LYS 7 3.785 -15.667 10.295 68 HZ1 LYS 7 HZ1 LYS 7 2.441 -13.745 12.117 69 HZ2 LYS 7 HZ2 LYS 7 4.073 -13.713 11.681 70 HZ3 LYS 7 HZ3 LYS 7 3.468 -15.004 12.590 71 H LEU 8 H LEU 8 -0.645 -12.778 5.170 72 HA LEU 8 HA LEU 8 0.383 -10.777 3.509 73 HB2 LEU 8 HB2 LEU 8 -2.342 -12.021 3.852 74 HB3 LEU 8 HB3 LEU 8 -2.226 -10.576 2.864 75 HG LEU 8 HG LEU 8 -0.710 -11.691 1.299 76 HD11 LEU 8 HD11 LEU 8 0.529 -13.143 2.837 77 HD12 LEU 8 HD12 LEU 8 -0.107 -14.046 1.468 78 HD13 LEU 8 HD13 LEU 8 -0.898 -14.165 3.040 79 HD21 LEU 8 HD21 LEU 8 -3.153 -13.408 1.870 80 HD22 LEU 8 HD22 LEU 8 -2.254 -13.355 0.351 81 HD23 LEU 8 HD23 LEU 8 -3.124 -11.928 0.906 82 H LEU 9 H LEU 9 -2.284 -10.430 5.940 83 HA LEU 9 HA LEU 9 -2.392 -7.570 5.616 84 HB2 LEU 9 HB2 LEU 9 -4.072 -7.566 7.422 85 HB3 LEU 9 HB3 LEU 9 -4.431 -8.707 6.149 86 HG LEU 9 HG LEU 9 -3.396 -10.491 7.800 87 HD11 LEU 9 HD11 LEU 9 -4.174 -8.352 9.803 88 HD12 LEU 9 HD12 LEU 9 -2.551 -8.981 9.512 89 HD13 LEU 9 HD13 LEU 9 -3.790 -10.036 10.183 90 HD21 LEU 9 HD21 LEU 9 -5.715 -10.526 7.057 91 HD22 LEU 9 HD22 LEU 9 -6.151 -9.316 8.266 92 HD23 LEU 9 HD23 LEU 9 -5.612 -10.921 8.771 93 H GLU 10 H GLU 10 -0.572 -9.657 7.766 94 HA GLU 10 HA GLU 10 0.086 -7.831 9.824 95 HB2 GLU 10 HB2 GLU 10 1.602 -10.236 8.727 96 HB3 GLU 10 HB3 GLU 10 2.158 -9.329 10.126 97 HG2 GLU 10 HG2 GLU 10 -0.503 -10.764 9.959 98 HG3 GLU 10 HG3 GLU 10 0.950 -11.438 10.684 99 H LYS 11 H LYS 11 1.854 -8.632 6.779 100 HA LYS 11 HA LYS 11 3.802 -6.541 7.190 101 HB2 LYS 11 HB2 LYS 11 4.283 -8.632 5.816 102 HB3 LYS 11 HB3 LYS 11 3.260 -7.969 4.540 103 HG2 LYS 11 HG2 LYS 11 4.737 -5.956 4.418 104 HG3 LYS 11 HG3 LYS 11 5.772 -6.657 5.665 105 HD2 LYS 11 HD2 LYS 11 6.944 -7.160 3.694 106 HD3 LYS 11 HD3 LYS 11 6.055 -8.654 3.984 107 HE2 LYS 11 HE2 LYS 11 4.462 -8.135 2.273 108 HE3 LYS 11 HE3 LYS 11 5.033 -6.469 2.146 109 HZ1 LYS 11 HZ1 LYS 11 5.876 -7.718 0.320 110 HZ2 LYS 11 HZ2 LYS 11 6.491 -8.920 1.336 111 HZ3 LYS 11 HZ3 LYS 11 7.174 -7.374 1.352 112 H LEU 12 H LEU 12 0.723 -6.806 5.438 113 HA LEU 12 HA LEU 12 1.021 -4.540 3.766 114 HB2 LEU 12 HB2 LEU 12 -0.674 -6.493 3.594 115 HB3 LEU 12 HB3 LEU 12 -1.663 -5.594 4.723 116 HG LEU 12 HG LEU 12 -2.275 -5.394 2.238 117 HD11 LEU 12 HD11 LEU 12 -1.744 -2.777 3.662 118 HD12 LEU 12 HD12 LEU 12 -3.181 -3.787 3.835 119 HD13 LEU 12 HD13 LEU 12 -2.830 -3.017 2.290 120 HD21 LEU 12 HD21 LEU 12 0.009 -5.234 1.337 121 HD22 LEU 12 HD22 LEU 12 0.213 -3.655 2.101 122 HD23 LEU 12 HD23 LEU 12 -0.988 -3.872 0.823 123 H GLU 13 H GLU 13 -0.551 -4.870 6.964 124 HA GLU 13 HA GLU 13 -1.315 -2.193 7.364 125 HB2 GLU 13 HB2 GLU 13 -0.504 -4.350 9.354 126 HB3 GLU 13 HB3 GLU 13 -1.160 -2.795 9.850 127 HG2 GLU 13 HG2 GLU 13 -2.641 -4.729 8.042 128 HG3 GLU 13 HG3 GLU 13 -2.805 -4.716 9.793 129 H LYS 14 H LYS 14 1.816 -3.798 7.974 130 HA LYS 14 HA LYS 14 3.131 -1.495 9.059 131 HB2 LYS 14 HB2 LYS 14 4.001 -4.223 8.192 132 HB3 LYS 14 HB3 LYS 14 5.251 -2.990 8.142 133 HG2 LYS 14 HG2 LYS 14 3.624 -3.775 10.581 134 HG3 LYS 14 HG3 LYS 14 5.310 -4.191 10.267 135 HD2 LYS 14 HD2 LYS 14 4.204 -1.385 10.712 136 HD3 LYS 14 HD3 LYS 14 5.174 -2.314 11.853 137 HE2 LYS 14 HE2 LYS 14 7.101 -2.220 10.340 138 HE3 LYS 14 HE3 LYS 14 6.140 -1.382 9.122 139 HZ1 LYS 14 HZ1 LYS 14 5.914 0.489 10.605 140 HZ2 LYS 14 HZ2 LYS 14 7.550 0.125 10.398 141 HZ3 LYS 14 HZ3 LYS 14 6.764 -0.315 11.824 142 H ILE 15 H ILE 15 2.671 -2.639 5.745 143 HA ILE 15 HA ILE 15 4.435 -0.830 4.461 144 HB ILE 15 HB ILE 15 1.881 -2.165 3.448 145 HG12 ILE 15 HG12 ILE 15 4.824 -2.762 2.846 146 HG13 ILE 15 HG13 ILE 15 3.802 -3.696 3.928 147 HG21 ILE 15 HG21 ILE 15 3.864 -0.545 1.802 148 HG22 ILE 15 HG22 ILE 15 2.195 -0.098 2.155 149 HG23 ILE 15 HG23 ILE 15 2.532 -1.503 1.147 150 HD11 ILE 15 HD11 ILE 15 2.395 -4.347 2.030 151 HD12 ILE 15 HD12 ILE 15 4.082 -4.813 1.807 152 HD13 ILE 15 HD13 ILE 15 3.436 -3.416 0.948 153 H LEU 16 H LEU 16 0.906 -0.622 5.069 154 HA LEU 16 HA LEU 16 0.319 1.949 4.233 155 HB2 LEU 16 HB2 LEU 16 -0.854 0.608 6.705 156 HB3 LEU 16 HB3 LEU 16 -1.603 1.889 5.764 157 HG LEU 16 HG LEU 16 -1.089 -0.936 4.791 158 HD11 LEU 16 HD11 LEU 16 -2.848 -0.901 6.481 159 HD12 LEU 16 HD12 LEU 16 -3.518 -1.252 4.891 160 HD13 LEU 16 HD13 LEU 16 -3.707 0.357 5.589 161 HD21 LEU 16 HD21 LEU 16 -2.521 1.329 3.392 162 HD22 LEU 16 HD22 LEU 16 -2.451 -0.343 2.833 163 HD23 LEU 16 HD23 LEU 16 -0.975 0.615 2.927 164 H ASP 17 H ASP 17 1.563 0.921 7.380 165 HA ASP 17 HA ASP 17 1.490 3.266 8.880 166 HB2 ASP 17 HB2 ASP 17 1.982 1.060 9.827 167 HB3 ASP 17 HB3 ASP 17 3.462 0.939 8.887 168 H GLU 18 H GLU 18 4.147 2.043 6.822 169 HA GLU 18 HA GLU 18 5.816 4.375 7.253 170 HB2 GLU 18 HB2 GLU 18 6.186 1.967 5.444 171 HB3 GLU 18 HB3 GLU 18 7.417 3.182 5.778 172 HG2 GLU 18 HG2 GLU 18 7.392 2.552 8.174 173 HG3 GLU 18 HG3 GLU 18 6.153 1.344 7.837 174 H VAL 19 H VAL 19 3.547 3.354 4.732 175 HA VAL 19 HA VAL 19 4.485 5.108 2.658 176 HB VAL 19 HB VAL 19 1.648 3.971 2.946 177 HG11 VAL 19 HG11 VAL 19 3.041 5.115 0.481 178 HG12 VAL 19 HG12 VAL 19 1.750 5.894 1.394 179 HG13 VAL 19 HG13 VAL 19 1.423 4.401 0.519 180 HG21 VAL 19 HG21 VAL 19 3.940 2.869 1.275 181 HG22 VAL 19 HG22 VAL 19 2.304 2.211 1.390 182 HG23 VAL 19 HG23 VAL 19 3.366 2.181 2.790 183 H THR 20 H THR 20 1.812 5.356 5.054 184 HA THR 20 HA THR 20 0.864 7.936 4.347 185 HB THR 20 HB THR 20 -0.184 8.009 6.622 186 HG1 THR 20 HG1 THR 20 0.177 6.279 8.048 187 HG21 THR 20 HG21 THR 20 -1.622 6.013 6.430 188 HG22 THR 20 HG22 THR 20 -0.492 5.299 5.278 189 HG23 THR 20 HG23 THR 20 -1.374 6.767 4.851 190 H ASP 21 H ASP 21 3.297 6.885 6.711 191 HA ASP 21 HA ASP 21 3.898 9.407 7.858 192 HB2 ASP 21 HB2 ASP 21 4.471 7.229 8.902 193 HB3 ASP 21 HB3 ASP 21 5.644 6.915 7.630 194 H GLY 22 H GLY 22 5.364 7.650 5.122 195 HA2 GLY 22 HA2 GLY 22 7.330 9.704 4.510 196 HA3 GLY 22 HA3 GLY 22 7.002 8.249 3.583 197 H ALA 23 H ALA 23 4.036 9.262 3.741 198 HA ALA 23 HA ALA 23 3.836 10.405 1.167 199 HB1 ALA 23 HB1 ALA 23 1.449 10.615 1.646 200 HB2 ALA 23 HB2 ALA 23 1.757 10.344 3.365 201 HB3 ALA 23 HB3 ALA 23 2.060 9.055 2.201 202 HA PRO 24 HA PRO 24 3.701 14.951 2.104 203 HB2 PRO 24 HB2 PRO 24 2.209 15.019 -0.495 204 HB3 PRO 24 HB3 PRO 24 3.646 15.927 -0.005 205 HG2 PRO 24 HG2 PRO 24 3.823 13.915 -1.778 206 HG3 PRO 24 HG3 PRO 24 5.100 14.186 -0.572 207 HD2 PRO 24 HD2 PRO 24 2.866 12.145 -0.544 208 HD3 PRO 24 HD3 PRO 24 4.588 11.940 -0.134 209 H ASP 25 H ASP 25 1.846 16.518 2.280 210 HA ASP 25 HA ASP 25 -0.247 15.480 3.830 211 HB2 ASP 25 HB2 ASP 25 -1.171 17.799 3.807 212 HB3 ASP 25 HB3 ASP 25 0.559 17.764 4.115 213 H GLU 26 H GLU 26 -0.270 16.397 0.397 214 HA GLU 26 HA GLU 26 -3.107 16.164 -0.027 215 HB2 GLU 26 HB2 GLU 26 -0.871 16.084 -2.100 216 HB3 GLU 26 HB3 GLU 26 -2.574 16.419 -2.411 217 HG2 GLU 26 HG2 GLU 26 -2.371 18.475 -0.998 218 HG3 GLU 26 HG3 GLU 26 -0.649 18.139 -0.838 219 H ALA 27 H ALA 27 -0.333 14.117 -0.924 220 HA ALA 27 HA ALA 27 -1.758 12.002 -2.151 221 HB1 ALA 27 HB1 ALA 27 0.991 11.940 -0.867 222 HB2 ALA 27 HB2 ALA 27 0.641 12.465 -2.515 223 HB3 ALA 27 HB3 ALA 27 0.364 10.784 -2.047 224 H ARG 28 H ARG 28 -0.826 12.602 1.177 225 HA ARG 28 HA ARG 28 -1.193 10.142 2.418 226 HB2 ARG 28 HB2 ARG 28 -0.179 12.072 3.539 227 HB3 ARG 28 HB3 ARG 28 -1.703 12.948 3.484 228 HG2 ARG 28 HG2 ARG 28 -2.698 11.239 5.008 229 HG3 ARG 28 HG3 ARG 28 -1.122 10.451 5.115 230 HD2 ARG 28 HD2 ARG 28 -0.157 12.418 6.168 231 HD3 ARG 28 HD3 ARG 28 -1.649 13.331 5.916 232 HE ARG 28 HE ARG 28 -2.622 11.416 7.385 233 HH11 ARG 28 HH11 ARG 28 0.438 12.944 7.890 234 HH12 ARG 28 HH12 ARG 28 0.347 12.759 9.603 235 HH21 ARG 28 HH21 ARG 28 -2.689 11.178 9.561 236 HH22 ARG 28 HH22 ARG 28 -1.385 11.763 10.533 237 H GLU 29 H GLU 29 -3.626 12.576 1.552 238 HA GLU 29 HA GLU 29 -5.902 11.526 2.820 239 HB2 GLU 29 HB2 GLU 29 -5.723 12.923 0.114 240 HB3 GLU 29 HB3 GLU 29 -7.199 12.705 1.042 241 HG2 GLU 29 HG2 GLU 29 -4.803 14.336 1.926 242 HG3 GLU 29 HG3 GLU 29 -6.281 14.994 1.226 243 H ARG 30 H ARG 30 -4.657 10.830 -0.471 244 HA ARG 30 HA ARG 30 -6.574 8.892 -1.219 245 HB2 ARG 30 HB2 ARG 30 -3.715 9.386 -2.146 246 HB3 ARG 30 HB3 ARG 30 -4.727 8.136 -2.866 247 HG2 ARG 30 HG2 ARG 30 -5.423 11.083 -2.787 248 HG3 ARG 30 HG3 ARG 30 -4.706 10.249 -4.168 249 HD2 ARG 30 HD2 ARG 30 -7.331 9.405 -2.920 250 HD3 ARG 30 HD3 ARG 30 -7.240 10.575 -4.243 251 HE ARG 30 HE ARG 30 -5.975 7.972 -4.664 252 HH11 ARG 30 HH11 ARG 30 -8.788 9.915 -5.253 253 HH12 ARG 30 HH12 ARG 30 -9.285 8.952 -6.597 254 HH21 ARG 30 HH21 ARG 30 -6.626 6.787 -6.360 255 HH22 ARG 30 HH22 ARG 30 -8.070 7.204 -7.222 256 H ILE 31 H ILE 31 -3.546 8.622 0.542 257 HA ILE 31 HA ILE 31 -3.350 5.786 0.319 258 HB ILE 31 HB ILE 31 -1.850 7.695 2.172 259 HG12 ILE 31 HG12 ILE 31 -0.935 6.469 -0.470 260 HG13 ILE 31 HG13 ILE 31 -1.652 8.068 -0.349 261 HG21 ILE 31 HG21 ILE 31 -1.187 4.807 1.428 262 HG22 ILE 31 HG22 ILE 31 -1.737 5.362 3.010 263 HG23 ILE 31 HG23 ILE 31 -0.170 5.880 2.395 264 HD11 ILE 31 HD11 ILE 31 0.786 8.078 -0.512 265 HD12 ILE 31 HD12 ILE 31 0.883 7.240 1.037 266 HD13 ILE 31 HD13 ILE 31 0.182 8.858 0.946 267 H GLU 32 H GLU 32 -4.346 7.970 3.001 268 HA GLU 32 HA GLU 32 -4.640 5.899 4.968 269 HB2 GLU 32 HB2 GLU 32 -5.792 8.722 4.868 270 HB3 GLU 32 HB3 GLU 32 -5.945 7.651 6.260 271 HG2 GLU 32 HG2 GLU 32 -3.461 7.619 6.469 272 HG3 GLU 32 HG3 GLU 32 -3.360 8.765 5.131 273 H LYS 33 H LYS 33 -6.906 7.592 2.831 274 HA LYS 33 HA LYS 33 -9.282 6.401 3.916 275 HB2 LYS 33 HB2 LYS 33 -8.730 8.171 1.514 276 HB3 LYS 33 HB3 LYS 33 -10.329 7.483 1.771 277 HG2 LYS 33 HG2 LYS 33 -10.214 9.790 2.626 278 HG3 LYS 33 HG3 LYS 33 -10.527 8.648 3.929 279 HD2 LYS 33 HD2 LYS 33 -8.112 8.773 4.575 280 HD3 LYS 33 HD3 LYS 33 -7.852 9.966 3.306 281 HE2 LYS 33 HE2 LYS 33 -9.743 10.345 5.649 282 HE3 LYS 33 HE3 LYS 33 -8.087 10.946 5.596 283 HZ1 LYS 33 HZ1 LYS 33 -8.673 12.323 3.723 284 HZ2 LYS 33 HZ2 LYS 33 -9.702 12.637 5.026 285 HZ3 LYS 33 HZ3 LYS 33 -10.253 11.714 3.722 286 H LEU 34 H LEU 34 -7.200 5.655 1.110 287 HA LEU 34 HA LEU 34 -8.800 3.457 0.176 288 HB2 LEU 34 HB2 LEU 34 -7.130 4.545 -1.290 289 HB3 LEU 34 HB3 LEU 34 -5.833 3.974 -0.252 290 HG LEU 34 HG LEU 34 -6.425 1.609 -0.845 291 HD11 LEU 34 HD11 LEU 34 -7.968 1.126 -2.706 292 HD12 LEU 34 HD12 LEU 34 -8.410 2.832 -2.791 293 HD13 LEU 34 HD13 LEU 34 -8.809 1.889 -1.355 294 HD21 LEU 34 HD21 LEU 34 -4.657 2.754 -2.110 295 HD22 LEU 34 HD22 LEU 34 -5.850 3.370 -3.256 296 HD23 LEU 34 HD23 LEU 34 -5.541 1.636 -3.146 297 H ALA 35 H ALA 35 -6.000 3.709 2.366 298 HA ALA 35 HA ALA 35 -5.490 1.017 2.935 299 HB1 ALA 35 HB1 ALA 35 -5.214 3.397 4.806 300 HB2 ALA 35 HB2 ALA 35 -4.009 2.846 3.641 301 HB3 ALA 35 HB3 ALA 35 -4.433 1.824 5.013 302 H LYS 36 H LYS 36 -7.726 3.264 4.475 303 HA LYS 36 HA LYS 36 -8.861 1.655 6.469 304 HB2 LYS 36 HB2 LYS 36 -9.151 4.088 6.340 305 HB3 LYS 36 HB3 LYS 36 -10.036 3.934 4.825 306 HG2 LYS 36 HG2 LYS 36 -11.862 2.762 6.014 307 HG3 LYS 36 HG3 LYS 36 -10.977 2.928 7.535 308 HD2 LYS 36 HD2 LYS 36 -11.130 5.366 7.409 309 HD3 LYS 36 HD3 LYS 36 -11.872 5.271 5.810 310 HE2 LYS 36 HE2 LYS 36 -13.842 4.148 6.801 311 HE3 LYS 36 HE3 LYS 36 -13.098 4.265 8.399 312 HZ1 LYS 36 HZ1 LYS 36 -14.730 6.032 7.932 313 HZ2 LYS 36 HZ2 LYS 36 -13.741 6.602 6.682 314 HZ3 LYS 36 HZ3 LYS 36 -13.189 6.635 8.279 315 H ASP 37 H ASP 37 -9.863 2.211 3.087 316 HA ASP 37 HA ASP 37 -12.126 0.515 3.050 317 HB2 ASP 37 HB2 ASP 37 -11.477 2.369 1.387 318 HB3 ASP 37 HB3 ASP 37 -10.388 1.204 0.644 319 H VAL 38 H VAL 38 -8.683 -0.157 2.501 320 HA VAL 38 HA VAL 38 -8.863 -2.822 1.540 321 HB VAL 38 HB VAL 38 -6.595 -1.563 3.180 322 HG11 VAL 38 HG11 VAL 38 -6.441 -4.013 3.264 323 HG12 VAL 38 HG12 VAL 38 -5.144 -3.363 2.261 324 HG13 VAL 38 HG13 VAL 38 -6.556 -4.109 1.505 325 HG21 VAL 38 HG21 VAL 38 -6.843 -1.859 0.155 326 HG22 VAL 38 HG22 VAL 38 -5.436 -1.229 1.018 327 HG23 VAL 38 HG23 VAL 38 -6.962 -0.352 1.066 328 H LYS 39 H LYS 39 -8.758 -1.468 4.839 329 HA LYS 39 HA LYS 39 -8.487 -3.865 6.317 330 HB2 LYS 39 HB2 LYS 39 -9.840 -1.267 7.145 331 HB3 LYS 39 HB3 LYS 39 -9.316 -2.537 8.249 332 HG2 LYS 39 HG2 LYS 39 -7.000 -2.103 7.794 333 HG3 LYS 39 HG3 LYS 39 -7.402 -1.064 6.428 334 HD2 LYS 39 HD2 LYS 39 -8.516 0.522 8.049 335 HD3 LYS 39 HD3 LYS 39 -7.900 -0.473 9.370 336 HE2 LYS 39 HE2 LYS 39 -6.176 0.918 7.295 337 HE3 LYS 39 HE3 LYS 39 -6.504 1.541 8.912 338 HZ1 LYS 39 HZ1 LYS 39 -5.475 -0.493 9.805 339 HZ2 LYS 39 HZ2 LYS 39 -4.406 0.449 8.904 340 HZ3 LYS 39 HZ3 LYS 39 -5.054 -0.963 8.234 341 H ASP 40 H ASP 40 -11.393 -2.166 5.145 342 HA ASP 40 HA ASP 40 -13.366 -3.805 6.355 343 HB2 ASP 40 HB2 ASP 40 -13.464 -2.215 3.751 344 HB3 ASP 40 HB3 ASP 40 -14.870 -2.950 4.516 345 H GLU 41 H GLU 41 -11.568 -4.141 3.338 346 HA GLU 41 HA GLU 41 -12.882 -6.530 2.413 347 HB2 GLU 41 HB2 GLU 41 -10.240 -5.271 1.570 348 HB3 GLU 41 HB3 GLU 41 -11.097 -6.528 0.684 349 HG2 GLU 41 HG2 GLU 41 -12.201 -3.749 1.225 350 HG3 GLU 41 HG3 GLU 41 -11.405 -4.237 -0.263 351 H LEU 42 H LEU 42 -9.997 -5.853 4.344 352 HA LEU 42 HA LEU 42 -8.972 -8.492 4.589 353 HB2 LEU 42 HB2 LEU 42 -8.791 -6.118 6.490 354 HB3 LEU 42 HB3 LEU 42 -7.927 -7.624 6.744 355 HG LEU 42 HG LEU 42 -7.513 -5.803 4.340 356 HD11 LEU 42 HD11 LEU 42 -6.739 -4.691 6.389 357 HD12 LEU 42 HD12 LEU 42 -5.381 -5.147 5.364 358 HD13 LEU 42 HD13 LEU 42 -5.760 -6.103 6.800 359 HD21 LEU 42 HD21 LEU 42 -5.528 -7.172 3.882 360 HD22 LEU 42 HD22 LEU 42 -6.984 -8.163 3.862 361 HD23 LEU 42 HD23 LEU 42 -5.907 -8.212 5.257 362 H GLU 43 H GLU 43 -11.625 -6.811 6.134 363 HA GLU 43 HA GLU 43 -12.183 -8.819 8.137 364 HB2 GLU 43 HB2 GLU 43 -12.846 -6.459 8.470 365 HB3 GLU 43 HB3 GLU 43 -13.893 -6.529 7.056 366 HG2 GLU 43 HG2 GLU 43 -15.298 -8.234 8.196 367 HG3 GLU 43 HG3 GLU 43 -14.271 -8.113 9.620 368 H GLU 44 H GLU 44 -13.908 -7.836 5.106 369 HA GLU 44 HA GLU 44 -15.762 -10.062 5.360 370 HB2 GLU 44 HB2 GLU 44 -15.607 -7.830 3.305 371 HB3 GLU 44 HB3 GLU 44 -16.870 -9.055 3.348 372 HG2 GLU 44 HG2 GLU 44 -17.502 -8.252 5.636 373 HG3 GLU 44 HG3 GLU 44 -16.310 -6.962 5.468 374 H GLY 45 H GLY 45 -14.533 -9.090 2.146 375 HA2 GLY 45 HA2 GLY 45 -14.327 -11.974 1.501 376 HA3 GLY 45 HA3 GLY 45 -14.707 -10.684 0.374 377 H ASP 46 H ASP 46 -13.119 -10.647 -1.120 378 HA ASP 46 HA ASP 46 -10.429 -11.483 -0.560 379 HB2 ASP 46 HB2 ASP 46 -11.498 -11.973 -2.744 380 HB3 ASP 46 HB3 ASP 46 -11.582 -10.244 -3.096 381 H ALA 47 H ALA 47 -8.649 -10.309 -0.265 382 HA ALA 47 HA ALA 47 -8.757 -7.329 -0.343 383 HB1 ALA 47 HB1 ALA 47 -7.117 -9.112 1.498 384 HB2 ALA 47 HB2 ALA 47 -8.578 -8.229 1.947 385 HB3 ALA 47 HB3 ALA 47 -7.125 -7.344 1.484 386 H LYS 48 H LYS 48 -7.376 -10.079 -1.833 387 HA LYS 48 HA LYS 48 -4.726 -9.265 -2.391 388 HB2 LYS 48 HB2 LYS 48 -5.482 -11.548 -2.909 389 HB3 LYS 48 HB3 LYS 48 -6.637 -10.931 -4.083 390 HG2 LYS 48 HG2 LYS 48 -4.619 -10.023 -5.390 391 HG3 LYS 48 HG3 LYS 48 -3.604 -10.968 -4.300 392 HD2 LYS 48 HD2 LYS 48 -4.012 -12.162 -6.420 393 HD3 LYS 48 HD3 LYS 48 -4.689 -13.041 -5.046 394 HE2 LYS 48 HE2 LYS 48 -6.221 -13.046 -6.990 395 HE3 LYS 48 HE3 LYS 48 -6.936 -12.227 -5.604 396 HZ1 LYS 48 HZ1 LYS 48 -5.706 -10.932 -7.971 397 HZ2 LYS 48 HZ2 LYS 48 -6.300 -10.101 -6.631 398 HZ3 LYS 48 HZ3 LYS 48 -7.353 -10.996 -7.605 399 H ASN 49 H ASN 49 -7.761 -8.750 -4.187 400 HA ASN 49 HA ASN 49 -6.899 -7.210 -6.338 401 HB2 ASN 49 HB2 ASN 49 -9.188 -8.114 -6.116 402 HB3 ASN 49 HB3 ASN 49 -9.519 -7.003 -4.791 403 HD21 ASN 49 HD21 ASN 49 -11.236 -5.977 -5.834 404 HD22 ASN 49 HD22 ASN 49 -11.031 -4.969 -7.223 405 H MET 50 H MET 50 -7.570 -6.213 -3.024 406 HA MET 50 HA MET 50 -7.445 -3.382 -3.415 407 HB2 MET 50 HB2 MET 50 -7.122 -5.052 -0.889 408 HB3 MET 50 HB3 MET 50 -7.332 -3.302 -0.919 409 HG2 MET 50 HG2 MET 50 -9.332 -5.328 -1.933 410 HG3 MET 50 HG3 MET 50 -9.421 -4.463 -0.398 411 HE1 MET 50 HE1 MET 50 -8.378 -1.523 -1.291 412 HE2 MET 50 HE2 MET 50 -9.730 -1.841 -0.201 413 HE3 MET 50 HE3 MET 50 -9.945 -0.758 -1.576 414 H ILE 51 H ILE 51 -5.058 -5.834 -2.525 415 HA ILE 51 HA ILE 51 -2.920 -3.998 -1.923 416 HB ILE 51 HB ILE 51 -2.754 -6.972 -2.607 417 HG12 ILE 51 HG12 ILE 51 -2.901 -5.718 0.186 418 HG13 ILE 51 HG13 ILE 51 -4.294 -6.392 -0.649 419 HG21 ILE 51 HG21 ILE 51 -0.611 -6.957 -1.357 420 HG22 ILE 51 HG22 ILE 51 -0.765 -5.217 -1.099 421 HG23 ILE 51 HG23 ILE 51 -0.554 -5.849 -2.731 422 HD11 ILE 51 HD11 ILE 51 -3.433 -7.960 0.948 423 HD12 ILE 51 HD12 ILE 51 -1.835 -7.894 0.210 424 HD13 ILE 51 HD13 ILE 51 -3.193 -8.584 -0.684 425 H GLU 52 H GLU 52 -3.890 -5.901 -4.778 426 HA GLU 52 HA GLU 52 -1.867 -5.181 -6.601 427 HB2 GLU 52 HB2 GLU 52 -4.811 -5.801 -7.156 428 HB3 GLU 52 HB3 GLU 52 -3.558 -5.719 -8.386 429 HG2 GLU 52 HG2 GLU 52 -2.422 -7.675 -7.390 430 HG3 GLU 52 HG3 GLU 52 -3.625 -7.738 -6.109 431 H LYS 53 H LYS 53 -4.953 -3.632 -5.786 432 HA LYS 53 HA LYS 53 -4.567 -1.382 -7.568 433 HB2 LYS 53 HB2 LYS 53 -6.736 -2.108 -5.593 434 HB3 LYS 53 HB3 LYS 53 -6.687 -0.493 -6.292 435 HG2 LYS 53 HG2 LYS 53 -6.892 -3.089 -7.866 436 HG3 LYS 53 HG3 LYS 53 -8.217 -1.963 -7.544 437 HD2 LYS 53 HD2 LYS 53 -7.111 -0.211 -8.846 438 HD3 LYS 53 HD3 LYS 53 -5.687 -1.224 -9.077 439 HE2 LYS 53 HE2 LYS 53 -7.047 -2.809 -10.409 440 HE3 LYS 53 HE3 LYS 53 -8.457 -1.766 -10.191 441 HZ1 LYS 53 HZ1 LYS 53 -7.345 -0.016 -11.377 442 HZ2 LYS 53 HZ2 LYS 53 -7.319 -1.417 -12.330 443 HZ3 LYS 53 HZ3 LYS 53 -5.924 -0.926 -11.500 444 H PHE 54 H PHE 54 -3.711 -2.008 -4.269 445 HA PHE 54 HA PHE 54 -3.307 0.738 -3.531 446 HB2 PHE 54 HB2 PHE 54 -3.583 -1.104 -1.835 447 HB3 PHE 54 HB3 PHE 54 -1.998 -1.723 -2.296 448 HD1 PHE 54 HD2 PHE 54 -3.731 1.281 -0.904 449 HD2 PHE 54 HD1 PHE 54 -0.013 -0.783 -1.339 450 HE1 PHE 54 HE2 PHE 54 -2.659 2.894 0.598 451 HE2 PHE 54 HE1 PHE 54 1.062 0.839 0.131 452 HZ PHE 54 HZ PHE 54 -0.249 2.687 1.116 453 H ARG 55 H ARG 55 -1.250 -1.796 -4.963 454 HA ARG 55 HA ARG 55 1.131 -0.243 -5.169 455 HB2 ARG 55 HB2 ARG 55 1.077 -2.724 -5.433 456 HB3 ARG 55 HB3 ARG 55 0.179 -2.568 -6.928 457 HG2 ARG 55 HG2 ARG 55 2.890 -1.251 -6.718 458 HG3 ARG 55 HG3 ARG 55 2.810 -2.998 -6.925 459 HD2 ARG 55 HD2 ARG 55 1.604 -2.740 -9.038 460 HD3 ARG 55 HD3 ARG 55 1.495 -0.998 -8.799 461 HE ARG 55 HE ARG 55 3.644 -0.762 -9.550 462 HH11 ARG 55 HH11 ARG 55 3.122 -4.146 -8.995 463 HH12 ARG 55 HH12 ARG 55 4.612 -4.592 -9.747 464 HH21 ARG 55 HH21 ARG 55 5.501 -1.383 -10.552 465 HH22 ARG 55 HH22 ARG 55 5.934 -3.063 -10.608 466 H ASP 56 H ASP 56 -1.628 -0.791 -7.354 467 HA ASP 56 HA ASP 56 -0.957 0.688 -9.614 468 HB2 ASP 56 HB2 ASP 56 -2.985 -0.831 -9.177 469 HB3 ASP 56 HB3 ASP 56 -3.738 0.522 -8.355 470 H GLU 57 H GLU 57 -2.526 1.760 -6.616 471 HA GLU 57 HA GLU 57 -2.852 4.515 -7.196 472 HB2 GLU 57 HB2 GLU 57 -4.079 3.231 -5.415 473 HB3 GLU 57 HB3 GLU 57 -2.582 3.098 -4.504 474 HG2 GLU 57 HG2 GLU 57 -3.763 4.828 -3.441 475 HG3 GLU 57 HG3 GLU 57 -2.569 5.658 -4.426 476 H MET 58 H MET 58 -0.373 2.774 -5.266 477 HA MET 58 HA MET 58 1.127 5.046 -4.518 478 HB2 MET 58 HB2 MET 58 1.647 2.087 -4.374 479 HB3 MET 58 HB3 MET 58 2.994 3.181 -4.109 480 HG2 MET 58 HG2 MET 58 1.358 4.307 -2.374 481 HG3 MET 58 HG3 MET 58 0.567 2.727 -2.419 482 HE1 MET 58 HE1 MET 58 5.047 3.242 -1.351 483 HE2 MET 58 HE2 MET 58 3.996 4.635 -1.609 484 HE3 MET 58 HE3 MET 58 4.370 3.553 -2.953 485 H GLU 59 H GLU 59 1.389 3.022 -7.394 486 HA GLU 59 HA GLU 59 4.067 3.704 -8.060 487 HB2 GLU 59 HB2 GLU 59 2.853 1.723 -8.990 488 HB3 GLU 59 HB3 GLU 59 1.858 2.807 -9.953 489 HG2 GLU 59 HG2 GLU 59 3.803 3.538 -11.237 490 HG3 GLU 59 HG3 GLU 59 4.882 2.606 -10.198 491 H GLN 60 H GLN 60 0.936 5.163 -8.893 492 HA GLN 60 HA GLN 60 1.935 7.292 -10.517 493 HB2 GLN 60 HB2 GLN 60 -0.414 6.758 -10.659 494 HB3 GLN 60 HB3 GLN 60 -0.646 6.958 -8.926 495 HG2 GLN 60 HG2 GLN 60 -1.610 8.832 -10.225 496 HG3 GLN 60 HG3 GLN 60 -0.359 9.375 -9.110 497 HE21 GLN 60 HE21 GLN 60 0.239 11.208 -10.171 498 HE22 GLN 60 HE22 GLN 60 0.916 11.249 -11.757 499 H MET 61 H MET 61 1.075 7.156 -7.020 500 HA MET 61 HA MET 61 1.658 9.910 -6.501 501 HB2 MET 61 HB2 MET 61 1.398 7.595 -4.558 502 HB3 MET 61 HB3 MET 61 1.408 9.297 -4.109 503 HG2 MET 61 HG2 MET 61 -0.678 9.645 -5.383 504 HG3 MET 61 HG3 MET 61 -0.688 7.935 -5.826 505 HE1 MET 61 HE1 MET 61 0.469 6.743 -2.943 506 HE2 MET 61 HE2 MET 61 -0.721 5.987 -4.001 507 HE3 MET 61 HE3 MET 61 -1.093 6.241 -2.298 508 H TYR 62 H TYR 62 3.626 7.074 -6.581 509 HA TYR 62 HA TYR 62 5.941 8.020 -5.229 510 HB2 TYR 62 HB2 TYR 62 5.800 5.650 -5.605 511 HB3 TYR 62 HB3 TYR 62 5.466 5.857 -7.322 512 HD1 TYR 62 HD1 TYR 62 8.176 6.611 -4.816 513 HD2 TYR 62 HD2 TYR 62 7.237 5.486 -8.829 514 HE1 TYR 62 HE1 TYR 62 10.553 6.443 -5.326 515 HE2 TYR 62 HE2 TYR 62 9.627 5.315 -9.333 516 HH TYR 62 HH TYR 62 12.020 5.362 -6.942 517 H LYS 63 H LYS 63 4.824 8.228 -8.580 518 HA LYS 63 HA LYS 63 7.096 9.577 -9.675 519 HB2 LYS 63 HB2 LYS 63 4.196 9.625 -10.601 520 HB3 LYS 63 HB3 LYS 63 5.576 10.167 -11.558 521 HG2 LYS 63 HG2 LYS 63 6.465 7.910 -11.664 522 HG3 LYS 63 HG3 LYS 63 5.232 7.326 -10.543 523 HD2 LYS 63 HD2 LYS 63 3.473 7.853 -12.218 524 HD3 LYS 63 HD3 LYS 63 4.719 8.411 -13.339 525 HE2 LYS 63 HE2 LYS 63 5.700 6.141 -13.384 526 HE3 LYS 63 HE3 LYS 63 4.472 5.586 -12.245 527 HZ1 LYS 63 HZ1 LYS 63 3.953 5.015 -14.545 528 HZ2 LYS 63 HZ2 LYS 63 3.904 6.651 -14.959 529 HZ3 LYS 63 HZ3 LYS 63 2.774 6.018 -13.872 530 H ASP 64 H ASP 64 4.212 10.711 -7.987 531 HA ASP 64 HA ASP 64 4.723 13.525 -8.292 532 HB2 ASP 64 HB2 ASP 64 2.969 12.018 -6.305 533 HB3 ASP 64 HB3 ASP 64 2.996 13.771 -6.478 534 H ALA 65 H ALA 65 5.596 11.086 -5.864 535 HA ALA 65 HA ALA 65 7.367 13.019 -4.490 536 HB1 ALA 65 HB1 ALA 65 6.692 12.144 -2.292 537 HB2 ALA 65 HB2 ALA 65 5.540 11.050 -3.065 538 HB3 ALA 65 HB3 ALA 65 5.296 12.794 -3.159 539 HA PRO 66 HA PRO 66 9.827 9.116 -5.279 540 HB2 PRO 66 HB2 PRO 66 11.823 10.648 -6.721 541 HB3 PRO 66 HB3 PRO 66 10.681 9.480 -7.385 542 HG2 PRO 66 HG2 PRO 66 10.612 12.209 -7.922 543 HG3 PRO 66 HG3 PRO 66 9.220 11.120 -8.086 544 HD2 PRO 66 HD2 PRO 66 9.928 12.967 -5.806 545 HD3 PRO 66 HD3 PRO 66 8.345 12.665 -6.562 546 H ASN 67 H ASN 67 9.873 9.766 -2.875 547 HA ASN 67 HA ASN 67 12.220 11.334 -2.022 548 HB2 ASN 67 HB2 ASN 67 11.054 11.319 0.226 549 HB3 ASN 67 HB3 ASN 67 10.150 12.090 -1.071 550 HD21 ASN 67 HD21 ASN 67 8.132 11.809 -0.163 551 HD22 ASN 67 HD22 ASN 67 7.397 10.267 0.084 552 H ALA 68 H ALA 68 12.204 8.369 -2.918 553 HA ALA 68 HA ALA 68 13.437 6.512 -2.574 554 HB1 ALA 68 HB1 ALA 68 15.190 6.384 -0.873 555 HB2 ALA 68 HB2 ALA 68 14.528 7.803 -0.058 556 HB3 ALA 68 HB3 ALA 68 15.218 7.960 -1.672 557 H VAL 69 H VAL 69 11.942 7.582 0.513 558 HA VAL 69 HA VAL 69 11.393 5.134 1.734 559 HB VAL 69 HB VAL 69 9.597 7.614 1.785 560 HG11 VAL 69 HG11 VAL 69 9.849 5.370 3.824 561 HG12 VAL 69 HG12 VAL 69 8.488 5.624 2.732 562 HG13 VAL 69 HG13 VAL 69 8.837 6.808 3.992 563 HG21 VAL 69 HG21 VAL 69 10.853 8.320 3.801 564 HG22 VAL 69 HG22 VAL 69 11.905 8.229 2.388 565 HG23 VAL 69 HG23 VAL 69 11.950 6.950 3.602 566 H MET 70 H MET 70 9.465 6.978 -0.587 567 HA MET 70 HA MET 70 7.164 5.385 -0.690 568 HB2 MET 70 HB2 MET 70 7.625 7.796 -1.602 569 HB3 MET 70 HB3 MET 70 8.174 6.992 -3.066 570 HG2 MET 70 HG2 MET 70 5.901 7.642 -3.399 571 HG3 MET 70 HG3 MET 70 5.905 5.882 -3.194 572 HE1 MET 70 HE1 MET 70 3.167 6.317 -2.840 573 HE2 MET 70 HE2 MET 70 3.390 8.067 -2.848 574 HE3 MET 70 HE3 MET 70 2.531 7.293 -1.515 575 H GLU 71 H GLU 71 10.242 5.102 -2.438 576 HA GLU 71 HA GLU 71 9.422 3.062 -4.292 577 HB2 GLU 71 HB2 GLU 71 11.395 4.604 -4.630 578 HB3 GLU 71 HB3 GLU 71 12.247 3.735 -3.358 579 HG2 GLU 71 HG2 GLU 71 12.081 1.642 -4.729 580 HG3 GLU 71 HG3 GLU 71 11.318 2.574 -6.013 581 H GLN 72 H GLN 72 10.982 3.051 -1.096 582 HA GLN 72 HA GLN 72 11.700 0.375 -0.784 583 HB2 GLN 72 HB2 GLN 72 12.308 2.236 0.761 584 HB3 GLN 72 HB3 GLN 72 10.658 2.313 1.342 585 HG2 GLN 72 HG2 GLN 72 12.235 -0.245 1.659 586 HG3 GLN 72 HG3 GLN 72 12.533 1.093 2.748 587 HE21 GLN 72 HE21 GLN 72 10.849 1.712 4.207 588 HE22 GLN 72 HE22 GLN 72 9.556 0.638 4.598 589 H LEU 73 H LEU 73 8.630 1.942 0.136 590 HA LEU 73 HA LEU 73 7.321 -0.495 0.873 591 HB2 LEU 73 HB2 LEU 73 6.257 2.307 0.415 592 HB3 LEU 73 HB3 LEU 73 5.218 0.966 0.861 593 HG LEU 73 HG LEU 73 5.629 2.138 2.876 594 HD11 LEU 73 HD11 LEU 73 7.514 -0.230 2.911 595 HD12 LEU 73 HD12 LEU 73 5.765 -0.283 3.138 596 HD13 LEU 73 HD13 LEU 73 6.778 0.546 4.318 597 HD21 LEU 73 HD21 LEU 73 7.519 3.519 2.177 598 HD22 LEU 73 HD22 LEU 73 8.602 2.129 2.292 599 HD23 LEU 73 HD23 LEU 73 7.827 2.770 3.742 600 H LEU 74 H LEU 74 7.351 1.462 -2.113 601 HA LEU 74 HA LEU 74 5.193 0.339 -3.493 602 HB2 LEU 74 HB2 LEU 74 6.466 2.343 -4.258 603 HB3 LEU 74 HB3 LEU 74 7.833 1.317 -4.659 604 HG LEU 74 HG LEU 74 6.479 0.200 -6.420 605 HD11 LEU 74 HD11 LEU 74 4.240 0.437 -5.472 606 HD12 LEU 74 HD12 LEU 74 4.292 1.071 -7.114 607 HD13 LEU 74 HD13 LEU 74 4.292 2.182 -5.741 608 HD21 LEU 74 HD21 LEU 74 6.536 3.218 -6.718 609 HD22 LEU 74 HD22 LEU 74 6.413 2.051 -8.036 610 HD23 LEU 74 HD23 LEU 74 7.872 2.114 -7.054 611 H GLU 75 H GLU 75 8.589 -0.763 -3.387 612 HA GLU 75 HA GLU 75 8.259 -3.055 -5.038 613 HB2 GLU 75 HB2 GLU 75 10.488 -2.121 -4.629 614 HB3 GLU 75 HB3 GLU 75 10.363 -2.477 -2.909 615 HG2 GLU 75 HG2 GLU 75 10.336 -4.890 -3.380 616 HG3 GLU 75 HG3 GLU 75 10.373 -4.571 -5.111 617 H GLU 76 H GLU 76 8.093 -2.621 -1.475 618 HA GLU 76 HA GLU 76 7.834 -5.309 -0.712 619 HB2 GLU 76 HB2 GLU 76 6.869 -2.755 0.607 620 HB3 GLU 76 HB3 GLU 76 6.598 -4.324 1.355 621 HG2 GLU 76 HG2 GLU 76 9.285 -3.084 0.710 622 HG3 GLU 76 HG3 GLU 76 8.563 -3.257 2.309 623 H ILE 77 H ILE 77 5.346 -3.098 -1.911 624 HA ILE 77 HA ILE 77 3.080 -4.755 -1.367 625 HB ILE 77 HB ILE 77 3.291 -2.821 -3.725 626 HG12 ILE 77 HG12 ILE 77 2.344 -2.050 -0.922 627 HG13 ILE 77 HG13 ILE 77 3.980 -1.756 -1.494 628 HG21 ILE 77 HG21 ILE 77 0.893 -3.758 -2.075 629 HG22 ILE 77 HG22 ILE 77 1.294 -4.279 -3.713 630 HG23 ILE 77 HG23 ILE 77 0.834 -2.605 -3.412 631 HD11 ILE 77 HD11 ILE 77 3.131 -0.334 -3.270 632 HD12 ILE 77 HD12 ILE 77 2.595 0.216 -1.683 633 HD13 ILE 77 HD13 ILE 77 1.476 -0.646 -2.737 634 H GLU 78 H GLU 78 5.135 -4.327 -4.277 635 HA GLU 78 HA GLU 78 3.839 -6.180 -5.977 636 HB2 GLU 78 HB2 GLU 78 5.359 -4.426 -6.814 637 HB3 GLU 78 HB3 GLU 78 6.723 -5.197 -6.012 638 HG2 GLU 78 HG2 GLU 78 6.469 -7.177 -7.485 639 HG3 GLU 78 HG3 GLU 78 5.108 -6.402 -8.290 640 H LYS 79 H LYS 79 6.520 -6.587 -3.689 641 HA LYS 79 HA LYS 79 7.122 -9.306 -4.175 642 HB2 LYS 79 HB2 LYS 79 7.423 -7.673 -1.612 643 HB3 LYS 79 HB3 LYS 79 8.090 -9.287 -1.831 644 HG2 LYS 79 HG2 LYS 79 8.864 -6.790 -3.368 645 HG3 LYS 79 HG3 LYS 79 9.833 -7.610 -2.142 646 HD2 LYS 79 HD2 LYS 79 10.006 -9.599 -3.627 647 HD3 LYS 79 HD3 LYS 79 9.030 -8.775 -4.844 648 HE2 LYS 79 HE2 LYS 79 11.360 -8.627 -5.480 649 HE3 LYS 79 HE3 LYS 79 10.803 -7.019 -5.019 650 HZ1 LYS 79 HZ1 LYS 79 12.935 -7.383 -4.087 651 HZ2 LYS 79 HZ2 LYS 79 12.482 -8.869 -3.431 652 HZ3 LYS 79 HZ3 LYS 79 11.828 -7.441 -2.809 653 H LEU 80 H LEU 80 4.820 -7.733 -1.952 654 HA LEU 80 HA LEU 80 3.818 -10.078 -0.702 655 HB2 LEU 80 HB2 LEU 80 3.556 -7.557 -0.041 656 HB3 LEU 80 HB3 LEU 80 2.165 -7.555 -1.102 657 HG LEU 80 HG LEU 80 2.410 -9.456 1.276 658 HD11 LEU 80 HD11 LEU 80 1.062 -6.738 1.258 659 HD12 LEU 80 HD12 LEU 80 2.532 -7.168 2.134 660 HD13 LEU 80 HD13 LEU 80 1.000 -7.918 2.572 661 HD21 LEU 80 HD21 LEU 80 0.730 -10.147 -0.375 662 HD22 LEU 80 HD22 LEU 80 -0.041 -8.563 -0.285 663 HD23 LEU 80 HD23 LEU 80 -0.042 -9.628 1.124 664 H LEU 81 H LEU 81 2.936 -8.412 -3.708 665 HA LEU 81 HA LEU 81 0.512 -9.724 -4.312 666 HB2 LEU 81 HB2 LEU 81 2.581 -8.392 -6.094 667 HB3 LEU 81 HB3 LEU 81 1.056 -9.010 -6.714 668 HG LEU 81 HG LEU 81 1.381 -6.785 -4.672 669 HD11 LEU 81 HD11 LEU 81 0.437 -5.314 -6.396 670 HD12 LEU 81 HD12 LEU 81 0.404 -6.658 -7.539 671 HD13 LEU 81 HD13 LEU 81 1.946 -6.049 -6.936 672 HD21 LEU 81 HD21 LEU 81 -1.072 -6.538 -4.818 673 HD22 LEU 81 HD22 LEU 81 -0.599 -8.089 -4.135 674 HD23 LEU 81 HD23 LEU 81 -1.155 -7.995 -5.809 675 H LYS 82 H LYS 82 3.835 -10.438 -5.416 676 HA LYS 82 HA LYS 82 3.190 -12.712 -6.986 677 HB2 LYS 82 HB2 LYS 82 5.314 -11.432 -7.212 678 HB3 LYS 82 HB3 LYS 82 5.838 -12.020 -5.634 679 HG2 LYS 82 HG2 LYS 82 5.818 -14.347 -6.503 680 HG3 LYS 82 HG3 LYS 82 5.312 -13.748 -8.087 681 HD2 LYS 82 HD2 LYS 82 7.433 -12.454 -8.254 682 HD3 LYS 82 HD3 LYS 82 7.933 -13.091 -6.683 683 HE2 LYS 82 HE2 LYS 82 7.885 -15.389 -7.608 684 HE3 LYS 82 HE3 LYS 82 7.398 -14.744 -9.177 685 HZ1 LYS 82 HZ1 LYS 82 9.958 -14.195 -7.779 686 HZ2 LYS 82 HZ2 LYS 82 9.491 -13.520 -9.256 687 HZ3 LYS 82 HZ3 LYS 82 9.745 -15.184 -9.132 688 H LYS 83 H LYS 83 4.297 -12.377 -3.622 689 HA LYS 83 HA LYS 83 4.439 -15.140 -2.959 690 HB2 LYS 83 HB2 LYS 83 4.425 -12.570 -1.372 691 HB3 LYS 83 HB3 LYS 83 4.187 -14.081 -0.506 692 HG2 LYS 83 HG2 LYS 83 6.544 -13.351 -0.458 693 HG3 LYS 83 HG3 LYS 83 6.345 -14.919 -1.236 694 HD2 LYS 83 HD2 LYS 83 6.623 -13.896 -3.449 695 HD3 LYS 83 HD3 LYS 83 6.702 -12.289 -2.729 696 HE2 LYS 83 HE2 LYS 83 8.941 -13.120 -3.341 697 HE3 LYS 83 HE3 LYS 83 8.803 -12.877 -1.599 698 HZ1 LYS 83 HZ1 LYS 83 8.478 -15.242 -1.330 699 HZ2 LYS 83 HZ2 LYS 83 9.920 -14.947 -2.163 700 HZ3 LYS 83 HZ3 LYS 83 8.551 -15.477 -3.001 701 H ALA 84 H ALA 84 1.780 -12.812 -2.829 702 HA ALA 84 HA ALA 84 -0.102 -14.517 -1.446 703 HB1 ALA 84 HB1 ALA 84 -1.776 -12.792 -1.982 704 HB2 ALA 84 HB2 ALA 84 -0.631 -11.995 -3.068 705 HB3 ALA 84 HB3 ALA 84 -0.309 -12.055 -1.335 706 H GLY 85 H GLY 85 0.845 -14.028 -4.764 707 HA2 GLY 85 HA2 GLY 85 0.413 -15.437 -6.580 708 HA3 GLY 85 HA3 GLY 85 -0.921 -16.164 -5.700 709 H SER 86 H SER 86 0.094 -13.225 -7.425 710 HA SER 86 HA SER 86 -2.540 -12.119 -7.770 711 HB2 SER 86 HB2 SER 86 0.062 -11.537 -9.242 712 HB3 SER 86 HB3 SER 86 -1.418 -10.591 -9.422 713 HG SER 86 HG SER 86 -0.364 -11.030 -6.857 714 H LEU 87 H LEU 87 -3.287 -11.567 -10.133 715 HA LEU 87 HA LEU 87 -4.124 -14.012 -11.347 716 HB2 LEU 87 HB2 LEU 87 -5.167 -11.524 -11.279 717 HB3 LEU 87 HB3 LEU 87 -4.376 -11.392 -12.831 718 HG LEU 87 HG LEU 87 -6.792 -11.974 -13.003 719 HD11 LEU 87 HD11 LEU 87 -5.329 -12.645 -14.842 720 HD12 LEU 87 HD12 LEU 87 -6.651 -13.786 -14.623 721 HD13 LEU 87 HD13 LEU 87 -5.030 -14.200 -14.059 722 HD21 LEU 87 HD21 LEU 87 -7.019 -13.270 -10.936 723 HD22 LEU 87 HD22 LEU 87 -6.060 -14.581 -11.627 724 HD23 LEU 87 HD23 LEU 87 -7.631 -14.172 -12.321 725 H VAL 88 H VAL 88 -1.671 -11.615 -12.186 726 HA VAL 88 HA VAL 88 -1.017 -12.384 -14.792 727 HB VAL 88 HB VAL 88 1.153 -11.196 -14.447 728 HG11 VAL 88 HG11 VAL 88 -1.243 -9.722 -13.287 729 HG12 VAL 88 HG12 VAL 88 -0.856 -9.896 -15.000 730 HG13 VAL 88 HG13 VAL 88 0.212 -8.965 -13.950 731 HG21 VAL 88 HG21 VAL 88 1.666 -11.888 -12.135 732 HG22 VAL 88 HG22 VAL 88 0.297 -10.957 -11.527 733 HG23 VAL 88 HG23 VAL 88 1.672 -10.129 -12.263 734 HA PRO 89 HA PRO 89 1.080 -16.337 -14.186 735 HB2 PRO 89 HB2 PRO 89 2.359 -16.559 -16.602 736 HB3 PRO 89 HB3 PRO 89 0.613 -16.773 -16.420 737 HG2 PRO 89 HG2 PRO 89 2.133 -14.326 -17.321 738 HG3 PRO 89 HG3 PRO 89 0.684 -15.066 -18.039 739 HD2 PRO 89 HD2 PRO 89 0.532 -12.898 -16.409 740 HD3 PRO 89 HD3 PRO 89 -0.736 -14.145 -16.431 741 H ARG 90 H ARG 90 3.057 -17.087 -13.463 742 HA ARG 90 HA ARG 90 4.961 -15.063 -12.634 743 HB2 ARG 90 HB2 ARG 90 5.880 -16.763 -11.197 744 HB3 ARG 90 HB3 ARG 90 4.130 -16.907 -11.139 745 HG2 ARG 90 HG2 ARG 90 4.335 -18.814 -12.816 746 HG3 ARG 90 HG3 ARG 90 6.082 -18.720 -12.589 747 HD2 ARG 90 HD2 ARG 90 3.984 -19.455 -10.525 748 HD3 ARG 90 HD3 ARG 90 5.277 -20.470 -11.162 749 HE ARG 90 HE ARG 90 6.862 -18.952 -10.000 750 HH11 ARG 90 HH11 ARG 90 3.617 -19.142 -8.834 751 HH12 ARG 90 HH12 ARG 90 4.046 -18.610 -7.248 752 HH21 ARG 90 HH21 ARG 90 7.382 -18.268 -7.969 753 HH22 ARG 90 HH22 ARG 90 6.144 -18.108 -6.770 754 H GLY 91 H GLY 91 4.825 -17.319 -15.258 755 HA2 GLY 91 HA2 GLY 91 7.639 -17.667 -15.733 756 HA3 GLY 91 HA3 GLY 91 6.335 -18.011 -16.854 757 H SER 92 H SER 92 8.238 -15.338 -15.483 758 HA SER 92 HA SER 92 7.565 -13.465 -17.601 759 HB2 SER 92 HB2 SER 92 9.141 -11.926 -16.414 760 HB3 SER 92 HB3 SER 92 7.955 -12.624 -15.313 761 HG SER 92 HG SER 92 10.470 -13.861 -15.646 762 H TYR 93 H TYR 93 9.366 -12.321 -18.819 763 HA TYR 93 HA TYR 93 11.046 -14.309 -20.172 764 HB2 TYR 93 HB2 TYR 93 10.621 -11.374 -20.854 765 HB3 TYR 93 HB3 TYR 93 11.359 -12.590 -21.892 766 HD1 TYR 93 HD1 TYR 93 9.901 -14.436 -22.849 767 HD2 TYR 93 HD2 TYR 93 8.220 -11.104 -20.766 768 HE1 TYR 93 HE1 TYR 93 7.707 -14.915 -23.839 769 HE2 TYR 93 HE2 TYR 93 6.031 -11.584 -21.762 770 HH TYR 93 HH TYR 93 5.279 -14.471 -23.248 771 H LEU 94 H LEU 94 11.456 -11.958 -17.722 772 HA LEU 94 HA LEU 94 13.158 -10.904 -16.663 773 HB2 LEU 94 HB2 LEU 94 14.254 -13.135 -16.709 774 HB3 LEU 94 HB3 LEU 94 14.977 -12.754 -18.258 775 HG LEU 94 HG LEU 94 16.307 -10.926 -17.132 776 HD11 LEU 94 HD11 LEU 94 15.197 -12.066 -14.553 777 HD12 LEU 94 HD12 LEU 94 14.876 -10.464 -15.218 778 HD13 LEU 94 HD13 LEU 94 16.501 -10.879 -14.682 779 HD21 LEU 94 HD21 LEU 94 17.311 -13.128 -17.560 780 HD22 LEU 94 HD22 LEU 94 16.748 -13.704 -15.989 781 HD23 LEU 94 HD23 LEU 94 17.947 -12.413 -16.079 782 H GLU 95 H GLU 95 12.298 -10.319 -19.636 783 HA GLU 95 HA GLU 95 14.458 -9.029 -20.966 784 HB2 GLU 95 HB2 GLU 95 12.801 -8.275 -22.582 785 HB3 GLU 95 HB3 GLU 95 12.475 -9.950 -22.155 786 HG2 GLU 95 HG2 GLU 95 10.603 -9.316 -20.765 787 HG3 GLU 95 HG3 GLU 95 11.011 -7.609 -20.904 788 H HIS 96 H HIS 96 12.382 -7.971 -18.449 789 HA HIS 96 HA HIS 96 12.112 -5.222 -18.869 790 HB2 HIS 96 HB2 HIS 96 11.021 -6.742 -17.070 791 HB3 HIS 96 HB3 HIS 96 12.484 -6.507 -16.126 792 HD1 HIS 96 HD1 HIS 96 9.341 -4.833 -17.169 793 HD2 HIS 96 HD2 HIS 96 12.782 -3.846 -15.072 794 HE1 HIS 96 HE1 HIS 96 8.802 -2.709 -15.961 795 HE2 HIS 96 HE2 HIS 96 10.917 -2.085 -14.761 796 H HIS 97 H HIS 97 14.663 -7.038 -17.152 797 HA HIS 97 HA HIS 97 16.806 -5.690 -18.321 798 HB2 HIS 97 HB2 HIS 97 17.821 -4.437 -16.454 799 HB3 HIS 97 HB3 HIS 97 16.230 -3.777 -16.826 800 HD1 HIS 97 HD1 HIS 97 18.265 -4.736 -14.050 801 HD2 HIS 97 HD2 HIS 97 14.190 -4.861 -14.841 802 HE1 HIS 97 HE1 HIS 97 17.155 -4.969 -11.824 803 HE2 HIS 97 HE2 HIS 97 14.689 -4.977 -12.312 804 H HIS 98 H HIS 98 18.614 -6.998 -18.146 805 HA HIS 98 HA HIS 98 18.458 -9.319 -16.317 806 HB2 HIS 98 HB2 HIS 98 20.110 -10.405 -17.815 807 HB3 HIS 98 HB3 HIS 98 18.658 -9.915 -18.673 808 HD1 HIS 98 HD1 HIS 98 18.957 -8.330 -20.631 809 HD2 HIS 98 HD2 HIS 98 22.459 -8.846 -18.467 810 HE1 HIS 98 HE1 HIS 98 20.749 -7.248 -21.997 811 HE2 HIS 98 HE2 HIS 98 22.882 -7.748 -20.762 812 H HIS 99 H HIS 99 20.474 -10.154 -15.416 813 HA HIS 99 HA HIS 99 22.127 -8.063 -14.197 814 HB2 HIS 99 HB2 HIS 99 22.024 -11.067 -13.640 815 HB3 HIS 99 HB3 HIS 99 22.875 -9.859 -12.674 816 HD1 HIS 99 HD1 HIS 99 21.520 -8.697 -10.871 817 HD2 HIS 99 HD2 HIS 99 19.109 -10.811 -13.510 818 HE1 HIS 99 HE1 HIS 99 19.225 -8.634 -9.878 819 HE2 HIS 99 HE2 HIS 99 17.761 -9.754 -11.585 820 H HIS 100 H HIS 100 24.547 -8.670 -13.916 821 HA HIS 100 HA HIS 100 25.596 -9.150 -16.657 822 HB2 HIS 100 HB2 HIS 100 26.759 -7.345 -14.493 823 HB3 HIS 100 HB3 HIS 100 27.326 -7.488 -16.155 824 HD1 HIS 100 HD1 HIS 100 24.752 -5.840 -14.048 825 HD2 HIS 100 HD2 HIS 100 25.627 -6.237 -18.090 826 HE1 HIS 100 HE1 HIS 100 23.346 -4.131 -15.209 827 HE2 HIS 100 HE2 HIS 100 24.070 -4.233 -17.612 828 H HIS 101 H HIS 101 26.694 -11.030 -16.814 829 HA HIS 101 HA HIS 101 28.720 -11.746 -14.774 830 HB2 HIS 101 HB2 HIS 101 26.789 -13.731 -16.071 831 HB3 HIS 101 HB3 HIS 101 28.175 -14.180 -15.080 832 HD1 HIS 101 HD1 HIS 101 28.062 -13.045 -12.547 833 HD2 HIS 101 HD2 HIS 101 24.488 -13.557 -14.600 834 HE1 HIS 101 HE1 HIS 101 26.270 -12.921 -10.812 835 HE2 HIS 101 HE2 HIS 101 24.147 -13.464 -12.040 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -9.815 -18.485 8.589 2 H2 MET 1 H2 MET 1 -9.345 -18.730 10.195 3 H3 MET 1 H3 MET 1 -9.382 -20.032 9.116 4 HA MET 1 HA MET 1 -7.614 -19.089 7.812 5 HB2 MET 1 HB2 MET 1 -7.584 -16.899 9.937 6 HB3 MET 1 HB3 MET 1 -6.400 -17.075 8.650 7 HG2 MET 1 HG2 MET 1 -8.162 -16.633 6.978 8 HG3 MET 1 HG3 MET 1 -9.336 -16.431 8.286 9 HE1 MET 1 HE1 MET 1 -8.731 -12.725 7.008 10 HE2 MET 1 HE2 MET 1 -9.959 -13.947 7.339 11 HE3 MET 1 HE3 MET 1 -8.797 -14.194 6.033 12 H GLN 2 H GLN 2 -5.400 -19.654 8.303 13 HA GLN 2 HA GLN 2 -4.800 -20.527 11.067 14 HB2 GLN 2 HB2 GLN 2 -5.606 -22.502 9.787 15 HB3 GLN 2 HB3 GLN 2 -4.348 -22.234 8.588 16 HG2 GLN 2 HG2 GLN 2 -2.645 -22.602 10.420 17 HG3 GLN 2 HG3 GLN 2 -3.975 -23.046 11.489 18 HE21 GLN 2 HE21 GLN 2 -3.189 -25.154 11.772 19 HE22 GLN 2 HE22 GLN 2 -3.262 -26.343 10.523 20 H GLU 3 H GLU 3 -3.486 -18.708 11.244 21 HA GLU 3 HA GLU 3 -1.582 -17.549 11.374 22 HB2 GLU 3 HB2 GLU 3 -0.573 -19.788 11.784 23 HB3 GLU 3 HB3 GLU 3 -0.256 -19.949 10.062 24 HG2 GLU 3 HG2 GLU 3 1.235 -17.942 10.184 25 HG3 GLU 3 HG3 GLU 3 0.970 -17.889 11.927 26 H GLU 4 H GLU 4 -0.992 -19.171 8.211 27 HA GLU 4 HA GLU 4 0.556 -17.105 7.161 28 HB2 GLU 4 HB2 GLU 4 -0.884 -19.347 5.705 29 HB3 GLU 4 HB3 GLU 4 0.349 -18.318 4.976 30 HG2 GLU 4 HG2 GLU 4 1.988 -19.129 6.685 31 HG3 GLU 4 HG3 GLU 4 0.747 -20.209 7.318 32 H ARG 5 H ARG 5 -2.948 -17.695 6.600 33 HA ARG 5 HA ARG 5 -3.415 -15.827 4.567 34 HB2 ARG 5 HB2 ARG 5 -5.209 -16.807 6.810 35 HB3 ARG 5 HB3 ARG 5 -5.787 -15.592 5.681 36 HG2 ARG 5 HG2 ARG 5 -4.791 -18.327 4.831 37 HG3 ARG 5 HG3 ARG 5 -6.480 -17.955 5.164 38 HD2 ARG 5 HD2 ARG 5 -6.226 -17.845 2.799 39 HD3 ARG 5 HD3 ARG 5 -6.327 -16.172 3.346 40 HE ARG 5 HE ARG 5 -3.764 -17.508 2.663 41 HH11 ARG 5 HH11 ARG 5 -5.761 -14.681 2.509 42 HH12 ARG 5 HH12 ARG 5 -4.663 -13.846 1.472 43 HH21 ARG 5 HH21 ARG 5 -2.378 -16.399 1.354 44 HH22 ARG 5 HH22 ARG 5 -2.769 -14.791 0.846 45 H LYS 6 H LYS 6 -3.292 -15.288 8.079 46 HA LYS 6 HA LYS 6 -3.789 -12.484 7.932 47 HB2 LYS 6 HB2 LYS 6 -2.718 -14.250 10.144 48 HB3 LYS 6 HB3 LYS 6 -2.818 -12.495 10.319 49 HG2 LYS 6 HG2 LYS 6 -5.291 -12.723 9.642 50 HG3 LYS 6 HG3 LYS 6 -5.094 -14.457 9.912 51 HD2 LYS 6 HD2 LYS 6 -4.584 -14.094 12.256 52 HD3 LYS 6 HD3 LYS 6 -4.505 -12.343 12.015 53 HE2 LYS 6 HE2 LYS 6 -6.905 -12.334 11.405 54 HE3 LYS 6 HE3 LYS 6 -6.979 -14.071 11.713 55 HZ1 LYS 6 HZ1 LYS 6 -7.782 -12.782 13.607 56 HZ2 LYS 6 HZ2 LYS 6 -6.289 -11.998 13.729 57 HZ3 LYS 6 HZ3 LYS 6 -6.394 -13.658 14.017 58 H LYS 7 H LYS 7 -0.771 -14.408 7.875 59 HA LYS 7 HA LYS 7 1.022 -12.310 8.483 60 HB2 LYS 7 HB2 LYS 7 1.604 -14.803 6.835 61 HB3 LYS 7 HB3 LYS 7 2.814 -13.767 7.589 62 HG2 LYS 7 HG2 LYS 7 0.753 -15.483 9.005 63 HG3 LYS 7 HG3 LYS 7 2.498 -15.750 8.949 64 HD2 LYS 7 HD2 LYS 7 2.935 -13.854 10.345 65 HD3 LYS 7 HD3 LYS 7 1.299 -13.229 10.148 66 HE2 LYS 7 HE2 LYS 7 0.485 -15.309 11.369 67 HE3 LYS 7 HE3 LYS 7 2.177 -15.632 11.763 68 HZ1 LYS 7 HZ1 LYS 7 2.296 -13.552 12.924 69 HZ2 LYS 7 HZ2 LYS 7 0.968 -14.418 13.511 70 HZ3 LYS 7 HZ3 LYS 7 0.731 -13.127 12.440 71 H LEU 8 H LEU 8 -0.362 -13.241 5.361 72 HA LEU 8 HA LEU 8 1.261 -11.483 3.778 73 HB2 LEU 8 HB2 LEU 8 -1.346 -12.933 3.243 74 HB3 LEU 8 HB3 LEU 8 -0.749 -11.744 2.100 75 HG LEU 8 HG LEU 8 -0.102 -13.921 1.304 76 HD11 LEU 8 HD11 LEU 8 1.538 -12.139 0.955 77 HD12 LEU 8 HD12 LEU 8 2.321 -13.705 1.121 78 HD13 LEU 8 HD13 LEU 8 2.348 -12.565 2.467 79 HD21 LEU 8 HD21 LEU 8 1.220 -14.437 3.987 80 HD22 LEU 8 HD22 LEU 8 1.313 -15.491 2.571 81 HD23 LEU 8 HD23 LEU 8 -0.236 -15.219 3.366 82 H LEU 9 H LEU 9 -2.077 -11.118 5.136 83 HA LEU 9 HA LEU 9 -2.368 -8.438 4.167 84 HB2 LEU 9 HB2 LEU 9 -4.432 -8.325 5.504 85 HB3 LEU 9 HB3 LEU 9 -4.349 -9.737 4.479 86 HG LEU 9 HG LEU 9 -3.624 -11.006 6.656 87 HD11 LEU 9 HD11 LEU 9 -4.558 -10.120 8.755 88 HD12 LEU 9 HD12 LEU 9 -4.940 -8.598 7.946 89 HD13 LEU 9 HD13 LEU 9 -3.259 -9.102 8.133 90 HD21 LEU 9 HD21 LEU 9 -5.970 -11.460 7.244 91 HD22 LEU 9 HD22 LEU 9 -5.733 -11.426 5.499 92 HD23 LEU 9 HD23 LEU 9 -6.481 -10.049 6.311 93 H GLU 10 H GLU 10 -0.920 -9.725 7.065 94 HA GLU 10 HA GLU 10 -0.847 -7.305 8.599 95 HB2 GLU 10 HB2 GLU 10 0.764 -9.877 8.776 96 HB3 GLU 10 HB3 GLU 10 1.028 -8.529 9.876 97 HG2 GLU 10 HG2 GLU 10 -1.294 -8.730 10.697 98 HG3 GLU 10 HG3 GLU 10 -1.576 -10.063 9.579 99 H LYS 11 H LYS 11 1.456 -8.879 6.355 100 HA LYS 11 HA LYS 11 3.549 -6.976 6.514 101 HB2 LYS 11 HB2 LYS 11 3.912 -9.144 5.438 102 HB3 LYS 11 HB3 LYS 11 2.699 -8.790 4.212 103 HG2 LYS 11 HG2 LYS 11 4.135 -6.974 3.312 104 HG3 LYS 11 HG3 LYS 11 5.362 -7.340 4.530 105 HD2 LYS 11 HD2 LYS 11 5.757 -9.540 3.552 106 HD3 LYS 11 HD3 LYS 11 4.397 -9.346 2.447 107 HE2 LYS 11 HE2 LYS 11 6.442 -8.989 1.209 108 HE3 LYS 11 HE3 LYS 11 5.616 -7.439 1.364 109 HZ1 LYS 11 HZ1 LYS 11 7.875 -8.350 3.055 110 HZ2 LYS 11 HZ2 LYS 11 7.126 -6.840 3.135 111 HZ3 LYS 11 HZ3 LYS 11 8.003 -7.276 1.759 112 H LEU 12 H LEU 12 0.645 -7.149 4.495 113 HA LEU 12 HA LEU 12 1.110 -4.831 2.926 114 HB2 LEU 12 HB2 LEU 12 -0.438 -6.783 2.433 115 HB3 LEU 12 HB3 LEU 12 -1.558 -6.131 3.610 116 HG LEU 12 HG LEU 12 -2.064 -5.705 1.126 117 HD11 LEU 12 HD11 LEU 12 -2.968 -3.473 1.457 118 HD12 LEU 12 HD12 LEU 12 -1.977 -3.263 2.902 119 HD13 LEU 12 HD13 LEU 12 -3.246 -4.487 2.872 120 HD21 LEU 12 HD21 LEU 12 0.213 -5.124 0.397 121 HD22 LEU 12 HD22 LEU 12 0.154 -3.644 1.360 122 HD23 LEU 12 HD23 LEU 12 -0.945 -3.858 -0.005 123 H GLU 13 H GLU 13 -0.746 -5.331 5.945 124 HA GLU 13 HA GLU 13 -1.647 -2.728 6.460 125 HB2 GLU 13 HB2 GLU 13 -1.022 -5.103 8.220 126 HB3 GLU 13 HB3 GLU 13 -1.366 -3.563 8.995 127 HG2 GLU 13 HG2 GLU 13 -3.213 -5.018 7.088 128 HG3 GLU 13 HG3 GLU 13 -3.345 -5.015 8.848 129 H LYS 14 H LYS 14 1.446 -4.251 7.213 130 HA LYS 14 HA LYS 14 2.621 -2.242 8.778 131 HB2 LYS 14 HB2 LYS 14 3.519 -4.542 8.555 132 HB3 LYS 14 HB3 LYS 14 3.963 -4.224 6.882 133 HG2 LYS 14 HG2 LYS 14 5.545 -2.478 7.655 134 HG3 LYS 14 HG3 LYS 14 5.109 -2.843 9.328 135 HD2 LYS 14 HD2 LYS 14 6.001 -5.131 9.074 136 HD3 LYS 14 HD3 LYS 14 6.395 -4.809 7.381 137 HE2 LYS 14 HE2 LYS 14 7.590 -3.407 9.792 138 HE3 LYS 14 HE3 LYS 14 8.392 -4.622 8.798 139 HZ1 LYS 14 HZ1 LYS 14 8.434 -3.165 6.968 140 HZ2 LYS 14 HZ2 LYS 14 8.952 -2.256 8.293 141 HZ3 LYS 14 HZ3 LYS 14 7.389 -2.061 7.701 142 H ILE 15 H ILE 15 2.571 -2.726 5.259 143 HA ILE 15 HA ILE 15 4.225 -0.581 4.460 144 HB ILE 15 HB ILE 15 1.836 -1.699 2.910 145 HG12 ILE 15 HG12 ILE 15 3.189 -3.612 3.374 146 HG13 ILE 15 HG13 ILE 15 3.640 -3.135 1.743 147 HG21 ILE 15 HG21 ILE 15 4.305 -0.232 1.913 148 HG22 ILE 15 HG22 ILE 15 2.667 0.414 1.987 149 HG23 ILE 15 HG23 ILE 15 3.037 -0.916 0.895 150 HD11 ILE 15 HD11 ILE 15 5.651 -2.031 2.672 151 HD12 ILE 15 HD12 ILE 15 5.589 -3.764 2.988 152 HD13 ILE 15 HD13 ILE 15 5.200 -2.624 4.274 153 H LEU 16 H LEU 16 0.695 -0.798 4.804 154 HA LEU 16 HA LEU 16 -0.059 1.749 3.967 155 HB2 LEU 16 HB2 LEU 16 -1.318 -0.376 5.677 156 HB3 LEU 16 HB3 LEU 16 -2.077 1.204 5.674 157 HG LEU 16 HG LEU 16 -2.586 1.083 3.328 158 HD11 LEU 16 HD11 LEU 16 -0.980 -1.478 3.145 159 HD12 LEU 16 HD12 LEU 16 -0.530 0.083 2.460 160 HD13 LEU 16 HD13 LEU 16 -1.948 -0.765 1.851 161 HD21 LEU 16 HD21 LEU 16 -4.129 -0.142 4.800 162 HD22 LEU 16 HD22 LEU 16 -3.188 -1.621 4.582 163 HD23 LEU 16 HD23 LEU 16 -4.039 -0.902 3.211 164 H ASP 17 H ASP 17 0.973 0.699 7.176 165 HA ASP 17 HA ASP 17 0.376 3.114 8.574 166 HB2 ASP 17 HB2 ASP 17 0.608 0.940 9.693 167 HB3 ASP 17 HB3 ASP 17 2.296 0.839 9.209 168 H GLU 18 H GLU 18 3.325 1.892 6.993 169 HA GLU 18 HA GLU 18 5.004 4.091 7.874 170 HB2 GLU 18 HB2 GLU 18 5.552 1.868 5.872 171 HB3 GLU 18 HB3 GLU 18 6.760 2.969 6.529 172 HG2 GLU 18 HG2 GLU 18 6.497 2.047 8.749 173 HG3 GLU 18 HG3 GLU 18 5.117 1.078 8.244 174 H VAL 19 H VAL 19 3.143 3.385 4.946 175 HA VAL 19 HA VAL 19 4.605 5.241 3.263 176 HB VAL 19 HB VAL 19 3.550 3.177 2.306 177 HG11 VAL 19 HG11 VAL 19 1.446 3.150 3.552 178 HG12 VAL 19 HG12 VAL 19 1.152 3.090 1.816 179 HG13 VAL 19 HG13 VAL 19 0.899 4.597 2.700 180 HG21 VAL 19 HG21 VAL 19 2.587 5.768 1.025 181 HG22 VAL 19 HG22 VAL 19 2.764 4.214 0.206 182 HG23 VAL 19 HG23 VAL 19 4.186 5.046 0.831 183 H THR 20 H THR 20 1.631 5.345 5.187 184 HA THR 20 HA THR 20 0.693 7.913 4.334 185 HB THR 20 HB THR 20 -0.559 7.962 6.530 186 HG1 THR 20 HG1 THR 20 -0.206 5.514 7.415 187 HG21 THR 20 HG21 THR 20 -0.786 5.334 5.014 188 HG22 THR 20 HG22 THR 20 -1.597 6.843 4.591 189 HG23 THR 20 HG23 THR 20 -2.011 6.009 6.089 190 H ASP 21 H ASP 21 2.843 6.856 6.952 191 HA ASP 21 HA ASP 21 3.569 9.331 8.053 192 HB2 ASP 21 HB2 ASP 21 4.105 7.217 9.146 193 HB3 ASP 21 HB3 ASP 21 5.101 6.713 7.789 194 H GLY 22 H GLY 22 5.039 7.518 5.346 195 HA2 GLY 22 HA2 GLY 22 7.104 9.470 4.795 196 HA3 GLY 22 HA3 GLY 22 6.762 8.017 3.882 197 H ALA 23 H ALA 23 3.836 9.200 3.828 198 HA ALA 23 HA ALA 23 3.842 10.310 1.236 199 HB1 ALA 23 HB1 ALA 23 1.462 10.791 1.640 200 HB2 ALA 23 HB2 ALA 23 1.692 10.519 3.372 201 HB3 ALA 23 HB3 ALA 23 1.892 9.186 2.237 202 HA PRO 24 HA PRO 24 4.193 14.848 2.121 203 HB2 PRO 24 HB2 PRO 24 2.558 15.247 -0.338 204 HB3 PRO 24 HB3 PRO 24 4.195 15.813 0.012 205 HG2 PRO 24 HG2 PRO 24 3.718 13.845 -1.776 206 HG3 PRO 24 HG3 PRO 24 5.179 13.860 -0.766 207 HD2 PRO 24 HD2 PRO 24 2.648 12.250 -0.410 208 HD3 PRO 24 HD3 PRO 24 4.344 11.743 -0.225 209 H ASP 25 H ASP 25 2.581 16.637 2.519 210 HA ASP 25 HA ASP 25 0.225 15.752 3.837 211 HB2 ASP 25 HB2 ASP 25 0.982 18.559 2.933 212 HB3 ASP 25 HB3 ASP 25 -0.317 18.181 4.062 213 H GLU 26 H GLU 26 0.739 16.814 0.510 214 HA GLU 26 HA GLU 26 -1.994 17.036 -0.262 215 HB2 GLU 26 HB2 GLU 26 0.420 16.317 -1.977 216 HB3 GLU 26 HB3 GLU 26 -1.160 16.793 -2.600 217 HG2 GLU 26 HG2 GLU 26 -0.840 19.006 -1.399 218 HG3 GLU 26 HG3 GLU 26 0.812 18.489 -1.061 219 H ALA 27 H ALA 27 0.292 14.407 -1.181 220 HA ALA 27 HA ALA 27 -1.708 12.573 -2.007 221 HB1 ALA 27 HB1 ALA 27 0.129 10.976 -2.267 222 HB2 ALA 27 HB2 ALA 27 1.192 12.030 -1.327 223 HB3 ALA 27 HB3 ALA 27 0.581 12.567 -2.891 224 H ARG 28 H ARG 28 -0.675 13.345 1.146 225 HA ARG 28 HA ARG 28 -0.894 11.090 2.706 226 HB2 ARG 28 HB2 ARG 28 -0.509 13.549 3.428 227 HB3 ARG 28 HB3 ARG 28 -2.253 13.733 3.402 228 HG2 ARG 28 HG2 ARG 28 -2.000 13.257 5.633 229 HG3 ARG 28 HG3 ARG 28 -2.127 11.597 5.043 230 HD2 ARG 28 HD2 ARG 28 -0.260 11.772 6.589 231 HD3 ARG 28 HD3 ARG 28 0.363 11.473 4.962 232 HE ARG 28 HE ARG 28 0.247 14.270 5.521 233 HH11 ARG 28 HH11 ARG 28 2.191 11.475 6.214 234 HH12 ARG 28 HH12 ARG 28 3.609 12.418 6.497 235 HH21 ARG 28 HH21 ARG 28 2.074 15.431 5.894 236 HH22 ARG 28 HH22 ARG 28 3.548 14.621 6.307 237 H GLU 29 H GLU 29 -3.518 13.234 1.659 238 HA GLU 29 HA GLU 29 -5.663 11.975 2.960 239 HB2 GLU 29 HB2 GLU 29 -5.681 13.782 0.506 240 HB3 GLU 29 HB3 GLU 29 -7.079 13.421 1.519 241 HG2 GLU 29 HG2 GLU 29 -5.913 14.479 3.458 242 HG3 GLU 29 HG3 GLU 29 -4.570 14.895 2.394 243 H ARG 30 H ARG 30 -4.259 11.386 -0.224 244 HA ARG 30 HA ARG 30 -6.310 9.740 -1.311 245 HB2 ARG 30 HB2 ARG 30 -4.397 10.815 -2.602 246 HB3 ARG 30 HB3 ARG 30 -3.322 9.597 -1.932 247 HG2 ARG 30 HG2 ARG 30 -3.991 8.996 -4.208 248 HG3 ARG 30 HG3 ARG 30 -4.633 7.819 -3.056 249 HD2 ARG 30 HD2 ARG 30 -6.837 8.909 -3.145 250 HD3 ARG 30 HD3 ARG 30 -6.202 10.136 -4.248 251 HE ARG 30 HE ARG 30 -5.713 7.759 -5.506 252 HH11 ARG 30 HH11 ARG 30 -8.589 9.232 -4.269 253 HH12 ARG 30 HH12 ARG 30 -9.586 8.534 -5.493 254 HH21 ARG 30 HH21 ARG 30 -7.022 6.873 -7.035 255 HH22 ARG 30 HH22 ARG 30 -8.721 7.216 -7.027 256 H ILE 31 H ILE 31 -3.327 9.001 0.474 257 HA ILE 31 HA ILE 31 -3.662 6.151 0.387 258 HB ILE 31 HB ILE 31 -1.825 7.648 2.319 259 HG12 ILE 31 HG12 ILE 31 -1.274 6.874 -0.587 260 HG13 ILE 31 HG13 ILE 31 -1.400 8.509 0.040 261 HG21 ILE 31 HG21 ILE 31 -1.632 4.862 1.080 262 HG22 ILE 31 HG22 ILE 31 -2.084 5.223 2.746 263 HG23 ILE 31 HG23 ILE 31 -0.455 5.584 2.181 264 HD11 ILE 31 HD11 ILE 31 0.895 7.937 -0.350 265 HD12 ILE 31 HD12 ILE 31 0.763 6.507 0.669 266 HD13 ILE 31 HD13 ILE 31 0.634 8.116 1.385 267 H GLU 32 H GLU 32 -4.379 8.657 2.818 268 HA GLU 32 HA GLU 32 -4.942 7.091 5.075 269 HB2 GLU 32 HB2 GLU 32 -6.015 9.795 4.176 270 HB3 GLU 32 HB3 GLU 32 -6.443 9.102 5.733 271 HG2 GLU 32 HG2 GLU 32 -3.568 9.590 4.919 272 HG3 GLU 32 HG3 GLU 32 -4.554 10.831 5.689 273 H LYS 33 H LYS 33 -7.124 8.175 2.480 274 HA LYS 33 HA LYS 33 -9.510 6.999 3.482 275 HB2 LYS 33 HB2 LYS 33 -8.703 7.883 0.681 276 HB3 LYS 33 HB3 LYS 33 -10.322 7.310 1.072 277 HG2 LYS 33 HG2 LYS 33 -8.970 9.744 2.291 278 HG3 LYS 33 HG3 LYS 33 -10.196 9.778 1.019 279 HD2 LYS 33 HD2 LYS 33 -11.839 8.780 2.559 280 HD3 LYS 33 HD3 LYS 33 -10.615 8.668 3.822 281 HE2 LYS 33 HE2 LYS 33 -10.446 11.146 3.853 282 HE3 LYS 33 HE3 LYS 33 -11.709 11.236 2.621 283 HZ1 LYS 33 HZ1 LYS 33 -12.009 10.094 5.348 284 HZ2 LYS 33 HZ2 LYS 33 -13.215 10.128 4.168 285 HZ3 LYS 33 HZ3 LYS 33 -12.631 11.575 4.813 286 H LEU 34 H LEU 34 -7.268 5.910 0.896 287 HA LEU 34 HA LEU 34 -8.735 3.559 0.269 288 HB2 LEU 34 HB2 LEU 34 -7.238 4.738 -1.324 289 HB3 LEU 34 HB3 LEU 34 -5.842 4.224 -0.390 290 HG LEU 34 HG LEU 34 -6.281 1.861 -0.968 291 HD11 LEU 34 HD11 LEU 34 -8.058 1.235 -2.569 292 HD12 LEU 34 HD12 LEU 34 -8.677 2.887 -2.530 293 HD13 LEU 34 HD13 LEU 34 -8.722 1.890 -1.073 294 HD21 LEU 34 HD21 LEU 34 -6.288 3.646 -3.434 295 HD22 LEU 34 HD22 LEU 34 -5.807 1.947 -3.391 296 HD23 LEU 34 HD23 LEU 34 -4.865 3.147 -2.511 297 H ALA 35 H ALA 35 -5.954 4.111 2.382 298 HA ALA 35 HA ALA 35 -5.204 1.466 2.956 299 HB1 ALA 35 HB1 ALA 35 -4.983 3.879 4.791 300 HB2 ALA 35 HB2 ALA 35 -3.798 3.388 3.582 301 HB3 ALA 35 HB3 ALA 35 -4.111 2.353 4.977 302 H LYS 36 H LYS 36 -7.496 3.620 4.672 303 HA LYS 36 HA LYS 36 -8.282 1.841 6.710 304 HB2 LYS 36 HB2 LYS 36 -8.782 4.290 6.733 305 HB3 LYS 36 HB3 LYS 36 -9.950 4.058 5.434 306 HG2 LYS 36 HG2 LYS 36 -11.218 2.491 6.953 307 HG3 LYS 36 HG3 LYS 36 -10.109 2.935 8.251 308 HD2 LYS 36 HD2 LYS 36 -10.882 5.271 8.140 309 HD3 LYS 36 HD3 LYS 36 -11.931 4.878 6.772 310 HE2 LYS 36 HE2 LYS 36 -12.177 3.827 9.612 311 HE3 LYS 36 HE3 LYS 36 -13.271 4.952 8.804 312 HZ1 LYS 36 HZ1 LYS 36 -14.193 2.739 8.814 313 HZ2 LYS 36 HZ2 LYS 36 -12.821 2.102 8.060 314 HZ3 LYS 36 HZ3 LYS 36 -13.824 3.173 7.220 315 H ASP 37 H ASP 37 -9.610 2.360 3.430 316 HA ASP 37 HA ASP 37 -11.866 0.688 3.571 317 HB2 ASP 37 HB2 ASP 37 -10.119 1.255 1.131 318 HB3 ASP 37 HB3 ASP 37 -11.748 0.578 1.082 319 H VAL 38 H VAL 38 -8.485 -0.084 2.757 320 HA VAL 38 HA VAL 38 -8.804 -2.821 2.116 321 HB VAL 38 HB VAL 38 -6.339 -1.494 3.358 322 HG11 VAL 38 HG11 VAL 38 -6.194 -3.931 3.556 323 HG12 VAL 38 HG12 VAL 38 -5.052 -3.364 2.341 324 HG13 VAL 38 HG13 VAL 38 -6.561 -4.128 1.840 325 HG21 VAL 38 HG21 VAL 38 -6.990 -1.933 0.413 326 HG22 VAL 38 HG22 VAL 38 -5.482 -1.272 1.052 327 HG23 VAL 38 HG23 VAL 38 -6.990 -0.384 1.257 328 H LYS 39 H LYS 39 -8.339 -1.184 5.257 329 HA LYS 39 HA LYS 39 -7.994 -3.513 6.870 330 HB2 LYS 39 HB2 LYS 39 -9.152 -0.842 7.772 331 HB3 LYS 39 HB3 LYS 39 -8.349 -2.045 8.785 332 HG2 LYS 39 HG2 LYS 39 -6.241 -1.652 7.576 333 HG3 LYS 39 HG3 LYS 39 -7.051 -0.469 6.553 334 HD2 LYS 39 HD2 LYS 39 -7.505 0.895 8.641 335 HD3 LYS 39 HD3 LYS 39 -6.481 -0.242 9.530 336 HE2 LYS 39 HE2 LYS 39 -5.665 1.584 7.245 337 HE3 LYS 39 HE3 LYS 39 -5.118 1.655 8.921 338 HZ1 LYS 39 HZ1 LYS 39 -4.527 -0.522 6.977 339 HZ2 LYS 39 HZ2 LYS 39 -4.053 -0.517 8.598 340 HZ3 LYS 39 HZ3 LYS 39 -3.442 0.650 7.540 341 H ASP 40 H ASP 40 -10.866 -1.707 5.847 342 HA ASP 40 HA ASP 40 -12.804 -3.226 7.295 343 HB2 ASP 40 HB2 ASP 40 -13.131 -1.592 4.735 344 HB3 ASP 40 HB3 ASP 40 -14.454 -2.193 5.732 345 H GLU 41 H GLU 41 -11.248 -3.665 4.150 346 HA GLU 41 HA GLU 41 -12.829 -5.890 3.233 347 HB2 GLU 41 HB2 GLU 41 -10.109 -4.811 2.383 348 HB3 GLU 41 HB3 GLU 41 -10.909 -6.146 1.559 349 HG2 GLU 41 HG2 GLU 41 -12.171 -3.405 1.863 350 HG3 GLU 41 HG3 GLU 41 -11.149 -3.850 0.502 351 H LEU 42 H LEU 42 -9.881 -5.562 5.123 352 HA LEU 42 HA LEU 42 -9.138 -8.308 5.273 353 HB2 LEU 42 HB2 LEU 42 -8.472 -5.793 6.751 354 HB3 LEU 42 HB3 LEU 42 -8.171 -7.283 7.623 355 HG LEU 42 HG LEU 42 -6.548 -8.028 6.022 356 HD11 LEU 42 HD11 LEU 42 -7.623 -7.383 3.922 357 HD12 LEU 42 HD12 LEU 42 -5.953 -6.826 3.966 358 HD13 LEU 42 HD13 LEU 42 -7.269 -5.684 4.241 359 HD21 LEU 42 HD21 LEU 42 -5.749 -6.371 7.648 360 HD22 LEU 42 HD22 LEU 42 -6.099 -5.068 6.508 361 HD23 LEU 42 HD23 LEU 42 -4.858 -6.266 6.131 362 H GLU 43 H GLU 43 -11.194 -6.249 7.303 363 HA GLU 43 HA GLU 43 -12.061 -8.140 9.193 364 HB2 GLU 43 HB2 GLU 43 -12.429 -5.712 9.440 365 HB3 GLU 43 HB3 GLU 43 -13.499 -5.706 8.048 366 HG2 GLU 43 HG2 GLU 43 -14.778 -5.576 10.121 367 HG3 GLU 43 HG3 GLU 43 -15.135 -7.074 9.263 368 H GLU 44 H GLU 44 -13.686 -7.091 6.161 369 HA GLU 44 HA GLU 44 -14.482 -9.768 5.470 370 HB2 GLU 44 HB2 GLU 44 -16.256 -8.759 7.187 371 HB3 GLU 44 HB3 GLU 44 -16.831 -7.862 5.794 372 HG2 GLU 44 HG2 GLU 44 -16.656 -10.889 5.968 373 HG3 GLU 44 HG3 GLU 44 -18.110 -9.952 6.279 374 H GLY 45 H GLY 45 -13.949 -9.784 3.364 375 HA2 GLY 45 HA2 GLY 45 -15.048 -8.559 1.232 376 HA3 GLY 45 HA3 GLY 45 -13.889 -7.342 1.748 377 H ASP 46 H ASP 46 -13.301 -7.924 -0.626 378 HA ASP 46 HA ASP 46 -11.553 -10.292 -0.833 379 HB2 ASP 46 HB2 ASP 46 -11.492 -9.643 -3.333 380 HB3 ASP 46 HB3 ASP 46 -13.005 -10.260 -2.690 381 H ALA 47 H ALA 47 -9.794 -9.718 0.305 382 HA ALA 47 HA ALA 47 -8.510 -7.202 0.336 383 HB1 ALA 47 HB1 ALA 47 -7.428 -9.901 1.217 384 HB2 ALA 47 HB2 ALA 47 -8.387 -8.795 2.204 385 HB3 ALA 47 HB3 ALA 47 -6.775 -8.322 1.665 386 H LYS 48 H LYS 48 -7.764 -10.173 -1.546 387 HA LYS 48 HA LYS 48 -5.168 -9.588 -2.419 388 HB2 LYS 48 HB2 LYS 48 -6.234 -11.795 -2.776 389 HB3 LYS 48 HB3 LYS 48 -7.344 -11.090 -3.938 390 HG2 LYS 48 HG2 LYS 48 -4.725 -10.456 -4.894 391 HG3 LYS 48 HG3 LYS 48 -4.642 -12.130 -4.364 392 HD2 LYS 48 HD2 LYS 48 -5.186 -11.960 -6.769 393 HD3 LYS 48 HD3 LYS 48 -6.494 -12.730 -5.871 394 HE2 LYS 48 HE2 LYS 48 -7.874 -10.793 -6.028 395 HE3 LYS 48 HE3 LYS 48 -6.528 -9.769 -6.518 396 HZ1 LYS 48 HZ1 LYS 48 -8.069 -10.348 -8.335 397 HZ2 LYS 48 HZ2 LYS 48 -7.624 -11.972 -8.178 398 HZ3 LYS 48 HZ3 LYS 48 -6.474 -10.823 -8.642 399 H ASN 49 H ASN 49 -8.257 -8.847 -4.018 400 HA ASN 49 HA ASN 49 -7.400 -7.431 -6.262 401 HB2 ASN 49 HB2 ASN 49 -9.721 -8.174 -5.917 402 HB3 ASN 49 HB3 ASN 49 -9.908 -7.071 -4.561 403 HD21 ASN 49 HD21 ASN 49 -11.621 -5.948 -5.440 404 HD22 ASN 49 HD22 ASN 49 -11.487 -4.939 -6.837 405 H MET 50 H MET 50 -8.143 -6.245 -3.006 406 HA MET 50 HA MET 50 -7.704 -3.492 -3.404 407 HB2 MET 50 HB2 MET 50 -7.612 -5.163 -0.870 408 HB3 MET 50 HB3 MET 50 -7.605 -3.400 -0.891 409 HG2 MET 50 HG2 MET 50 -9.808 -5.081 -2.100 410 HG3 MET 50 HG3 MET 50 -9.843 -4.441 -0.459 411 HE1 MET 50 HE1 MET 50 -8.590 -1.506 -0.742 412 HE2 MET 50 HE2 MET 50 -10.048 -1.920 0.163 413 HE3 MET 50 HE3 MET 50 -10.077 -0.594 -1.004 414 H ILE 51 H ILE 51 -5.451 -6.078 -2.590 415 HA ILE 51 HA ILE 51 -3.202 -4.453 -1.871 416 HB ILE 51 HB ILE 51 -3.288 -7.312 -2.951 417 HG12 ILE 51 HG12 ILE 51 -3.025 -6.430 -0.033 418 HG13 ILE 51 HG13 ILE 51 -4.558 -6.860 -0.775 419 HG21 ILE 51 HG21 ILE 51 -1.032 -7.600 -1.960 420 HG22 ILE 51 HG22 ILE 51 -1.004 -5.892 -1.520 421 HG23 ILE 51 HG23 ILE 51 -1.037 -6.363 -3.217 422 HD11 ILE 51 HD11 ILE 51 -3.748 -9.115 -1.181 423 HD12 ILE 51 HD12 ILE 51 -3.650 -8.684 0.527 424 HD13 ILE 51 HD13 ILE 51 -2.192 -8.694 -0.463 425 H GLU 52 H GLU 52 -4.228 -6.043 -4.896 426 HA GLU 52 HA GLU 52 -2.037 -5.266 -6.526 427 HB2 GLU 52 HB2 GLU 52 -4.869 -6.012 -7.363 428 HB3 GLU 52 HB3 GLU 52 -3.479 -5.937 -8.442 429 HG2 GLU 52 HG2 GLU 52 -2.414 -7.780 -7.144 430 HG3 GLU 52 HG3 GLU 52 -3.860 -7.879 -6.139 431 H LYS 53 H LYS 53 -5.246 -3.782 -5.994 432 HA LYS 53 HA LYS 53 -4.800 -1.658 -7.928 433 HB2 LYS 53 HB2 LYS 53 -6.980 -0.751 -7.237 434 HB3 LYS 53 HB3 LYS 53 -7.077 -2.465 -7.587 435 HG2 LYS 53 HG2 LYS 53 -8.350 -2.436 -5.698 436 HG3 LYS 53 HG3 LYS 53 -6.777 -2.689 -4.963 437 HD2 LYS 53 HD2 LYS 53 -7.702 -1.044 -3.593 438 HD3 LYS 53 HD3 LYS 53 -6.733 -0.077 -4.702 439 HE2 LYS 53 HE2 LYS 53 -9.721 -0.557 -5.005 440 HE3 LYS 53 HE3 LYS 53 -9.019 0.863 -4.237 441 HZ1 LYS 53 HZ1 LYS 53 -9.602 1.367 -6.470 442 HZ2 LYS 53 HZ2 LYS 53 -8.725 0.058 -7.074 443 HZ3 LYS 53 HZ3 LYS 53 -7.917 1.357 -6.358 444 H PHE 54 H PHE 54 -4.252 -2.037 -4.465 445 HA PHE 54 HA PHE 54 -3.639 0.718 -3.954 446 HB2 PHE 54 HB2 PHE 54 -4.107 -0.906 -2.090 447 HB3 PHE 54 HB3 PHE 54 -2.579 -1.710 -2.431 448 HD1 PHE 54 HD2 PHE 54 -4.116 1.416 -1.131 449 HD2 PHE 54 HD1 PHE 54 -0.447 -0.715 -1.696 450 HE1 PHE 54 HE2 PHE 54 -2.945 3.045 0.291 451 HE2 PHE 54 HE1 PHE 54 0.714 0.925 -0.289 452 HZ PHE 54 HZ PHE 54 -0.518 2.811 0.701 453 H ARG 55 H ARG 55 -1.698 -2.071 -5.070 454 HA ARG 55 HA ARG 55 0.823 -0.789 -5.193 455 HB2 ARG 55 HB2 ARG 55 0.898 -3.148 -5.467 456 HB3 ARG 55 HB3 ARG 55 -0.367 -3.152 -6.679 457 HG2 ARG 55 HG2 ARG 55 2.203 -1.788 -7.437 458 HG3 ARG 55 HG3 ARG 55 2.262 -3.541 -7.275 459 HD2 ARG 55 HD2 ARG 55 0.821 -3.894 -9.081 460 HD3 ARG 55 HD3 ARG 55 0.053 -2.318 -8.915 461 HE ARG 55 HE ARG 55 2.791 -2.122 -9.759 462 HH11 ARG 55 HH11 ARG 55 -0.433 -2.687 -10.911 463 HH12 ARG 55 HH12 ARG 55 -0.079 -2.116 -12.504 464 HH21 ARG 55 HH21 ARG 55 3.206 -1.395 -11.834 465 HH22 ARG 55 HH22 ARG 55 1.947 -1.431 -13.023 466 H ASP 56 H ASP 56 -1.815 -1.006 -7.562 467 HA ASP 56 HA ASP 56 -0.527 0.299 -9.725 468 HB2 ASP 56 HB2 ASP 56 -2.551 -1.232 -9.824 469 HB3 ASP 56 HB3 ASP 56 -3.525 0.089 -9.190 470 H GLU 57 H GLU 57 -2.565 1.473 -7.092 471 HA GLU 57 HA GLU 57 -2.608 4.247 -7.739 472 HB2 GLU 57 HB2 GLU 57 -4.171 3.130 -6.125 473 HB3 GLU 57 HB3 GLU 57 -2.830 2.866 -5.022 474 HG2 GLU 57 HG2 GLU 57 -4.144 4.743 -4.253 475 HG3 GLU 57 HG3 GLU 57 -2.563 5.324 -4.778 476 H MET 58 H MET 58 -0.513 2.271 -5.664 477 HA MET 58 HA MET 58 1.030 4.240 -4.447 478 HB2 MET 58 HB2 MET 58 0.902 1.907 -3.651 479 HB3 MET 58 HB3 MET 58 1.780 1.357 -5.077 480 HG2 MET 58 HG2 MET 58 3.224 1.478 -3.098 481 HG3 MET 58 HG3 MET 58 3.757 2.595 -4.361 482 HE1 MET 58 HE1 MET 58 5.140 3.271 -1.931 483 HE2 MET 58 HE2 MET 58 4.698 4.935 -1.542 484 HE3 MET 58 HE3 MET 58 4.999 4.475 -3.219 485 H GLU 59 H GLU 59 1.682 2.368 -7.364 486 HA GLU 59 HA GLU 59 4.262 3.402 -7.913 487 HB2 GLU 59 HB2 GLU 59 3.203 1.207 -8.767 488 HB3 GLU 59 HB3 GLU 59 2.359 2.192 -9.955 489 HG2 GLU 59 HG2 GLU 59 4.564 2.961 -10.842 490 HG3 GLU 59 HG3 GLU 59 5.372 1.903 -9.686 491 H GLN 60 H GLN 60 1.021 4.461 -8.718 492 HA GLN 60 HA GLN 60 1.673 6.395 -10.723 493 HB2 GLN 60 HB2 GLN 60 -0.599 5.257 -10.214 494 HB3 GLN 60 HB3 GLN 60 -0.786 6.412 -8.908 495 HG2 GLN 60 HG2 GLN 60 -0.516 7.146 -11.849 496 HG3 GLN 60 HG3 GLN 60 -2.042 6.968 -11.004 497 HE21 GLN 60 HE21 GLN 60 0.722 8.993 -11.513 498 HE22 GLN 60 HE22 GLN 60 0.132 10.369 -10.655 499 H MET 61 H MET 61 0.856 6.739 -7.215 500 HA MET 61 HA MET 61 1.204 9.603 -7.241 501 HB2 MET 61 HB2 MET 61 0.696 9.475 -4.800 502 HB3 MET 61 HB3 MET 61 -0.504 8.677 -5.806 503 HG2 MET 61 HG2 MET 61 0.570 6.488 -5.256 504 HG3 MET 61 HG3 MET 61 1.640 7.345 -4.142 505 HE1 MET 61 HE1 MET 61 0.707 5.489 -2.340 506 HE2 MET 61 HE2 MET 61 -0.485 4.859 -3.480 507 HE3 MET 61 HE3 MET 61 -0.990 5.384 -1.873 508 H TYR 62 H TYR 62 3.317 6.926 -6.474 509 HA TYR 62 HA TYR 62 5.376 8.376 -5.132 510 HB2 TYR 62 HB2 TYR 62 5.484 6.003 -4.915 511 HB3 TYR 62 HB3 TYR 62 5.334 5.741 -6.648 512 HD1 TYR 62 HD1 TYR 62 7.719 6.927 -3.993 513 HD2 TYR 62 HD2 TYR 62 7.293 5.594 -8.037 514 HE1 TYR 62 HE1 TYR 62 10.148 6.840 -4.227 515 HE2 TYR 62 HE2 TYR 62 9.731 5.507 -8.256 516 HH TYR 62 HH TYR 62 11.808 5.461 -5.822 517 H LYS 63 H LYS 63 4.594 7.963 -8.568 518 HA LYS 63 HA LYS 63 7.065 9.118 -9.527 519 HB2 LYS 63 HB2 LYS 63 4.433 8.564 -10.951 520 HB3 LYS 63 HB3 LYS 63 5.894 9.143 -11.758 521 HG2 LYS 63 HG2 LYS 63 7.109 7.118 -11.049 522 HG3 LYS 63 HG3 LYS 63 5.668 6.540 -10.210 523 HD2 LYS 63 HD2 LYS 63 4.472 6.458 -12.410 524 HD3 LYS 63 HD3 LYS 63 5.974 6.938 -13.211 525 HE2 LYS 63 HE2 LYS 63 7.076 4.894 -12.330 526 HE3 LYS 63 HE3 LYS 63 5.559 4.414 -11.565 527 HZ1 LYS 63 HZ1 LYS 63 4.559 4.351 -13.801 528 HZ2 LYS 63 HZ2 LYS 63 5.823 3.247 -13.614 529 HZ3 LYS 63 HZ3 LYS 63 6.076 4.675 -14.477 530 H ASP 64 H ASP 64 4.112 10.451 -8.341 531 HA ASP 64 HA ASP 64 4.784 13.178 -9.172 532 HB2 ASP 64 HB2 ASP 64 2.613 12.108 -7.312 533 HB3 ASP 64 HB3 ASP 64 2.799 13.807 -7.748 534 H ALA 65 H ALA 65 5.232 11.078 -6.377 535 HA ALA 65 HA ALA 65 6.812 13.168 -4.993 536 HB1 ALA 65 HB1 ALA 65 4.747 11.394 -3.644 537 HB2 ALA 65 HB2 ALA 65 4.569 13.120 -3.968 538 HB3 ALA 65 HB3 ALA 65 5.803 12.558 -2.838 539 HA PRO 66 HA PRO 66 9.260 9.196 -4.901 540 HB2 PRO 66 HB2 PRO 66 11.519 10.018 -6.112 541 HB3 PRO 66 HB3 PRO 66 10.059 9.685 -7.059 542 HG2 PRO 66 HG2 PRO 66 11.175 12.337 -6.157 543 HG3 PRO 66 HG3 PRO 66 10.492 11.887 -7.734 544 HD2 PRO 66 HD2 PRO 66 9.089 13.206 -5.703 545 HD3 PRO 66 HD3 PRO 66 8.329 12.303 -7.032 546 H ASN 67 H ASN 67 8.857 10.258 -2.575 547 HA ASN 67 HA ASN 67 11.100 11.705 -1.419 548 HB2 ASN 67 HB2 ASN 67 8.660 10.570 -0.002 549 HB3 ASN 67 HB3 ASN 67 9.748 11.813 0.616 550 HD21 ASN 67 HD21 ASN 67 6.888 11.938 0.250 551 HD22 ASN 67 HD22 ASN 67 6.594 13.254 -0.825 552 H ALA 68 H ALA 68 12.521 9.806 -2.094 553 HA ALA 68 HA ALA 68 13.775 7.959 -1.740 554 HB1 ALA 68 HB1 ALA 68 14.791 9.734 -0.371 555 HB2 ALA 68 HB2 ALA 68 15.119 8.133 0.296 556 HB3 ALA 68 HB3 ALA 68 13.892 9.165 1.034 557 H VAL 69 H VAL 69 12.348 7.921 1.546 558 HA VAL 69 HA VAL 69 12.298 5.151 1.876 559 HB VAL 69 HB VAL 69 12.128 6.809 3.737 560 HG11 VAL 69 HG11 VAL 69 10.496 8.383 2.775 561 HG12 VAL 69 HG12 VAL 69 9.971 7.833 4.366 562 HG13 VAL 69 HG13 VAL 69 9.218 7.172 2.913 563 HG21 VAL 69 HG21 VAL 69 9.894 4.738 3.757 564 HG22 VAL 69 HG22 VAL 69 10.580 5.520 5.183 565 HG23 VAL 69 HG23 VAL 69 11.580 4.456 4.196 566 H MET 70 H MET 70 9.943 7.211 0.297 567 HA MET 70 HA MET 70 7.671 5.558 0.357 568 HB2 MET 70 HB2 MET 70 7.774 8.034 -0.216 569 HB3 MET 70 HB3 MET 70 8.369 7.590 -1.808 570 HG2 MET 70 HG2 MET 70 6.294 6.513 -2.360 571 HG3 MET 70 HG3 MET 70 5.722 6.645 -0.697 572 HE1 MET 70 HE1 MET 70 3.399 7.680 -1.518 573 HE2 MET 70 HE2 MET 70 3.938 7.520 -3.192 574 HE3 MET 70 HE3 MET 70 3.294 9.058 -2.616 575 H GLU 71 H GLU 71 10.487 5.489 -1.763 576 HA GLU 71 HA GLU 71 9.598 3.654 -3.744 577 HB2 GLU 71 HB2 GLU 71 11.673 4.960 -4.021 578 HB3 GLU 71 HB3 GLU 71 12.390 4.178 -2.618 579 HG2 GLU 71 HG2 GLU 71 13.398 3.209 -4.547 580 HG3 GLU 71 HG3 GLU 71 12.318 1.994 -3.877 581 H GLN 72 H GLN 72 11.106 3.162 -0.552 582 HA GLN 72 HA GLN 72 11.629 0.418 -0.619 583 HB2 GLN 72 HB2 GLN 72 12.500 1.880 1.154 584 HB3 GLN 72 HB3 GLN 72 10.874 2.177 1.755 585 HG2 GLN 72 HG2 GLN 72 10.705 -0.235 2.377 586 HG3 GLN 72 HG3 GLN 72 12.366 -0.462 1.831 587 HE21 GLN 72 HE21 GLN 72 13.056 -1.109 3.873 588 HE22 GLN 72 HE22 GLN 72 13.208 -0.013 5.199 589 H LEU 73 H LEU 73 8.718 2.091 0.595 590 HA LEU 73 HA LEU 73 7.250 -0.198 1.321 591 HB2 LEU 73 HB2 LEU 73 6.353 2.619 0.631 592 HB3 LEU 73 HB3 LEU 73 5.209 1.373 1.094 593 HG LEU 73 HG LEU 73 5.561 2.570 3.087 594 HD11 LEU 73 HD11 LEU 73 7.458 0.213 3.275 595 HD12 LEU 73 HD12 LEU 73 5.701 0.154 3.440 596 HD13 LEU 73 HD13 LEU 73 6.665 1.031 4.624 597 HD21 LEU 73 HD21 LEU 73 7.483 3.929 2.417 598 HD22 LEU 73 HD22 LEU 73 8.559 2.544 2.618 599 HD23 LEU 73 HD23 LEU 73 7.731 3.233 4.018 600 H LEU 74 H LEU 74 7.402 1.542 -1.771 601 HA LEU 74 HA LEU 74 5.335 0.217 -3.158 602 HB2 LEU 74 HB2 LEU 74 6.609 2.332 -3.789 603 HB3 LEU 74 HB3 LEU 74 7.904 1.308 -4.375 604 HG LEU 74 HG LEU 74 5.078 1.134 -5.504 605 HD11 LEU 74 HD11 LEU 74 5.773 3.443 -5.762 606 HD12 LEU 74 HD12 LEU 74 5.780 2.635 -7.326 607 HD13 LEU 74 HD13 LEU 74 7.306 2.940 -6.487 608 HD21 LEU 74 HD21 LEU 74 6.531 -0.760 -6.094 609 HD22 LEU 74 HD22 LEU 74 7.740 0.348 -6.742 610 HD23 LEU 74 HD23 LEU 74 6.156 0.218 -7.510 611 H GLU 75 H GLU 75 8.821 -0.520 -2.960 612 HA GLU 75 HA GLU 75 8.841 -2.805 -4.636 613 HB2 GLU 75 HB2 GLU 75 10.857 -1.501 -4.113 614 HB3 GLU 75 HB3 GLU 75 10.760 -1.976 -2.421 615 HG2 GLU 75 HG2 GLU 75 11.212 -4.309 -3.026 616 HG3 GLU 75 HG3 GLU 75 11.222 -3.887 -4.738 617 H GLU 76 H GLU 76 8.351 -2.451 -1.142 618 HA GLU 76 HA GLU 76 8.325 -5.174 -0.386 619 HB2 GLU 76 HB2 GLU 76 7.005 -2.708 0.793 620 HB3 GLU 76 HB3 GLU 76 6.898 -4.283 1.565 621 HG2 GLU 76 HG2 GLU 76 9.500 -2.830 0.994 622 HG3 GLU 76 HG3 GLU 76 8.638 -2.787 2.533 623 H ILE 77 H ILE 77 5.735 -3.103 -1.714 624 HA ILE 77 HA ILE 77 3.600 -5.014 -1.405 625 HB ILE 77 HB ILE 77 3.739 -2.723 -3.433 626 HG12 ILE 77 HG12 ILE 77 2.502 -2.655 -0.638 627 HG13 ILE 77 HG13 ILE 77 4.079 -1.987 -1.030 628 HG21 ILE 77 HG21 ILE 77 1.335 -4.217 -2.278 629 HG22 ILE 77 HG22 ILE 77 1.939 -4.335 -3.931 630 HG23 ILE 77 HG23 ILE 77 1.244 -2.822 -3.359 631 HD11 ILE 77 HD11 ILE 77 1.465 -1.083 -2.220 632 HD12 ILE 77 HD12 ILE 77 3.058 -0.388 -2.542 633 HD13 ILE 77 HD13 ILE 77 2.357 -0.281 -0.929 634 H GLU 78 H GLU 78 5.944 -4.293 -3.987 635 HA GLU 78 HA GLU 78 5.027 -5.984 -6.029 636 HB2 GLU 78 HB2 GLU 78 6.802 -4.378 -6.407 637 HB3 GLU 78 HB3 GLU 78 7.848 -5.160 -5.238 638 HG2 GLU 78 HG2 GLU 78 7.026 -6.867 -7.543 639 HG3 GLU 78 HG3 GLU 78 8.032 -5.488 -7.961 640 H LYS 79 H LYS 79 6.963 -6.738 -3.160 641 HA LYS 79 HA LYS 79 7.447 -9.494 -3.710 642 HB2 LYS 79 HB2 LYS 79 7.312 -8.167 -0.965 643 HB3 LYS 79 HB3 LYS 79 8.127 -9.677 -1.361 644 HG2 LYS 79 HG2 LYS 79 8.917 -6.875 -2.205 645 HG3 LYS 79 HG3 LYS 79 9.792 -7.951 -1.114 646 HD2 LYS 79 HD2 LYS 79 10.322 -9.459 -2.975 647 HD3 LYS 79 HD3 LYS 79 9.337 -8.495 -4.076 648 HE2 LYS 79 HE2 LYS 79 10.909 -6.557 -3.641 649 HE3 LYS 79 HE3 LYS 79 11.951 -7.681 -2.763 650 HZ1 LYS 79 HZ1 LYS 79 12.081 -9.024 -4.795 651 HZ2 LYS 79 HZ2 LYS 79 12.679 -7.459 -5.035 652 HZ3 LYS 79 HZ3 LYS 79 11.145 -7.875 -5.615 653 H LEU 80 H LEU 80 4.731 -7.789 -2.245 654 HA LEU 80 HA LEU 80 3.388 -10.079 -1.154 655 HB2 LEU 80 HB2 LEU 80 3.091 -7.441 -0.703 656 HB3 LEU 80 HB3 LEU 80 1.862 -7.586 -1.937 657 HG LEU 80 HG LEU 80 0.817 -7.689 0.265 658 HD11 LEU 80 HD11 LEU 80 0.758 -10.471 -0.932 659 HD12 LEU 80 HD12 LEU 80 -0.250 -9.106 -1.416 660 HD13 LEU 80 HD13 LEU 80 -0.418 -9.791 0.198 661 HD21 LEU 80 HD21 LEU 80 2.725 -8.408 1.588 662 HD22 LEU 80 HD22 LEU 80 2.635 -10.027 0.891 663 HD23 LEU 80 HD23 LEU 80 1.328 -9.431 1.916 664 H LEU 81 H LEU 81 3.009 -8.230 -4.233 665 HA LEU 81 HA LEU 81 0.918 -9.861 -5.298 666 HB2 LEU 81 HB2 LEU 81 2.787 -7.834 -6.534 667 HB3 LEU 81 HB3 LEU 81 1.826 -8.856 -7.587 668 HG LEU 81 HG LEU 81 -0.252 -7.987 -6.396 669 HD11 LEU 81 HD11 LEU 81 -0.112 -5.885 -5.157 670 HD12 LEU 81 HD12 LEU 81 1.652 -5.930 -5.248 671 HD13 LEU 81 HD13 LEU 81 0.781 -7.167 -4.339 672 HD21 LEU 81 HD21 LEU 81 0.397 -7.170 -8.617 673 HD22 LEU 81 HD22 LEU 81 1.427 -5.937 -7.884 674 HD23 LEU 81 HD23 LEU 81 -0.324 -5.878 -7.657 675 H LYS 82 H LYS 82 4.423 -10.112 -5.406 676 HA LYS 82 HA LYS 82 4.711 -12.090 -7.404 677 HB2 LYS 82 HB2 LYS 82 6.566 -10.698 -6.497 678 HB3 LYS 82 HB3 LYS 82 6.456 -11.550 -4.961 679 HG2 LYS 82 HG2 LYS 82 7.146 -13.647 -6.063 680 HG3 LYS 82 HG3 LYS 82 7.213 -12.814 -7.620 681 HD2 LYS 82 HD2 LYS 82 8.995 -11.315 -6.707 682 HD3 LYS 82 HD3 LYS 82 8.957 -12.222 -5.192 683 HE2 LYS 82 HE2 LYS 82 9.696 -14.246 -6.352 684 HE3 LYS 82 HE3 LYS 82 9.638 -13.411 -7.904 685 HZ1 LYS 82 HZ1 LYS 82 11.365 -11.905 -7.074 686 HZ2 LYS 82 HZ2 LYS 82 11.881 -13.516 -7.112 687 HZ3 LYS 82 HZ3 LYS 82 11.456 -12.799 -5.640 688 H LYS 83 H LYS 83 4.559 -12.404 -3.850 689 HA LYS 83 HA LYS 83 4.556 -15.274 -3.804 690 HB2 LYS 83 HB2 LYS 83 5.495 -13.857 -2.003 691 HB3 LYS 83 HB3 LYS 83 3.887 -13.252 -1.629 692 HG2 LYS 83 HG2 LYS 83 3.185 -15.507 -0.918 693 HG3 LYS 83 HG3 LYS 83 4.779 -16.144 -1.336 694 HD2 LYS 83 HD2 LYS 83 4.202 -14.050 0.804 695 HD3 LYS 83 HD3 LYS 83 4.573 -15.750 1.101 696 HE2 LYS 83 HE2 LYS 83 6.816 -15.438 0.129 697 HE3 LYS 83 HE3 LYS 83 6.455 -13.744 -0.204 698 HZ1 LYS 83 HZ1 LYS 83 6.292 -13.315 2.138 699 HZ2 LYS 83 HZ2 LYS 83 7.763 -14.100 1.835 700 HZ3 LYS 83 HZ3 LYS 83 6.472 -14.958 2.505 701 H ALA 84 H ALA 84 1.982 -12.872 -3.089 702 HA ALA 84 HA ALA 84 -0.010 -15.032 -2.748 703 HB1 ALA 84 HB1 ALA 84 -0.067 -12.195 -1.690 704 HB2 ALA 84 HB2 ALA 84 0.428 -13.627 -0.785 705 HB3 ALA 84 HB3 ALA 84 -1.241 -13.470 -1.333 706 H GLY 85 H GLY 85 0.669 -12.284 -4.781 707 HA2 GLY 85 HA2 GLY 85 -2.083 -11.678 -5.482 708 HA3 GLY 85 HA3 GLY 85 -0.641 -10.942 -6.150 709 H SER 86 H SER 86 -2.211 -14.161 -6.152 710 HA SER 86 HA SER 86 -2.835 -15.622 -7.755 711 HB2 SER 86 HB2 SER 86 -3.157 -13.083 -9.388 712 HB3 SER 86 HB3 SER 86 -3.829 -14.651 -9.844 713 HG SER 86 HG SER 86 -5.230 -13.116 -8.644 714 H LEU 87 H LEU 87 0.117 -14.906 -7.720 715 HA LEU 87 HA LEU 87 2.058 -15.389 -8.794 716 HB2 LEU 87 HB2 LEU 87 0.285 -17.275 -10.393 717 HB3 LEU 87 HB3 LEU 87 2.039 -17.353 -10.337 718 HG LEU 87 HG LEU 87 0.212 -17.794 -7.936 719 HD11 LEU 87 HD11 LEU 87 0.806 -20.175 -8.114 720 HD12 LEU 87 HD12 LEU 87 1.685 -19.849 -9.609 721 HD13 LEU 87 HD13 LEU 87 -0.062 -19.610 -9.541 722 HD21 LEU 87 HD21 LEU 87 2.399 -16.912 -7.262 723 HD22 LEU 87 HD22 LEU 87 3.220 -18.159 -8.208 724 HD23 LEU 87 HD23 LEU 87 2.253 -18.608 -6.803 725 H VAL 88 H VAL 88 0.785 -13.059 -9.740 726 HA VAL 88 HA VAL 88 0.624 -12.814 -12.542 727 HB VAL 88 HB VAL 88 0.940 -10.323 -12.179 728 HG11 VAL 88 HG11 VAL 88 -1.294 -11.307 -12.094 729 HG12 VAL 88 HG12 VAL 88 -1.165 -9.995 -10.922 730 HG13 VAL 88 HG13 VAL 88 -1.102 -11.675 -10.378 731 HG21 VAL 88 HG21 VAL 88 2.481 -10.376 -10.252 732 HG22 VAL 88 HG22 VAL 88 1.225 -11.083 -9.235 733 HG23 VAL 88 HG23 VAL 88 1.037 -9.441 -9.861 734 HA PRO 89 HA PRO 89 5.079 -12.925 -13.505 735 HB2 PRO 89 HB2 PRO 89 4.923 -13.089 -16.177 736 HB3 PRO 89 HB3 PRO 89 4.286 -14.393 -15.162 737 HG2 PRO 89 HG2 PRO 89 2.796 -12.190 -16.577 738 HG3 PRO 89 HG3 PRO 89 2.375 -13.911 -16.429 739 HD2 PRO 89 HD2 PRO 89 1.365 -11.840 -14.809 740 HD3 PRO 89 HD3 PRO 89 1.312 -13.570 -14.406 741 H ARG 90 H ARG 90 4.006 -10.364 -12.800 742 HA ARG 90 HA ARG 90 4.156 -8.131 -12.965 743 HB2 ARG 90 HB2 ARG 90 6.661 -8.792 -14.570 744 HB3 ARG 90 HB3 ARG 90 6.221 -7.155 -14.111 745 HG2 ARG 90 HG2 ARG 90 7.844 -7.829 -12.534 746 HG3 ARG 90 HG3 ARG 90 6.304 -7.928 -11.685 747 HD2 ARG 90 HD2 ARG 90 7.740 -9.853 -11.156 748 HD3 ARG 90 HD3 ARG 90 6.276 -10.375 -12.001 749 HE ARG 90 HE ARG 90 8.549 -9.912 -13.735 750 HH11 ARG 90 HH11 ARG 90 6.919 -12.308 -11.837 751 HH12 ARG 90 HH12 ARG 90 7.641 -13.620 -12.699 752 HH21 ARG 90 HH21 ARG 90 9.428 -11.614 -14.820 753 HH22 ARG 90 HH22 ARG 90 9.043 -13.230 -14.346 754 H GLY 91 H GLY 91 4.543 -6.205 -14.738 755 HA2 GLY 91 HA2 GLY 91 3.103 -6.911 -17.257 756 HA3 GLY 91 HA3 GLY 91 2.906 -5.382 -16.408 757 H SER 92 H SER 92 6.078 -6.659 -16.460 758 HA SER 92 HA SER 92 8.067 -5.861 -17.135 759 HB2 SER 92 HB2 SER 92 7.396 -6.641 -19.376 760 HB3 SER 92 HB3 SER 92 6.612 -5.097 -19.700 761 HG SER 92 HG SER 92 8.813 -5.396 -20.558 762 H TYR 93 H TYR 93 9.301 -3.820 -17.901 763 HA TYR 93 HA TYR 93 7.924 -1.295 -17.290 764 HB2 TYR 93 HB2 TYR 93 8.998 -2.453 -15.168 765 HB3 TYR 93 HB3 TYR 93 10.526 -1.903 -15.845 766 HD1 TYR 93 HD2 TYR 93 7.168 -0.701 -14.688 767 HD2 TYR 93 HD1 TYR 93 11.240 0.370 -15.453 768 HE1 TYR 93 HE2 TYR 93 6.796 1.485 -13.627 769 HE2 TYR 93 HE1 TYR 93 10.860 2.550 -14.396 770 HH TYR 93 HH TYR 93 9.014 4.058 -13.890 771 H LEU 94 H LEU 94 9.274 -2.727 -19.597 772 HA LEU 94 HA LEU 94 10.643 -2.428 -21.351 773 HB2 LEU 94 HB2 LEU 94 10.384 0.491 -20.539 774 HB3 LEU 94 HB3 LEU 94 11.269 -0.008 -21.968 775 HG LEU 94 HG LEU 94 9.142 -1.023 -22.880 776 HD11 LEU 94 HD11 LEU 94 6.974 -0.410 -21.937 777 HD12 LEU 94 HD12 LEU 94 7.764 0.385 -20.573 778 HD13 LEU 94 HD13 LEU 94 7.908 -1.361 -20.782 779 HD21 LEU 94 HD21 LEU 94 9.889 1.195 -23.616 780 HD22 LEU 94 HD22 LEU 94 9.009 1.955 -22.289 781 HD23 LEU 94 HD23 LEU 94 8.130 1.112 -23.567 782 H GLU 95 H GLU 95 12.513 -3.460 -21.052 783 HA GLU 95 HA GLU 95 14.310 -3.115 -18.933 784 HB2 GLU 95 HB2 GLU 95 14.747 -4.477 -21.622 785 HB3 GLU 95 HB3 GLU 95 15.817 -4.645 -20.232 786 HG2 GLU 95 HG2 GLU 95 14.006 -5.672 -18.926 787 HG3 GLU 95 HG3 GLU 95 12.895 -5.450 -20.275 788 H HIS 96 H HIS 96 15.501 -1.364 -18.549 789 HA HIS 96 HA HIS 96 16.172 0.640 -20.441 790 HB2 HIS 96 HB2 HIS 96 17.285 0.247 -17.631 791 HB3 HIS 96 HB3 HIS 96 17.384 1.728 -18.579 792 HD1 HIS 96 HD1 HIS 96 14.181 1.280 -19.475 793 HD2 HIS 96 HD2 HIS 96 15.818 1.700 -15.674 794 HE1 HIS 96 HE1 HIS 96 12.312 2.078 -18.012 795 HE2 HIS 96 HE2 HIS 96 13.313 2.304 -15.726 796 H HIS 97 H HIS 97 18.481 1.549 -20.618 797 HA HIS 97 HA HIS 97 19.979 -0.224 -22.187 798 HB2 HIS 97 HB2 HIS 97 20.724 2.484 -21.036 799 HB3 HIS 97 HB3 HIS 97 21.746 1.616 -22.180 800 HD1 HIS 97 HD1 HIS 97 19.126 4.083 -22.096 801 HD2 HIS 97 HD2 HIS 97 20.251 1.052 -24.712 802 HE1 HIS 97 HE1 HIS 97 18.051 4.645 -24.289 803 HE2 HIS 97 HE2 HIS 97 18.900 2.908 -25.892 804 H HIS 98 H HIS 98 21.255 -1.837 -21.643 805 HA HIS 98 HA HIS 98 22.449 -2.217 -19.024 806 HB2 HIS 98 HB2 HIS 98 23.262 -4.364 -19.984 807 HB3 HIS 98 HB3 HIS 98 21.547 -4.137 -20.300 808 HD1 HIS 98 HD1 HIS 98 24.895 -4.101 -22.060 809 HD2 HIS 98 HD2 HIS 98 20.851 -4.076 -23.014 810 HE1 HIS 98 HE1 HIS 98 24.788 -4.439 -24.537 811 HE2 HIS 98 HE2 HIS 98 22.335 -4.600 -25.055 812 H HIS 99 H HIS 99 23.414 -0.351 -21.600 813 HA HIS 99 HA HIS 99 26.049 -0.882 -22.194 814 HB2 HIS 99 HB2 HIS 99 24.667 0.786 -23.381 815 HB3 HIS 99 HB3 HIS 99 24.702 1.838 -21.971 816 HD1 HIS 99 HD1 HIS 99 26.683 3.405 -21.753 817 HD2 HIS 99 HD2 HIS 99 27.207 0.591 -24.771 818 HE1 HIS 99 HE1 HIS 99 28.780 4.079 -22.945 819 HE2 HIS 99 HE2 HIS 99 29.087 2.361 -24.752 820 H HIS 100 H HIS 100 27.824 -1.032 -20.960 821 HA HIS 100 HA HIS 100 28.479 0.916 -18.903 822 HB2 HIS 100 HB2 HIS 100 28.574 -0.589 -17.033 823 HB3 HIS 100 HB3 HIS 100 26.999 -0.842 -17.763 824 HD1 HIS 100 HD1 HIS 100 30.044 -2.615 -16.753 825 HD2 HIS 100 HD2 HIS 100 26.845 -3.368 -19.295 826 HE1 HIS 100 HE1 HIS 100 30.095 -5.082 -17.197 827 HE2 HIS 100 HE2 HIS 100 28.197 -5.501 -18.785 828 H HIS 101 H HIS 101 30.698 0.402 -17.916 829 HA HIS 101 HA HIS 101 32.412 -1.353 -19.529 830 HB2 HIS 101 HB2 HIS 101 32.439 0.899 -20.664 831 HB3 HIS 101 HB3 HIS 101 33.078 1.608 -19.183 832 HD1 HIS 101 HD1 HIS 101 35.570 1.147 -18.632 833 HD2 HIS 101 HD2 HIS 101 34.292 -0.612 -22.172 834 HE1 HIS 101 HE1 HIS 101 37.654 0.398 -19.804 835 HE2 HIS 101 HE2 HIS 101 36.869 -0.577 -21.976 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -9.834 -16.759 8.198 2 H2 MET 1 H2 MET 1 -8.505 -16.152 9.056 3 H3 MET 1 H3 MET 1 -9.454 -17.378 9.725 4 HA MET 1 HA MET 1 -8.784 -18.914 8.033 5 HB2 MET 1 HB2 MET 1 -6.955 -18.257 6.424 6 HB3 MET 1 HB3 MET 1 -8.473 -17.416 6.159 7 HG2 MET 1 HG2 MET 1 -6.112 -16.217 7.618 8 HG3 MET 1 HG3 MET 1 -6.445 -15.980 5.910 9 HE1 MET 1 HE1 MET 1 -9.655 -13.767 5.927 10 HE2 MET 1 HE2 MET 1 -9.496 -15.495 5.610 11 HE3 MET 1 HE3 MET 1 -8.308 -14.365 4.957 12 H GLN 2 H GLN 2 -7.456 -20.376 8.941 13 HA GLN 2 HA GLN 2 -5.610 -19.678 11.071 14 HB2 GLN 2 HB2 GLN 2 -5.311 -22.112 11.321 15 HB3 GLN 2 HB3 GLN 2 -7.020 -21.707 11.214 16 HG2 GLN 2 HG2 GLN 2 -7.038 -22.413 8.839 17 HG3 GLN 2 HG3 GLN 2 -5.334 -22.841 8.953 18 HE21 GLN 2 HE21 GLN 2 -8.579 -23.750 9.835 19 HE22 GLN 2 HE22 GLN 2 -8.198 -25.340 10.385 20 H GLU 3 H GLU 3 -5.386 -20.188 7.696 21 HA GLU 3 HA GLU 3 -2.711 -21.141 7.432 22 HB2 GLU 3 HB2 GLU 3 -4.542 -21.480 5.749 23 HB3 GLU 3 HB3 GLU 3 -4.535 -19.756 5.412 24 HG2 GLU 3 HG2 GLU 3 -3.391 -20.974 3.643 25 HG3 GLU 3 HG3 GLU 3 -2.251 -19.935 4.498 26 H GLU 4 H GLU 4 -0.974 -19.964 6.288 27 HA GLU 4 HA GLU 4 0.059 -17.638 7.267 28 HB2 GLU 4 HB2 GLU 4 1.323 -19.245 5.924 29 HB3 GLU 4 HB3 GLU 4 0.387 -18.849 4.495 30 HG2 GLU 4 HG2 GLU 4 2.630 -17.879 4.385 31 HG3 GLU 4 HG3 GLU 4 1.389 -16.627 4.405 32 H ARG 5 H ARG 5 -2.569 -17.820 4.965 33 HA ARG 5 HA ARG 5 -2.475 -15.445 3.562 34 HB2 ARG 5 HB2 ARG 5 -4.178 -17.252 3.258 35 HB3 ARG 5 HB3 ARG 5 -4.955 -16.755 4.755 36 HG2 ARG 5 HG2 ARG 5 -5.362 -14.484 3.670 37 HG3 ARG 5 HG3 ARG 5 -4.793 -15.189 2.156 38 HD2 ARG 5 HD2 ARG 5 -7.214 -16.064 3.771 39 HD3 ARG 5 HD3 ARG 5 -7.226 -15.237 2.209 40 HE ARG 5 HE ARG 5 -5.806 -17.522 1.745 41 HH11 ARG 5 HH11 ARG 5 -9.018 -16.899 2.891 42 HH12 ARG 5 HH12 ARG 5 -9.613 -18.420 2.333 43 HH21 ARG 5 HH21 ARG 5 -6.592 -19.448 1.068 44 HH22 ARG 5 HH22 ARG 5 -8.259 -19.836 1.302 45 H LYS 6 H LYS 6 -3.541 -15.914 6.940 46 HA LYS 6 HA LYS 6 -4.553 -13.274 7.365 47 HB2 LYS 6 HB2 LYS 6 -5.123 -15.305 8.765 48 HB3 LYS 6 HB3 LYS 6 -3.505 -15.240 9.451 49 HG2 LYS 6 HG2 LYS 6 -5.062 -14.242 11.010 50 HG3 LYS 6 HG3 LYS 6 -4.020 -12.973 10.362 51 HD2 LYS 6 HD2 LYS 6 -5.827 -12.297 8.793 52 HD3 LYS 6 HD3 LYS 6 -6.866 -13.562 9.457 53 HE2 LYS 6 HE2 LYS 6 -6.757 -12.453 11.677 54 HE3 LYS 6 HE3 LYS 6 -5.766 -11.173 10.975 55 HZ1 LYS 6 HZ1 LYS 6 -8.050 -10.482 11.112 56 HZ2 LYS 6 HZ2 LYS 6 -8.564 -11.835 10.242 57 HZ3 LYS 6 HZ3 LYS 6 -7.623 -10.654 9.485 58 H LYS 7 H LYS 7 -1.432 -14.822 8.089 59 HA LYS 7 HA LYS 7 -0.155 -12.547 9.265 60 HB2 LYS 7 HB2 LYS 7 0.410 -15.277 9.101 61 HB3 LYS 7 HB3 LYS 7 1.629 -14.606 8.040 62 HG2 LYS 7 HG2 LYS 7 1.206 -13.850 10.945 63 HG3 LYS 7 HG3 LYS 7 2.456 -14.934 10.338 64 HD2 LYS 7 HD2 LYS 7 3.428 -13.041 9.039 65 HD3 LYS 7 HD3 LYS 7 2.198 -11.968 9.712 66 HE2 LYS 7 HE2 LYS 7 3.081 -12.347 11.978 67 HE3 LYS 7 HE3 LYS 7 4.271 -13.483 11.339 68 HZ1 LYS 7 HZ1 LYS 7 4.114 -10.598 10.664 69 HZ2 LYS 7 HZ2 LYS 7 5.262 -11.688 10.081 70 HZ3 LYS 7 HZ3 LYS 7 5.227 -11.299 11.723 71 H LEU 8 H LEU 8 -0.547 -13.686 6.018 72 HA LEU 8 HA LEU 8 1.350 -12.140 4.590 73 HB2 LEU 8 HB2 LEU 8 0.019 -14.210 3.857 74 HB3 LEU 8 HB3 LEU 8 -1.360 -13.153 3.645 75 HG LEU 8 HG LEU 8 0.007 -11.884 1.902 76 HD11 LEU 8 HD11 LEU 8 1.951 -13.028 0.905 77 HD12 LEU 8 HD12 LEU 8 1.883 -14.265 2.163 78 HD13 LEU 8 HD13 LEU 8 2.258 -12.593 2.585 79 HD21 LEU 8 HD21 LEU 8 -0.396 -13.564 0.136 80 HD22 LEU 8 HD22 LEU 8 -1.745 -13.487 1.261 81 HD23 LEU 8 HD23 LEU 8 -0.592 -14.820 1.359 82 H LEU 9 H LEU 9 -2.057 -11.628 5.480 83 HA LEU 9 HA LEU 9 -2.424 -8.996 4.445 84 HB2 LEU 9 HB2 LEU 9 -3.800 -10.415 6.759 85 HB3 LEU 9 HB3 LEU 9 -4.359 -8.911 6.042 86 HG LEU 9 HG LEU 9 -4.171 -11.547 4.548 87 HD11 LEU 9 HD11 LEU 9 -6.611 -11.677 4.724 88 HD12 LEU 9 HD12 LEU 9 -6.633 -10.225 5.727 89 HD13 LEU 9 HD13 LEU 9 -5.857 -11.700 6.320 90 HD21 LEU 9 HD21 LEU 9 -3.971 -9.614 3.054 91 HD22 LEU 9 HD22 LEU 9 -5.446 -8.915 3.728 92 HD23 LEU 9 HD23 LEU 9 -5.518 -10.426 2.819 93 H GLU 10 H GLU 10 -1.109 -10.238 7.470 94 HA GLU 10 HA GLU 10 -1.104 -7.860 9.011 95 HB2 GLU 10 HB2 GLU 10 -0.669 -10.395 9.677 96 HB3 GLU 10 HB3 GLU 10 1.014 -10.015 9.339 97 HG2 GLU 10 HG2 GLU 10 0.602 -9.822 11.713 98 HG3 GLU 10 HG3 GLU 10 0.915 -8.213 11.062 99 H LYS 11 H LYS 11 1.322 -9.309 6.855 100 HA LYS 11 HA LYS 11 3.363 -7.399 6.880 101 HB2 LYS 11 HB2 LYS 11 3.729 -9.454 5.690 102 HB3 LYS 11 HB3 LYS 11 2.284 -9.245 4.722 103 HG2 LYS 11 HG2 LYS 11 3.972 -8.874 3.174 104 HG3 LYS 11 HG3 LYS 11 3.548 -7.233 3.637 105 HD2 LYS 11 HD2 LYS 11 5.895 -8.750 4.831 106 HD3 LYS 11 HD3 LYS 11 6.030 -7.764 3.382 107 HE2 LYS 11 HE2 LYS 11 5.274 -5.786 4.717 108 HE3 LYS 11 HE3 LYS 11 5.308 -6.798 6.163 109 HZ1 LYS 11 HZ1 LYS 11 7.607 -6.047 4.435 110 HZ2 LYS 11 HZ2 LYS 11 7.697 -7.224 5.643 111 HZ3 LYS 11 HZ3 LYS 11 7.350 -5.624 6.051 112 H LEU 12 H LEU 12 0.451 -7.526 4.810 113 HA LEU 12 HA LEU 12 0.861 -5.269 3.230 114 HB2 LEU 12 HB2 LEU 12 -0.791 -7.092 2.844 115 HB3 LEU 12 HB3 LEU 12 -1.766 -6.500 4.167 116 HG LEU 12 HG LEU 12 -2.596 -5.991 1.797 117 HD11 LEU 12 HD11 LEU 12 -2.260 -3.607 3.624 118 HD12 LEU 12 HD12 LEU 12 -3.535 -4.825 3.712 119 HD13 LEU 12 HD13 LEU 12 -3.429 -3.762 2.310 120 HD21 LEU 12 HD21 LEU 12 -0.458 -5.375 0.756 121 HD22 LEU 12 HD22 LEU 12 -0.351 -3.943 1.784 122 HD23 LEU 12 HD23 LEU 12 -1.644 -4.080 0.592 123 H GLU 13 H GLU 13 -1.030 -5.491 6.248 124 HA GLU 13 HA GLU 13 -1.803 -2.823 6.562 125 HB2 GLU 13 HB2 GLU 13 -1.297 -5.035 8.580 126 HB3 GLU 13 HB3 GLU 13 -1.996 -3.485 9.035 127 HG2 GLU 13 HG2 GLU 13 -3.205 -5.307 6.944 128 HG3 GLU 13 HG3 GLU 13 -3.634 -5.366 8.650 129 H LYS 14 H LYS 14 1.185 -4.437 7.630 130 HA LYS 14 HA LYS 14 2.318 -2.340 9.144 131 HB2 LYS 14 HB2 LYS 14 3.068 -4.839 8.889 132 HB3 LYS 14 HB3 LYS 14 3.978 -4.294 7.493 133 HG2 LYS 14 HG2 LYS 14 4.370 -3.129 10.273 134 HG3 LYS 14 HG3 LYS 14 5.257 -4.532 9.697 135 HD2 LYS 14 HD2 LYS 14 5.358 -1.751 8.464 136 HD3 LYS 14 HD3 LYS 14 6.580 -2.444 9.528 137 HE2 LYS 14 HE2 LYS 14 6.961 -4.247 7.826 138 HE3 LYS 14 HE3 LYS 14 5.830 -3.421 6.753 139 HZ1 LYS 14 HZ1 LYS 14 8.445 -2.410 7.733 140 HZ2 LYS 14 HZ2 LYS 14 7.325 -1.447 6.915 141 HZ3 LYS 14 HZ3 LYS 14 8.015 -2.779 6.135 142 H ILE 15 H ILE 15 2.564 -3.154 5.673 143 HA ILE 15 HA ILE 15 4.351 -1.142 4.831 144 HB ILE 15 HB ILE 15 2.083 -2.377 3.201 145 HG12 ILE 15 HG12 ILE 15 4.972 -3.364 3.368 146 HG13 ILE 15 HG13 ILE 15 3.652 -4.064 4.297 147 HG21 ILE 15 HG21 ILE 15 3.510 -1.858 1.224 148 HG22 ILE 15 HG22 ILE 15 4.660 -1.039 2.280 149 HG23 ILE 15 HG23 ILE 15 3.026 -0.401 2.093 150 HD11 ILE 15 HD11 ILE 15 2.532 -4.700 2.213 151 HD12 ILE 15 HD12 ILE 15 4.145 -5.398 2.357 152 HD13 ILE 15 HD13 ILE 15 3.876 -4.018 1.291 153 H LEU 16 H LEU 16 0.760 -1.187 4.763 154 HA LEU 16 HA LEU 16 0.323 1.402 3.783 155 HB2 LEU 16 HB2 LEU 16 -1.359 -0.538 5.359 156 HB3 LEU 16 HB3 LEU 16 -1.946 1.105 5.165 157 HG LEU 16 HG LEU 16 -1.990 0.868 2.726 158 HD11 LEU 16 HD11 LEU 16 -0.976 -1.964 3.088 159 HD12 LEU 16 HD12 LEU 16 -0.071 -0.622 2.387 160 HD13 LEU 16 HD13 LEU 16 -1.509 -1.231 1.571 161 HD21 LEU 16 HD21 LEU 16 -3.794 -0.790 2.512 162 HD22 LEU 16 HD22 LEU 16 -3.989 0.178 3.971 163 HD23 LEU 16 HD23 LEU 16 -3.371 -1.470 4.087 164 H ASP 17 H ASP 17 1.044 0.348 7.068 165 HA ASP 17 HA ASP 17 0.486 2.816 8.395 166 HB2 ASP 17 HB2 ASP 17 0.730 0.613 9.570 167 HB3 ASP 17 HB3 ASP 17 2.450 0.624 9.204 168 H GLU 18 H GLU 18 3.447 1.433 6.972 169 HA GLU 18 HA GLU 18 5.286 3.493 7.525 170 HB2 GLU 18 HB2 GLU 18 5.278 1.768 5.012 171 HB3 GLU 18 HB3 GLU 18 6.666 2.562 5.733 172 HG2 GLU 18 HG2 GLU 18 5.129 0.307 7.031 173 HG3 GLU 18 HG3 GLU 18 6.566 0.084 6.047 174 H VAL 19 H VAL 19 3.009 3.070 4.832 175 HA VAL 19 HA VAL 19 4.010 5.219 3.216 176 HB VAL 19 HB VAL 19 1.316 3.796 2.956 177 HG11 VAL 19 HG11 VAL 19 2.911 5.375 0.904 178 HG12 VAL 19 HG12 VAL 19 1.414 5.892 1.679 179 HG13 VAL 19 HG13 VAL 19 1.406 4.506 0.590 180 HG21 VAL 19 HG21 VAL 19 3.950 3.091 1.594 181 HG22 VAL 19 HG22 VAL 19 2.391 2.311 1.308 182 HG23 VAL 19 HG23 VAL 19 3.176 2.162 2.877 183 H THR 20 H THR 20 1.121 4.899 5.343 184 HA THR 20 HA THR 20 0.095 7.530 4.852 185 HB THR 20 HB THR 20 -1.342 7.168 6.885 186 HG1 THR 20 HG1 THR 20 0.026 4.661 7.080 187 HG21 THR 20 HG21 THR 20 -1.269 4.796 4.987 188 HG22 THR 20 HG22 THR 20 -2.111 6.321 4.701 189 HG23 THR 20 HG23 THR 20 -2.630 5.257 6.010 190 H ASP 21 H ASP 21 2.305 6.217 7.314 191 HA ASP 21 HA ASP 21 2.534 8.621 8.856 192 HB2 ASP 21 HB2 ASP 21 3.142 6.353 9.727 193 HB3 ASP 21 HB3 ASP 21 4.516 6.308 8.629 194 H GLY 22 H GLY 22 4.422 7.228 6.173 195 HA2 GLY 22 HA2 GLY 22 6.326 9.389 5.945 196 HA3 GLY 22 HA3 GLY 22 6.048 8.098 4.787 197 H ALA 23 H ALA 23 4.855 8.496 2.980 198 HA ALA 23 HA ALA 23 3.700 9.503 1.330 199 HB1 ALA 23 HB1 ALA 23 2.277 10.934 3.581 200 HB2 ALA 23 HB2 ALA 23 1.895 9.320 2.983 201 HB3 ALA 23 HB3 ALA 23 1.674 10.722 1.935 202 HA PRO 24 HA PRO 24 5.352 13.682 0.408 203 HB2 PRO 24 HB2 PRO 24 3.662 13.824 -1.992 204 HB3 PRO 24 HB3 PRO 24 5.411 13.607 -1.888 205 HG2 PRO 24 HG2 PRO 24 3.725 11.624 -2.741 206 HG3 PRO 24 HG3 PRO 24 5.265 11.298 -1.924 207 HD2 PRO 24 HD2 PRO 24 2.476 11.307 -0.754 208 HD3 PRO 24 HD3 PRO 24 3.790 10.126 -0.526 209 H ASP 25 H ASP 25 4.067 14.317 2.350 210 HA ASP 25 HA ASP 25 2.505 15.388 3.558 211 HB2 ASP 25 HB2 ASP 25 2.392 17.863 2.985 212 HB3 ASP 25 HB3 ASP 25 3.985 17.166 3.192 213 H GLU 26 H GLU 26 1.329 16.775 0.434 214 HA GLU 26 HA GLU 26 -1.378 16.781 1.429 215 HB2 GLU 26 HB2 GLU 26 -1.973 17.802 -0.739 216 HB3 GLU 26 HB3 GLU 26 -0.621 18.627 0.025 217 HG2 GLU 26 HG2 GLU 26 0.958 17.611 -1.500 218 HG3 GLU 26 HG3 GLU 26 -0.293 16.569 -2.176 219 H ALA 27 H ALA 27 0.452 14.701 -0.761 220 HA ALA 27 HA ALA 27 -1.753 13.234 -1.830 221 HB1 ALA 27 HB1 ALA 27 1.151 12.386 -1.576 222 HB2 ALA 27 HB2 ALA 27 0.455 13.285 -2.925 223 HB3 ALA 27 HB3 ALA 27 -0.068 11.630 -2.609 224 H ARG 28 H ARG 28 -0.374 13.240 1.286 225 HA ARG 28 HA ARG 28 -0.563 10.607 2.180 226 HB2 ARG 28 HB2 ARG 28 0.467 12.501 3.458 227 HB3 ARG 28 HB3 ARG 28 -1.141 13.132 3.784 228 HG2 ARG 28 HG2 ARG 28 -1.618 10.865 4.931 229 HG3 ARG 28 HG3 ARG 28 0.124 10.589 4.849 230 HD2 ARG 28 HD2 ARG 28 -0.489 11.495 7.037 231 HD3 ARG 28 HD3 ARG 28 0.491 12.675 6.155 232 HE ARG 28 HE ARG 28 -2.291 13.109 5.714 233 HH11 ARG 28 HH11 ARG 28 0.117 13.612 8.157 234 HH12 ARG 28 HH12 ARG 28 -0.699 14.988 8.807 235 HH21 ARG 28 HH21 ARG 28 -3.294 14.848 6.559 236 HH22 ARG 28 HH22 ARG 28 -2.613 15.673 7.914 237 H GLU 29 H GLU 29 -3.097 13.157 2.182 238 HA GLU 29 HA GLU 29 -5.008 11.643 3.610 239 HB2 GLU 29 HB2 GLU 29 -6.680 13.351 2.841 240 HB3 GLU 29 HB3 GLU 29 -5.260 13.995 3.641 241 HG2 GLU 29 HG2 GLU 29 -5.775 15.475 1.867 242 HG3 GLU 29 HG3 GLU 29 -4.333 14.587 1.384 243 H ARG 30 H ARG 30 -4.328 11.721 0.133 244 HA ARG 30 HA ARG 30 -6.463 10.188 -0.855 245 HB2 ARG 30 HB2 ARG 30 -3.509 10.178 -1.608 246 HB3 ARG 30 HB3 ARG 30 -4.705 9.253 -2.499 247 HG2 ARG 30 HG2 ARG 30 -4.632 12.270 -2.237 248 HG3 ARG 30 HG3 ARG 30 -4.133 11.326 -3.642 249 HD2 ARG 30 HD2 ARG 30 -6.278 11.917 -4.299 250 HD3 ARG 30 HD3 ARG 30 -6.613 10.376 -3.491 251 HE ARG 30 HE ARG 30 -6.820 12.510 -1.634 252 HH11 ARG 30 HH11 ARG 30 -8.578 11.162 -4.306 253 HH12 ARG 30 HH12 ARG 30 -10.073 11.849 -3.792 254 HH21 ARG 30 HH21 ARG 30 -8.738 13.359 -1.007 255 HH22 ARG 30 HH22 ARG 30 -10.168 13.074 -1.936 256 H ILE 31 H ILE 31 -3.386 9.187 0.560 257 HA ILE 31 HA ILE 31 -3.686 6.403 0.249 258 HB ILE 31 HB ILE 31 -1.939 7.821 2.323 259 HG12 ILE 31 HG12 ILE 31 -1.205 7.194 -0.571 260 HG13 ILE 31 HG13 ILE 31 -1.671 8.787 -0.000 261 HG21 ILE 31 HG21 ILE 31 -1.552 5.134 0.936 262 HG22 ILE 31 HG22 ILE 31 -2.067 5.366 2.607 263 HG23 ILE 31 HG23 ILE 31 -0.452 5.865 2.111 264 HD11 ILE 31 HD11 ILE 31 0.711 8.622 -0.256 265 HD12 ILE 31 HD12 ILE 31 0.772 7.241 0.834 266 HD13 ILE 31 HD13 ILE 31 0.304 8.827 1.447 267 H GLU 32 H GLU 32 -4.304 8.566 3.023 268 HA GLU 32 HA GLU 32 -4.772 6.636 5.023 269 HB2 GLU 32 HB2 GLU 32 -5.822 9.490 4.811 270 HB3 GLU 32 HB3 GLU 32 -5.846 8.522 6.283 271 HG2 GLU 32 HG2 GLU 32 -3.372 8.449 6.282 272 HG3 GLU 32 HG3 GLU 32 -3.345 9.391 4.795 273 H LYS 33 H LYS 33 -7.038 8.257 2.814 274 HA LYS 33 HA LYS 33 -9.466 7.167 3.793 275 HB2 LYS 33 HB2 LYS 33 -8.714 8.130 0.997 276 HB3 LYS 33 HB3 LYS 33 -10.361 7.762 1.504 277 HG2 LYS 33 HG2 LYS 33 -10.345 9.578 3.115 278 HG3 LYS 33 HG3 LYS 33 -8.633 9.888 2.813 279 HD2 LYS 33 HD2 LYS 33 -9.169 10.545 0.475 280 HD3 LYS 33 HD3 LYS 33 -10.882 10.243 0.785 281 HE2 LYS 33 HE2 LYS 33 -10.356 12.644 0.897 282 HE3 LYS 33 HE3 LYS 33 -10.900 12.045 2.464 283 HZ1 LYS 33 HZ1 LYS 33 -8.600 11.956 3.187 284 HZ2 LYS 33 HZ2 LYS 33 -8.997 13.511 2.660 285 HZ3 LYS 33 HZ3 LYS 33 -8.073 12.499 1.673 286 H LEU 34 H LEU 34 -7.411 6.129 1.045 287 HA LEU 34 HA LEU 34 -8.977 3.877 0.309 288 HB2 LEU 34 HB2 LEU 34 -7.434 5.099 -1.211 289 HB3 LEU 34 HB3 LEU 34 -6.061 4.465 -0.319 290 HG LEU 34 HG LEU 34 -6.666 2.150 -1.044 291 HD11 LEU 34 HD11 LEU 34 -8.388 1.790 -2.781 292 HD12 LEU 34 HD12 LEU 34 -8.871 3.483 -2.655 293 HD13 LEU 34 HD13 LEU 34 -9.091 2.397 -1.282 294 HD21 LEU 34 HD21 LEU 34 -5.059 3.432 -2.386 295 HD22 LEU 34 HD22 LEU 34 -6.373 4.115 -3.347 296 HD23 LEU 34 HD23 LEU 34 -6.032 2.385 -3.418 297 H ALA 35 H ALA 35 -6.200 4.221 2.446 298 HA ALA 35 HA ALA 35 -5.504 1.515 2.841 299 HB1 ALA 35 HB1 ALA 35 -5.159 3.838 4.778 300 HB2 ALA 35 HB2 ALA 35 -4.027 3.380 3.506 301 HB3 ALA 35 HB3 ALA 35 -4.317 2.285 4.857 302 H LYS 36 H LYS 36 -7.933 3.579 4.407 303 HA LYS 36 HA LYS 36 -8.705 1.785 6.471 304 HB2 LYS 36 HB2 LYS 36 -9.320 4.197 6.506 305 HB3 LYS 36 HB3 LYS 36 -10.379 3.952 5.117 306 HG2 LYS 36 HG2 LYS 36 -11.726 2.343 6.474 307 HG3 LYS 36 HG3 LYS 36 -10.701 2.696 7.864 308 HD2 LYS 36 HD2 LYS 36 -11.457 5.068 7.798 309 HD3 LYS 36 HD3 LYS 36 -12.494 4.683 6.419 310 HE2 LYS 36 HE2 LYS 36 -12.724 3.513 9.213 311 HE3 LYS 36 HE3 LYS 36 -13.810 4.696 8.486 312 HZ1 LYS 36 HZ1 LYS 36 -13.401 1.910 7.506 313 HZ2 LYS 36 HZ2 LYS 36 -14.466 3.048 6.846 314 HZ3 LYS 36 HZ3 LYS 36 -14.724 2.459 8.406 315 H ASP 37 H ASP 37 -9.988 2.342 3.160 316 HA ASP 37 HA ASP 37 -12.123 0.516 3.176 317 HB2 ASP 37 HB2 ASP 37 -10.370 1.355 0.817 318 HB3 ASP 37 HB3 ASP 37 -11.920 0.528 0.670 319 H VAL 38 H VAL 38 -8.679 -0.046 2.688 320 HA VAL 38 HA VAL 38 -8.833 -2.778 1.895 321 HB VAL 38 HB VAL 38 -6.532 -1.414 3.376 322 HG11 VAL 38 HG11 VAL 38 -6.322 -3.850 3.437 323 HG12 VAL 38 HG12 VAL 38 -5.112 -3.175 2.352 324 HG13 VAL 38 HG13 VAL 38 -6.552 -3.950 1.690 325 HG21 VAL 38 HG21 VAL 38 -6.944 -1.685 0.367 326 HG22 VAL 38 HG22 VAL 38 -5.522 -0.999 1.163 327 HG23 VAL 38 HG23 VAL 38 -7.084 -0.195 1.300 328 H LYS 39 H LYS 39 -8.468 -1.229 5.109 329 HA LYS 39 HA LYS 39 -8.260 -3.569 6.697 330 HB2 LYS 39 HB2 LYS 39 -9.413 -0.861 7.481 331 HB3 LYS 39 HB3 LYS 39 -8.816 -2.088 8.595 332 HG2 LYS 39 HG2 LYS 39 -6.546 -1.803 7.751 333 HG3 LYS 39 HG3 LYS 39 -7.113 -0.664 6.532 334 HD2 LYS 39 HD2 LYS 39 -7.772 0.929 8.306 335 HD3 LYS 39 HD3 LYS 39 -7.251 -0.220 9.543 336 HE2 LYS 39 HE2 LYS 39 -5.451 1.078 7.468 337 HE3 LYS 39 HE3 LYS 39 -5.554 1.525 9.173 338 HZ1 LYS 39 HZ1 LYS 39 -4.765 -0.651 9.782 339 HZ2 LYS 39 HZ2 LYS 39 -3.677 0.069 8.715 340 HZ3 LYS 39 HZ3 LYS 39 -4.719 -1.139 8.164 341 H ASP 40 H ASP 40 -11.075 -1.700 5.636 342 HA ASP 40 HA ASP 40 -13.123 -3.113 6.956 343 HB2 ASP 40 HB2 ASP 40 -13.100 -1.436 4.414 344 HB3 ASP 40 HB3 ASP 40 -14.579 -2.120 5.077 345 H GLU 41 H GLU 41 -11.396 -3.802 3.927 346 HA GLU 41 HA GLU 41 -12.927 -6.082 3.124 347 HB2 GLU 41 HB2 GLU 41 -10.076 -5.220 2.502 348 HB3 GLU 41 HB3 GLU 41 -10.782 -6.676 1.816 349 HG2 GLU 41 HG2 GLU 41 -11.937 -3.898 1.442 350 HG3 GLU 41 HG3 GLU 41 -10.823 -4.667 0.317 351 H LEU 42 H LEU 42 -9.974 -5.747 5.158 352 HA LEU 42 HA LEU 42 -9.532 -8.494 5.650 353 HB2 LEU 42 HB2 LEU 42 -8.741 -6.007 7.157 354 HB3 LEU 42 HB3 LEU 42 -8.512 -7.562 7.932 355 HG LEU 42 HG LEU 42 -7.132 -8.245 5.862 356 HD11 LEU 42 HD11 LEU 42 -6.104 -6.478 4.545 357 HD12 LEU 42 HD12 LEU 42 -7.094 -5.265 5.361 358 HD13 LEU 42 HD13 LEU 42 -7.855 -6.481 4.334 359 HD21 LEU 42 HD21 LEU 42 -5.085 -7.202 6.709 360 HD22 LEU 42 HD22 LEU 42 -6.104 -7.764 8.031 361 HD23 LEU 42 HD23 LEU 42 -6.040 -6.043 7.641 362 H GLU 43 H GLU 43 -11.929 -6.362 7.018 363 HA GLU 43 HA GLU 43 -12.673 -7.791 9.346 364 HB2 GLU 43 HB2 GLU 43 -14.256 -5.939 7.527 365 HB3 GLU 43 HB3 GLU 43 -14.900 -6.560 9.041 366 HG2 GLU 43 HG2 GLU 43 -12.378 -4.890 8.824 367 HG3 GLU 43 HG3 GLU 43 -13.976 -4.233 9.165 368 H GLU 44 H GLU 44 -13.501 -8.350 5.963 369 HA GLU 44 HA GLU 44 -15.423 -10.510 6.712 370 HB2 GLU 44 HB2 GLU 44 -16.668 -9.959 4.636 371 HB3 GLU 44 HB3 GLU 44 -16.623 -8.614 5.771 372 HG2 GLU 44 HG2 GLU 44 -14.793 -7.570 4.437 373 HG3 GLU 44 HG3 GLU 44 -14.913 -8.894 3.279 374 H GLY 45 H GLY 45 -12.404 -10.367 5.833 375 HA2 GLY 45 HA2 GLY 45 -11.864 -12.846 5.051 376 HA3 GLY 45 HA3 GLY 45 -12.420 -12.188 3.515 377 H ASP 46 H ASP 46 -10.435 -12.325 2.439 378 HA ASP 46 HA ASP 46 -8.185 -10.751 3.536 379 HB2 ASP 46 HB2 ASP 46 -6.759 -11.899 1.910 380 HB3 ASP 46 HB3 ASP 46 -7.643 -13.056 2.896 381 H ALA 47 H ALA 47 -6.864 -9.596 1.876 382 HA ALA 47 HA ALA 47 -8.608 -7.760 0.316 383 HB1 ALA 47 HB1 ALA 47 -6.000 -7.225 1.788 384 HB2 ALA 47 HB2 ALA 47 -7.617 -6.837 2.380 385 HB3 ALA 47 HB3 ALA 47 -6.986 -6.026 0.944 386 H LYS 48 H LYS 48 -7.649 -10.103 -0.969 387 HA LYS 48 HA LYS 48 -5.235 -10.133 -2.303 388 HB2 LYS 48 HB2 LYS 48 -6.752 -11.997 -2.517 389 HB3 LYS 48 HB3 LYS 48 -7.996 -10.991 -3.245 390 HG2 LYS 48 HG2 LYS 48 -6.455 -10.688 -5.240 391 HG3 LYS 48 HG3 LYS 48 -5.398 -11.904 -4.520 392 HD2 LYS 48 HD2 LYS 48 -7.112 -13.609 -4.710 393 HD3 LYS 48 HD3 LYS 48 -8.326 -12.415 -5.180 394 HE2 LYS 48 HE2 LYS 48 -5.870 -13.151 -6.805 395 HE3 LYS 48 HE3 LYS 48 -7.514 -13.708 -7.128 396 HZ1 LYS 48 HZ1 LYS 48 -8.170 -11.413 -7.501 397 HZ2 LYS 48 HZ2 LYS 48 -6.910 -11.854 -8.535 398 HZ3 LYS 48 HZ3 LYS 48 -6.596 -10.889 -7.187 399 H ASN 49 H ASN 49 -8.242 -8.729 -3.658 400 HA ASN 49 HA ASN 49 -7.175 -7.564 -5.984 401 HB2 ASN 49 HB2 ASN 49 -9.576 -7.960 -5.681 402 HB3 ASN 49 HB3 ASN 49 -9.637 -6.823 -4.338 403 HD21 ASN 49 HD21 ASN 49 -11.108 -5.419 -5.211 404 HD22 ASN 49 HD22 ASN 49 -10.831 -4.476 -6.628 405 H MET 50 H MET 50 -7.439 -6.368 -2.709 406 HA MET 50 HA MET 50 -7.025 -3.600 -3.216 407 HB2 MET 50 HB2 MET 50 -6.608 -5.067 -0.588 408 HB3 MET 50 HB3 MET 50 -6.948 -3.352 -0.805 409 HG2 MET 50 HG2 MET 50 -8.841 -5.609 -1.491 410 HG3 MET 50 HG3 MET 50 -8.919 -4.617 -0.038 411 HE1 MET 50 HE1 MET 50 -10.143 -1.208 -1.268 412 HE2 MET 50 HE2 MET 50 -8.484 -1.675 -0.884 413 HE3 MET 50 HE3 MET 50 -9.821 -2.281 0.100 414 H ILE 51 H ILE 51 -4.816 -6.278 -2.473 415 HA ILE 51 HA ILE 51 -2.445 -4.710 -2.051 416 HB ILE 51 HB ILE 51 -2.610 -7.574 -3.114 417 HG12 ILE 51 HG12 ILE 51 -2.343 -6.724 -0.188 418 HG13 ILE 51 HG13 ILE 51 -3.861 -7.213 -0.929 419 HG21 ILE 51 HG21 ILE 51 -0.331 -7.849 -2.151 420 HG22 ILE 51 HG22 ILE 51 -0.324 -6.150 -1.674 421 HG23 ILE 51 HG23 ILE 51 -0.363 -6.585 -3.383 422 HD11 ILE 51 HD11 ILE 51 -1.409 -8.936 -0.625 423 HD12 ILE 51 HD12 ILE 51 -2.928 -9.420 -1.386 424 HD13 ILE 51 HD13 ILE 51 -2.889 -9.020 0.331 425 H GLU 52 H GLU 52 -3.904 -6.278 -4.871 426 HA GLU 52 HA GLU 52 -1.964 -5.723 -6.833 427 HB2 GLU 52 HB2 GLU 52 -4.979 -6.025 -7.201 428 HB3 GLU 52 HB3 GLU 52 -3.771 -6.186 -8.470 429 HG2 GLU 52 HG2 GLU 52 -2.838 -8.180 -7.316 430 HG3 GLU 52 HG3 GLU 52 -4.071 -8.021 -6.069 431 H LYS 53 H LYS 53 -4.919 -3.935 -5.923 432 HA LYS 53 HA LYS 53 -4.558 -1.956 -8.010 433 HB2 LYS 53 HB2 LYS 53 -6.687 -0.983 -7.268 434 HB3 LYS 53 HB3 LYS 53 -6.813 -2.717 -7.480 435 HG2 LYS 53 HG2 LYS 53 -8.012 -2.513 -5.545 436 HG3 LYS 53 HG3 LYS 53 -6.413 -2.757 -4.859 437 HD2 LYS 53 HD2 LYS 53 -7.406 -1.005 -3.597 438 HD3 LYS 53 HD3 LYS 53 -6.245 -0.207 -4.656 439 HE2 LYS 53 HE2 LYS 53 -9.239 -0.379 -5.181 440 HE3 LYS 53 HE3 LYS 53 -8.434 1.004 -4.444 441 HZ1 LYS 53 HZ1 LYS 53 -8.735 1.491 -6.714 442 HZ2 LYS 53 HZ2 LYS 53 -8.121 -0.005 -7.214 443 HZ3 LYS 53 HZ3 LYS 53 -7.092 1.142 -6.536 444 H PHE 54 H PHE 54 -4.139 -1.959 -4.453 445 HA PHE 54 HA PHE 54 -3.758 0.811 -4.081 446 HB2 PHE 54 HB2 PHE 54 -4.161 -0.747 -2.196 447 HB3 PHE 54 HB3 PHE 54 -2.588 -1.486 -2.452 448 HD1 PHE 54 HD2 PHE 54 -4.257 1.709 -1.443 449 HD2 PHE 54 HD1 PHE 54 -0.626 -0.553 -1.406 450 HE1 PHE 54 HE2 PHE 54 -3.241 3.357 0.071 451 HE2 PHE 54 HE1 PHE 54 0.383 1.104 0.094 452 HZ PHE 54 HZ PHE 54 -0.906 3.066 0.821 453 H ARG 55 H ARG 55 -1.453 -1.727 -5.009 454 HA ARG 55 HA ARG 55 0.944 -0.236 -4.891 455 HB2 ARG 55 HB2 ARG 55 0.840 -2.733 -5.217 456 HB3 ARG 55 HB3 ARG 55 0.273 -2.474 -6.863 457 HG2 ARG 55 HG2 ARG 55 2.464 -1.107 -7.193 458 HG3 ARG 55 HG3 ARG 55 3.006 -1.867 -5.701 459 HD2 ARG 55 HD2 ARG 55 2.908 -4.064 -6.699 460 HD3 ARG 55 HD3 ARG 55 2.083 -3.442 -8.133 461 HE ARG 55 HE ARG 55 4.894 -3.473 -7.658 462 HH11 ARG 55 HH11 ARG 55 2.452 -1.594 -9.293 463 HH12 ARG 55 HH12 ARG 55 3.604 -0.846 -10.337 464 HH21 ARG 55 HH21 ARG 55 6.309 -2.494 -9.055 465 HH22 ARG 55 HH22 ARG 55 5.728 -1.338 -10.206 466 H ASP 56 H ASP 56 -1.556 -0.478 -7.394 467 HA ASP 56 HA ASP 56 -0.163 0.834 -9.499 468 HB2 ASP 56 HB2 ASP 56 -2.115 -0.674 -9.847 469 HB3 ASP 56 HB3 ASP 56 -3.166 0.517 -9.090 470 H GLU 57 H GLU 57 -2.619 2.081 -7.147 471 HA GLU 57 HA GLU 57 -2.454 4.810 -7.845 472 HB2 GLU 57 HB2 GLU 57 -3.083 3.510 -5.166 473 HB3 GLU 57 HB3 GLU 57 -3.091 5.257 -5.378 474 HG2 GLU 57 HG2 GLU 57 -5.340 4.601 -5.539 475 HG3 GLU 57 HG3 GLU 57 -4.841 4.909 -7.196 476 H MET 58 H MET 58 -0.509 2.916 -5.508 477 HA MET 58 HA MET 58 1.106 4.984 -4.525 478 HB2 MET 58 HB2 MET 58 1.525 1.996 -4.702 479 HB3 MET 58 HB3 MET 58 2.819 3.028 -4.118 480 HG2 MET 58 HG2 MET 58 0.584 3.835 -2.629 481 HG3 MET 58 HG3 MET 58 0.454 2.079 -2.715 482 HE1 MET 58 HE1 MET 58 3.834 4.163 -2.814 483 HE2 MET 58 HE2 MET 58 4.221 4.240 -1.097 484 HE3 MET 58 HE3 MET 58 2.823 5.114 -1.722 485 H GLU 59 H GLU 59 1.552 2.997 -7.434 486 HA GLU 59 HA GLU 59 4.179 3.946 -8.036 487 HB2 GLU 59 HB2 GLU 59 3.189 1.794 -8.897 488 HB3 GLU 59 HB3 GLU 59 2.152 2.739 -9.958 489 HG2 GLU 59 HG2 GLU 59 4.113 3.610 -11.153 490 HG3 GLU 59 HG3 GLU 59 5.193 2.764 -10.049 491 H GLN 60 H GLN 60 0.931 5.060 -8.849 492 HA GLN 60 HA GLN 60 1.605 6.992 -10.825 493 HB2 GLN 60 HB2 GLN 60 -0.661 6.044 -10.481 494 HB3 GLN 60 HB3 GLN 60 -0.799 6.880 -8.949 495 HG2 GLN 60 HG2 GLN 60 -0.373 8.474 -11.483 496 HG3 GLN 60 HG3 GLN 60 -1.965 7.831 -11.122 497 HE21 GLN 60 HE21 GLN 60 0.432 10.200 -10.208 498 HE22 GLN 60 HE22 GLN 60 -0.585 11.090 -9.132 499 H MET 61 H MET 61 0.840 7.421 -7.328 500 HA MET 61 HA MET 61 1.495 10.221 -7.343 501 HB2 MET 61 HB2 MET 61 1.098 10.114 -4.867 502 HB3 MET 61 HB3 MET 61 -0.233 9.518 -5.844 503 HG2 MET 61 HG2 MET 61 0.532 7.192 -5.386 504 HG3 MET 61 HG3 MET 61 1.752 7.851 -4.297 505 HE1 MET 61 HE1 MET 61 -0.755 5.709 -3.696 506 HE2 MET 61 HE2 MET 61 -1.200 6.227 -2.070 507 HE3 MET 61 HE3 MET 61 0.501 6.052 -2.502 508 H TYR 62 H TYR 62 3.380 7.340 -6.649 509 HA TYR 62 HA TYR 62 5.671 8.701 -5.588 510 HB2 TYR 62 HB2 TYR 62 5.653 6.348 -5.194 511 HB3 TYR 62 HB3 TYR 62 5.298 5.973 -6.878 512 HD1 TYR 62 HD1 TYR 62 8.007 7.432 -4.702 513 HD2 TYR 62 HD2 TYR 62 7.072 5.391 -8.344 514 HE1 TYR 62 HE1 TYR 62 10.398 7.226 -5.211 515 HE2 TYR 62 HE2 TYR 62 9.460 5.180 -8.836 516 HH TYR 62 HH TYR 62 11.877 5.708 -6.614 517 H LYS 63 H LYS 63 4.637 7.828 -8.885 518 HA LYS 63 HA LYS 63 6.958 8.777 -10.253 519 HB2 LYS 63 HB2 LYS 63 5.007 7.236 -11.104 520 HB3 LYS 63 HB3 LYS 63 4.167 8.724 -11.481 521 HG2 LYS 63 HG2 LYS 63 6.898 8.027 -12.615 522 HG3 LYS 63 HG3 LYS 63 5.391 7.578 -13.407 523 HD2 LYS 63 HD2 LYS 63 6.321 10.417 -12.829 524 HD3 LYS 63 HD3 LYS 63 6.379 9.615 -14.396 525 HE2 LYS 63 HE2 LYS 63 3.955 9.537 -14.511 526 HE3 LYS 63 HE3 LYS 63 3.814 10.142 -12.858 527 HZ1 LYS 63 HZ1 LYS 63 4.963 11.647 -15.148 528 HZ2 LYS 63 HZ2 LYS 63 4.808 12.223 -13.572 529 HZ3 LYS 63 HZ3 LYS 63 3.427 11.890 -14.486 530 H ASP 64 H ASP 64 3.953 10.320 -9.193 531 HA ASP 64 HA ASP 64 4.284 12.888 -10.324 532 HB2 ASP 64 HB2 ASP 64 2.133 12.083 -9.402 533 HB3 ASP 64 HB3 ASP 64 2.825 12.037 -7.783 534 H ALA 65 H ALA 65 5.124 11.680 -7.047 535 HA ALA 65 HA ALA 65 7.182 13.803 -6.762 536 HB1 ALA 65 HB1 ALA 65 5.238 14.392 -5.367 537 HB2 ALA 65 HB2 ALA 65 6.630 13.984 -4.364 538 HB3 ALA 65 HB3 ALA 65 5.320 12.820 -4.567 539 HA PRO 66 HA PRO 66 9.224 9.616 -6.445 540 HB2 PRO 66 HB2 PRO 66 11.614 11.166 -7.378 541 HB3 PRO 66 HB3 PRO 66 10.904 9.683 -8.035 542 HG2 PRO 66 HG2 PRO 66 10.610 12.012 -9.331 543 HG3 PRO 66 HG3 PRO 66 9.265 10.851 -9.251 544 HD2 PRO 66 HD2 PRO 66 9.716 13.335 -7.579 545 HD3 PRO 66 HD3 PRO 66 8.238 12.797 -8.413 546 H ASN 67 H ASN 67 9.568 9.110 -4.360 547 HA ASN 67 HA ASN 67 11.772 10.431 -2.865 548 HB2 ASN 67 HB2 ASN 67 9.256 9.136 -1.725 549 HB3 ASN 67 HB3 ASN 67 10.591 9.755 -0.763 550 HD21 ASN 67 HD21 ASN 67 7.884 10.625 -2.800 551 HD22 ASN 67 HD22 ASN 67 7.842 12.288 -2.344 552 H ALA 68 H ALA 68 13.366 9.093 -2.069 553 HA ALA 68 HA ALA 68 13.813 6.534 -3.160 554 HB1 ALA 68 HB1 ALA 68 15.141 7.825 -0.753 555 HB2 ALA 68 HB2 ALA 68 15.623 8.030 -2.436 556 HB3 ALA 68 HB3 ALA 68 15.775 6.452 -1.665 557 H VAL 69 H VAL 69 12.765 7.467 0.112 558 HA VAL 69 HA VAL 69 12.546 4.875 1.242 559 HB VAL 69 HB VAL 69 10.994 7.402 2.000 560 HG11 VAL 69 HG11 VAL 69 11.538 4.906 3.657 561 HG12 VAL 69 HG12 VAL 69 9.976 5.403 3.006 562 HG13 VAL 69 HG13 VAL 69 10.761 6.379 4.248 563 HG21 VAL 69 HG21 VAL 69 12.758 7.799 3.689 564 HG22 VAL 69 HG22 VAL 69 13.424 7.806 2.056 565 HG23 VAL 69 HG23 VAL 69 13.655 6.398 3.094 566 H MET 70 H MET 70 10.193 6.946 -0.474 567 HA MET 70 HA MET 70 7.918 5.267 -0.134 568 HB2 MET 70 HB2 MET 70 7.847 7.718 -0.700 569 HB3 MET 70 HB3 MET 70 8.393 7.330 -2.324 570 HG2 MET 70 HG2 MET 70 6.328 6.105 -2.762 571 HG3 MET 70 HG3 MET 70 5.801 6.342 -1.092 572 HE1 MET 70 HE1 MET 70 3.787 7.135 -3.379 573 HE2 MET 70 HE2 MET 70 3.295 8.754 -2.882 574 HE3 MET 70 HE3 MET 70 3.472 7.481 -1.675 575 H GLU 71 H GLU 71 10.501 5.324 -2.533 576 HA GLU 71 HA GLU 71 9.434 3.525 -4.453 577 HB2 GLU 71 HB2 GLU 71 11.483 4.949 -4.773 578 HB3 GLU 71 HB3 GLU 71 12.352 3.911 -3.649 579 HG2 GLU 71 HG2 GLU 71 11.902 1.979 -5.227 580 HG3 GLU 71 HG3 GLU 71 11.257 3.148 -6.378 581 H GLN 72 H GLN 72 11.346 3.014 -1.508 582 HA GLN 72 HA GLN 72 11.524 0.186 -1.563 583 HB2 GLN 72 HB2 GLN 72 11.568 2.071 0.832 584 HB3 GLN 72 HB3 GLN 72 12.099 0.390 0.853 585 HG2 GLN 72 HG2 GLN 72 13.896 0.923 -0.746 586 HG3 GLN 72 HG3 GLN 72 13.355 2.599 -0.807 587 HE21 GLN 72 HE21 GLN 72 14.947 0.179 1.138 588 HE22 GLN 72 HE22 GLN 72 15.616 1.272 2.296 589 H LEU 73 H LEU 73 8.990 2.367 -0.442 590 HA LEU 73 HA LEU 73 7.377 0.379 0.854 591 HB2 LEU 73 HB2 LEU 73 6.497 3.062 -0.276 592 HB3 LEU 73 HB3 LEU 73 5.617 2.084 0.890 593 HG LEU 73 HG LEU 73 8.264 3.499 1.367 594 HD11 LEU 73 HD11 LEU 73 6.351 5.027 1.374 595 HD12 LEU 73 HD12 LEU 73 7.070 4.879 2.976 596 HD13 LEU 73 HD13 LEU 73 5.561 4.042 2.608 597 HD21 LEU 73 HD21 LEU 73 6.731 1.719 3.284 598 HD22 LEU 73 HD22 LEU 73 8.116 2.725 3.709 599 HD23 LEU 73 HD23 LEU 73 8.317 1.390 2.578 600 H LEU 74 H LEU 74 7.417 1.692 -2.496 601 HA LEU 74 HA LEU 74 5.336 0.108 -3.581 602 HB2 LEU 74 HB2 LEU 74 7.797 1.406 -4.748 603 HB3 LEU 74 HB3 LEU 74 6.981 0.202 -5.726 604 HG LEU 74 HG LEU 74 4.871 1.577 -5.577 605 HD11 LEU 74 HD11 LEU 74 4.985 3.907 -4.868 606 HD12 LEU 74 HD12 LEU 74 6.656 3.687 -4.343 607 HD13 LEU 74 HD13 LEU 74 5.351 2.824 -3.527 608 HD21 LEU 74 HD21 LEU 74 7.280 2.961 -6.813 609 HD22 LEU 74 HD22 LEU 74 5.591 3.266 -7.226 610 HD23 LEU 74 HD23 LEU 74 6.304 1.691 -7.561 611 H GLU 75 H GLU 75 8.784 -0.567 -3.087 612 HA GLU 75 HA GLU 75 8.975 -3.136 -4.206 613 HB2 GLU 75 HB2 GLU 75 10.953 -1.793 -3.598 614 HB3 GLU 75 HB3 GLU 75 10.536 -1.911 -1.892 615 HG2 GLU 75 HG2 GLU 75 10.886 -4.384 -2.013 616 HG3 GLU 75 HG3 GLU 75 11.395 -4.207 -3.692 617 H GLU 76 H GLU 76 8.180 -2.113 -0.888 618 HA GLU 76 HA GLU 76 7.898 -4.548 0.419 619 HB2 GLU 76 HB2 GLU 76 6.682 -1.810 0.768 620 HB3 GLU 76 HB3 GLU 76 6.000 -3.115 1.714 621 HG2 GLU 76 HG2 GLU 76 8.973 -2.561 1.772 622 HG3 GLU 76 HG3 GLU 76 7.850 -1.641 2.772 623 H ILE 77 H ILE 77 5.374 -2.726 -1.378 624 HA ILE 77 HA ILE 77 3.301 -4.675 -1.033 625 HB ILE 77 HB ILE 77 3.405 -2.626 -3.297 626 HG12 ILE 77 HG12 ILE 77 2.258 -2.131 -0.510 627 HG13 ILE 77 HG13 ILE 77 3.838 -1.557 -1.027 628 HG21 ILE 77 HG21 ILE 77 1.043 -3.920 -1.851 629 HG22 ILE 77 HG22 ILE 77 1.597 -4.308 -3.482 630 HG23 ILE 77 HG23 ILE 77 0.921 -2.716 -3.140 631 HD11 ILE 77 HD11 ILE 77 1.203 -0.779 -2.261 632 HD12 ILE 77 HD12 ILE 77 2.796 -0.188 -2.746 633 HD13 ILE 77 HD13 ILE 77 2.166 0.186 -1.143 634 H GLU 78 H GLU 78 5.797 -4.192 -3.513 635 HA GLU 78 HA GLU 78 4.584 -5.836 -5.532 636 HB2 GLU 78 HB2 GLU 78 6.164 -3.981 -6.051 637 HB3 GLU 78 HB3 GLU 78 7.475 -4.906 -5.321 638 HG2 GLU 78 HG2 GLU 78 7.146 -6.683 -7.044 639 HG3 GLU 78 HG3 GLU 78 5.884 -5.705 -7.788 640 H LYS 79 H LYS 79 7.356 -6.385 -3.314 641 HA LYS 79 HA LYS 79 7.918 -9.069 -3.917 642 HB2 LYS 79 HB2 LYS 79 8.070 -7.752 -1.166 643 HB3 LYS 79 HB3 LYS 79 8.871 -9.249 -1.622 644 HG2 LYS 79 HG2 LYS 79 9.480 -6.497 -2.736 645 HG3 LYS 79 HG3 LYS 79 10.427 -7.360 -1.527 646 HD2 LYS 79 HD2 LYS 79 10.854 -9.160 -3.255 647 HD3 LYS 79 HD3 LYS 79 10.047 -8.133 -4.447 648 HE2 LYS 79 HE2 LYS 79 11.737 -6.338 -3.971 649 HE3 LYS 79 HE3 LYS 79 12.570 -7.455 -2.891 650 HZ1 LYS 79 HZ1 LYS 79 12.170 -7.791 -5.810 651 HZ2 LYS 79 HZ2 LYS 79 12.876 -8.946 -4.799 652 HZ3 LYS 79 HZ3 LYS 79 13.628 -7.448 -5.020 653 H LEU 80 H LEU 80 5.696 -7.683 -1.512 654 HA LEU 80 HA LEU 80 4.489 -9.974 -0.491 655 HB2 LEU 80 HB2 LEU 80 4.120 -7.824 0.535 656 HB3 LEU 80 HB3 LEU 80 3.393 -7.186 -0.932 657 HG LEU 80 HG LEU 80 1.439 -8.711 -0.623 658 HD11 LEU 80 HD11 LEU 80 1.094 -9.914 1.491 659 HD12 LEU 80 HD12 LEU 80 2.725 -9.487 2.010 660 HD13 LEU 80 HD13 LEU 80 2.490 -10.538 0.614 661 HD21 LEU 80 HD21 LEU 80 2.002 -6.968 1.788 662 HD22 LEU 80 HD22 LEU 80 0.416 -7.510 1.232 663 HD23 LEU 80 HD23 LEU 80 1.367 -6.415 0.235 664 H LEU 81 H LEU 81 3.551 -8.064 -3.359 665 HA LEU 81 HA LEU 81 1.101 -9.370 -3.922 666 HB2 LEU 81 HB2 LEU 81 1.745 -7.089 -4.707 667 HB3 LEU 81 HB3 LEU 81 2.933 -7.803 -5.787 668 HG LEU 81 HG LEU 81 1.115 -8.868 -7.103 669 HD11 LEU 81 HD11 LEU 81 -1.242 -8.328 -6.684 670 HD12 LEU 81 HD12 LEU 81 -0.798 -7.472 -5.206 671 HD13 LEU 81 HD13 LEU 81 -0.534 -9.213 -5.335 672 HD21 LEU 81 HD21 LEU 81 0.168 -6.828 -8.117 673 HD22 LEU 81 HD22 LEU 81 1.884 -6.630 -7.780 674 HD23 LEU 81 HD23 LEU 81 0.689 -5.877 -6.722 675 H LYS 82 H LYS 82 4.355 -9.800 -5.207 676 HA LYS 82 HA LYS 82 4.011 -11.858 -7.070 677 HB2 LYS 82 HB2 LYS 82 6.081 -10.558 -6.800 678 HB3 LYS 82 HB3 LYS 82 6.315 -11.199 -5.181 679 HG2 LYS 82 HG2 LYS 82 6.690 -13.465 -6.162 680 HG3 LYS 82 HG3 LYS 82 6.538 -12.768 -7.779 681 HD2 LYS 82 HD2 LYS 82 8.492 -11.292 -7.323 682 HD3 LYS 82 HD3 LYS 82 8.636 -11.983 -5.705 683 HE2 LYS 82 HE2 LYS 82 10.290 -12.991 -7.171 684 HE3 LYS 82 HE3 LYS 82 9.088 -14.206 -6.732 685 HZ1 LYS 82 HZ1 LYS 82 9.143 -12.684 -9.286 686 HZ2 LYS 82 HZ2 LYS 82 8.033 -13.892 -8.878 687 HZ3 LYS 82 HZ3 LYS 82 9.663 -14.279 -9.085 688 H LYS 83 H LYS 83 4.803 -12.067 -3.595 689 HA LYS 83 HA LYS 83 4.723 -14.920 -3.391 690 HB2 LYS 83 HB2 LYS 83 4.661 -12.783 -1.230 691 HB3 LYS 83 HB3 LYS 83 4.912 -14.504 -0.934 692 HG2 LYS 83 HG2 LYS 83 7.006 -14.463 -2.195 693 HG3 LYS 83 HG3 LYS 83 6.740 -12.770 -2.627 694 HD2 LYS 83 HD2 LYS 83 6.838 -12.173 -0.197 695 HD3 LYS 83 HD3 LYS 83 7.205 -13.859 0.176 696 HE2 LYS 83 HE2 LYS 83 9.281 -13.685 -1.177 697 HE3 LYS 83 HE3 LYS 83 8.915 -11.989 -1.505 698 HZ1 LYS 83 HZ1 LYS 83 9.032 -11.566 0.889 699 HZ2 LYS 83 HZ2 LYS 83 10.487 -12.182 0.289 700 HZ3 LYS 83 HZ3 LYS 83 9.444 -13.187 1.161 701 H ALA 84 H ALA 84 2.267 -12.473 -3.103 702 HA ALA 84 HA ALA 84 0.422 -13.904 -1.409 703 HB1 ALA 84 HB1 ALA 84 -1.120 -12.029 -1.869 704 HB2 ALA 84 HB2 ALA 84 -0.034 -11.435 -3.128 705 HB3 ALA 84 HB3 ALA 84 0.488 -11.434 -1.444 706 H GLY 85 H GLY 85 -2.023 -13.818 -2.398 707 HA2 GLY 85 HA2 GLY 85 -2.097 -15.837 -4.485 708 HA3 GLY 85 HA3 GLY 85 -3.457 -15.194 -3.581 709 H SER 86 H SER 86 -1.025 -13.694 -5.779 710 HA SER 86 HA SER 86 -3.149 -12.259 -7.229 711 HB2 SER 86 HB2 SER 86 -1.061 -11.062 -6.495 712 HB3 SER 86 HB3 SER 86 -0.125 -12.077 -7.592 713 HG SER 86 HG SER 86 -1.671 -9.882 -8.110 714 H LEU 87 H LEU 87 -1.587 -15.205 -7.449 715 HA LEU 87 HA LEU 87 -1.364 -16.864 -8.935 716 HB2 LEU 87 HB2 LEU 87 -3.642 -15.368 -10.277 717 HB3 LEU 87 HB3 LEU 87 -3.014 -16.869 -10.934 718 HG LEU 87 HG LEU 87 -3.608 -17.993 -8.727 719 HD11 LEU 87 HD11 LEU 87 -5.254 -16.949 -7.246 720 HD12 LEU 87 HD12 LEU 87 -5.153 -15.446 -8.166 721 HD13 LEU 87 HD13 LEU 87 -3.749 -16.031 -7.272 722 HD21 LEU 87 HD21 LEU 87 -5.922 -16.818 -10.299 723 HD22 LEU 87 HD22 LEU 87 -5.990 -18.240 -9.255 724 HD23 LEU 87 HD23 LEU 87 -5.007 -18.270 -10.714 725 H VAL 88 H VAL 88 0.600 -14.964 -9.143 726 HA VAL 88 HA VAL 88 1.197 -14.178 -11.807 727 HB VAL 88 HB VAL 88 3.515 -13.763 -11.030 728 HG11 VAL 88 HG11 VAL 88 1.808 -12.052 -10.596 729 HG12 VAL 88 HG12 VAL 88 3.005 -12.067 -9.301 730 HG13 VAL 88 HG13 VAL 88 1.420 -12.801 -9.043 731 HG21 VAL 88 HG21 VAL 88 4.177 -14.152 -8.653 732 HG22 VAL 88 HG22 VAL 88 3.898 -15.660 -9.522 733 HG23 VAL 88 HG23 VAL 88 2.681 -15.057 -8.398 734 HA PRO 89 HA PRO 89 1.761 -18.444 -13.044 735 HB2 PRO 89 HB2 PRO 89 1.499 -18.165 -15.693 736 HB3 PRO 89 HB3 PRO 89 0.181 -17.697 -14.607 737 HG2 PRO 89 HG2 PRO 89 2.205 -15.943 -15.988 738 HG3 PRO 89 HG3 PRO 89 0.461 -15.686 -15.783 739 HD2 PRO 89 HD2 PRO 89 2.471 -14.579 -14.152 740 HD3 PRO 89 HD3 PRO 89 0.754 -14.709 -13.713 741 H ARG 90 H ARG 90 3.076 -19.902 -14.326 742 HA ARG 90 HA ARG 90 5.897 -19.162 -14.617 743 HB2 ARG 90 HB2 ARG 90 4.448 -21.810 -15.089 744 HB3 ARG 90 HB3 ARG 90 6.196 -21.597 -15.098 745 HG2 ARG 90 HG2 ARG 90 6.217 -21.101 -12.723 746 HG3 ARG 90 HG3 ARG 90 4.454 -21.055 -12.671 747 HD2 ARG 90 HD2 ARG 90 6.160 -23.509 -13.230 748 HD3 ARG 90 HD3 ARG 90 5.280 -23.166 -11.737 749 HE ARG 90 HE ARG 90 3.567 -23.195 -14.036 750 HH11 ARG 90 HH11 ARG 90 5.037 -25.290 -11.692 751 HH12 ARG 90 HH12 ARG 90 3.861 -26.531 -11.934 752 HH21 ARG 90 HH21 ARG 90 2.106 -24.802 -14.315 753 HH22 ARG 90 HH22 ARG 90 2.247 -26.266 -13.408 754 H GLY 91 H GLY 91 6.543 -20.882 -16.868 755 HA2 GLY 91 HA2 GLY 91 6.462 -21.033 -19.194 756 HA3 GLY 91 HA3 GLY 91 5.013 -20.035 -19.198 757 H SER 92 H SER 92 5.357 -17.686 -18.713 758 HA SER 92 HA SER 92 7.564 -16.407 -19.987 759 HB2 SER 92 HB2 SER 92 5.593 -15.282 -17.937 760 HB3 SER 92 HB3 SER 92 6.647 -14.324 -18.982 761 HG SER 92 HG SER 92 4.817 -14.377 -20.111 762 H TYR 93 H TYR 93 6.713 -16.934 -16.561 763 HA TYR 93 HA TYR 93 9.397 -16.196 -15.626 764 HB2 TYR 93 HB2 TYR 93 6.861 -16.980 -14.121 765 HB3 TYR 93 HB3 TYR 93 8.394 -16.634 -13.329 766 HD1 TYR 93 HD1 TYR 93 9.256 -14.313 -13.211 767 HD2 TYR 93 HD2 TYR 93 5.506 -15.144 -15.090 768 HE1 TYR 93 HE1 TYR 93 8.685 -11.927 -13.132 769 HE2 TYR 93 HE2 TYR 93 4.942 -12.755 -15.010 770 HH TYR 93 HH TYR 93 7.208 -10.331 -14.292 771 H LEU 94 H LEU 94 10.705 -17.870 -16.383 772 HA LEU 94 HA LEU 94 10.726 -20.184 -14.594 773 HB2 LEU 94 HB2 LEU 94 9.648 -21.008 -16.711 774 HB3 LEU 94 HB3 LEU 94 11.084 -20.530 -17.603 775 HG LEU 94 HG LEU 94 12.434 -22.171 -16.250 776 HD11 LEU 94 HD11 LEU 94 11.306 -23.866 -14.878 777 HD12 LEU 94 HD12 LEU 94 9.756 -23.057 -15.118 778 HD13 LEU 94 HD13 LEU 94 11.047 -22.251 -14.224 779 HD21 LEU 94 HD21 LEU 94 11.581 -22.827 -18.462 780 HD22 LEU 94 HD22 LEU 94 10.087 -23.415 -17.726 781 HD23 LEU 94 HD23 LEU 94 11.623 -24.203 -17.362 782 H GLU 95 H GLU 95 12.507 -19.521 -13.514 783 HA GLU 95 HA GLU 95 15.068 -19.366 -14.956 784 HB2 GLU 95 HB2 GLU 95 13.924 -17.009 -14.440 785 HB3 GLU 95 HB3 GLU 95 14.493 -17.290 -12.807 786 HG2 GLU 95 HG2 GLU 95 16.243 -17.151 -15.279 787 HG3 GLU 95 HG3 GLU 95 15.995 -15.836 -14.140 788 H HIS 96 H HIS 96 16.774 -20.155 -13.779 789 HA HIS 96 HA HIS 96 16.131 -21.958 -11.604 790 HB2 HIS 96 HB2 HIS 96 18.726 -21.428 -13.109 791 HB3 HIS 96 HB3 HIS 96 18.530 -22.682 -11.888 792 HD1 HIS 96 HD1 HIS 96 17.983 -24.906 -12.820 793 HD2 HIS 96 HD2 HIS 96 16.740 -21.870 -15.365 794 HE1 HIS 96 HE1 HIS 96 17.045 -26.056 -14.830 795 HE2 HIS 96 HE2 HIS 96 16.455 -24.210 -16.418 796 H HIS 97 H HIS 97 15.653 -20.575 -9.864 797 HA HIS 97 HA HIS 97 17.656 -18.712 -8.823 798 HB2 HIS 97 HB2 HIS 97 14.944 -19.465 -7.649 799 HB3 HIS 97 HB3 HIS 97 15.956 -18.112 -7.152 800 HD1 HIS 97 HD1 HIS 97 13.238 -18.974 -9.410 801 HD2 HIS 97 HD2 HIS 97 16.226 -16.082 -9.302 802 HE1 HIS 97 HE1 HIS 97 12.500 -17.183 -10.995 803 HE2 HIS 97 HE2 HIS 97 14.322 -15.457 -10.930 804 H HIS 98 H HIS 98 19.382 -19.776 -7.964 805 HA HIS 98 HA HIS 98 18.949 -21.566 -5.644 806 HB2 HIS 98 HB2 HIS 98 20.846 -23.034 -6.459 807 HB3 HIS 98 HB3 HIS 98 19.398 -23.118 -7.451 808 HD1 HIS 98 HD1 HIS 98 22.883 -21.631 -7.495 809 HD2 HIS 98 HD2 HIS 98 19.803 -22.517 -10.136 810 HE1 HIS 98 HE1 HIS 98 23.818 -21.210 -9.776 811 HE2 HIS 98 HE2 HIS 98 21.965 -21.803 -11.360 812 H HIS 99 H HIS 99 20.143 -20.977 -3.923 813 HA HIS 99 HA HIS 99 22.252 -18.925 -4.208 814 HB2 HIS 99 HB2 HIS 99 20.389 -18.331 -2.725 815 HB3 HIS 99 HB3 HIS 99 20.611 -19.805 -1.790 816 HD1 HIS 99 HD1 HIS 99 22.593 -16.665 -2.646 817 HD2 HIS 99 HD2 HIS 99 22.189 -19.437 0.419 818 HE1 HIS 99 HE1 HIS 99 24.110 -15.871 -0.821 819 HE2 HIS 99 HE2 HIS 99 24.017 -17.690 0.904 820 H HIS 100 H HIS 100 21.760 -22.239 -3.202 821 HA HIS 100 HA HIS 100 24.540 -22.524 -2.231 822 HB2 HIS 100 HB2 HIS 100 22.845 -23.420 -0.712 823 HB3 HIS 100 HB3 HIS 100 22.111 -24.351 -2.011 824 HD1 HIS 100 HD1 HIS 100 23.090 -26.641 -2.504 825 HD2 HIS 100 HD2 HIS 100 25.337 -24.514 0.270 826 HE1 HIS 100 HE1 HIS 100 24.733 -28.276 -1.577 827 HE2 HIS 100 HE2 HIS 100 25.924 -27.031 0.240 828 H HIS 101 H HIS 101 26.057 -23.726 -3.355 829 HA HIS 101 HA HIS 101 25.670 -24.520 -6.066 830 HB2 HIS 101 HB2 HIS 101 27.921 -25.183 -4.114 831 HB3 HIS 101 HB3 HIS 101 27.957 -25.602 -5.824 832 HD1 HIS 101 HD1 HIS 101 27.574 -23.327 -7.422 833 HD2 HIS 101 HD2 HIS 101 29.225 -22.837 -3.642 834 HE1 HIS 101 HE1 HIS 101 28.749 -21.120 -7.483 835 HE2 HIS 101 HE2 HIS 101 29.713 -20.825 -5.189 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -7.096 -21.229 13.614 2 H2 MET 1 H2 MET 1 -8.523 -20.439 13.187 3 H3 MET 1 H3 MET 1 -7.136 -19.539 13.555 4 HA MET 1 HA MET 1 -7.398 -21.417 11.278 5 HB2 MET 1 HB2 MET 1 -7.568 -19.444 9.826 6 HB3 MET 1 HB3 MET 1 -8.871 -19.448 11.002 7 HG2 MET 1 HG2 MET 1 -7.743 -17.720 12.298 8 HG3 MET 1 HG3 MET 1 -6.359 -17.768 11.200 9 HE1 MET 1 HE1 MET 1 -7.877 -14.323 10.181 10 HE2 MET 1 HE2 MET 1 -6.403 -15.198 10.591 11 HE3 MET 1 HE3 MET 1 -7.672 -14.986 11.802 12 H GLN 2 H GLN 2 -5.251 -20.845 13.411 13 HA GLN 2 HA GLN 2 -3.056 -20.638 13.691 14 HB2 GLN 2 HB2 GLN 2 -3.007 -21.391 10.757 15 HB3 GLN 2 HB3 GLN 2 -1.515 -21.071 11.632 16 HG2 GLN 2 HG2 GLN 2 -1.631 -23.359 11.817 17 HG3 GLN 2 HG3 GLN 2 -2.424 -22.894 13.312 18 HE21 GLN 2 HE21 GLN 2 -2.612 -25.406 11.877 19 HE22 GLN 2 HE22 GLN 2 -4.274 -25.630 11.471 20 H GLU 3 H GLU 3 -0.987 -19.412 12.943 21 HA GLU 3 HA GLU 3 -1.764 -16.629 13.014 22 HB2 GLU 3 HB2 GLU 3 0.968 -17.949 13.168 23 HB3 GLU 3 HB3 GLU 3 0.679 -16.225 13.408 24 HG2 GLU 3 HG2 GLU 3 -0.776 -16.764 15.360 25 HG3 GLU 3 HG3 GLU 3 -0.428 -18.475 15.123 26 H GLU 4 H GLU 4 -0.556 -18.748 10.508 27 HA GLU 4 HA GLU 4 1.094 -17.025 9.029 28 HB2 GLU 4 HB2 GLU 4 -0.534 -19.372 7.976 29 HB3 GLU 4 HB3 GLU 4 0.754 -18.566 7.091 30 HG2 GLU 4 HG2 GLU 4 1.751 -20.519 7.937 31 HG3 GLU 4 HG3 GLU 4 2.309 -19.241 9.010 32 H ARG 5 H ARG 5 -2.401 -17.543 8.758 33 HA ARG 5 HA ARG 5 -2.918 -15.893 6.500 34 HB2 ARG 5 HB2 ARG 5 -4.813 -16.449 8.834 35 HB3 ARG 5 HB3 ARG 5 -5.267 -15.963 7.201 36 HG2 ARG 5 HG2 ARG 5 -4.411 -18.118 6.326 37 HG3 ARG 5 HG3 ARG 5 -3.964 -18.593 7.964 38 HD2 ARG 5 HD2 ARG 5 -6.404 -18.353 8.600 39 HD3 ARG 5 HD3 ARG 5 -6.756 -18.136 6.881 40 HE ARG 5 HE ARG 5 -5.239 -20.505 7.359 41 HH11 ARG 5 HH11 ARG 5 -8.475 -19.276 7.450 42 HH12 ARG 5 HH12 ARG 5 -9.176 -20.849 7.366 43 HH21 ARG 5 HH21 ARG 5 -6.172 -22.491 7.258 44 HH22 ARG 5 HH22 ARG 5 -7.893 -22.636 7.242 45 H LYS 6 H LYS 6 -2.944 -15.239 9.996 46 HA LYS 6 HA LYS 6 -3.482 -12.452 9.854 47 HB2 LYS 6 HB2 LYS 6 -2.291 -14.173 12.040 48 HB3 LYS 6 HB3 LYS 6 -2.468 -12.427 12.222 49 HG2 LYS 6 HG2 LYS 6 -4.927 -12.738 11.618 50 HG3 LYS 6 HG3 LYS 6 -4.662 -14.472 11.819 51 HD2 LYS 6 HD2 LYS 6 -4.142 -14.193 14.165 52 HD3 LYS 6 HD3 LYS 6 -4.083 -12.432 14.000 53 HE2 LYS 6 HE2 LYS 6 -6.490 -12.420 13.424 54 HE3 LYS 6 HE3 LYS 6 -6.547 -14.169 13.644 55 HZ1 LYS 6 HZ1 LYS 6 -7.356 -13.050 15.601 56 HZ2 LYS 6 HZ2 LYS 6 -5.928 -12.160 15.744 57 HZ3 LYS 6 HZ3 LYS 6 -5.906 -13.833 15.970 58 H LYS 7 H LYS 7 -0.431 -14.246 9.564 59 HA LYS 7 HA LYS 7 1.256 -11.915 9.813 60 HB2 LYS 7 HB2 LYS 7 2.016 -14.620 8.640 61 HB3 LYS 7 HB3 LYS 7 3.127 -13.350 9.136 62 HG2 LYS 7 HG2 LYS 7 1.421 -15.123 10.891 63 HG3 LYS 7 HG3 LYS 7 3.174 -15.017 10.843 64 HD2 LYS 7 HD2 LYS 7 1.315 -12.826 11.852 65 HD3 LYS 7 HD3 LYS 7 2.182 -13.968 12.874 66 HE2 LYS 7 HE2 LYS 7 4.334 -13.053 12.067 67 HE3 LYS 7 HE3 LYS 7 3.462 -11.909 11.042 68 HZ1 LYS 7 HZ1 LYS 7 2.542 -10.861 12.974 69 HZ2 LYS 7 HZ2 LYS 7 4.220 -10.954 13.174 70 HZ3 LYS 7 HZ3 LYS 7 3.212 -12.027 14.002 71 H LEU 8 H LEU 8 -0.316 -13.583 7.158 72 HA LEU 8 HA LEU 8 0.905 -12.277 4.974 73 HB2 LEU 8 HB2 LEU 8 -0.580 -14.253 4.748 74 HB3 LEU 8 HB3 LEU 8 -1.959 -13.282 5.246 75 HG LEU 8 HG LEU 8 -1.693 -11.875 3.186 76 HD11 LEU 8 HD11 LEU 8 0.477 -13.852 2.408 77 HD12 LEU 8 HD12 LEU 8 0.714 -12.151 2.813 78 HD13 LEU 8 HD13 LEU 8 -0.194 -12.590 1.372 79 HD21 LEU 8 HD21 LEU 8 -1.977 -14.849 2.611 80 HD22 LEU 8 HD22 LEU 8 -2.519 -13.536 1.562 81 HD23 LEU 8 HD23 LEU 8 -3.265 -13.763 3.141 82 H LEU 9 H LEU 9 -2.063 -11.409 6.825 83 HA LEU 9 HA LEU 9 -2.390 -8.881 5.470 84 HB2 LEU 9 HB2 LEU 9 -4.293 -8.501 6.976 85 HB3 LEU 9 HB3 LEU 9 -4.358 -10.057 6.187 86 HG LEU 9 HG LEU 9 -3.342 -10.942 8.483 87 HD11 LEU 9 HD11 LEU 9 -4.159 -9.727 10.460 88 HD12 LEU 9 HD12 LEU 9 -4.703 -8.401 9.426 89 HD13 LEU 9 HD13 LEU 9 -2.985 -8.777 9.550 90 HD21 LEU 9 HD21 LEU 9 -5.499 -11.644 7.576 91 HD22 LEU 9 HD22 LEU 9 -6.265 -10.180 8.199 92 HD23 LEU 9 HD23 LEU 9 -5.612 -11.383 9.315 93 H GLU 10 H GLU 10 -0.759 -9.905 8.409 94 HA GLU 10 HA GLU 10 -0.177 -7.534 9.748 95 HB2 GLU 10 HB2 GLU 10 0.593 -9.704 10.577 96 HB3 GLU 10 HB3 GLU 10 1.584 -9.947 9.152 97 HG2 GLU 10 HG2 GLU 10 3.189 -9.398 10.736 98 HG3 GLU 10 HG3 GLU 10 2.891 -7.832 9.992 99 H LYS 11 H LYS 11 1.471 -8.948 6.921 100 HA LYS 11 HA LYS 11 3.364 -6.993 6.358 101 HB2 LYS 11 HB2 LYS 11 1.772 -8.768 4.464 102 HB3 LYS 11 HB3 LYS 11 3.099 -7.750 3.922 103 HG2 LYS 11 HG2 LYS 11 3.340 -9.997 5.950 104 HG3 LYS 11 HG3 LYS 11 3.765 -10.115 4.243 105 HD2 LYS 11 HD2 LYS 11 5.072 -8.227 6.243 106 HD3 LYS 11 HD3 LYS 11 5.754 -9.759 5.699 107 HE2 LYS 11 HE2 LYS 11 5.878 -8.898 3.391 108 HE3 LYS 11 HE3 LYS 11 5.155 -7.374 3.908 109 HZ1 LYS 11 HZ1 LYS 11 7.583 -7.266 3.689 110 HZ2 LYS 11 HZ2 LYS 11 7.744 -8.428 4.908 111 HZ3 LYS 11 HZ3 LYS 11 7.063 -6.925 5.260 112 H LEU 12 H LEU 12 -0.002 -7.196 5.065 113 HA LEU 12 HA LEU 12 0.062 -4.839 3.546 114 HB2 LEU 12 HB2 LEU 12 -2.239 -6.416 4.714 115 HB3 LEU 12 HB3 LEU 12 -2.548 -4.898 3.889 116 HG LEU 12 HG LEU 12 -2.930 -6.633 2.293 117 HD11 LEU 12 HD11 LEU 12 -1.339 -6.109 0.509 118 HD12 LEU 12 HD12 LEU 12 -0.215 -5.418 1.678 119 HD13 LEU 12 HD13 LEU 12 -1.783 -4.655 1.402 120 HD21 LEU 12 HD21 LEU 12 -1.738 -8.479 3.377 121 HD22 LEU 12 HD22 LEU 12 -0.186 -7.768 2.927 122 HD23 LEU 12 HD23 LEU 12 -1.287 -8.354 1.677 123 H GLU 13 H GLU 13 -1.036 -5.251 6.927 124 HA GLU 13 HA GLU 13 -1.959 -2.646 7.418 125 HB2 GLU 13 HB2 GLU 13 -0.646 -4.602 9.353 126 HB3 GLU 13 HB3 GLU 13 -1.497 -3.138 9.843 127 HG2 GLU 13 HG2 GLU 13 -3.588 -4.052 8.804 128 HG3 GLU 13 HG3 GLU 13 -2.713 -5.538 8.440 129 H LYS 14 H LYS 14 1.305 -4.020 7.967 130 HA LYS 14 HA LYS 14 2.490 -1.597 8.881 131 HB2 LYS 14 HB2 LYS 14 3.773 -4.131 7.797 132 HB3 LYS 14 HB3 LYS 14 4.678 -2.793 8.502 133 HG2 LYS 14 HG2 LYS 14 3.275 -3.115 10.614 134 HG3 LYS 14 HG3 LYS 14 2.706 -4.626 9.896 135 HD2 LYS 14 HD2 LYS 14 5.009 -5.484 9.812 136 HD3 LYS 14 HD3 LYS 14 5.628 -3.945 10.422 137 HE2 LYS 14 HE2 LYS 14 4.277 -4.321 12.520 138 HE3 LYS 14 HE3 LYS 14 3.879 -5.927 11.912 139 HZ1 LYS 14 HZ1 LYS 14 6.267 -6.418 11.868 140 HZ2 LYS 14 HZ2 LYS 14 5.718 -6.055 13.418 141 HZ3 LYS 14 HZ3 LYS 14 6.589 -4.902 12.541 142 H ILE 15 H ILE 15 2.240 -3.009 5.599 143 HA ILE 15 HA ILE 15 4.005 -1.307 4.200 144 HB ILE 15 HB ILE 15 1.367 -2.520 3.222 145 HG12 ILE 15 HG12 ILE 15 4.238 -3.401 2.684 146 HG13 ILE 15 HG13 ILE 15 3.126 -4.189 3.792 147 HG21 ILE 15 HG21 ILE 15 2.117 -2.028 0.897 148 HG22 ILE 15 HG22 ILE 15 3.512 -1.157 1.530 149 HG23 ILE 15 HG23 ILE 15 1.885 -0.549 1.828 150 HD11 ILE 15 HD11 ILE 15 2.792 -3.985 0.800 151 HD12 ILE 15 HD12 ILE 15 1.667 -4.770 1.915 152 HD13 ILE 15 HD13 ILE 15 3.298 -5.404 1.717 153 H LEU 16 H LEU 16 0.504 -1.000 4.724 154 HA LEU 16 HA LEU 16 0.094 1.452 3.417 155 HB2 LEU 16 HB2 LEU 16 -1.494 0.164 5.670 156 HB3 LEU 16 HB3 LEU 16 -2.086 1.452 4.630 157 HG LEU 16 HG LEU 16 -1.248 -1.267 3.587 158 HD11 LEU 16 HD11 LEU 16 -3.145 -1.579 5.102 159 HD12 LEU 16 HD12 LEU 16 -3.615 -1.877 3.431 160 HD13 LEU 16 HD13 LEU 16 -4.068 -0.360 4.215 161 HD21 LEU 16 HD21 LEU 16 -1.175 0.462 1.883 162 HD22 LEU 16 HD22 LEU 16 -2.847 0.905 2.232 163 HD23 LEU 16 HD23 LEU 16 -2.474 -0.684 1.563 164 H ASP 17 H ASP 17 0.516 0.767 6.896 165 HA ASP 17 HA ASP 17 0.301 3.440 7.808 166 HB2 ASP 17 HB2 ASP 17 1.529 0.981 9.106 167 HB3 ASP 17 HB3 ASP 17 1.288 2.509 9.949 168 H GLU 18 H GLU 18 3.115 1.607 6.663 169 HA GLU 18 HA GLU 18 5.043 3.646 7.303 170 HB2 GLU 18 HB2 GLU 18 5.090 1.251 5.442 171 HB3 GLU 18 HB3 GLU 18 6.434 2.378 5.504 172 HG2 GLU 18 HG2 GLU 18 5.409 0.754 7.847 173 HG3 GLU 18 HG3 GLU 18 6.820 0.357 6.869 174 H VAL 19 H VAL 19 3.058 2.930 4.414 175 HA VAL 19 HA VAL 19 4.317 4.806 2.656 176 HB VAL 19 HB VAL 19 1.562 3.480 2.472 177 HG11 VAL 19 HG11 VAL 19 1.559 4.086 0.073 178 HG12 VAL 19 HG12 VAL 19 3.053 5.001 0.297 179 HG13 VAL 19 HG13 VAL 19 1.573 5.522 1.099 180 HG21 VAL 19 HG21 VAL 19 4.163 2.786 1.040 181 HG22 VAL 19 HG22 VAL 19 2.617 1.954 0.850 182 HG23 VAL 19 HG23 VAL 19 3.467 1.892 2.390 183 H THR 20 H THR 20 1.653 5.088 4.962 184 HA THR 20 HA THR 20 0.621 7.618 4.110 185 HB THR 20 HB THR 20 -0.505 7.722 6.323 186 HG1 THR 20 HG1 THR 20 0.659 5.247 7.034 187 HG21 THR 20 HG21 THR 20 -0.631 4.940 5.093 188 HG22 THR 20 HG22 THR 20 -1.571 6.341 4.581 189 HG23 THR 20 HG23 THR 20 -1.833 5.638 6.177 190 H ASP 21 H ASP 21 2.877 6.743 6.787 191 HA ASP 21 HA ASP 21 3.632 9.497 7.292 192 HB2 ASP 21 HB2 ASP 21 4.746 6.862 8.340 193 HB3 ASP 21 HB3 ASP 21 5.327 8.447 8.862 194 H GLY 22 H GLY 22 4.626 7.200 4.983 195 HA2 GLY 22 HA2 GLY 22 7.179 8.569 4.381 196 HA3 GLY 22 HA3 GLY 22 6.590 7.078 3.660 197 H ALA 23 H ALA 23 4.165 9.429 3.868 198 HA ALA 23 HA ALA 23 4.178 9.893 0.963 199 HB1 ALA 23 HB1 ALA 23 1.840 10.562 1.292 200 HB2 ALA 23 HB2 ALA 23 2.035 10.434 3.044 201 HB3 ALA 23 HB3 ALA 23 2.152 8.992 2.035 202 HA PRO 24 HA PRO 24 4.740 14.465 1.476 203 HB2 PRO 24 HB2 PRO 24 3.437 15.309 -0.795 204 HB3 PRO 24 HB3 PRO 24 5.078 14.652 -0.830 205 HG2 PRO 24 HG2 PRO 24 2.471 13.259 -1.415 206 HG3 PRO 24 HG3 PRO 24 3.992 13.203 -2.328 207 HD2 PRO 24 HD2 PRO 24 3.273 11.219 -0.623 208 HD3 PRO 24 HD3 PRO 24 4.977 11.691 -0.837 209 H ASP 25 H ASP 25 3.253 16.348 1.797 210 HA ASP 25 HA ASP 25 1.455 15.721 3.789 211 HB2 ASP 25 HB2 ASP 25 0.787 18.199 3.665 212 HB3 ASP 25 HB3 ASP 25 2.494 17.840 3.875 213 H GLU 26 H GLU 26 0.446 16.955 0.555 214 HA GLU 26 HA GLU 26 -2.350 16.747 1.178 215 HB2 GLU 26 HB2 GLU 26 -2.734 17.410 -1.164 216 HB3 GLU 26 HB3 GLU 26 -1.571 18.463 -0.370 217 HG2 GLU 26 HG2 GLU 26 0.278 17.445 -1.547 218 HG3 GLU 26 HG3 GLU 26 -0.766 16.182 -2.205 219 H ALA 27 H ALA 27 -0.070 14.571 -0.415 220 HA ALA 27 HA ALA 27 -2.087 12.876 -1.625 221 HB1 ALA 27 HB1 ALA 27 0.890 12.375 -1.274 222 HB2 ALA 27 HB2 ALA 27 0.134 13.155 -2.665 223 HB3 ALA 27 HB3 ALA 27 -0.209 11.461 -2.312 224 H ARG 28 H ARG 28 -0.657 13.092 1.508 225 HA ARG 28 HA ARG 28 -0.617 10.435 2.373 226 HB2 ARG 28 HB2 ARG 28 0.402 12.211 3.719 227 HB3 ARG 28 HB3 ARG 28 -1.173 12.942 4.022 228 HG2 ARG 28 HG2 ARG 28 -1.868 10.912 5.268 229 HG3 ARG 28 HG3 ARG 28 -0.284 10.194 4.981 230 HD2 ARG 28 HD2 ARG 28 0.781 11.907 6.346 231 HD3 ARG 28 HD3 ARG 28 -0.758 12.762 6.524 232 HE ARG 28 HE ARG 28 -1.591 10.843 7.771 233 HH11 ARG 28 HH11 ARG 28 1.860 11.061 7.534 234 HH12 ARG 28 HH12 ARG 28 2.094 10.057 8.917 235 HH21 ARG 28 HH21 ARG 28 -1.234 9.561 9.500 236 HH22 ARG 28 HH22 ARG 28 0.385 9.224 10.014 237 H GLU 29 H GLU 29 -3.335 12.781 2.556 238 HA GLU 29 HA GLU 29 -5.151 11.128 3.942 239 HB2 GLU 29 HB2 GLU 29 -6.914 12.668 3.190 240 HB3 GLU 29 HB3 GLU 29 -5.494 13.546 3.741 241 HG2 GLU 29 HG2 GLU 29 -4.835 14.049 1.468 242 HG3 GLU 29 HG3 GLU 29 -6.093 13.000 0.821 243 H ARG 30 H ARG 30 -4.514 11.405 0.454 244 HA ARG 30 HA ARG 30 -6.596 9.810 -0.591 245 HB2 ARG 30 HB2 ARG 30 -5.138 11.192 -2.020 246 HB3 ARG 30 HB3 ARG 30 -3.736 10.230 -1.580 247 HG2 ARG 30 HG2 ARG 30 -4.442 9.650 -3.832 248 HG3 ARG 30 HG3 ARG 30 -4.725 8.272 -2.769 249 HD2 ARG 30 HD2 ARG 30 -7.107 8.770 -2.677 250 HD3 ARG 30 HD3 ARG 30 -6.869 10.262 -3.596 251 HE ARG 30 HE ARG 30 -5.936 7.981 -5.042 252 HH11 ARG 30 HH11 ARG 30 -8.873 9.634 -4.211 253 HH12 ARG 30 HH12 ARG 30 -9.692 9.086 -5.631 254 HH21 ARG 30 HH21 ARG 30 -7.033 7.307 -6.836 255 HH22 ARG 30 HH22 ARG 30 -8.680 7.779 -7.074 256 H ILE 31 H ILE 31 -3.332 8.984 0.509 257 HA ILE 31 HA ILE 31 -3.436 6.192 0.080 258 HB ILE 31 HB ILE 31 -1.707 7.750 2.060 259 HG12 ILE 31 HG12 ILE 31 -1.146 6.900 -0.814 260 HG13 ILE 31 HG13 ILE 31 -1.503 8.539 -0.296 261 HG21 ILE 31 HG21 ILE 31 -1.303 4.944 0.924 262 HG22 ILE 31 HG22 ILE 31 -1.735 5.328 2.591 263 HG23 ILE 31 HG23 ILE 31 -0.161 5.808 1.957 264 HD11 ILE 31 HD11 ILE 31 0.838 8.256 -0.717 265 HD12 ILE 31 HD12 ILE 31 0.924 6.932 0.440 266 HD13 ILE 31 HD13 ILE 31 0.565 8.565 0.996 267 H GLU 32 H GLU 32 -4.054 8.125 3.071 268 HA GLU 32 HA GLU 32 -4.358 5.931 4.827 269 HB2 GLU 32 HB2 GLU 32 -5.481 8.755 5.111 270 HB3 GLU 32 HB3 GLU 32 -5.419 7.566 6.408 271 HG2 GLU 32 HG2 GLU 32 -2.873 7.537 6.020 272 HG3 GLU 32 HG3 GLU 32 -3.116 8.988 5.066 273 H LYS 33 H LYS 33 -6.720 7.633 2.826 274 HA LYS 33 HA LYS 33 -9.091 6.435 3.855 275 HB2 LYS 33 HB2 LYS 33 -9.121 8.497 2.483 276 HB3 LYS 33 HB3 LYS 33 -8.531 7.599 1.088 277 HG2 LYS 33 HG2 LYS 33 -10.621 6.258 1.073 278 HG3 LYS 33 HG3 LYS 33 -11.210 7.175 2.462 279 HD2 LYS 33 HD2 LYS 33 -11.192 9.254 1.114 280 HD3 LYS 33 HD3 LYS 33 -10.568 8.357 -0.276 281 HE2 LYS 33 HE2 LYS 33 -13.253 7.896 1.067 282 HE3 LYS 33 HE3 LYS 33 -13.001 8.737 -0.463 283 HZ1 LYS 33 HZ1 LYS 33 -13.682 6.462 -0.821 284 HZ2 LYS 33 HZ2 LYS 33 -12.369 5.885 0.067 285 HZ3 LYS 33 HZ3 LYS 33 -12.109 6.690 -1.396 286 H LEU 34 H LEU 34 -7.161 5.699 0.912 287 HA LEU 34 HA LEU 34 -8.638 3.378 0.169 288 HB2 LEU 34 HB2 LEU 34 -7.274 4.785 -1.398 289 HB3 LEU 34 HB3 LEU 34 -5.812 4.155 -0.658 290 HG LEU 34 HG LEU 34 -6.364 1.869 -1.478 291 HD11 LEU 34 HD11 LEU 34 -8.795 3.139 -2.791 292 HD12 LEU 34 HD12 LEU 34 -8.813 1.979 -1.460 293 HD13 LEU 34 HD13 LEU 34 -8.230 1.485 -3.047 294 HD21 LEU 34 HD21 LEU 34 -6.443 3.945 -3.705 295 HD22 LEU 34 HD22 LEU 34 -5.994 2.246 -3.886 296 HD23 LEU 34 HD23 LEU 34 -4.988 3.321 -2.921 297 H ALA 35 H ALA 35 -5.886 3.868 2.254 298 HA ALA 35 HA ALA 35 -4.954 1.189 2.559 299 HB1 ALA 35 HB1 ALA 35 -4.704 3.568 4.445 300 HB2 ALA 35 HB2 ALA 35 -3.566 3.128 3.172 301 HB3 ALA 35 HB3 ALA 35 -3.783 2.064 4.559 302 H LYS 36 H LYS 36 -7.150 3.248 4.446 303 HA LYS 36 HA LYS 36 -7.991 1.509 6.462 304 HB2 LYS 36 HB2 LYS 36 -8.591 3.919 6.343 305 HB3 LYS 36 HB3 LYS 36 -9.593 3.609 4.931 306 HG2 LYS 36 HG2 LYS 36 -10.891 1.969 6.540 307 HG3 LYS 36 HG3 LYS 36 -10.109 2.900 7.818 308 HD2 LYS 36 HD2 LYS 36 -12.333 3.809 7.386 309 HD3 LYS 36 HD3 LYS 36 -11.118 4.987 6.882 310 HE2 LYS 36 HE2 LYS 36 -11.460 4.453 4.554 311 HE3 LYS 36 HE3 LYS 36 -12.453 3.051 4.957 312 HZ1 LYS 36 HZ1 LYS 36 -14.093 4.581 5.908 313 HZ2 LYS 36 HZ2 LYS 36 -13.829 4.870 4.265 314 HZ3 LYS 36 HZ3 LYS 36 -13.151 5.897 5.421 315 H ASP 37 H ASP 37 -9.351 2.061 3.209 316 HA ASP 37 HA ASP 37 -11.461 0.268 3.196 317 HB2 ASP 37 HB2 ASP 37 -9.702 1.069 0.838 318 HB3 ASP 37 HB3 ASP 37 -11.286 0.304 0.707 319 H VAL 38 H VAL 38 -8.070 -0.349 2.142 320 HA VAL 38 HA VAL 38 -8.321 -3.011 1.304 321 HB VAL 38 HB VAL 38 -5.871 -1.730 2.627 322 HG11 VAL 38 HG11 VAL 38 -5.652 -4.183 2.689 323 HG12 VAL 38 HG12 VAL 38 -4.510 -3.500 1.534 324 HG13 VAL 38 HG13 VAL 38 -5.985 -4.282 0.959 325 HG21 VAL 38 HG21 VAL 38 -5.033 -1.357 0.338 326 HG22 VAL 38 HG22 VAL 38 -6.572 -0.540 0.586 327 HG23 VAL 38 HG23 VAL 38 -6.518 -2.041 -0.332 328 H LYS 39 H LYS 39 -7.758 -1.729 4.589 329 HA LYS 39 HA LYS 39 -7.250 -4.213 5.875 330 HB2 LYS 39 HB2 LYS 39 -8.148 -1.536 7.005 331 HB3 LYS 39 HB3 LYS 39 -7.668 -2.909 8.003 332 HG2 LYS 39 HG2 LYS 39 -5.407 -2.872 6.986 333 HG3 LYS 39 HG3 LYS 39 -5.883 -1.504 5.978 334 HD2 LYS 39 HD2 LYS 39 -6.200 -0.111 8.000 335 HD3 LYS 39 HD3 LYS 39 -5.764 -1.484 9.022 336 HE2 LYS 39 HE2 LYS 39 -3.500 -1.511 8.021 337 HE3 LYS 39 HE3 LYS 39 -3.934 -0.142 6.994 338 HZ1 LYS 39 HZ1 LYS 39 -3.879 -0.109 9.963 339 HZ2 LYS 39 HZ2 LYS 39 -4.234 1.203 8.959 340 HZ3 LYS 39 HZ3 LYS 39 -2.682 0.534 8.955 341 H ASP 40 H ASP 40 -10.328 -2.426 5.411 342 HA ASP 40 HA ASP 40 -11.984 -4.262 6.852 343 HB2 ASP 40 HB2 ASP 40 -12.666 -2.370 4.557 344 HB3 ASP 40 HB3 ASP 40 -13.865 -3.239 5.511 345 H GLU 41 H GLU 41 -10.877 -4.117 3.498 346 HA GLU 41 HA GLU 41 -12.500 -6.196 2.409 347 HB2 GLU 41 HB2 GLU 41 -9.839 -5.098 1.415 348 HB3 GLU 41 HB3 GLU 41 -10.954 -6.075 0.464 349 HG2 GLU 41 HG2 GLU 41 -11.701 -3.374 1.618 350 HG3 GLU 41 HG3 GLU 41 -10.978 -3.574 0.032 351 H LEU 42 H LEU 42 -9.374 -6.200 4.041 352 HA LEU 42 HA LEU 42 -8.456 -8.792 3.484 353 HB2 LEU 42 HB2 LEU 42 -8.162 -7.156 6.032 354 HB3 LEU 42 HB3 LEU 42 -7.276 -8.640 5.721 355 HG LEU 42 HG LEU 42 -7.029 -6.093 4.065 356 HD11 LEU 42 HD11 LEU 42 -6.080 -5.767 6.299 357 HD12 LEU 42 HD12 LEU 42 -4.813 -5.809 5.075 358 HD13 LEU 42 HD13 LEU 42 -5.089 -7.215 6.106 359 HD21 LEU 42 HD21 LEU 42 -5.093 -7.175 2.994 360 HD22 LEU 42 HD22 LEU 42 -6.575 -8.080 2.699 361 HD23 LEU 42 HD23 LEU 42 -5.413 -8.661 3.896 362 H GLU 43 H GLU 43 -10.978 -7.732 5.723 363 HA GLU 43 HA GLU 43 -11.521 -10.398 6.749 364 HB2 GLU 43 HB2 GLU 43 -13.100 -7.797 6.946 365 HB3 GLU 43 HB3 GLU 43 -13.598 -9.305 7.710 366 HG2 GLU 43 HG2 GLU 43 -11.452 -9.297 9.008 367 HG3 GLU 43 HG3 GLU 43 -11.084 -7.722 8.311 368 H GLU 44 H GLU 44 -13.355 -8.121 4.640 369 HA GLU 44 HA GLU 44 -14.324 -10.339 2.993 370 HB2 GLU 44 HB2 GLU 44 -15.908 -9.809 5.100 371 HB3 GLU 44 HB3 GLU 44 -16.464 -8.483 4.099 372 HG2 GLU 44 HG2 GLU 44 -16.581 -11.422 3.331 373 HG3 GLU 44 HG3 GLU 44 -17.918 -10.494 3.987 374 H GLY 45 H GLY 45 -14.236 -9.723 0.930 375 HA2 GLY 45 HA2 GLY 45 -15.225 -7.766 -0.545 376 HA3 GLY 45 HA3 GLY 45 -13.896 -6.882 0.205 377 H ASP 46 H ASP 46 -12.958 -6.537 -1.846 378 HA ASP 46 HA ASP 46 -12.124 -8.561 -3.654 379 HB2 ASP 46 HB2 ASP 46 -11.199 -5.695 -3.242 380 HB3 ASP 46 HB3 ASP 46 -10.660 -6.705 -4.577 381 H ALA 47 H ALA 47 -10.378 -6.800 -1.100 382 HA ALA 47 HA ALA 47 -8.482 -7.082 0.071 383 HB1 ALA 47 HB1 ALA 47 -8.836 -10.029 -0.509 384 HB2 ALA 47 HB2 ALA 47 -9.622 -9.133 0.790 385 HB3 ALA 47 HB3 ALA 47 -7.867 -9.324 0.787 386 H LYS 48 H LYS 48 -7.736 -9.751 -2.261 387 HA LYS 48 HA LYS 48 -5.046 -8.851 -2.617 388 HB2 LYS 48 HB2 LYS 48 -5.591 -11.221 -2.843 389 HB3 LYS 48 HB3 LYS 48 -6.658 -10.895 -4.204 390 HG2 LYS 48 HG2 LYS 48 -4.470 -11.853 -4.900 391 HG3 LYS 48 HG3 LYS 48 -4.770 -10.263 -5.608 392 HD2 LYS 48 HD2 LYS 48 -3.301 -9.235 -3.867 393 HD3 LYS 48 HD3 LYS 48 -2.978 -10.842 -3.210 394 HE2 LYS 48 HE2 LYS 48 -2.270 -9.914 -6.010 395 HE3 LYS 48 HE3 LYS 48 -1.148 -10.034 -4.655 396 HZ1 LYS 48 HZ1 LYS 48 -1.594 -12.413 -4.563 397 HZ2 LYS 48 HZ2 LYS 48 -0.967 -11.950 -6.059 398 HZ3 LYS 48 HZ3 LYS 48 -2.615 -12.287 -5.902 399 H ASN 49 H ASN 49 -7.976 -8.527 -4.627 400 HA ASN 49 HA ASN 49 -6.813 -7.144 -6.803 401 HB2 ASN 49 HB2 ASN 49 -9.093 -8.095 -6.894 402 HB3 ASN 49 HB3 ASN 49 -9.642 -6.936 -5.693 403 HD21 ASN 49 HD21 ASN 49 -11.203 -6.053 -7.044 404 HD22 ASN 49 HD22 ASN 49 -10.819 -5.085 -8.417 405 H MET 50 H MET 50 -7.908 -6.026 -3.620 406 HA MET 50 HA MET 50 -7.670 -3.221 -3.980 407 HB2 MET 50 HB2 MET 50 -7.324 -4.917 -1.474 408 HB3 MET 50 HB3 MET 50 -7.450 -3.162 -1.472 409 HG2 MET 50 HG2 MET 50 -9.601 -4.980 -2.556 410 HG3 MET 50 HG3 MET 50 -9.554 -4.386 -0.899 411 HE1 MET 50 HE1 MET 50 -8.398 -1.379 -1.338 412 HE2 MET 50 HE2 MET 50 -9.685 -1.850 -0.226 413 HE3 MET 50 HE3 MET 50 -9.945 -0.525 -1.363 414 H ILE 51 H ILE 51 -5.283 -5.706 -3.179 415 HA ILE 51 HA ILE 51 -3.130 -4.019 -2.397 416 HB ILE 51 HB ILE 51 -3.036 -6.842 -3.562 417 HG12 ILE 51 HG12 ILE 51 -3.028 -5.962 -0.636 418 HG13 ILE 51 HG13 ILE 51 -4.414 -6.634 -1.483 419 HG21 ILE 51 HG21 ILE 51 -0.808 -5.769 -3.698 420 HG22 ILE 51 HG22 ILE 51 -0.802 -7.066 -2.504 421 HG23 ILE 51 HG23 ILE 51 -0.872 -5.383 -1.977 422 HD11 ILE 51 HD11 ILE 51 -3.192 -8.731 -1.797 423 HD12 ILE 51 HD12 ILE 51 -3.376 -8.296 -0.100 424 HD13 ILE 51 HD13 ILE 51 -1.826 -8.057 -0.903 425 H GLU 52 H GLU 52 -3.953 -5.537 -5.550 426 HA GLU 52 HA GLU 52 -1.719 -4.396 -6.951 427 HB2 GLU 52 HB2 GLU 52 -2.713 -5.309 -8.994 428 HB3 GLU 52 HB3 GLU 52 -2.734 -6.506 -7.705 429 HG2 GLU 52 HG2 GLU 52 -5.124 -6.042 -7.309 430 HG3 GLU 52 HG3 GLU 52 -5.106 -4.847 -8.602 431 H LYS 53 H LYS 53 -5.086 -3.374 -6.448 432 HA LYS 53 HA LYS 53 -5.050 -1.194 -8.334 433 HB2 LYS 53 HB2 LYS 53 -6.809 -1.663 -5.886 434 HB3 LYS 53 HB3 LYS 53 -7.033 -0.309 -6.991 435 HG2 LYS 53 HG2 LYS 53 -7.299 -3.250 -7.673 436 HG3 LYS 53 HG3 LYS 53 -8.615 -2.090 -7.493 437 HD2 LYS 53 HD2 LYS 53 -7.752 -0.823 -9.443 438 HD3 LYS 53 HD3 LYS 53 -6.446 -1.998 -9.622 439 HE2 LYS 53 HE2 LYS 53 -8.117 -3.780 -10.044 440 HE3 LYS 53 HE3 LYS 53 -9.415 -2.591 -9.884 441 HZ1 LYS 53 HZ1 LYS 53 -8.886 -2.985 -12.190 442 HZ2 LYS 53 HZ2 LYS 53 -7.269 -2.572 -11.933 443 HZ3 LYS 53 HZ3 LYS 53 -8.477 -1.399 -11.773 444 H PHE 54 H PHE 54 -4.299 -1.479 -4.902 445 HA PHE 54 HA PHE 54 -3.660 1.249 -4.426 446 HB2 PHE 54 HB2 PHE 54 -4.199 -0.365 -2.594 447 HB3 PHE 54 HB3 PHE 54 -2.707 -1.235 -2.924 448 HD1 PHE 54 HD2 PHE 54 -4.115 1.932 -1.573 449 HD2 PHE 54 HD1 PHE 54 -0.557 -0.382 -2.116 450 HE1 PHE 54 HE2 PHE 54 -2.907 3.423 -0.040 451 HE2 PHE 54 HE1 PHE 54 0.643 1.118 -0.594 452 HZ PHE 54 HZ PHE 54 -0.520 3.013 0.447 453 H ARG 55 H ARG 55 -1.854 -1.481 -5.734 454 HA ARG 55 HA ARG 55 0.777 -0.436 -5.550 455 HB2 ARG 55 HB2 ARG 55 0.088 -2.846 -6.033 456 HB3 ARG 55 HB3 ARG 55 -0.309 -2.356 -7.667 457 HG2 ARG 55 HG2 ARG 55 2.481 -2.070 -6.514 458 HG3 ARG 55 HG3 ARG 55 1.932 -3.542 -7.299 459 HD2 ARG 55 HD2 ARG 55 2.294 -0.803 -8.548 460 HD3 ARG 55 HD3 ARG 55 3.186 -2.280 -8.916 461 HE ARG 55 HE ARG 55 0.287 -2.136 -9.475 462 HH11 ARG 55 HH11 ARG 55 3.500 -2.415 -10.718 463 HH12 ARG 55 HH12 ARG 55 2.948 -2.787 -12.307 464 HH21 ARG 55 HH21 ARG 55 -0.374 -2.580 -11.511 465 HH22 ARG 55 HH22 ARG 55 0.795 -2.881 -12.749 466 H ASP 56 H ASP 56 -1.553 -0.439 -8.305 467 HA ASP 56 HA ASP 56 -0.099 1.151 -10.107 468 HB2 ASP 56 HB2 ASP 56 -3.092 0.677 -9.771 469 HB3 ASP 56 HB3 ASP 56 -2.457 1.677 -11.075 470 H GLU 57 H GLU 57 -2.525 2.127 -7.680 471 HA GLU 57 HA GLU 57 -2.444 4.925 -8.054 472 HB2 GLU 57 HB2 GLU 57 -4.246 3.781 -6.799 473 HB3 GLU 57 HB3 GLU 57 -3.102 3.299 -5.554 474 HG2 GLU 57 HG2 GLU 57 -4.475 5.171 -4.790 475 HG3 GLU 57 HG3 GLU 57 -2.785 5.656 -4.908 476 H MET 58 H MET 58 -0.501 2.789 -5.989 477 HA MET 58 HA MET 58 0.991 4.686 -4.577 478 HB2 MET 58 HB2 MET 58 0.901 2.277 -3.998 479 HB3 MET 58 HB3 MET 58 1.842 1.888 -5.436 480 HG2 MET 58 HG2 MET 58 3.231 1.872 -3.432 481 HG3 MET 58 HG3 MET 58 3.738 3.153 -4.538 482 HE1 MET 58 HE1 MET 58 5.049 4.591 -2.848 483 HE2 MET 58 HE2 MET 58 4.859 3.213 -1.757 484 HE3 MET 58 HE3 MET 58 4.519 4.848 -1.185 485 H GLU 59 H GLU 59 1.638 3.136 -7.715 486 HA GLU 59 HA GLU 59 4.128 4.370 -8.270 487 HB2 GLU 59 HB2 GLU 59 2.019 3.254 -10.158 488 HB3 GLU 59 HB3 GLU 59 3.623 3.768 -10.676 489 HG2 GLU 59 HG2 GLU 59 4.647 2.060 -9.210 490 HG3 GLU 59 HG3 GLU 59 3.039 1.533 -8.708 491 H GLN 60 H GLN 60 0.789 5.413 -8.859 492 HA GLN 60 HA GLN 60 1.270 7.717 -10.429 493 HB2 GLN 60 HB2 GLN 60 -0.949 7.078 -8.444 494 HB3 GLN 60 HB3 GLN 60 -0.979 8.489 -9.494 495 HG2 GLN 60 HG2 GLN 60 -1.190 7.149 -11.459 496 HG3 GLN 60 HG3 GLN 60 -0.785 5.672 -10.587 497 HE21 GLN 60 HE21 GLN 60 -3.068 8.050 -9.304 498 HE22 GLN 60 HE22 GLN 60 -4.457 7.044 -9.469 499 H MET 61 H MET 61 0.984 7.344 -6.869 500 HA MET 61 HA MET 61 1.297 10.154 -6.304 501 HB2 MET 61 HB2 MET 61 1.349 7.733 -4.460 502 HB3 MET 61 HB3 MET 61 1.277 9.406 -3.917 503 HG2 MET 61 HG2 MET 61 -0.917 9.693 -4.930 504 HG3 MET 61 HG3 MET 61 -0.840 8.077 -5.635 505 HE1 MET 61 HE1 MET 61 0.423 6.349 -3.224 506 HE2 MET 61 HE2 MET 61 -0.954 5.815 -4.191 507 HE3 MET 61 HE3 MET 61 -1.049 5.799 -2.428 508 H TYR 62 H TYR 62 3.435 7.369 -6.326 509 HA TYR 62 HA TYR 62 5.659 8.605 -5.003 510 HB2 TYR 62 HB2 TYR 62 5.591 6.232 -4.815 511 HB3 TYR 62 HB3 TYR 62 5.308 6.009 -6.539 512 HD1 TYR 62 HD1 TYR 62 7.940 7.189 -4.113 513 HD2 TYR 62 HD2 TYR 62 7.142 5.538 -7.989 514 HE1 TYR 62 HE1 TYR 62 10.338 6.937 -4.520 515 HE2 TYR 62 HE2 TYR 62 9.550 5.296 -8.372 516 HH TYR 62 HH TYR 62 11.852 5.692 -5.881 517 H LYS 63 H LYS 63 4.938 7.910 -8.458 518 HA LYS 63 HA LYS 63 7.478 8.680 -9.448 519 HB2 LYS 63 HB2 LYS 63 5.796 7.191 -10.585 520 HB3 LYS 63 HB3 LYS 63 4.844 8.611 -10.975 521 HG2 LYS 63 HG2 LYS 63 7.713 8.490 -11.897 522 HG3 LYS 63 HG3 LYS 63 6.510 7.515 -12.737 523 HD2 LYS 63 HD2 LYS 63 5.190 9.581 -13.196 524 HD3 LYS 63 HD3 LYS 63 6.440 10.537 -12.397 525 HE2 LYS 63 HE2 LYS 63 8.075 9.885 -14.092 526 HE3 LYS 63 HE3 LYS 63 6.904 8.806 -14.854 527 HZ1 LYS 63 HZ1 LYS 63 7.059 10.870 -16.057 528 HZ2 LYS 63 HZ2 LYS 63 6.691 11.764 -14.669 529 HZ3 LYS 63 HZ3 LYS 63 5.530 10.745 -15.350 530 H ASP 64 H ASP 64 4.459 10.486 -9.039 531 HA ASP 64 HA ASP 64 5.537 12.969 -10.115 532 HB2 ASP 64 HB2 ASP 64 2.866 12.263 -8.831 533 HB3 ASP 64 HB3 ASP 64 3.259 13.875 -9.427 534 H ALA 65 H ALA 65 5.663 11.449 -7.043 535 HA ALA 65 HA ALA 65 6.893 13.810 -5.860 536 HB1 ALA 65 HB1 ALA 65 4.505 14.183 -5.332 537 HB2 ALA 65 HB2 ALA 65 5.450 13.900 -3.869 538 HB3 ALA 65 HB3 ALA 65 4.435 12.613 -4.525 539 HA PRO 66 HA PRO 66 8.800 9.765 -4.417 540 HB2 PRO 66 HB2 PRO 66 11.364 10.627 -5.543 541 HB3 PRO 66 HB3 PRO 66 10.355 9.263 -6.037 542 HG2 PRO 66 HG2 PRO 66 10.762 11.504 -7.597 543 HG3 PRO 66 HG3 PRO 66 9.317 10.478 -7.708 544 HD2 PRO 66 HD2 PRO 66 9.676 13.101 -6.247 545 HD3 PRO 66 HD3 PRO 66 8.321 12.556 -7.267 546 H ASN 67 H ASN 67 9.106 9.957 -2.241 547 HA ASN 67 HA ASN 67 10.737 12.098 -1.086 548 HB2 ASN 67 HB2 ASN 67 9.088 9.894 0.204 549 HB3 ASN 67 HB3 ASN 67 10.015 11.084 1.117 550 HD21 ASN 67 HD21 ASN 67 7.128 10.638 1.088 551 HD22 ASN 67 HD22 ASN 67 6.431 12.148 0.644 552 H ALA 68 H ALA 68 10.843 8.732 0.167 553 HA ALA 68 HA ALA 68 13.440 8.127 -0.927 554 HB1 ALA 68 HB1 ALA 68 13.320 8.669 2.065 555 HB2 ALA 68 HB2 ALA 68 14.129 9.688 0.877 556 HB3 ALA 68 HB3 ALA 68 14.720 8.052 1.182 557 H VAL 69 H VAL 69 11.963 7.134 2.214 558 HA VAL 69 HA VAL 69 12.295 4.361 1.732 559 HB VAL 69 HB VAL 69 12.029 5.374 4.018 560 HG11 VAL 69 HG11 VAL 69 10.149 6.888 3.610 561 HG12 VAL 69 HG12 VAL 69 9.791 5.805 4.952 562 HG13 VAL 69 HG13 VAL 69 9.063 5.518 3.371 563 HG21 VAL 69 HG21 VAL 69 10.139 3.056 3.420 564 HG22 VAL 69 HG22 VAL 69 10.771 3.475 5.014 565 HG23 VAL 69 HG23 VAL 69 11.871 2.936 3.746 566 H MET 70 H MET 70 9.784 6.587 0.850 567 HA MET 70 HA MET 70 7.542 5.072 0.351 568 HB2 MET 70 HB2 MET 70 7.839 7.598 0.152 569 HB3 MET 70 HB3 MET 70 8.556 7.338 -1.431 570 HG2 MET 70 HG2 MET 70 6.458 6.415 -2.260 571 HG3 MET 70 HG3 MET 70 5.745 6.534 -0.652 572 HE1 MET 70 HE1 MET 70 3.626 7.921 -1.366 573 HE2 MET 70 HE2 MET 70 4.140 7.670 -3.037 574 HE3 MET 70 HE3 MET 70 3.702 9.285 -2.481 575 H GLU 71 H GLU 71 10.471 5.285 -1.629 576 HA GLU 71 HA GLU 71 9.625 3.827 -3.915 577 HB2 GLU 71 HB2 GLU 71 11.687 5.213 -3.844 578 HB3 GLU 71 HB3 GLU 71 12.401 4.122 -2.662 579 HG2 GLU 71 HG2 GLU 71 12.371 2.295 -4.360 580 HG3 GLU 71 HG3 GLU 71 11.720 3.429 -5.544 581 H GLN 72 H GLN 72 11.458 2.749 -1.034 582 HA GLN 72 HA GLN 72 11.690 0.014 -1.631 583 HB2 GLN 72 HB2 GLN 72 11.495 1.313 1.127 584 HB3 GLN 72 HB3 GLN 72 12.120 -0.302 0.802 585 HG2 GLN 72 HG2 GLN 72 13.968 0.702 -0.529 586 HG3 GLN 72 HG3 GLN 72 13.352 2.307 -0.139 587 HE21 GLN 72 HE21 GLN 72 13.590 3.073 2.004 588 HE22 GLN 72 HE22 GLN 72 14.666 2.332 3.129 589 H LEU 73 H LEU 73 9.072 1.805 -0.158 590 HA LEU 73 HA LEU 73 7.538 -0.423 0.804 591 HB2 LEU 73 HB2 LEU 73 6.711 2.457 0.292 592 HB3 LEU 73 HB3 LEU 73 5.800 1.281 1.235 593 HG LEU 73 HG LEU 73 8.580 2.265 1.966 594 HD11 LEU 73 HD11 LEU 73 5.932 3.132 3.141 595 HD12 LEU 73 HD12 LEU 73 6.998 4.112 2.131 596 HD13 LEU 73 HD13 LEU 73 7.530 3.596 3.729 597 HD21 LEU 73 HD21 LEU 73 6.629 0.579 3.566 598 HD22 LEU 73 HD22 LEU 73 8.177 1.196 4.146 599 HD23 LEU 73 HD23 LEU 73 8.138 0.020 2.836 600 H LEU 74 H LEU 74 7.576 1.453 -2.198 601 HA LEU 74 HA LEU 74 5.192 0.441 -3.355 602 HB2 LEU 74 HB2 LEU 74 6.635 2.446 -4.100 603 HB3 LEU 74 HB3 LEU 74 7.664 1.285 -4.916 604 HG LEU 74 HG LEU 74 4.691 1.523 -5.550 605 HD11 LEU 74 HD11 LEU 74 5.259 2.956 -7.460 606 HD12 LEU 74 HD12 LEU 74 6.935 3.033 -6.910 607 HD13 LEU 74 HD13 LEU 74 5.644 3.723 -5.921 608 HD21 LEU 74 HD21 LEU 74 5.284 0.515 -7.711 609 HD22 LEU 74 HD22 LEU 74 5.731 -0.535 -6.372 610 HD23 LEU 74 HD23 LEU 74 6.973 0.400 -7.205 611 H GLU 75 H GLU 75 8.589 -0.600 -3.585 612 HA GLU 75 HA GLU 75 8.198 -2.955 -5.096 613 HB2 GLU 75 HB2 GLU 75 10.420 -1.933 -3.331 614 HB3 GLU 75 HB3 GLU 75 10.470 -3.615 -3.852 615 HG2 GLU 75 HG2 GLU 75 11.803 -2.267 -5.334 616 HG3 GLU 75 HG3 GLU 75 10.415 -2.900 -6.205 617 H GLU 76 H GLU 76 7.888 -2.374 -1.618 618 HA GLU 76 HA GLU 76 7.813 -5.064 -0.742 619 HB2 GLU 76 HB2 GLU 76 8.047 -3.130 0.805 620 HB3 GLU 76 HB3 GLU 76 6.401 -2.633 0.445 621 HG2 GLU 76 HG2 GLU 76 6.463 -3.735 2.599 622 HG3 GLU 76 HG3 GLU 76 5.551 -4.720 1.463 623 H ILE 77 H ILE 77 5.238 -2.911 -1.941 624 HA ILE 77 HA ILE 77 3.018 -4.660 -1.663 625 HB ILE 77 HB ILE 77 3.373 -2.531 -3.828 626 HG12 ILE 77 HG12 ILE 77 2.138 -2.128 -1.065 627 HG13 ILE 77 HG13 ILE 77 3.798 -1.699 -1.452 628 HG21 ILE 77 HG21 ILE 77 0.831 -3.694 -2.592 629 HG22 ILE 77 HG22 ILE 77 1.422 -3.995 -4.226 630 HG23 ILE 77 HG23 ILE 77 0.884 -2.379 -3.772 631 HD11 ILE 77 HD11 ILE 77 3.025 -0.087 -3.086 632 HD12 ILE 77 HD12 ILE 77 2.313 0.215 -1.501 633 HD13 ILE 77 HD13 ILE 77 1.349 -0.544 -2.766 634 H GLU 78 H GLU 78 5.351 -4.189 -4.318 635 HA GLU 78 HA GLU 78 4.334 -5.919 -6.278 636 HB2 GLU 78 HB2 GLU 78 6.201 -4.349 -6.655 637 HB3 GLU 78 HB3 GLU 78 7.230 -5.280 -5.575 638 HG2 GLU 78 HG2 GLU 78 6.966 -7.234 -7.195 639 HG3 GLU 78 HG3 GLU 78 6.197 -6.105 -8.305 640 H LYS 79 H LYS 79 6.377 -6.615 -3.464 641 HA LYS 79 HA LYS 79 6.844 -9.392 -3.990 642 HB2 LYS 79 HB2 LYS 79 7.023 -7.874 -1.342 643 HB3 LYS 79 HB3 LYS 79 7.756 -9.442 -1.691 644 HG2 LYS 79 HG2 LYS 79 9.260 -8.460 -3.316 645 HG3 LYS 79 HG3 LYS 79 8.431 -6.911 -3.212 646 HD2 LYS 79 HD2 LYS 79 9.165 -6.819 -0.761 647 HD3 LYS 79 HD3 LYS 79 10.199 -8.208 -1.111 648 HE2 LYS 79 HE2 LYS 79 10.348 -5.446 -2.360 649 HE3 LYS 79 HE3 LYS 79 11.526 -6.191 -1.281 650 HZ1 LYS 79 HZ1 LYS 79 10.867 -7.135 -4.022 651 HZ2 LYS 79 HZ2 LYS 79 12.013 -7.817 -2.989 652 HZ3 LYS 79 HZ3 LYS 79 12.241 -6.254 -3.581 653 H LEU 80 H LEU 80 4.348 -7.623 -2.227 654 HA LEU 80 HA LEU 80 2.969 -9.945 -1.241 655 HB2 LEU 80 HB2 LEU 80 2.414 -7.000 -1.241 656 HB3 LEU 80 HB3 LEU 80 1.022 -8.056 -1.073 657 HG LEU 80 HG LEU 80 1.868 -7.326 1.134 658 HD11 LEU 80 HD11 LEU 80 1.982 -9.524 2.226 659 HD12 LEU 80 HD12 LEU 80 2.281 -10.302 0.671 660 HD13 LEU 80 HD13 LEU 80 0.739 -9.500 0.976 661 HD21 LEU 80 HD21 LEU 80 4.253 -7.045 0.582 662 HD22 LEU 80 HD22 LEU 80 4.440 -8.795 0.442 663 HD23 LEU 80 HD23 LEU 80 4.040 -8.069 2.000 664 H LEU 81 H LEU 81 2.791 -8.142 -4.278 665 HA LEU 81 HA LEU 81 0.413 -9.266 -5.307 666 HB2 LEU 81 HB2 LEU 81 2.945 -8.548 -6.835 667 HB3 LEU 81 HB3 LEU 81 1.387 -8.884 -7.573 668 HG LEU 81 HG LEU 81 2.064 -6.511 -5.795 669 HD11 LEU 81 HD11 LEU 81 1.617 -5.161 -7.803 670 HD12 LEU 81 HD12 LEU 81 1.359 -6.633 -8.741 671 HD13 LEU 81 HD13 LEU 81 2.949 -6.287 -8.058 672 HD21 LEU 81 HD21 LEU 81 -0.234 -5.708 -6.226 673 HD22 LEU 81 HD22 LEU 81 -0.224 -7.209 -5.304 674 HD23 LEU 81 HD23 LEU 81 -0.616 -7.237 -7.025 675 H LYS 82 H LYS 82 3.709 -10.524 -5.205 676 HA LYS 82 HA LYS 82 3.143 -13.072 -6.408 677 HB2 LYS 82 HB2 LYS 82 5.412 -12.058 -6.369 678 HB3 LYS 82 HB3 LYS 82 5.441 -12.164 -4.613 679 HG2 LYS 82 HG2 LYS 82 6.796 -13.939 -5.530 680 HG3 LYS 82 HG3 LYS 82 5.360 -14.651 -4.790 681 HD2 LYS 82 HD2 LYS 82 4.332 -14.910 -7.030 682 HD3 LYS 82 HD3 LYS 82 5.747 -14.153 -7.769 683 HE2 LYS 82 HE2 LYS 82 7.163 -16.012 -6.917 684 HE3 LYS 82 HE3 LYS 82 5.727 -16.785 -6.243 685 HZ1 LYS 82 HZ1 LYS 82 6.370 -17.713 -8.392 686 HZ2 LYS 82 HZ2 LYS 82 6.159 -16.200 -9.121 687 HZ3 LYS 82 HZ3 LYS 82 4.835 -17.009 -8.456 688 H LYS 83 H LYS 83 3.508 -11.953 -3.029 689 HA LYS 83 HA LYS 83 3.524 -14.524 -1.828 690 HB2 LYS 83 HB2 LYS 83 4.652 -12.613 -0.799 691 HB3 LYS 83 HB3 LYS 83 3.122 -11.770 -0.594 692 HG2 LYS 83 HG2 LYS 83 2.378 -13.494 1.012 693 HG3 LYS 83 HG3 LYS 83 3.899 -14.358 0.797 694 HD2 LYS 83 HD2 LYS 83 5.142 -12.459 1.755 695 HD3 LYS 83 HD3 LYS 83 3.645 -11.532 1.911 696 HE2 LYS 83 HE2 LYS 83 4.334 -12.514 4.069 697 HE3 LYS 83 HE3 LYS 83 2.786 -13.167 3.537 698 HZ1 LYS 83 HZ1 LYS 83 5.424 -14.511 3.290 699 HZ2 LYS 83 HZ2 LYS 83 3.960 -15.140 2.730 700 HZ3 LYS 83 HZ3 LYS 83 4.200 -14.911 4.389 701 H ALA 84 H ALA 84 0.925 -12.063 -1.982 702 HA ALA 84 HA ALA 84 -0.899 -13.617 -0.351 703 HB1 ALA 84 HB1 ALA 84 -1.354 -11.004 -1.825 704 HB2 ALA 84 HB2 ALA 84 -0.812 -11.166 -0.155 705 HB3 ALA 84 HB3 ALA 84 -2.428 -11.708 -0.613 706 H GLY 85 H GLY 85 -0.573 -15.419 -2.122 707 HA2 GLY 85 HA2 GLY 85 -1.685 -16.854 -3.532 708 HA3 GLY 85 HA3 GLY 85 -3.044 -15.742 -3.539 709 H SER 86 H SER 86 -2.783 -16.857 -5.839 710 HA SER 86 HA SER 86 -1.844 -14.779 -7.662 711 HB2 SER 86 HB2 SER 86 -0.781 -17.634 -7.844 712 HB3 SER 86 HB3 SER 86 -0.612 -16.437 -9.127 713 HG SER 86 HG SER 86 0.265 -15.368 -6.835 714 H LEU 87 H LEU 87 -2.575 -15.183 -9.910 715 HA LEU 87 HA LEU 87 -5.266 -16.260 -10.046 716 HB2 LEU 87 HB2 LEU 87 -3.538 -15.185 -12.328 717 HB3 LEU 87 HB3 LEU 87 -5.259 -15.507 -12.396 718 HG LEU 87 HG LEU 87 -5.121 -13.159 -12.256 719 HD11 LEU 87 HD11 LEU 87 -5.594 -14.022 -9.390 720 HD12 LEU 87 HD12 LEU 87 -6.785 -14.049 -10.693 721 HD13 LEU 87 HD13 LEU 87 -6.127 -12.513 -10.138 722 HD21 LEU 87 HD21 LEU 87 -2.746 -12.925 -11.695 723 HD22 LEU 87 HD22 LEU 87 -3.073 -13.379 -10.022 724 HD23 LEU 87 HD23 LEU 87 -3.732 -11.877 -10.673 725 H VAL 88 H VAL 88 -2.044 -17.180 -11.036 726 HA VAL 88 HA VAL 88 -1.079 -18.808 -12.231 727 HB VAL 88 HB VAL 88 -3.267 -20.606 -11.087 728 HG11 VAL 88 HG11 VAL 88 -0.443 -21.302 -11.997 729 HG12 VAL 88 HG12 VAL 88 -1.938 -21.741 -12.825 730 HG13 VAL 88 HG13 VAL 88 -1.580 -22.421 -11.238 731 HG21 VAL 88 HG21 VAL 88 -1.731 -20.993 -9.171 732 HG22 VAL 88 HG22 VAL 88 -2.217 -19.302 -9.278 733 HG23 VAL 88 HG23 VAL 88 -0.613 -19.793 -9.825 734 HA PRO 89 HA PRO 89 -4.020 -18.782 -15.848 735 HB2 PRO 89 HB2 PRO 89 -2.995 -16.779 -17.315 736 HB3 PRO 89 HB3 PRO 89 -3.951 -16.425 -15.870 737 HG2 PRO 89 HG2 PRO 89 -0.972 -16.353 -16.238 738 HG3 PRO 89 HG3 PRO 89 -2.011 -15.251 -15.312 739 HD2 PRO 89 HD2 PRO 89 -0.532 -17.427 -14.256 740 HD3 PRO 89 HD3 PRO 89 -1.833 -16.552 -13.418 741 H ARG 90 H ARG 90 -3.440 -18.996 -18.287 742 HA ARG 90 HA ARG 90 -1.296 -20.941 -18.600 743 HB2 ARG 90 HB2 ARG 90 -3.445 -19.934 -20.499 744 HB3 ARG 90 HB3 ARG 90 -2.209 -21.087 -20.988 745 HG2 ARG 90 HG2 ARG 90 -4.259 -21.525 -18.788 746 HG3 ARG 90 HG3 ARG 90 -4.321 -22.215 -20.411 747 HD2 ARG 90 HD2 ARG 90 -2.208 -23.427 -19.967 748 HD3 ARG 90 HD3 ARG 90 -2.163 -22.747 -18.340 749 HE ARG 90 HE ARG 90 -4.569 -24.224 -18.935 750 HH11 ARG 90 HH11 ARG 90 -1.347 -24.459 -17.694 751 HH12 ARG 90 HH12 ARG 90 -1.660 -25.953 -16.891 752 HH21 ARG 90 HH21 ARG 90 -4.934 -26.149 -17.910 753 HH22 ARG 90 HH22 ARG 90 -3.664 -26.899 -17.009 754 H GLY 91 H GLY 91 0.588 -19.779 -18.383 755 HA2 GLY 91 HA2 GLY 91 1.387 -18.102 -20.720 756 HA3 GLY 91 HA3 GLY 91 1.946 -17.778 -19.083 757 H SER 92 H SER 92 3.394 -19.225 -18.060 758 HA SER 92 HA SER 92 5.046 -20.745 -17.787 759 HB2 SER 92 HB2 SER 92 3.743 -22.232 -20.116 760 HB3 SER 92 HB3 SER 92 4.932 -22.921 -19.002 761 HG SER 92 HG SER 92 2.509 -23.205 -18.634 762 H TYR 93 H TYR 93 5.292 -18.507 -19.888 763 HA TYR 93 HA TYR 93 7.450 -19.533 -21.603 764 HB2 TYR 93 HB2 TYR 93 6.154 -16.771 -21.503 765 HB3 TYR 93 HB3 TYR 93 7.387 -17.263 -22.663 766 HD1 TYR 93 HD1 TYR 93 6.751 -19.630 -23.898 767 HD2 TYR 93 HD2 TYR 93 3.919 -16.836 -22.322 768 HE1 TYR 93 HE1 TYR 93 5.020 -20.560 -25.362 769 HE2 TYR 93 HE2 TYR 93 2.187 -17.771 -23.797 770 HH TYR 93 HH TYR 93 2.552 -20.719 -25.429 771 H LEU 94 H LEU 94 9.098 -19.940 -20.142 772 HA LEU 94 HA LEU 94 10.184 -17.910 -18.374 773 HB2 LEU 94 HB2 LEU 94 11.188 -20.683 -19.134 774 HB3 LEU 94 HB3 LEU 94 12.057 -19.614 -18.044 775 HG LEU 94 HG LEU 94 9.979 -19.647 -16.528 776 HD11 LEU 94 HD11 LEU 94 9.180 -22.018 -18.240 777 HD12 LEU 94 HD12 LEU 94 8.320 -20.482 -18.127 778 HD13 LEU 94 HD13 LEU 94 8.427 -21.533 -16.716 779 HD21 LEU 94 HD21 LEU 94 12.016 -20.896 -15.974 780 HD22 LEU 94 HD22 LEU 94 11.462 -22.266 -16.937 781 HD23 LEU 94 HD23 LEU 94 10.582 -21.793 -15.480 782 H GLU 95 H GLU 95 10.744 -18.989 -21.643 783 HA GLU 95 HA GLU 95 13.320 -17.876 -22.100 784 HB2 GLU 95 HB2 GLU 95 12.235 -19.549 -23.604 785 HB3 GLU 95 HB3 GLU 95 11.053 -18.338 -24.087 786 HG2 GLU 95 HG2 GLU 95 12.864 -16.966 -25.084 787 HG3 GLU 95 HG3 GLU 95 14.047 -18.177 -24.594 788 H HIS 96 H HIS 96 13.904 -15.762 -22.195 789 HA HIS 96 HA HIS 96 11.822 -13.712 -21.900 790 HB2 HIS 96 HB2 HIS 96 14.845 -13.427 -21.613 791 HB3 HIS 96 HB3 HIS 96 13.630 -12.243 -21.122 792 HD1 HIS 96 HD1 HIS 96 11.980 -13.089 -19.132 793 HD2 HIS 96 HD2 HIS 96 15.475 -15.271 -19.668 794 HE1 HIS 96 HE1 HIS 96 12.257 -14.448 -17.045 795 HE2 HIS 96 HE2 HIS 96 14.319 -15.824 -17.434 796 H HIS 97 H HIS 97 11.684 -11.828 -23.137 797 HA HIS 97 HA HIS 97 12.422 -12.067 -25.934 798 HB2 HIS 97 HB2 HIS 97 10.166 -11.299 -25.351 799 HB3 HIS 97 HB3 HIS 97 10.824 -9.944 -24.440 800 HD1 HIS 97 HD1 HIS 97 11.235 -11.183 -28.041 801 HD2 HIS 97 HD2 HIS 97 10.622 -7.664 -25.926 802 HE1 HIS 97 HE1 HIS 97 11.179 -9.365 -29.758 803 HE2 HIS 97 HE2 HIS 97 11.020 -7.244 -28.434 804 H HIS 98 H HIS 98 14.089 -11.072 -26.918 805 HA HIS 98 HA HIS 98 16.045 -9.529 -25.498 806 HB2 HIS 98 HB2 HIS 98 15.750 -10.038 -28.493 807 HB3 HIS 98 HB3 HIS 98 17.165 -9.324 -27.724 808 HD1 HIS 98 HD1 HIS 98 18.884 -10.925 -26.758 809 HD2 HIS 98 HD2 HIS 98 15.369 -12.848 -27.850 810 HE1 HIS 98 HE1 HIS 98 19.373 -13.373 -26.581 811 HE2 HIS 98 HE2 HIS 98 17.172 -14.491 -27.022 812 H HIS 99 H HIS 99 16.396 -7.334 -25.489 813 HA HIS 99 HA HIS 99 14.193 -5.591 -26.250 814 HB2 HIS 99 HB2 HIS 99 16.825 -4.993 -24.832 815 HB3 HIS 99 HB3 HIS 99 15.535 -3.820 -25.078 816 HD1 HIS 99 HD1 HIS 99 13.986 -3.600 -23.144 817 HD2 HIS 99 HD2 HIS 99 15.783 -7.346 -23.216 818 HE1 HIS 99 HE1 HIS 99 13.244 -4.749 -21.045 819 HE2 HIS 99 HE2 HIS 99 14.485 -6.930 -21.030 820 H HIS 100 H HIS 100 14.466 -3.620 -27.518 821 HA HIS 100 HA HIS 100 16.721 -3.551 -29.434 822 HB2 HIS 100 HB2 HIS 100 15.259 -3.407 -31.367 823 HB3 HIS 100 HB3 HIS 100 14.786 -4.833 -30.454 824 HD1 HIS 100 HD1 HIS 100 12.503 -4.594 -29.051 825 HD2 HIS 100 HD2 HIS 100 13.234 -1.566 -31.793 826 HE1 HIS 100 HE1 HIS 100 10.319 -3.408 -29.347 827 HE2 HIS 100 HE2 HIS 100 10.803 -1.538 -30.945 828 H HIS 101 H HIS 101 16.285 -1.503 -30.971 829 HA HIS 101 HA HIS 101 15.789 0.862 -29.266 830 HB2 HIS 101 HB2 HIS 101 17.092 0.708 -32.026 831 HB3 HIS 101 HB3 HIS 101 17.023 2.126 -30.982 832 HD1 HIS 101 HD1 HIS 101 18.337 1.804 -28.598 833 HD2 HIS 101 HD2 HIS 101 19.358 -0.808 -31.666 834 HE1 HIS 101 HE1 HIS 101 20.538 0.815 -27.938 835 HE2 HIS 101 HE2 HIS 101 21.006 -0.929 -29.685 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -9.352 -18.552 6.020 2 H2 MET 1 H2 MET 1 -8.212 -18.021 7.147 3 H3 MET 1 H3 MET 1 -8.673 -19.645 7.116 4 HA MET 1 HA MET 1 -7.714 -19.951 4.952 5 HB2 MET 1 HB2 MET 1 -6.299 -18.044 4.001 6 HB3 MET 1 HB3 MET 1 -8.039 -17.828 3.940 7 HG2 MET 1 HG2 MET 1 -7.912 -16.356 5.928 8 HG3 MET 1 HG3 MET 1 -6.153 -16.531 5.917 9 HE1 MET 1 HE1 MET 1 -6.757 -12.854 4.616 10 HE2 MET 1 HE2 MET 1 -5.956 -13.835 5.842 11 HE3 MET 1 HE3 MET 1 -7.717 -13.710 5.821 12 H GLN 2 H GLN 2 -6.154 -21.356 5.495 13 HA GLN 2 HA GLN 2 -4.585 -20.911 7.942 14 HB2 GLN 2 HB2 GLN 2 -4.955 -23.445 6.289 15 HB3 GLN 2 HB3 GLN 2 -4.221 -23.350 7.888 16 HG2 GLN 2 HG2 GLN 2 -6.367 -22.686 8.868 17 HG3 GLN 2 HG3 GLN 2 -7.112 -22.667 7.268 18 HE21 GLN 2 HE21 GLN 2 -8.646 -24.234 7.826 19 HE22 GLN 2 HE22 GLN 2 -8.238 -25.890 8.087 20 H GLU 3 H GLU 3 -3.960 -20.845 4.534 21 HA GLU 3 HA GLU 3 -1.269 -21.954 4.608 22 HB2 GLU 3 HB2 GLU 3 -2.834 -22.245 2.671 23 HB3 GLU 3 HB3 GLU 3 -2.737 -20.519 2.344 24 HG2 GLU 3 HG2 GLU 3 -0.242 -20.829 1.963 25 HG3 GLU 3 HG3 GLU 3 -0.508 -22.567 2.089 26 H GLU 4 H GLU 4 -0.824 -20.190 6.399 27 HA GLU 4 HA GLU 4 0.318 -18.399 7.181 28 HB2 GLU 4 HB2 GLU 4 1.483 -18.263 4.369 29 HB3 GLU 4 HB3 GLU 4 2.184 -17.512 5.799 30 HG2 GLU 4 HG2 GLU 4 2.700 -19.675 6.762 31 HG3 GLU 4 HG3 GLU 4 1.813 -20.507 5.484 32 H ARG 5 H ARG 5 -2.257 -17.865 5.345 33 HA ARG 5 HA ARG 5 -1.678 -15.473 3.912 34 HB2 ARG 5 HB2 ARG 5 -4.321 -16.871 4.422 35 HB3 ARG 5 HB3 ARG 5 -4.134 -15.486 3.348 36 HG2 ARG 5 HG2 ARG 5 -2.538 -16.809 1.961 37 HG3 ARG 5 HG3 ARG 5 -2.796 -18.197 3.016 38 HD2 ARG 5 HD2 ARG 5 -5.208 -18.188 2.387 39 HD3 ARG 5 HD3 ARG 5 -4.891 -16.848 1.278 40 HE ARG 5 HE ARG 5 -3.130 -18.869 0.562 41 HH11 ARG 5 HH11 ARG 5 -6.589 -18.565 0.683 42 HH12 ARG 5 HH12 ARG 5 -6.817 -19.663 -0.629 43 HH21 ARG 5 HH21 ARG 5 -3.485 -20.266 -1.098 44 HH22 ARG 5 HH22 ARG 5 -5.104 -20.613 -1.608 45 H LYS 6 H LYS 6 -3.187 -15.971 7.103 46 HA LYS 6 HA LYS 6 -3.938 -13.210 7.412 47 HB2 LYS 6 HB2 LYS 6 -5.001 -14.946 8.798 48 HB3 LYS 6 HB3 LYS 6 -3.455 -15.325 9.548 49 HG2 LYS 6 HG2 LYS 6 -4.880 -13.937 11.029 50 HG3 LYS 6 HG3 LYS 6 -3.373 -13.123 10.616 51 HD2 LYS 6 HD2 LYS 6 -5.166 -11.490 10.513 52 HD3 LYS 6 HD3 LYS 6 -4.610 -11.794 8.869 53 HE2 LYS 6 HE2 LYS 6 -7.029 -11.690 8.858 54 HE3 LYS 6 HE3 LYS 6 -6.555 -13.364 8.569 55 HZ1 LYS 6 HZ1 LYS 6 -7.438 -12.231 11.163 56 HZ2 LYS 6 HZ2 LYS 6 -6.984 -13.835 10.901 57 HZ3 LYS 6 HZ3 LYS 6 -8.359 -13.213 10.144 58 H LYS 7 H LYS 7 -1.024 -15.070 8.327 59 HA LYS 7 HA LYS 7 0.307 -12.906 9.640 60 HB2 LYS 7 HB2 LYS 7 1.105 -15.678 8.819 61 HB3 LYS 7 HB3 LYS 7 2.402 -14.533 9.148 62 HG2 LYS 7 HG2 LYS 7 1.805 -15.894 11.144 63 HG3 LYS 7 HG3 LYS 7 1.611 -14.163 11.409 64 HD2 LYS 7 HD2 LYS 7 -0.886 -14.483 10.926 65 HD3 LYS 7 HD3 LYS 7 -0.587 -16.221 10.968 66 HE2 LYS 7 HE2 LYS 7 -1.443 -15.480 13.119 67 HE3 LYS 7 HE3 LYS 7 0.236 -15.981 13.312 68 HZ1 LYS 7 HZ1 LYS 7 0.875 -13.645 13.223 69 HZ2 LYS 7 HZ2 LYS 7 -0.195 -13.943 14.491 70 HZ3 LYS 7 HZ3 LYS 7 -0.745 -13.190 13.084 71 H LEU 8 H LEU 8 0.208 -13.965 6.353 72 HA LEU 8 HA LEU 8 1.976 -12.309 5.002 73 HB2 LEU 8 HB2 LEU 8 0.413 -14.100 4.142 74 HB3 LEU 8 HB3 LEU 8 -0.918 -12.990 4.314 75 HG LEU 8 HG LEU 8 1.375 -12.567 2.350 76 HD11 LEU 8 HD11 LEU 8 -1.357 -13.822 1.865 77 HD12 LEU 8 HD12 LEU 8 0.193 -14.669 1.855 78 HD13 LEU 8 HD13 LEU 8 -0.150 -13.455 0.630 79 HD21 LEU 8 HD21 LEU 8 -1.392 -11.292 2.463 80 HD22 LEU 8 HD22 LEU 8 -0.190 -11.038 1.194 81 HD23 LEU 8 HD23 LEU 8 0.136 -10.487 2.834 82 H LEU 9 H LEU 9 -1.320 -11.590 6.204 83 HA LEU 9 HA LEU 9 -1.398 -8.864 5.361 84 HB2 LEU 9 HB2 LEU 9 -3.090 -10.129 7.544 85 HB3 LEU 9 HB3 LEU 9 -3.456 -8.678 6.625 86 HG LEU 9 HG LEU 9 -3.505 -11.547 5.647 87 HD11 LEU 9 HD11 LEU 9 -5.879 -11.089 5.191 88 HD12 LEU 9 HD12 LEU 9 -5.694 -9.467 5.862 89 HD13 LEU 9 HD13 LEU 9 -5.477 -10.884 6.898 90 HD21 LEU 9 HD21 LEU 9 -2.528 -10.270 3.831 91 HD22 LEU 9 HD22 LEU 9 -3.786 -9.042 3.959 92 HD23 LEU 9 HD23 LEU 9 -4.195 -10.672 3.424 93 H GLU 10 H GLU 10 -0.404 -10.423 8.392 94 HA GLU 10 HA GLU 10 -0.635 -8.364 10.224 95 HB2 GLU 10 HB2 GLU 10 1.513 -10.511 10.089 96 HB3 GLU 10 HB3 GLU 10 1.227 -9.504 11.502 97 HG2 GLU 10 HG2 GLU 10 -0.967 -11.233 10.340 98 HG3 GLU 10 HG3 GLU 10 0.229 -11.890 11.450 99 H LYS 11 H LYS 11 2.174 -8.952 8.073 100 HA LYS 11 HA LYS 11 3.514 -6.497 8.867 101 HB2 LYS 11 HB2 LYS 11 5.182 -7.061 7.151 102 HB3 LYS 11 HB3 LYS 11 4.868 -8.410 8.233 103 HG2 LYS 11 HG2 LYS 11 3.456 -9.471 6.512 104 HG3 LYS 11 HG3 LYS 11 3.773 -8.122 5.420 105 HD2 LYS 11 HD2 LYS 11 5.975 -9.887 6.564 106 HD3 LYS 11 HD3 LYS 11 5.166 -10.231 5.039 107 HE2 LYS 11 HE2 LYS 11 7.274 -9.126 4.583 108 HE3 LYS 11 HE3 LYS 11 5.961 -8.040 4.155 109 HZ1 LYS 11 HZ1 LYS 11 7.534 -7.884 6.672 110 HZ2 LYS 11 HZ2 LYS 11 6.361 -6.784 6.158 111 HZ3 LYS 11 HZ3 LYS 11 7.808 -6.934 5.302 112 H LEU 12 H LEU 12 1.229 -7.394 6.382 113 HA LEU 12 HA LEU 12 1.836 -5.520 4.362 114 HB2 LEU 12 HB2 LEU 12 0.485 -7.629 4.176 115 HB3 LEU 12 HB3 LEU 12 -0.855 -6.806 4.943 116 HG LEU 12 HG LEU 12 0.287 -5.659 2.380 117 HD11 LEU 12 HD11 LEU 12 -1.173 -7.077 1.022 118 HD12 LEU 12 HD12 LEU 12 -1.671 -7.974 2.459 119 HD13 LEU 12 HD13 LEU 12 0.004 -8.048 1.906 120 HD21 LEU 12 HD21 LEU 12 -2.034 -4.938 1.980 121 HD22 LEU 12 HD22 LEU 12 -1.459 -4.358 3.541 122 HD23 LEU 12 HD23 LEU 12 -2.558 -5.739 3.466 123 H GLU 13 H GLU 13 -0.597 -5.264 7.040 124 HA GLU 13 HA GLU 13 -1.608 -2.720 6.425 125 HB2 GLU 13 HB2 GLU 13 -1.217 -3.981 9.169 126 HB3 GLU 13 HB3 GLU 13 -2.031 -2.440 8.928 127 HG2 GLU 13 HG2 GLU 13 -3.787 -3.958 9.119 128 HG3 GLU 13 HG3 GLU 13 -3.644 -3.713 7.381 129 H LYS 14 H LYS 14 1.349 -3.557 8.233 130 HA LYS 14 HA LYS 14 2.085 -0.981 9.119 131 HB2 LYS 14 HB2 LYS 14 3.744 -3.474 8.596 132 HB3 LYS 14 HB3 LYS 14 4.517 -1.969 9.074 133 HG2 LYS 14 HG2 LYS 14 4.247 -3.342 11.033 134 HG3 LYS 14 HG3 LYS 14 3.166 -1.955 11.164 135 HD2 LYS 14 HD2 LYS 14 1.259 -3.371 10.478 136 HD3 LYS 14 HD3 LYS 14 2.339 -4.757 10.323 137 HE2 LYS 14 HE2 LYS 14 1.768 -3.250 12.898 138 HE3 LYS 14 HE3 LYS 14 1.057 -4.796 12.440 139 HZ1 LYS 14 HZ1 LYS 14 3.285 -5.755 12.446 140 HZ2 LYS 14 HZ2 LYS 14 2.882 -5.108 13.951 141 HZ3 LYS 14 HZ3 LYS 14 3.933 -4.272 12.930 142 H ILE 15 H ILE 15 2.761 -2.625 6.018 143 HA ILE 15 HA ILE 15 4.475 -0.758 4.798 144 HB ILE 15 HB ILE 15 2.232 -2.321 3.423 145 HG12 ILE 15 HG12 ILE 15 5.155 -3.128 3.811 146 HG13 ILE 15 HG13 ILE 15 3.786 -3.804 4.691 147 HG21 ILE 15 HG21 ILE 15 3.577 -2.099 1.341 148 HG22 ILE 15 HG22 ILE 15 4.745 -1.092 2.199 149 HG23 ILE 15 HG23 ILE 15 3.093 -0.521 1.967 150 HD11 ILE 15 HD11 ILE 15 2.888 -4.705 2.601 151 HD12 ILE 15 HD12 ILE 15 4.519 -5.285 2.934 152 HD13 ILE 15 HD13 ILE 15 4.266 -4.031 1.723 153 H LEU 16 H LEU 16 0.912 -0.935 4.676 154 HA LEU 16 HA LEU 16 0.385 1.369 3.176 155 HB2 LEU 16 HB2 LEU 16 -1.249 -0.298 5.090 156 HB3 LEU 16 HB3 LEU 16 -1.938 1.183 4.452 157 HG LEU 16 HG LEU 16 -1.848 0.331 2.164 158 HD11 LEU 16 HD11 LEU 16 -0.569 -2.200 3.236 159 HD12 LEU 16 HD12 LEU 16 0.222 -0.979 2.238 160 HD13 LEU 16 HD13 LEU 16 -1.109 -1.924 1.576 161 HD21 LEU 16 HD21 LEU 16 -3.458 -1.524 2.321 162 HD22 LEU 16 HD22 LEU 16 -3.829 -0.261 3.489 163 HD23 LEU 16 HD23 LEU 16 -3.050 -1.751 4.025 164 H ASP 17 H ASP 17 0.716 1.036 6.707 165 HA ASP 17 HA ASP 17 0.083 3.776 7.329 166 HB2 ASP 17 HB2 ASP 17 1.532 1.644 8.948 167 HB3 ASP 17 HB3 ASP 17 1.050 3.215 9.587 168 H GLU 18 H GLU 18 3.079 2.091 6.518 169 HA GLU 18 HA GLU 18 4.787 4.365 7.056 170 HB2 GLU 18 HB2 GLU 18 5.273 1.798 5.508 171 HB3 GLU 18 HB3 GLU 18 6.502 3.045 5.714 172 HG2 GLU 18 HG2 GLU 18 6.334 2.751 8.191 173 HG3 GLU 18 HG3 GLU 18 5.183 1.445 7.931 174 H VAL 19 H VAL 19 2.783 3.349 4.371 175 HA VAL 19 HA VAL 19 3.961 5.065 2.384 176 HB VAL 19 HB VAL 19 1.140 3.882 2.457 177 HG11 VAL 19 HG11 VAL 19 2.648 5.106 0.112 178 HG12 VAL 19 HG12 VAL 19 1.237 5.787 0.917 179 HG13 VAL 19 HG13 VAL 19 1.083 4.286 0.010 180 HG21 VAL 19 HG21 VAL 19 3.616 2.844 1.012 181 HG22 VAL 19 HG22 VAL 19 1.996 2.143 0.930 182 HG23 VAL 19 HG23 VAL 19 2.885 2.133 2.448 183 H THR 20 H THR 20 1.234 5.422 4.689 184 HA THR 20 HA THR 20 0.377 8.023 3.953 185 HB THR 20 HB THR 20 -0.664 8.216 6.168 186 HG1 THR 20 HG1 THR 20 -0.224 6.375 7.679 187 HG21 THR 20 HG21 THR 20 -0.830 5.340 5.198 188 HG22 THR 20 HG22 THR 20 -1.807 6.688 4.613 189 HG23 THR 20 HG23 THR 20 -1.983 6.133 6.276 190 H ASP 21 H ASP 21 2.772 6.937 6.353 191 HA ASP 21 HA ASP 21 3.732 9.513 7.110 192 HB2 ASP 21 HB2 ASP 21 3.978 7.481 8.512 193 HB3 ASP 21 HB3 ASP 21 5.056 6.770 7.313 194 H GLY 22 H GLY 22 4.635 7.233 4.573 195 HA2 GLY 22 HA2 GLY 22 7.014 8.660 3.689 196 HA3 GLY 22 HA3 GLY 22 6.297 7.239 2.951 197 H ALA 23 H ALA 23 3.873 9.480 3.368 198 HA ALA 23 HA ALA 23 3.734 10.359 0.641 199 HB1 ALA 23 HB1 ALA 23 2.175 11.265 3.082 200 HB2 ALA 23 HB2 ALA 23 1.730 9.936 2.011 201 HB3 ALA 23 HB3 ALA 23 1.743 11.594 1.403 202 HA PRO 24 HA PRO 24 6.101 14.204 0.952 203 HB2 PRO 24 HB2 PRO 24 4.774 15.874 -0.790 204 HB3 PRO 24 HB3 PRO 24 5.804 14.539 -1.319 205 HG2 PRO 24 HG2 PRO 24 2.800 14.615 -1.032 206 HG3 PRO 24 HG3 PRO 24 3.779 13.979 -2.375 207 HD2 PRO 24 HD2 PRO 24 2.706 12.347 -0.493 208 HD3 PRO 24 HD3 PRO 24 4.290 12.002 -1.226 209 H ASP 25 H ASP 25 2.555 14.859 1.001 210 HA ASP 25 HA ASP 25 2.644 16.200 3.538 211 HB2 ASP 25 HB2 ASP 25 3.535 18.020 2.119 212 HB3 ASP 25 HB3 ASP 25 2.159 17.884 1.033 213 H GLU 26 H GLU 26 0.423 16.961 0.844 214 HA GLU 26 HA GLU 26 -1.876 16.323 2.490 215 HB2 GLU 26 HB2 GLU 26 -3.193 17.240 0.592 216 HB3 GLU 26 HB3 GLU 26 -1.927 18.337 1.138 217 HG2 GLU 26 HG2 GLU 26 -0.506 17.677 -0.766 218 HG3 GLU 26 HG3 GLU 26 -1.740 16.539 -1.302 219 H ALA 27 H ALA 27 -0.085 14.603 0.083 220 HA ALA 27 HA ALA 27 -2.041 12.850 -0.943 221 HB1 ALA 27 HB1 ALA 27 0.198 13.095 -1.937 222 HB2 ALA 27 HB2 ALA 27 -0.165 11.406 -1.587 223 HB3 ALA 27 HB3 ALA 27 0.917 12.314 -0.527 224 H ARG 28 H ARG 28 -0.438 12.911 2.175 225 HA ARG 28 HA ARG 28 -0.660 10.339 3.169 226 HB2 ARG 28 HB2 ARG 28 0.361 12.140 4.470 227 HB3 ARG 28 HB3 ARG 28 -1.176 12.989 4.588 228 HG2 ARG 28 HG2 ARG 28 -2.068 11.111 5.979 229 HG3 ARG 28 HG3 ARG 28 -0.482 10.339 5.913 230 HD2 ARG 28 HD2 ARG 28 0.525 12.226 7.079 231 HD3 ARG 28 HD3 ARG 28 -1.007 13.102 7.064 232 HE ARG 28 HE ARG 28 -0.274 10.837 8.765 233 HH11 ARG 28 HH11 ARG 28 -2.851 12.945 7.776 234 HH12 ARG 28 HH12 ARG 28 -3.738 12.692 9.233 235 HH21 ARG 28 HH21 ARG 28 -1.470 10.545 10.606 236 HH22 ARG 28 HH22 ARG 28 -2.974 11.368 10.803 237 H GLU 29 H GLU 29 -3.190 12.804 2.948 238 HA GLU 29 HA GLU 29 -5.248 11.431 4.334 239 HB2 GLU 29 HB2 GLU 29 -5.524 13.574 2.190 240 HB3 GLU 29 HB3 GLU 29 -6.727 13.154 3.402 241 HG2 GLU 29 HG2 GLU 29 -4.031 14.446 3.908 242 HG3 GLU 29 HG3 GLU 29 -5.603 15.237 3.975 243 H ARG 30 H ARG 30 -4.539 11.726 0.831 244 HA ARG 30 HA ARG 30 -6.661 10.184 -0.198 245 HB2 ARG 30 HB2 ARG 30 -5.183 11.654 -1.567 246 HB3 ARG 30 HB3 ARG 30 -3.858 10.519 -1.348 247 HG2 ARG 30 HG2 ARG 30 -5.109 8.795 -2.602 248 HG3 ARG 30 HG3 ARG 30 -6.466 9.905 -2.792 249 HD2 ARG 30 HD2 ARG 30 -4.968 11.454 -4.062 250 HD3 ARG 30 HD3 ARG 30 -3.675 10.256 -3.938 251 HE ARG 30 HE ARG 30 -5.505 8.774 -5.103 252 HH11 ARG 30 HH11 ARG 30 -4.652 12.036 -5.896 253 HH12 ARG 30 HH12 ARG 30 -5.109 11.851 -7.551 254 HH21 ARG 30 HH21 ARG 30 -6.046 8.575 -7.205 255 HH22 ARG 30 HH22 ARG 30 -5.915 9.929 -8.275 256 H ILE 31 H ILE 31 -3.436 9.225 0.892 257 HA ILE 31 HA ILE 31 -3.622 6.455 0.278 258 HB ILE 31 HB ILE 31 -1.862 7.861 2.345 259 HG12 ILE 31 HG12 ILE 31 -1.105 7.009 -0.493 260 HG13 ILE 31 HG13 ILE 31 -1.672 8.627 -0.107 261 HG21 ILE 31 HG21 ILE 31 -1.554 5.083 1.108 262 HG22 ILE 31 HG22 ILE 31 -1.996 5.429 2.781 263 HG23 ILE 31 HG23 ILE 31 -0.395 5.865 2.190 264 HD11 ILE 31 HD11 ILE 31 0.251 8.987 1.316 265 HD12 ILE 31 HD12 ILE 31 0.740 8.507 -0.308 266 HD13 ILE 31 HD13 ILE 31 0.809 7.340 1.010 267 H GLU 32 H GLU 32 -4.280 8.290 3.317 268 HA GLU 32 HA GLU 32 -4.984 6.059 4.932 269 HB2 GLU 32 HB2 GLU 32 -5.736 8.995 5.174 270 HB3 GLU 32 HB3 GLU 32 -6.179 7.787 6.380 271 HG2 GLU 32 HG2 GLU 32 -3.801 7.317 6.802 272 HG3 GLU 32 HG3 GLU 32 -3.341 8.514 5.591 273 H LYS 33 H LYS 33 -6.784 7.885 2.563 274 HA LYS 33 HA LYS 33 -9.399 6.949 3.243 275 HB2 LYS 33 HB2 LYS 33 -8.993 8.978 1.869 276 HB3 LYS 33 HB3 LYS 33 -8.307 7.985 0.589 277 HG2 LYS 33 HG2 LYS 33 -10.501 6.877 0.269 278 HG3 LYS 33 HG3 LYS 33 -11.192 7.882 1.548 279 HD2 LYS 33 HD2 LYS 33 -10.028 8.903 -1.080 280 HD3 LYS 33 HD3 LYS 33 -11.745 8.758 -0.708 281 HE2 LYS 33 HE2 LYS 33 -9.785 10.567 0.753 282 HE3 LYS 33 HE3 LYS 33 -10.928 11.086 -0.484 283 HZ1 LYS 33 HZ1 LYS 33 -11.632 9.913 2.150 284 HZ2 LYS 33 HZ2 LYS 33 -12.743 10.362 0.960 285 HZ3 LYS 33 HZ3 LYS 33 -11.783 11.535 1.707 286 H LEU 34 H LEU 34 -7.100 5.984 0.643 287 HA LEU 34 HA LEU 34 -8.715 3.816 -0.287 288 HB2 LEU 34 HB2 LEU 34 -7.139 5.035 -1.755 289 HB3 LEU 34 HB3 LEU 34 -5.782 4.399 -0.838 290 HG LEU 34 HG LEU 34 -6.353 2.090 -1.572 291 HD11 LEU 34 HD11 LEU 34 -8.041 1.696 -3.319 292 HD12 LEU 34 HD12 LEU 34 -8.559 3.379 -3.209 293 HD13 LEU 34 HD13 LEU 34 -8.767 2.296 -1.831 294 HD21 LEU 34 HD21 LEU 34 -6.083 4.020 -3.902 295 HD22 LEU 34 HD22 LEU 34 -5.698 2.296 -3.928 296 HD23 LEU 34 HD23 LEU 34 -4.760 3.389 -2.914 297 H ALA 35 H ALA 35 -5.726 3.904 1.653 298 HA ALA 35 HA ALA 35 -5.316 1.173 2.073 299 HB1 ALA 35 HB1 ALA 35 -4.646 3.427 3.997 300 HB2 ALA 35 HB2 ALA 35 -3.636 2.888 2.655 301 HB3 ALA 35 HB3 ALA 35 -3.948 1.804 4.013 302 H LYS 36 H LYS 36 -7.467 3.425 3.822 303 HA LYS 36 HA LYS 36 -8.326 1.688 5.890 304 HB2 LYS 36 HB2 LYS 36 -8.759 4.171 5.724 305 HB3 LYS 36 HB3 LYS 36 -9.960 3.855 4.489 306 HG2 LYS 36 HG2 LYS 36 -10.212 2.687 7.280 307 HG3 LYS 36 HG3 LYS 36 -10.749 4.324 6.916 308 HD2 LYS 36 HD2 LYS 36 -12.351 3.452 5.263 309 HD3 LYS 36 HD3 LYS 36 -11.780 1.809 5.551 310 HE2 LYS 36 HE2 LYS 36 -12.561 1.987 7.915 311 HE3 LYS 36 HE3 LYS 36 -13.201 3.594 7.560 312 HZ1 LYS 36 HZ1 LYS 36 -14.898 1.844 7.448 313 HZ2 LYS 36 HZ2 LYS 36 -14.048 1.088 6.199 314 HZ3 LYS 36 HZ3 LYS 36 -14.704 2.626 5.963 315 H ASP 37 H ASP 37 -9.677 2.292 2.621 316 HA ASP 37 HA ASP 37 -11.795 0.430 2.697 317 HB2 ASP 37 HB2 ASP 37 -10.233 1.424 0.271 318 HB3 ASP 37 HB3 ASP 37 -11.796 0.608 0.208 319 H VAL 38 H VAL 38 -8.406 0.031 1.701 320 HA VAL 38 HA VAL 38 -8.552 -2.666 0.834 321 HB VAL 38 HB VAL 38 -6.140 -1.203 2.031 322 HG11 VAL 38 HG11 VAL 38 -5.790 -3.639 2.112 323 HG12 VAL 38 HG12 VAL 38 -4.731 -2.912 0.906 324 HG13 VAL 38 HG13 VAL 38 -6.181 -3.781 0.396 325 HG21 VAL 38 HG21 VAL 38 -6.902 -1.584 -0.897 326 HG22 VAL 38 HG22 VAL 38 -5.418 -0.828 -0.309 327 HG23 VAL 38 HG23 VAL 38 -6.977 -0.072 0.011 328 H LYS 39 H LYS 39 -7.924 -1.197 4.034 329 HA LYS 39 HA LYS 39 -7.418 -3.632 5.430 330 HB2 LYS 39 HB2 LYS 39 -8.097 -0.846 6.412 331 HB3 LYS 39 HB3 LYS 39 -7.790 -2.183 7.518 332 HG2 LYS 39 HG2 LYS 39 -5.521 -2.466 6.548 333 HG3 LYS 39 HG3 LYS 39 -5.825 -1.115 5.456 334 HD2 LYS 39 HD2 LYS 39 -6.035 0.405 7.414 335 HD3 LYS 39 HD3 LYS 39 -5.712 -0.955 8.495 336 HE2 LYS 39 HE2 LYS 39 -3.480 -1.244 7.387 337 HE3 LYS 39 HE3 LYS 39 -3.806 0.197 6.423 338 HZ1 LYS 39 HZ1 LYS 39 -3.671 0.120 9.385 339 HZ2 LYS 39 HZ2 LYS 39 -3.897 1.498 8.439 340 HZ3 LYS 39 HZ3 LYS 39 -2.432 0.659 8.373 341 H ASP 40 H ASP 40 -10.424 -1.897 4.749 342 HA ASP 40 HA ASP 40 -12.168 -3.474 6.345 343 HB2 ASP 40 HB2 ASP 40 -12.753 -2.224 3.621 344 HB3 ASP 40 HB3 ASP 40 -13.960 -2.792 4.773 345 H GLU 41 H GLU 41 -11.058 -3.819 2.997 346 HA GLU 41 HA GLU 41 -12.331 -6.284 2.400 347 HB2 GLU 41 HB2 GLU 41 -9.956 -4.892 1.103 348 HB3 GLU 41 HB3 GLU 41 -10.800 -6.272 0.402 349 HG2 GLU 41 HG2 GLU 41 -12.158 -3.644 1.067 350 HG3 GLU 41 HG3 GLU 41 -11.457 -3.999 -0.505 351 H LEU 42 H LEU 42 -9.232 -5.570 3.910 352 HA LEU 42 HA LEU 42 -8.049 -8.146 3.762 353 HB2 LEU 42 HB2 LEU 42 -7.700 -5.897 5.776 354 HB3 LEU 42 HB3 LEU 42 -6.726 -7.359 5.806 355 HG LEU 42 HG LEU 42 -6.819 -5.463 3.424 356 HD11 LEU 42 HD11 LEU 42 -5.865 -4.274 5.341 357 HD12 LEU 42 HD12 LEU 42 -4.653 -4.586 4.104 358 HD13 LEU 42 HD13 LEU 42 -4.692 -5.570 5.568 359 HD21 LEU 42 HD21 LEU 42 -6.131 -7.750 2.853 360 HD22 LEU 42 HD22 LEU 42 -4.852 -7.676 4.065 361 HD23 LEU 42 HD23 LEU 42 -4.806 -6.606 2.659 362 H GLU 43 H GLU 43 -10.598 -6.857 5.739 363 HA GLU 43 HA GLU 43 -10.727 -9.213 7.502 364 HB2 GLU 43 HB2 GLU 43 -10.913 -6.891 8.449 365 HB3 GLU 43 HB3 GLU 43 -12.380 -6.641 7.519 366 HG2 GLU 43 HG2 GLU 43 -12.170 -8.851 9.580 367 HG3 GLU 43 HG3 GLU 43 -12.570 -7.206 10.043 368 H GLU 44 H GLU 44 -13.315 -7.351 5.813 369 HA GLU 44 HA GLU 44 -15.014 -9.681 5.722 370 HB2 GLU 44 HB2 GLU 44 -16.755 -8.139 4.900 371 HB3 GLU 44 HB3 GLU 44 -15.952 -7.490 6.327 372 HG2 GLU 44 HG2 GLU 44 -14.642 -5.957 4.926 373 HG3 GLU 44 HG3 GLU 44 -15.352 -6.644 3.469 374 H GLY 45 H GLY 45 -13.077 -7.963 3.331 375 HA2 GLY 45 HA2 GLY 45 -14.506 -9.165 1.040 376 HA3 GLY 45 HA3 GLY 45 -13.327 -7.866 0.973 377 H ASP 46 H ASP 46 -12.563 -9.197 -0.879 378 HA ASP 46 HA ASP 46 -11.101 -11.662 -0.286 379 HB2 ASP 46 HB2 ASP 46 -11.382 -10.037 -2.851 380 HB3 ASP 46 HB3 ASP 46 -10.593 -11.611 -2.745 381 H ALA 47 H ALA 47 -10.406 -8.292 -1.026 382 HA ALA 47 HA ALA 47 -8.757 -6.911 -0.360 383 HB1 ALA 47 HB1 ALA 47 -7.318 -9.312 0.811 384 HB2 ALA 47 HB2 ALA 47 -8.494 -8.309 1.655 385 HB3 ALA 47 HB3 ALA 47 -6.964 -7.610 1.134 386 H LYS 48 H LYS 48 -7.538 -9.869 -1.972 387 HA LYS 48 HA LYS 48 -4.915 -9.140 -2.431 388 HB2 LYS 48 HB2 LYS 48 -6.125 -11.400 -2.810 389 HB3 LYS 48 HB3 LYS 48 -6.494 -10.809 -4.417 390 HG2 LYS 48 HG2 LYS 48 -3.653 -11.007 -3.379 391 HG3 LYS 48 HG3 LYS 48 -4.469 -12.369 -4.140 392 HD2 LYS 48 HD2 LYS 48 -4.687 -11.107 -6.234 393 HD3 LYS 48 HD3 LYS 48 -3.976 -9.680 -5.479 394 HE2 LYS 48 HE2 LYS 48 -1.842 -10.804 -5.223 395 HE3 LYS 48 HE3 LYS 48 -2.525 -12.333 -5.779 396 HZ1 LYS 48 HZ1 LYS 48 -2.955 -11.227 -7.940 397 HZ2 LYS 48 HZ2 LYS 48 -1.315 -11.352 -7.555 398 HZ3 LYS 48 HZ3 LYS 48 -2.111 -9.869 -7.389 399 H ASN 49 H ASN 49 -7.688 -8.578 -4.656 400 HA ASN 49 HA ASN 49 -6.136 -7.263 -6.666 401 HB2 ASN 49 HB2 ASN 49 -8.354 -8.430 -7.041 402 HB3 ASN 49 HB3 ASN 49 -9.148 -7.059 -6.275 403 HD21 ASN 49 HD21 ASN 49 -7.207 -8.058 -9.031 404 HD22 ASN 49 HD22 ASN 49 -7.652 -6.746 -10.061 405 H MET 50 H MET 50 -7.900 -6.086 -3.843 406 HA MET 50 HA MET 50 -7.788 -3.285 -4.338 407 HB2 MET 50 HB2 MET 50 -7.984 -4.913 -1.777 408 HB3 MET 50 HB3 MET 50 -7.986 -3.156 -1.761 409 HG2 MET 50 HG2 MET 50 -9.996 -4.763 -3.338 410 HG3 MET 50 HG3 MET 50 -10.254 -4.275 -1.666 411 HE1 MET 50 HE1 MET 50 -10.224 -0.340 -1.973 412 HE2 MET 50 HE2 MET 50 -8.780 -1.321 -1.729 413 HE3 MET 50 HE3 MET 50 -10.269 -1.716 -0.866 414 H ILE 51 H ILE 51 -5.448 -5.537 -2.967 415 HA ILE 51 HA ILE 51 -3.553 -3.588 -2.024 416 HB ILE 51 HB ILE 51 -3.040 -6.514 -2.761 417 HG12 ILE 51 HG12 ILE 51 -3.739 -5.471 0.031 418 HG13 ILE 51 HG13 ILE 51 -4.951 -6.112 -1.072 419 HG21 ILE 51 HG21 ILE 51 -1.175 -6.392 -1.131 420 HG22 ILE 51 HG22 ILE 51 -1.512 -4.681 -0.861 421 HG23 ILE 51 HG23 ILE 51 -0.959 -5.233 -2.443 422 HD11 ILE 51 HD11 ILE 51 -2.584 -7.636 0.001 423 HD12 ILE 51 HD12 ILE 51 -3.827 -8.271 -1.080 424 HD13 ILE 51 HD13 ILE 51 -4.252 -7.765 0.555 425 H GLU 52 H GLU 52 -3.932 -5.478 -5.027 426 HA GLU 52 HA GLU 52 -1.673 -4.515 -6.457 427 HB2 GLU 52 HB2 GLU 52 -4.360 -5.391 -7.596 428 HB3 GLU 52 HB3 GLU 52 -2.840 -5.295 -8.479 429 HG2 GLU 52 HG2 GLU 52 -1.924 -7.110 -7.045 430 HG3 GLU 52 HG3 GLU 52 -3.469 -7.211 -6.212 431 H LYS 53 H LYS 53 -4.995 -3.316 -6.151 432 HA LYS 53 HA LYS 53 -4.740 -1.116 -7.983 433 HB2 LYS 53 HB2 LYS 53 -6.813 -1.873 -5.901 434 HB3 LYS 53 HB3 LYS 53 -6.919 -0.341 -6.758 435 HG2 LYS 53 HG2 LYS 53 -6.926 -3.084 -8.059 436 HG3 LYS 53 HG3 LYS 53 -8.348 -2.074 -7.776 437 HD2 LYS 53 HD2 LYS 53 -5.970 -1.248 -9.482 438 HD3 LYS 53 HD3 LYS 53 -7.456 -1.951 -10.125 439 HE2 LYS 53 HE2 LYS 53 -8.743 -0.022 -9.303 440 HE3 LYS 53 HE3 LYS 53 -7.286 0.662 -8.578 441 HZ1 LYS 53 HZ1 LYS 53 -6.315 0.829 -10.789 442 HZ2 LYS 53 HZ2 LYS 53 -7.756 1.700 -10.695 443 HZ3 LYS 53 HZ3 LYS 53 -7.723 0.208 -11.484 444 H PHE 54 H PHE 54 -4.125 -1.566 -4.579 445 HA PHE 54 HA PHE 54 -3.804 1.183 -3.924 446 HB2 PHE 54 HB2 PHE 54 -4.165 -0.570 -2.182 447 HB3 PHE 54 HB3 PHE 54 -2.592 -1.269 -2.559 448 HD1 PHE 54 HD2 PHE 54 -4.281 1.765 -1.210 449 HD2 PHE 54 HD1 PHE 54 -0.583 -0.343 -1.609 450 HE1 PHE 54 HE2 PHE 54 -3.214 3.346 0.325 451 HE2 PHE 54 HE1 PHE 54 0.486 1.248 -0.094 452 HZ PHE 54 HZ PHE 54 -0.804 3.105 0.857 453 H ARG 55 H ARG 55 -1.577 -1.355 -5.026 454 HA ARG 55 HA ARG 55 0.816 0.145 -5.189 455 HB2 ARG 55 HB2 ARG 55 0.885 -2.271 -5.359 456 HB3 ARG 55 HB3 ARG 55 -0.191 -2.270 -6.747 457 HG2 ARG 55 HG2 ARG 55 1.588 -1.193 -8.106 458 HG3 ARG 55 HG3 ARG 55 2.672 -1.247 -6.715 459 HD2 ARG 55 HD2 ARG 55 2.771 -3.638 -6.767 460 HD3 ARG 55 HD3 ARG 55 1.394 -3.742 -7.865 461 HE ARG 55 HE ARG 55 2.762 -3.035 -9.651 462 HH11 ARG 55 HH11 ARG 55 4.701 -3.262 -6.797 463 HH12 ARG 55 HH12 ARG 55 6.120 -3.676 -7.692 464 HH21 ARG 55 HH21 ARG 55 4.599 -3.519 -10.742 465 HH22 ARG 55 HH22 ARG 55 6.069 -3.819 -9.875 466 H ASP 56 H ASP 56 -1.825 -0.340 -7.507 467 HA ASP 56 HA ASP 56 -0.797 0.978 -9.759 468 HB2 ASP 56 HB2 ASP 56 -2.744 -0.512 -9.858 469 HB3 ASP 56 HB3 ASP 56 -3.668 0.566 -8.820 470 H GLU 57 H GLU 57 -2.636 2.200 -6.994 471 HA GLU 57 HA GLU 57 -2.782 4.943 -7.800 472 HB2 GLU 57 HB2 GLU 57 -4.328 3.924 -6.151 473 HB3 GLU 57 HB3 GLU 57 -2.994 3.669 -5.038 474 HG2 GLU 57 HG2 GLU 57 -4.285 5.574 -4.312 475 HG3 GLU 57 HG3 GLU 57 -2.700 6.127 -4.846 476 H MET 58 H MET 58 -0.633 3.182 -5.533 477 HA MET 58 HA MET 58 1.024 5.303 -4.765 478 HB2 MET 58 HB2 MET 58 1.456 2.311 -4.799 479 HB3 MET 58 HB3 MET 58 2.765 3.385 -4.342 480 HG2 MET 58 HG2 MET 58 1.011 4.347 -2.644 481 HG3 MET 58 HG3 MET 58 0.221 2.785 -2.890 482 HE1 MET 58 HE1 MET 58 4.013 3.746 -3.025 483 HE2 MET 58 HE2 MET 58 4.585 3.247 -1.434 484 HE3 MET 58 HE3 MET 58 3.496 4.627 -1.586 485 H GLU 59 H GLU 59 1.147 3.355 -7.684 486 HA GLU 59 HA GLU 59 3.758 4.007 -8.566 487 HB2 GLU 59 HB2 GLU 59 2.442 2.154 -9.488 488 HB3 GLU 59 HB3 GLU 59 1.249 3.269 -10.128 489 HG2 GLU 59 HG2 GLU 59 3.948 3.856 -11.154 490 HG3 GLU 59 HG3 GLU 59 3.467 2.195 -11.491 491 H GLN 60 H GLN 60 0.611 5.546 -9.105 492 HA GLN 60 HA GLN 60 1.493 7.762 -10.655 493 HB2 GLN 60 HB2 GLN 60 -0.836 7.076 -10.689 494 HB3 GLN 60 HB3 GLN 60 -0.993 7.302 -8.952 495 HG2 GLN 60 HG2 GLN 60 -0.760 9.730 -9.223 496 HG3 GLN 60 HG3 GLN 60 -0.536 9.533 -10.959 497 HE21 GLN 60 HE21 GLN 60 -2.852 9.302 -8.329 498 HE22 GLN 60 HE22 GLN 60 -4.262 9.332 -9.320 499 H MET 61 H MET 61 0.899 7.417 -7.118 500 HA MET 61 HA MET 61 1.344 10.195 -6.517 501 HB2 MET 61 HB2 MET 61 1.226 7.786 -4.665 502 HB3 MET 61 HB3 MET 61 1.215 9.462 -4.132 503 HG2 MET 61 HG2 MET 61 -0.927 9.813 -5.335 504 HG3 MET 61 HG3 MET 61 -0.923 8.110 -5.806 505 HE1 MET 61 HE1 MET 61 0.302 6.817 -3.027 506 HE2 MET 61 HE2 MET 61 -0.995 6.102 -3.987 507 HE3 MET 61 HE3 MET 61 -1.219 6.363 -2.257 508 H TYR 62 H TYR 62 3.408 7.347 -6.507 509 HA TYR 62 HA TYR 62 5.659 8.477 -5.156 510 HB2 TYR 62 HB2 TYR 62 5.628 6.102 -5.200 511 HB3 TYR 62 HB3 TYR 62 5.282 6.040 -6.924 512 HD1 TYR 62 HD1 TYR 62 7.988 7.149 -4.550 513 HD2 TYR 62 HD2 TYR 62 7.057 5.563 -8.420 514 HE1 TYR 62 HE1 TYR 62 10.378 6.956 -5.051 515 HE2 TYR 62 HE2 TYR 62 9.458 5.371 -8.905 516 HH TYR 62 HH TYR 62 11.842 5.587 -6.601 517 H LYS 63 H LYS 63 4.978 7.959 -8.662 518 HA LYS 63 HA LYS 63 7.298 9.471 -9.493 519 HB2 LYS 63 HB2 LYS 63 4.918 8.451 -11.080 520 HB3 LYS 63 HB3 LYS 63 6.288 9.285 -11.809 521 HG2 LYS 63 HG2 LYS 63 7.794 7.497 -10.905 522 HG3 LYS 63 HG3 LYS 63 6.370 6.637 -10.325 523 HD2 LYS 63 HD2 LYS 63 6.741 7.364 -13.252 524 HD3 LYS 63 HD3 LYS 63 7.390 5.875 -12.574 525 HE2 LYS 63 HE2 LYS 63 5.259 5.442 -13.681 526 HE3 LYS 63 HE3 LYS 63 5.101 5.168 -11.949 527 HZ1 LYS 63 HZ1 LYS 63 4.230 7.649 -13.334 528 HZ2 LYS 63 HZ2 LYS 63 3.937 7.232 -11.722 529 HZ3 LYS 63 HZ3 LYS 63 3.209 6.353 -12.966 530 H ASP 64 H ASP 64 4.258 10.459 -8.362 531 HA ASP 64 HA ASP 64 4.338 13.140 -9.418 532 HB2 ASP 64 HB2 ASP 64 2.230 12.243 -8.600 533 HB3 ASP 64 HB3 ASP 64 2.926 11.892 -7.024 534 H ALA 65 H ALA 65 5.295 11.623 -6.306 535 HA ALA 65 HA ALA 65 7.380 13.659 -5.871 536 HB1 ALA 65 HB1 ALA 65 5.387 14.539 -4.721 537 HB2 ALA 65 HB2 ALA 65 6.644 14.092 -3.567 538 HB3 ALA 65 HB3 ALA 65 5.247 13.039 -3.801 539 HA PRO 66 HA PRO 66 9.058 9.405 -4.872 540 HB2 PRO 66 HB2 PRO 66 11.612 10.713 -5.757 541 HB3 PRO 66 HB3 PRO 66 10.896 9.178 -6.270 542 HG2 PRO 66 HG2 PRO 66 10.856 11.300 -7.907 543 HG3 PRO 66 HG3 PRO 66 9.452 10.212 -7.807 544 HD2 PRO 66 HD2 PRO 66 9.860 12.902 -6.471 545 HD3 PRO 66 HD3 PRO 66 8.444 12.296 -7.365 546 H ASN 67 H ASN 67 9.033 9.322 -2.669 547 HA ASN 67 HA ASN 67 10.694 11.169 -1.038 548 HB2 ASN 67 HB2 ASN 67 8.296 9.449 -0.258 549 HB3 ASN 67 HB3 ASN 67 9.121 10.602 0.790 550 HD21 ASN 67 HD21 ASN 67 6.338 10.372 -0.515 551 HD22 ASN 67 HD22 ASN 67 6.065 11.957 -1.129 552 H ALA 68 H ALA 68 12.090 9.085 -2.249 553 HA ALA 68 HA ALA 68 13.674 7.516 -1.916 554 HB1 ALA 68 HB1 ALA 68 13.531 8.364 0.994 555 HB2 ALA 68 HB2 ALA 68 14.489 9.141 -0.266 556 HB3 ALA 68 HB3 ALA 68 14.866 7.491 0.231 557 H VAL 69 H VAL 69 12.128 6.953 1.247 558 HA VAL 69 HA VAL 69 12.209 4.121 1.097 559 HB VAL 69 HB VAL 69 10.459 5.852 2.924 560 HG11 VAL 69 HG11 VAL 69 11.450 3.000 3.332 561 HG12 VAL 69 HG12 VAL 69 9.790 3.481 2.979 562 HG13 VAL 69 HG13 VAL 69 10.534 3.950 4.508 563 HG21 VAL 69 HG21 VAL 69 12.310 5.746 4.572 564 HG22 VAL 69 HG22 VAL 69 12.818 6.548 3.085 565 HG23 VAL 69 HG23 VAL 69 13.310 4.883 3.397 566 H MET 70 H MET 70 9.811 6.478 0.110 567 HA MET 70 HA MET 70 7.484 4.940 -0.089 568 HB2 MET 70 HB2 MET 70 7.727 7.469 -0.369 569 HB3 MET 70 HB3 MET 70 8.271 7.168 -2.011 570 HG2 MET 70 HG2 MET 70 6.105 6.193 -2.583 571 HG3 MET 70 HG3 MET 70 5.565 6.358 -0.911 572 HE1 MET 70 HE1 MET 70 3.392 7.765 -1.359 573 HE2 MET 70 HE2 MET 70 3.654 7.485 -3.082 574 HE3 MET 70 HE3 MET 70 3.325 9.113 -2.493 575 H GLU 71 H GLU 71 10.246 5.111 -2.315 576 HA GLU 71 HA GLU 71 9.175 3.635 -4.498 577 HB2 GLU 71 HB2 GLU 71 11.290 4.921 -4.653 578 HB3 GLU 71 HB3 GLU 71 12.057 3.831 -3.504 579 HG2 GLU 71 HG2 GLU 71 11.700 1.953 -5.164 580 HG3 GLU 71 HG3 GLU 71 11.132 3.154 -6.321 581 H GLN 72 H GLN 72 11.084 2.585 -1.678 582 HA GLN 72 HA GLN 72 11.181 -0.168 -2.166 583 HB2 GLN 72 HB2 GLN 72 11.190 1.368 0.465 584 HB3 GLN 72 HB3 GLN 72 11.465 -0.370 0.372 585 HG2 GLN 72 HG2 GLN 72 13.180 1.769 -0.920 586 HG3 GLN 72 HG3 GLN 72 13.573 0.863 0.539 587 HE21 GLN 72 HE21 GLN 72 13.354 0.726 -2.939 588 HE22 GLN 72 HE22 GLN 72 14.144 -0.795 -3.129 589 H LEU 73 H LEU 73 8.691 1.775 -0.612 590 HA LEU 73 HA LEU 73 7.017 -0.315 0.283 591 HB2 LEU 73 HB2 LEU 73 6.355 2.552 -0.457 592 HB3 LEU 73 HB3 LEU 73 5.265 1.471 0.404 593 HG LEU 73 HG LEU 73 8.008 2.270 1.458 594 HD11 LEU 73 HD11 LEU 73 6.897 3.804 2.994 595 HD12 LEU 73 HD12 LEU 73 5.342 3.468 2.231 596 HD13 LEU 73 HD13 LEU 73 6.619 4.271 1.317 597 HD21 LEU 73 HD21 LEU 73 7.217 1.392 3.610 598 HD22 LEU 73 HD22 LEU 73 7.192 0.140 2.373 599 HD23 LEU 73 HD23 LEU 73 5.684 0.913 2.873 600 H LEU 74 H LEU 74 7.139 1.343 -2.921 601 HA LEU 74 HA LEU 74 4.956 0.042 -4.150 602 HB2 LEU 74 HB2 LEU 74 7.523 1.194 -5.246 603 HB3 LEU 74 HB3 LEU 74 6.565 0.173 -6.306 604 HG LEU 74 HG LEU 74 4.596 1.762 -5.845 605 HD11 LEU 74 HD11 LEU 74 5.082 4.007 -5.103 606 HD12 LEU 74 HD12 LEU 74 6.779 3.596 -4.841 607 HD13 LEU 74 HD13 LEU 74 5.525 2.852 -3.848 608 HD21 LEU 74 HD21 LEU 74 6.995 2.887 -7.337 609 HD22 LEU 74 HD22 LEU 74 5.314 3.388 -7.541 610 HD23 LEU 74 HD23 LEU 74 5.804 1.757 -7.988 611 H GLU 75 H GLU 75 8.312 -1.009 -3.710 612 HA GLU 75 HA GLU 75 8.127 -3.447 -5.193 613 HB2 GLU 75 HB2 GLU 75 10.272 -2.211 -4.694 614 HB3 GLU 75 HB3 GLU 75 10.139 -2.723 -3.016 615 HG2 GLU 75 HG2 GLU 75 10.222 -5.114 -3.809 616 HG3 GLU 75 HG3 GLU 75 10.521 -4.516 -5.438 617 H GLU 76 H GLU 76 7.782 -2.664 -1.736 618 HA GLU 76 HA GLU 76 7.752 -5.290 -0.710 619 HB2 GLU 76 HB2 GLU 76 6.525 -2.757 0.463 620 HB3 GLU 76 HB3 GLU 76 6.677 -4.275 1.339 621 HG2 GLU 76 HG2 GLU 76 8.900 -2.468 0.374 622 HG3 GLU 76 HG3 GLU 76 8.453 -2.830 2.035 623 H ILE 77 H ILE 77 5.085 -3.186 -1.792 624 HA ILE 77 HA ILE 77 2.897 -4.843 -1.226 625 HB ILE 77 HB ILE 77 3.272 -3.013 -3.646 626 HG12 ILE 77 HG12 ILE 77 1.826 -2.417 -1.010 627 HG13 ILE 77 HG13 ILE 77 3.470 -1.901 -1.372 628 HG21 ILE 77 HG21 ILE 77 0.688 -4.190 -2.525 629 HG22 ILE 77 HG22 ILE 77 1.431 -4.586 -4.074 630 HG23 ILE 77 HG23 ILE 77 0.782 -2.971 -3.801 631 HD11 ILE 77 HD11 ILE 77 2.650 -0.535 -3.217 632 HD12 ILE 77 HD12 ILE 77 1.879 -0.105 -1.691 633 HD13 ILE 77 HD13 ILE 77 0.998 -1.062 -2.881 634 H GLU 78 H GLU 78 5.078 -4.891 -4.066 635 HA GLU 78 HA GLU 78 3.753 -6.948 -5.535 636 HB2 GLU 78 HB2 GLU 78 5.400 -5.241 -6.442 637 HB3 GLU 78 HB3 GLU 78 6.692 -6.169 -5.690 638 HG2 GLU 78 HG2 GLU 78 5.900 -8.154 -7.094 639 HG3 GLU 78 HG3 GLU 78 4.870 -7.017 -7.965 640 H LYS 79 H LYS 79 6.323 -6.974 -3.127 641 HA LYS 79 HA LYS 79 7.015 -9.747 -3.270 642 HB2 LYS 79 HB2 LYS 79 7.474 -7.636 -1.108 643 HB3 LYS 79 HB3 LYS 79 8.183 -9.251 -1.062 644 HG2 LYS 79 HG2 LYS 79 9.506 -8.838 -3.012 645 HG3 LYS 79 HG3 LYS 79 8.604 -7.380 -3.406 646 HD2 LYS 79 HD2 LYS 79 10.792 -6.764 -2.586 647 HD3 LYS 79 HD3 LYS 79 9.578 -6.251 -1.420 648 HE2 LYS 79 HE2 LYS 79 11.014 -8.876 -1.042 649 HE3 LYS 79 HE3 LYS 79 11.803 -7.365 -0.598 650 HZ1 LYS 79 HZ1 LYS 79 9.219 -8.357 0.469 651 HZ2 LYS 79 HZ2 LYS 79 9.923 -6.869 0.849 652 HZ3 LYS 79 HZ3 LYS 79 10.696 -8.304 1.290 653 H LEU 80 H LEU 80 4.613 -7.939 -1.424 654 HA LEU 80 HA LEU 80 3.633 -10.216 0.061 655 HB2 LEU 80 HB2 LEU 80 2.780 -7.347 -0.262 656 HB3 LEU 80 HB3 LEU 80 1.577 -8.486 0.308 657 HG LEU 80 HG LEU 80 2.661 -7.306 2.183 658 HD11 LEU 80 HD11 LEU 80 3.235 -9.250 3.566 659 HD12 LEU 80 HD12 LEU 80 3.348 -10.258 2.121 660 HD13 LEU 80 HD13 LEU 80 1.801 -9.546 2.588 661 HD21 LEU 80 HD21 LEU 80 4.875 -6.895 1.219 662 HD22 LEU 80 HD22 LEU 80 5.256 -8.616 1.304 663 HD23 LEU 80 HD23 LEU 80 5.001 -7.689 2.785 664 H LEU 81 H LEU 81 2.825 -8.701 -3.040 665 HA LEU 81 HA LEU 81 0.534 -10.234 -3.723 666 HB2 LEU 81 HB2 LEU 81 2.509 -8.549 -5.180 667 HB3 LEU 81 HB3 LEU 81 1.783 -9.795 -6.170 668 HG LEU 81 HG LEU 81 -0.433 -8.872 -5.865 669 HD11 LEU 81 HD11 LEU 81 -0.896 -6.849 -4.551 670 HD12 LEU 81 HD12 LEU 81 0.768 -6.839 -3.960 671 HD13 LEU 81 HD13 LEU 81 -0.317 -8.161 -3.526 672 HD21 LEU 81 HD21 LEU 81 0.954 -7.861 -7.624 673 HD22 LEU 81 HD22 LEU 81 1.551 -6.651 -6.485 674 HD23 LEU 81 HD23 LEU 81 -0.154 -6.672 -6.942 675 H LYS 82 H LYS 82 3.987 -10.850 -3.968 676 HA LYS 82 HA LYS 82 4.019 -13.217 -5.489 677 HB2 LYS 82 HB2 LYS 82 5.943 -11.574 -4.284 678 HB3 LYS 82 HB3 LYS 82 6.078 -13.032 -3.325 679 HG2 LYS 82 HG2 LYS 82 7.701 -13.249 -5.022 680 HG3 LYS 82 HG3 LYS 82 6.380 -14.303 -5.526 681 HD2 LYS 82 HD2 LYS 82 7.193 -13.075 -7.461 682 HD3 LYS 82 HD3 LYS 82 5.575 -12.500 -7.066 683 HE2 LYS 82 HE2 LYS 82 6.497 -10.494 -6.014 684 HE3 LYS 82 HE3 LYS 82 8.142 -11.090 -6.239 685 HZ1 LYS 82 HZ1 LYS 82 7.548 -9.437 -7.905 686 HZ2 LYS 82 HZ2 LYS 82 6.251 -10.389 -8.422 687 HZ3 LYS 82 HZ3 LYS 82 7.834 -10.938 -8.632 688 H LYS 83 H LYS 83 3.742 -12.676 -1.998 689 HA LYS 83 HA LYS 83 3.339 -15.405 -1.215 690 HB2 LYS 83 HB2 LYS 83 2.683 -12.775 0.175 691 HB3 LYS 83 HB3 LYS 83 2.565 -14.350 0.948 692 HG2 LYS 83 HG2 LYS 83 5.131 -13.154 -0.150 693 HG3 LYS 83 HG3 LYS 83 4.632 -13.098 1.543 694 HD2 LYS 83 HD2 LYS 83 4.625 -15.609 1.577 695 HD3 LYS 83 HD3 LYS 83 5.245 -15.600 -0.077 696 HE2 LYS 83 HE2 LYS 83 7.290 -14.469 0.667 697 HE3 LYS 83 HE3 LYS 83 6.658 -14.358 2.311 698 HZ1 LYS 83 HZ1 LYS 83 8.197 -16.182 2.132 699 HZ2 LYS 83 HZ2 LYS 83 7.321 -16.863 0.858 700 HZ3 LYS 83 HZ3 LYS 83 6.641 -16.789 2.402 701 H ALA 84 H ALA 84 1.154 -12.778 -2.164 702 HA ALA 84 HA ALA 84 -1.216 -13.772 -0.935 703 HB1 ALA 84 HB1 ALA 84 -0.959 -11.688 -3.117 704 HB2 ALA 84 HB2 ALA 84 -0.841 -11.386 -1.383 705 HB3 ALA 84 HB3 ALA 84 -2.366 -11.940 -2.077 706 H GLY 85 H GLY 85 0.100 -14.224 -4.156 707 HA2 GLY 85 HA2 GLY 85 -0.695 -16.378 -5.202 708 HA3 GLY 85 HA3 GLY 85 -2.323 -15.748 -4.994 709 H SER 86 H SER 86 -2.175 -16.320 -7.376 710 HA SER 86 HA SER 86 -2.317 -15.739 -9.536 711 HB2 SER 86 HB2 SER 86 -1.973 -12.865 -8.601 712 HB3 SER 86 HB3 SER 86 -2.574 -13.370 -10.182 713 HG SER 86 HG SER 86 -4.428 -13.230 -9.191 714 H LEU 87 H LEU 87 -0.879 -16.035 -11.138 715 HA LEU 87 HA LEU 87 1.942 -15.614 -10.702 716 HB2 LEU 87 HB2 LEU 87 0.427 -16.731 -13.094 717 HB3 LEU 87 HB3 LEU 87 2.176 -16.598 -13.027 718 HG LEU 87 HG LEU 87 2.111 -18.130 -10.966 719 HD11 LEU 87 HD11 LEU 87 -0.738 -18.677 -11.856 720 HD12 LEU 87 HD12 LEU 87 -0.249 -17.889 -10.356 721 HD13 LEU 87 HD13 LEU 87 0.165 -19.577 -10.633 722 HD21 LEU 87 HD21 LEU 87 1.930 -20.199 -12.295 723 HD22 LEU 87 HD22 LEU 87 2.844 -18.954 -13.143 724 HD23 LEU 87 HD23 LEU 87 1.175 -19.292 -13.611 725 H VAL 88 H VAL 88 2.008 -13.354 -10.505 726 HA VAL 88 HA VAL 88 1.337 -11.485 -12.554 727 HB VAL 88 HB VAL 88 2.672 -9.847 -11.236 728 HG11 VAL 88 HG11 VAL 88 0.933 -11.608 -9.467 729 HG12 VAL 88 HG12 VAL 88 0.373 -10.291 -10.498 730 HG13 VAL 88 HG13 VAL 88 1.404 -9.943 -9.110 731 HG21 VAL 88 HG21 VAL 88 4.569 -11.279 -10.573 732 HG22 VAL 88 HG22 VAL 88 3.515 -12.214 -9.510 733 HG23 VAL 88 HG23 VAL 88 3.847 -10.518 -9.154 734 HA PRO 89 HA PRO 89 4.902 -11.735 -15.359 735 HB2 PRO 89 HB2 PRO 89 5.510 -9.038 -15.773 736 HB3 PRO 89 HB3 PRO 89 4.232 -9.920 -16.616 737 HG2 PRO 89 HG2 PRO 89 4.011 -8.137 -14.193 738 HG3 PRO 89 HG3 PRO 89 2.973 -8.213 -15.634 739 HD2 PRO 89 HD2 PRO 89 2.206 -9.385 -13.345 740 HD3 PRO 89 HD3 PRO 89 1.888 -10.172 -14.907 741 H ARG 90 H ARG 90 7.206 -11.505 -15.396 742 HA ARG 90 HA ARG 90 8.488 -11.824 -12.927 743 HB2 ARG 90 HB2 ARG 90 9.214 -12.712 -15.203 744 HB3 ARG 90 HB3 ARG 90 9.867 -11.118 -15.554 745 HG2 ARG 90 HG2 ARG 90 11.435 -11.356 -13.637 746 HG3 ARG 90 HG3 ARG 90 10.763 -12.954 -13.305 747 HD2 ARG 90 HD2 ARG 90 11.484 -13.663 -15.615 748 HD3 ARG 90 HD3 ARG 90 12.298 -12.105 -15.790 749 HE ARG 90 HE ARG 90 13.013 -14.237 -13.872 750 HH11 ARG 90 HH11 ARG 90 13.961 -11.334 -15.517 751 HH12 ARG 90 HH12 ARG 90 15.624 -11.535 -15.102 752 HH21 ARG 90 HH21 ARG 90 15.134 -14.468 -13.394 753 HH22 ARG 90 HH22 ARG 90 16.280 -13.278 -13.903 754 H GLY 91 H GLY 91 8.977 -10.316 -11.431 755 HA2 GLY 91 HA2 GLY 91 8.578 -7.543 -11.790 756 HA3 GLY 91 HA3 GLY 91 9.253 -8.311 -10.367 757 H SER 92 H SER 92 9.977 -6.805 -13.444 758 HA SER 92 HA SER 92 12.565 -5.859 -12.579 759 HB2 SER 92 HB2 SER 92 13.201 -8.138 -13.296 760 HB3 SER 92 HB3 SER 92 12.427 -7.890 -14.861 761 HG SER 92 HG SER 92 14.013 -6.527 -15.447 762 H TYR 93 H TYR 93 12.548 -3.797 -13.311 763 HA TYR 93 HA TYR 93 11.803 -3.169 -16.110 764 HB2 TYR 93 HB2 TYR 93 10.828 -1.559 -13.699 765 HB3 TYR 93 HB3 TYR 93 10.596 -1.103 -15.382 766 HD1 TYR 93 HD1 TYR 93 9.107 -2.591 -16.858 767 HD2 TYR 93 HD2 TYR 93 9.262 -3.030 -12.604 768 HE1 TYR 93 HE1 TYR 93 6.990 -3.837 -16.903 769 HE2 TYR 93 HE2 TYR 93 7.145 -4.279 -12.657 770 HH TYR 93 HH TYR 93 5.769 -5.481 -15.508 771 H LEU 94 H LEU 94 12.823 -1.222 -16.938 772 HA LEU 94 HA LEU 94 14.877 0.077 -15.259 773 HB2 LEU 94 HB2 LEU 94 15.987 -1.739 -16.592 774 HB3 LEU 94 HB3 LEU 94 15.416 -0.973 -18.067 775 HG LEU 94 HG LEU 94 16.794 1.066 -17.482 776 HD11 LEU 94 HD11 LEU 94 18.554 0.891 -15.767 777 HD12 LEU 94 HD12 LEU 94 17.921 -0.677 -15.261 778 HD13 LEU 94 HD13 LEU 94 16.946 0.780 -15.055 779 HD21 LEU 94 HD21 LEU 94 17.652 -0.607 -19.071 780 HD22 LEU 94 HD22 LEU 94 18.387 -1.511 -17.745 781 HD23 LEU 94 HD23 LEU 94 18.959 0.113 -18.134 782 H GLU 95 H GLU 95 13.724 1.994 -15.150 783 HA GLU 95 HA GLU 95 13.393 3.525 -17.677 784 HB2 GLU 95 HB2 GLU 95 11.173 2.962 -16.924 785 HB3 GLU 95 HB3 GLU 95 11.541 3.412 -15.267 786 HG2 GLU 95 HG2 GLU 95 10.065 5.038 -16.445 787 HG3 GLU 95 HG3 GLU 95 11.539 5.753 -15.808 788 H HIS 96 H HIS 96 15.054 4.876 -17.684 789 HA HIS 96 HA HIS 96 15.286 6.901 -15.540 790 HB2 HIS 96 HB2 HIS 96 17.680 5.771 -17.064 791 HB3 HIS 96 HB3 HIS 96 17.725 7.022 -15.824 792 HD1 HIS 96 HD1 HIS 96 16.115 5.728 -13.583 793 HD2 HIS 96 HD2 HIS 96 18.888 3.645 -15.869 794 HE1 HIS 96 HE1 HIS 96 16.777 3.748 -12.203 795 HE2 HIS 96 HE2 HIS 96 18.585 2.610 -13.530 796 H HIS 97 H HIS 97 15.071 8.929 -16.336 797 HA HIS 97 HA HIS 97 14.725 9.419 -19.158 798 HB2 HIS 97 HB2 HIS 97 14.754 11.349 -16.803 799 HB3 HIS 97 HB3 HIS 97 14.348 11.810 -18.454 800 HD1 HIS 97 HD1 HIS 97 12.549 11.580 -15.632 801 HD2 HIS 97 HD2 HIS 97 12.202 9.425 -19.165 802 HE1 HIS 97 HE1 HIS 97 10.172 10.811 -15.718 803 HE2 HIS 97 HE2 HIS 97 9.966 9.564 -17.886 804 H HIS 98 H HIS 98 16.832 8.713 -19.880 805 HA HIS 98 HA HIS 98 19.158 10.386 -19.362 806 HB2 HIS 98 HB2 HIS 98 19.351 7.911 -19.750 807 HB3 HIS 98 HB3 HIS 98 18.791 8.141 -21.402 808 HD1 HIS 98 HD1 HIS 98 21.811 8.422 -19.242 809 HD2 HIS 98 HD2 HIS 98 20.732 9.385 -23.141 810 HE1 HIS 98 HE1 HIS 98 23.958 8.885 -20.443 811 HE2 HIS 98 HE2 HIS 98 23.291 9.287 -22.828 812 H HIS 99 H HIS 99 19.490 12.277 -20.421 813 HA HIS 99 HA HIS 99 17.595 13.214 -22.367 814 HB2 HIS 99 HB2 HIS 99 20.105 14.497 -21.221 815 HB3 HIS 99 HB3 HIS 99 18.988 15.326 -22.301 816 HD1 HIS 99 HD1 HIS 99 17.543 16.853 -21.012 817 HD2 HIS 99 HD2 HIS 99 18.372 13.404 -18.852 818 HE1 HIS 99 HE1 HIS 99 16.329 17.109 -18.838 819 HE2 HIS 99 HE2 HIS 99 16.882 15.041 -17.527 820 H HIS 100 H HIS 100 17.828 13.651 -24.524 821 HA HIS 100 HA HIS 100 20.408 13.184 -25.896 822 HB2 HIS 100 HB2 HIS 100 17.704 12.031 -26.741 823 HB3 HIS 100 HB3 HIS 100 19.104 12.095 -27.805 824 HD1 HIS 100 HD1 HIS 100 21.089 10.493 -27.259 825 HD2 HIS 100 HD2 HIS 100 17.760 9.970 -24.832 826 HE1 HIS 100 HE1 HIS 100 21.446 8.308 -26.095 827 HE2 HIS 100 HE2 HIS 100 19.297 7.900 -24.868 828 H HIS 101 H HIS 101 20.851 14.603 -27.523 829 HA HIS 101 HA HIS 101 18.801 16.414 -28.606 830 HB2 HIS 101 HB2 HIS 101 19.679 17.582 -26.607 831 HB3 HIS 101 HB3 HIS 101 21.326 17.401 -27.191 832 HD1 HIS 101 HD1 HIS 101 18.093 19.120 -28.229 833 HD2 HIS 101 HD2 HIS 101 22.200 19.553 -28.654 834 HE1 HIS 101 HE1 HIS 101 18.417 21.319 -29.382 835 HE2 HIS 101 HE2 HIS 101 20.905 21.633 -29.472 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -8.115 -20.667 4.571 2 H2 MET 1 H2 MET 1 -8.651 -21.105 6.110 3 H3 MET 1 H3 MET 1 -7.043 -21.375 5.668 4 HA MET 1 HA MET 1 -6.630 -19.024 5.507 5 HB2 MET 1 HB2 MET 1 -8.899 -18.356 4.815 6 HB3 MET 1 HB3 MET 1 -9.535 -18.771 6.401 7 HG2 MET 1 HG2 MET 1 -9.281 -16.348 6.113 8 HG3 MET 1 HG3 MET 1 -8.253 -16.952 7.414 9 HE1 MET 1 HE1 MET 1 -7.112 -14.433 7.143 10 HE2 MET 1 HE2 MET 1 -8.043 -14.081 5.686 11 HE3 MET 1 HE3 MET 1 -6.288 -13.926 5.668 12 H GLN 2 H GLN 2 -5.143 -19.226 7.104 13 HA GLN 2 HA GLN 2 -5.836 -18.892 9.881 14 HB2 GLN 2 HB2 GLN 2 -6.205 -21.313 9.746 15 HB3 GLN 2 HB3 GLN 2 -4.649 -21.549 8.960 16 HG2 GLN 2 HG2 GLN 2 -3.495 -20.834 11.030 17 HG3 GLN 2 HG3 GLN 2 -5.053 -20.599 11.818 18 HE21 GLN 2 HE21 GLN 2 -2.808 -22.388 12.505 19 HE22 GLN 2 HE22 GLN 2 -3.483 -23.974 12.580 20 H GLU 3 H GLU 3 -3.221 -19.918 7.657 21 HA GLU 3 HA GLU 3 -1.229 -18.600 9.416 22 HB2 GLU 3 HB2 GLU 3 -1.102 -21.102 9.263 23 HB3 GLU 3 HB3 GLU 3 -0.814 -20.959 7.536 24 HG2 GLU 3 HG2 GLU 3 1.288 -21.362 8.651 25 HG3 GLU 3 HG3 GLU 3 1.288 -19.721 8.006 26 H GLU 4 H GLU 4 -1.260 -19.647 5.966 27 HA GLU 4 HA GLU 4 0.833 -17.968 5.169 28 HB2 GLU 4 HB2 GLU 4 0.221 -20.000 3.933 29 HB3 GLU 4 HB3 GLU 4 -1.331 -19.302 3.497 30 HG2 GLU 4 HG2 GLU 4 0.153 -19.251 1.583 31 HG3 GLU 4 HG3 GLU 4 -0.191 -17.606 2.108 32 H ARG 5 H ARG 5 -2.573 -17.615 4.108 33 HA ARG 5 HA ARG 5 -2.284 -15.069 2.936 34 HB2 ARG 5 HB2 ARG 5 -4.129 -16.691 2.429 35 HB3 ARG 5 HB3 ARG 5 -4.822 -16.374 4.015 36 HG2 ARG 5 HG2 ARG 5 -5.134 -13.967 3.331 37 HG3 ARG 5 HG3 ARG 5 -4.582 -14.404 1.713 38 HD2 ARG 5 HD2 ARG 5 -7.056 -15.467 3.131 39 HD3 ARG 5 HD3 ARG 5 -7.031 -14.339 1.773 40 HE ARG 5 HE ARG 5 -5.735 -16.528 0.807 41 HH11 ARG 5 HH11 ARG 5 -8.855 -16.136 2.276 42 HH12 ARG 5 HH12 ARG 5 -9.542 -17.433 1.365 43 HH21 ARG 5 HH21 ARG 5 -6.654 -18.184 -0.312 44 HH22 ARG 5 HH22 ARG 5 -8.320 -18.580 -0.064 45 H LYS 6 H LYS 6 -3.221 -16.050 6.222 46 HA LYS 6 HA LYS 6 -4.268 -13.555 7.079 47 HB2 LYS 6 HB2 LYS 6 -4.233 -16.112 8.154 48 HB3 LYS 6 HB3 LYS 6 -3.117 -15.286 9.228 49 HG2 LYS 6 HG2 LYS 6 -5.980 -14.443 8.650 50 HG3 LYS 6 HG3 LYS 6 -5.431 -15.284 10.104 51 HD2 LYS 6 HD2 LYS 6 -4.167 -13.363 10.829 52 HD3 LYS 6 HD3 LYS 6 -4.377 -12.553 9.279 53 HE2 LYS 6 HE2 LYS 6 -6.804 -12.351 9.721 54 HE3 LYS 6 HE3 LYS 6 -6.570 -13.125 11.295 55 HZ1 LYS 6 HZ1 LYS 6 -5.080 -11.285 11.895 56 HZ2 LYS 6 HZ2 LYS 6 -6.640 -10.742 11.537 57 HZ3 LYS 6 HZ3 LYS 6 -5.399 -10.543 10.409 58 H LYS 7 H LYS 7 -1.025 -15.015 7.529 59 HA LYS 7 HA LYS 7 0.142 -12.832 8.960 60 HB2 LYS 7 HB2 LYS 7 0.946 -15.269 8.872 61 HB3 LYS 7 HB3 LYS 7 1.609 -14.927 7.286 62 HG2 LYS 7 HG2 LYS 7 2.459 -13.414 9.781 63 HG3 LYS 7 HG3 LYS 7 3.233 -14.912 9.271 64 HD2 LYS 7 HD2 LYS 7 3.823 -13.795 7.092 65 HD3 LYS 7 HD3 LYS 7 3.159 -12.289 7.727 66 HE2 LYS 7 HE2 LYS 7 5.568 -12.252 7.982 67 HE3 LYS 7 HE3 LYS 7 4.843 -12.391 9.585 68 HZ1 LYS 7 HZ1 LYS 7 5.982 -14.624 7.995 69 HZ2 LYS 7 HZ2 LYS 7 5.300 -14.761 9.535 70 HZ3 LYS 7 HZ3 LYS 7 6.721 -13.872 9.320 71 H LEU 8 H LEU 8 -0.130 -13.654 5.526 72 HA LEU 8 HA LEU 8 1.572 -11.740 4.361 73 HB2 LEU 8 HB2 LEU 8 0.386 -13.780 3.316 74 HB3 LEU 8 HB3 LEU 8 -1.038 -12.779 3.169 75 HG LEU 8 HG LEU 8 0.271 -13.089 1.040 76 HD11 LEU 8 HD11 LEU 8 -1.239 -11.188 1.220 77 HD12 LEU 8 HD12 LEU 8 0.169 -10.796 0.237 78 HD13 LEU 8 HD13 LEU 8 0.059 -10.197 1.895 79 HD21 LEU 8 HD21 LEU 8 2.528 -13.102 1.988 80 HD22 LEU 8 HD22 LEU 8 2.391 -11.384 2.376 81 HD23 LEU 8 HD23 LEU 8 2.379 -11.917 0.693 82 H LEU 9 H LEU 9 -1.902 -11.538 5.162 83 HA LEU 9 HA LEU 9 -2.296 -8.828 4.297 84 HB2 LEU 9 HB2 LEU 9 -3.992 -10.514 6.170 85 HB3 LEU 9 HB3 LEU 9 -4.500 -9.030 5.382 86 HG LEU 9 HG LEU 9 -3.879 -11.664 4.004 87 HD11 LEU 9 HD11 LEU 9 -6.261 -11.778 3.489 88 HD12 LEU 9 HD12 LEU 9 -6.544 -10.266 4.355 89 HD13 LEU 9 HD13 LEU 9 -6.007 -11.702 5.236 90 HD21 LEU 9 HD21 LEU 9 -4.649 -10.607 1.916 91 HD22 LEU 9 HD22 LEU 9 -3.203 -9.824 2.546 92 HD23 LEU 9 HD23 LEU 9 -4.779 -9.053 2.747 93 H GLU 10 H GLU 10 -1.441 -10.316 7.361 94 HA GLU 10 HA GLU 10 -1.740 -8.126 9.136 95 HB2 GLU 10 HB2 GLU 10 -1.414 -10.409 9.950 96 HB3 GLU 10 HB3 GLU 10 0.159 -10.511 9.167 97 HG2 GLU 10 HG2 GLU 10 0.995 -8.728 10.717 98 HG3 GLU 10 HG3 GLU 10 -0.564 -8.756 11.539 99 H LYS 11 H LYS 11 0.979 -9.233 7.171 100 HA LYS 11 HA LYS 11 2.888 -7.265 7.841 101 HB2 LYS 11 HB2 LYS 11 3.582 -9.333 6.824 102 HB3 LYS 11 HB3 LYS 11 2.527 -9.096 5.442 103 HG2 LYS 11 HG2 LYS 11 4.818 -8.768 4.777 104 HG3 LYS 11 HG3 LYS 11 3.948 -7.243 4.663 105 HD2 LYS 11 HD2 LYS 11 4.995 -6.511 6.806 106 HD3 LYS 11 HD3 LYS 11 5.898 -8.032 6.865 107 HE2 LYS 11 HE2 LYS 11 7.004 -7.456 4.727 108 HE3 LYS 11 HE3 LYS 11 6.095 -5.947 4.651 109 HZ1 LYS 11 HZ1 LYS 11 7.200 -5.360 6.804 110 HZ2 LYS 11 HZ2 LYS 11 8.222 -5.433 5.461 111 HZ3 LYS 11 HZ3 LYS 11 8.207 -6.700 6.586 112 H LEU 12 H LEU 12 0.352 -7.322 5.293 113 HA LEU 12 HA LEU 12 0.883 -4.916 3.976 114 HB2 LEU 12 HB2 LEU 12 -1.585 -6.541 4.392 115 HB3 LEU 12 HB3 LEU 12 -1.889 -4.853 4.051 116 HG LEU 12 HG LEU 12 -0.360 -5.189 1.969 117 HD11 LEU 12 HD11 LEU 12 -0.316 -7.445 1.029 118 HD12 LEU 12 HD12 LEU 12 -1.052 -8.089 2.500 119 HD13 LEU 12 HD13 LEU 12 0.559 -7.374 2.556 120 HD21 LEU 12 HD21 LEU 12 -3.106 -6.485 2.062 121 HD22 LEU 12 HD22 LEU 12 -2.278 -5.897 0.618 122 HD23 LEU 12 HD23 LEU 12 -2.780 -4.760 1.865 123 H GLU 13 H GLU 13 -0.873 -5.420 7.031 124 HA GLU 13 HA GLU 13 -2.033 -2.896 7.315 125 HB2 GLU 13 HB2 GLU 13 -2.716 -4.845 8.635 126 HB3 GLU 13 HB3 GLU 13 -1.171 -4.848 9.480 127 HG2 GLU 13 HG2 GLU 13 -1.695 -2.741 10.566 128 HG3 GLU 13 HG3 GLU 13 -3.161 -2.561 9.605 129 H LYS 14 H LYS 14 1.135 -4.011 8.607 130 HA LYS 14 HA LYS 14 1.998 -1.586 9.776 131 HB2 LYS 14 HB2 LYS 14 3.311 -3.604 10.145 132 HB3 LYS 14 HB3 LYS 14 3.604 -3.808 8.420 133 HG2 LYS 14 HG2 LYS 14 4.940 -1.685 8.437 134 HG3 LYS 14 HG3 LYS 14 4.721 -1.588 10.183 135 HD2 LYS 14 HD2 LYS 14 6.019 -3.622 10.509 136 HD3 LYS 14 HD3 LYS 14 6.084 -3.916 8.769 137 HE2 LYS 14 HE2 LYS 14 8.217 -2.990 9.616 138 HE3 LYS 14 HE3 LYS 14 7.455 -1.905 8.454 139 HZ1 LYS 14 HZ1 LYS 14 7.305 -1.605 11.406 140 HZ2 LYS 14 HZ2 LYS 14 6.683 -0.526 10.260 141 HZ3 LYS 14 HZ3 LYS 14 8.354 -0.748 10.397 142 H ILE 15 H ILE 15 2.379 -2.779 6.424 143 HA ILE 15 HA ILE 15 3.998 -0.710 5.430 144 HB ILE 15 HB ILE 15 2.058 -2.519 3.927 145 HG12 ILE 15 HG12 ILE 15 5.082 -2.786 4.330 146 HG13 ILE 15 HG13 ILE 15 3.872 -3.672 5.251 147 HG21 ILE 15 HG21 ILE 15 3.383 -2.029 1.877 148 HG22 ILE 15 HG22 ILE 15 4.329 -0.838 2.775 149 HG23 ILE 15 HG23 ILE 15 2.605 -0.577 2.508 150 HD11 ILE 15 HD11 ILE 15 4.337 -3.885 2.285 151 HD12 ILE 15 HD12 ILE 15 3.130 -4.781 3.214 152 HD13 ILE 15 HD13 ILE 15 4.847 -5.036 3.518 153 H LEU 16 H LEU 16 0.441 -0.942 5.564 154 HA LEU 16 HA LEU 16 -0.251 1.399 4.178 155 HB2 LEU 16 HB2 LEU 16 -1.538 -0.230 6.347 156 HB3 LEU 16 HB3 LEU 16 -2.222 1.347 6.012 157 HG LEU 16 HG LEU 16 -2.842 0.736 3.775 158 HD11 LEU 16 HD11 LEU 16 -1.341 -1.874 4.109 159 HD12 LEU 16 HD12 LEU 16 -0.910 -0.536 3.040 160 HD13 LEU 16 HD13 LEU 16 -2.386 -1.450 2.748 161 HD21 LEU 16 HD21 LEU 16 -4.389 -1.126 4.169 162 HD22 LEU 16 HD22 LEU 16 -4.368 -0.013 5.531 163 HD23 LEU 16 HD23 LEU 16 -3.520 -1.559 5.644 164 H ASP 17 H ASP 17 0.622 0.980 7.613 165 HA ASP 17 HA ASP 17 0.442 3.723 8.375 166 HB2 ASP 17 HB2 ASP 17 1.912 1.352 9.584 167 HB3 ASP 17 HB3 ASP 17 1.912 2.934 10.343 168 H GLU 18 H GLU 18 3.073 1.762 7.058 169 HA GLU 18 HA GLU 18 5.214 3.614 7.360 170 HB2 GLU 18 HB2 GLU 18 4.914 1.369 5.315 171 HB3 GLU 18 HB3 GLU 18 6.419 2.185 5.710 172 HG2 GLU 18 HG2 GLU 18 4.818 0.431 7.596 173 HG3 GLU 18 HG3 GLU 18 6.246 -0.065 6.698 174 H VAL 19 H VAL 19 2.819 3.100 4.792 175 HA VAL 19 HA VAL 19 4.109 4.811 2.857 176 HB VAL 19 HB VAL 19 1.327 3.568 2.763 177 HG11 VAL 19 HG11 VAL 19 1.476 5.548 1.295 178 HG12 VAL 19 HG12 VAL 19 1.363 4.071 0.342 179 HG13 VAL 19 HG13 VAL 19 2.920 4.888 0.523 180 HG21 VAL 19 HG21 VAL 19 3.890 2.671 1.375 181 HG22 VAL 19 HG22 VAL 19 2.305 1.904 1.241 182 HG23 VAL 19 HG23 VAL 19 3.165 1.888 2.776 183 H THR 20 H THR 20 1.257 5.103 5.004 184 HA THR 20 HA THR 20 0.456 7.714 4.206 185 HB THR 20 HB THR 20 -0.652 7.869 6.495 186 HG1 THR 20 HG1 THR 20 -0.109 5.183 7.003 187 HG21 THR 20 HG21 THR 20 -1.201 5.297 4.965 188 HG22 THR 20 HG22 THR 20 -1.888 6.881 4.596 189 HG23 THR 20 HG23 THR 20 -2.299 6.074 6.109 190 H ASP 21 H ASP 21 2.684 6.630 6.797 191 HA ASP 21 HA ASP 21 3.360 9.240 7.745 192 HB2 ASP 21 HB2 ASP 21 3.624 7.187 9.109 193 HB3 ASP 21 HB3 ASP 21 4.884 6.616 8.021 194 H GLY 22 H GLY 22 5.016 7.001 5.490 195 HA2 GLY 22 HA2 GLY 22 7.264 8.748 4.985 196 HA3 GLY 22 HA3 GLY 22 6.912 7.233 4.181 197 H ALA 23 H ALA 23 4.130 8.787 3.781 198 HA ALA 23 HA ALA 23 4.357 9.463 1.081 199 HB1 ALA 23 HB1 ALA 23 2.329 10.458 3.100 200 HB2 ALA 23 HB2 ALA 23 2.245 8.940 2.207 201 HB3 ALA 23 HB3 ALA 23 2.140 10.475 1.343 202 HA PRO 24 HA PRO 24 5.416 14.000 1.190 203 HB2 PRO 24 HB2 PRO 24 3.971 14.625 -1.134 204 HB3 PRO 24 HB3 PRO 24 5.675 14.167 -1.094 205 HG2 PRO 24 HG2 PRO 24 3.276 12.499 -1.750 206 HG3 PRO 24 HG3 PRO 24 4.903 12.456 -2.459 207 HD2 PRO 24 HD2 PRO 24 4.041 10.600 -0.664 208 HD3 PRO 24 HD3 PRO 24 5.740 11.113 -0.752 209 H ASP 25 H ASP 25 4.185 15.717 2.005 210 HA ASP 25 HA ASP 25 2.177 15.061 3.777 211 HB2 ASP 25 HB2 ASP 25 2.748 17.830 2.633 212 HB3 ASP 25 HB3 ASP 25 1.913 17.502 4.149 213 H GLU 26 H GLU 26 1.693 16.578 0.593 214 HA GLU 26 HA GLU 26 -1.141 16.943 0.877 215 HB2 GLU 26 HB2 GLU 26 -1.064 17.588 -1.524 216 HB3 GLU 26 HB3 GLU 26 0.119 18.442 -0.542 217 HG2 GLU 26 HG2 GLU 26 1.895 16.911 -1.362 218 HG3 GLU 26 HG3 GLU 26 0.713 16.096 -2.384 219 H ALA 27 H ALA 27 0.866 14.408 -0.587 220 HA ALA 27 HA ALA 27 -1.303 12.992 -1.871 221 HB1 ALA 27 HB1 ALA 27 1.523 12.047 -1.282 222 HB2 ALA 27 HB2 ALA 27 1.001 12.889 -2.741 223 HB3 ALA 27 HB3 ALA 27 0.372 11.280 -2.382 224 H ARG 28 H ARG 28 0.082 12.990 1.304 225 HA ARG 28 HA ARG 28 -0.422 10.449 2.298 226 HB2 ARG 28 HB2 ARG 28 0.844 12.142 3.536 227 HB3 ARG 28 HB3 ARG 28 -0.596 13.134 3.723 228 HG2 ARG 28 HG2 ARG 28 -1.611 11.443 5.179 229 HG3 ARG 28 HG3 ARG 28 -0.226 10.374 4.946 230 HD2 ARG 28 HD2 ARG 28 -0.102 11.534 7.112 231 HD3 ARG 28 HD3 ARG 28 1.235 12.018 6.065 232 HE ARG 28 HE ARG 28 -1.180 13.691 6.230 233 HH11 ARG 28 HH11 ARG 28 2.233 13.413 6.827 234 HH12 ARG 28 HH12 ARG 28 2.388 15.091 7.213 235 HH21 ARG 28 HH21 ARG 28 -0.932 15.799 6.717 236 HH22 ARG 28 HH22 ARG 28 0.618 16.419 7.165 237 H GLU 29 H GLU 29 -2.644 13.170 1.984 238 HA GLU 29 HA GLU 29 -4.882 12.347 3.406 239 HB2 GLU 29 HB2 GLU 29 -4.828 13.857 0.756 240 HB3 GLU 29 HB3 GLU 29 -6.163 13.852 1.906 241 HG2 GLU 29 HG2 GLU 29 -4.717 14.981 3.576 242 HG3 GLU 29 HG3 GLU 29 -3.394 14.983 2.412 243 H ARG 30 H ARG 30 -4.052 11.662 0.025 244 HA ARG 30 HA ARG 30 -6.317 10.191 -0.784 245 HB2 ARG 30 HB2 ARG 30 -4.646 11.204 -2.322 246 HB3 ARG 30 HB3 ARG 30 -3.432 10.058 -1.772 247 HG2 ARG 30 HG2 ARG 30 -4.233 9.350 -3.933 248 HG3 ARG 30 HG3 ARG 30 -4.812 8.198 -2.729 249 HD2 ARG 30 HD2 ARG 30 -7.038 9.235 -2.767 250 HD3 ARG 30 HD3 ARG 30 -6.466 10.468 -3.901 251 HE ARG 30 HE ARG 30 -6.044 7.836 -4.909 252 HH11 ARG 30 HH11 ARG 30 -8.533 10.220 -4.581 253 HH12 ARG 30 HH12 ARG 30 -9.431 9.588 -5.912 254 HH21 ARG 30 HH21 ARG 30 -7.202 7.082 -6.596 255 HH22 ARG 30 HH22 ARG 30 -8.703 7.827 -7.028 256 H ILE 31 H ILE 31 -3.265 9.173 0.682 257 HA ILE 31 HA ILE 31 -3.598 6.345 0.324 258 HB ILE 31 HB ILE 31 -1.727 7.768 2.285 259 HG12 ILE 31 HG12 ILE 31 -1.201 6.992 -0.621 260 HG13 ILE 31 HG13 ILE 31 -1.509 8.631 -0.065 261 HG21 ILE 31 HG21 ILE 31 -0.335 5.742 2.107 262 HG22 ILE 31 HG22 ILE 31 -1.492 5.008 0.996 263 HG23 ILE 31 HG23 ILE 31 -1.950 5.313 2.672 264 HD11 ILE 31 HD11 ILE 31 0.858 6.921 0.650 265 HD12 ILE 31 HD12 ILE 31 0.549 8.546 1.261 266 HD13 ILE 31 HD13 ILE 31 0.829 8.286 -0.461 267 H GLU 32 H GLU 32 -4.212 8.594 3.018 268 HA GLU 32 HA GLU 32 -4.652 6.730 5.090 269 HB2 GLU 32 HB2 GLU 32 -5.743 9.551 4.732 270 HB3 GLU 32 HB3 GLU 32 -5.902 8.622 6.220 271 HG2 GLU 32 HG2 GLU 32 -3.444 8.539 6.442 272 HG3 GLU 32 HG3 GLU 32 -3.273 9.452 4.948 273 H LYS 33 H LYS 33 -6.914 8.068 2.695 274 HA LYS 33 HA LYS 33 -9.311 6.918 3.707 275 HB2 LYS 33 HB2 LYS 33 -9.357 8.742 2.049 276 HB3 LYS 33 HB3 LYS 33 -8.591 7.700 0.850 277 HG2 LYS 33 HG2 LYS 33 -10.600 6.192 0.950 278 HG3 LYS 33 HG3 LYS 33 -11.368 7.348 2.042 279 HD2 LYS 33 HD2 LYS 33 -11.306 9.072 0.285 280 HD3 LYS 33 HD3 LYS 33 -10.467 7.957 -0.798 281 HE2 LYS 33 HE2 LYS 33 -12.442 6.447 -0.742 282 HE3 LYS 33 HE3 LYS 33 -13.280 7.602 0.296 283 HZ1 LYS 33 HZ1 LYS 33 -13.921 7.795 -2.030 284 HZ2 LYS 33 HZ2 LYS 33 -12.327 8.160 -2.456 285 HZ3 LYS 33 HZ3 LYS 33 -13.199 9.215 -1.465 286 H LEU 34 H LEU 34 -7.146 5.840 1.057 287 HA LEU 34 HA LEU 34 -8.544 3.441 0.467 288 HB2 LEU 34 HB2 LEU 34 -7.051 4.615 -1.128 289 HB3 LEU 34 HB3 LEU 34 -5.659 4.188 -0.148 290 HG LEU 34 HG LEU 34 -6.011 1.784 -0.666 291 HD11 LEU 34 HD11 LEU 34 -8.443 1.738 -0.942 292 HD12 LEU 34 HD12 LEU 34 -7.645 1.059 -2.357 293 HD13 LEU 34 HD13 LEU 34 -8.315 2.692 -2.424 294 HD21 LEU 34 HD21 LEU 34 -5.915 3.515 -3.162 295 HD22 LEU 34 HD22 LEU 34 -5.369 1.839 -3.040 296 HD23 LEU 34 HD23 LEU 34 -4.542 3.101 -2.131 297 H ALA 35 H ALA 35 -6.020 4.160 2.789 298 HA ALA 35 HA ALA 35 -5.125 1.570 3.471 299 HB1 ALA 35 HB1 ALA 35 -5.327 4.017 5.265 300 HB2 ALA 35 HB2 ALA 35 -3.974 3.629 4.202 301 HB3 ALA 35 HB3 ALA 35 -4.343 2.583 5.574 302 H LYS 36 H LYS 36 -7.893 3.477 4.634 303 HA LYS 36 HA LYS 36 -8.893 1.642 6.561 304 HB2 LYS 36 HB2 LYS 36 -9.662 3.984 6.489 305 HB3 LYS 36 HB3 LYS 36 -10.375 3.731 4.899 306 HG2 LYS 36 HG2 LYS 36 -11.945 2.062 5.919 307 HG3 LYS 36 HG3 LYS 36 -11.277 2.453 7.507 308 HD2 LYS 36 HD2 LYS 36 -12.072 4.764 7.302 309 HD3 LYS 36 HD3 LYS 36 -12.637 4.450 5.658 310 HE2 LYS 36 HE2 LYS 36 -14.243 2.769 6.570 311 HE3 LYS 36 HE3 LYS 36 -13.714 3.182 8.201 312 HZ1 LYS 36 HZ1 LYS 36 -14.486 5.436 7.832 313 HZ2 LYS 36 HZ2 LYS 36 -15.741 4.321 7.615 314 HZ3 LYS 36 HZ3 LYS 36 -15.002 5.032 6.275 315 H ASP 37 H ASP 37 -9.639 2.103 3.079 316 HA ASP 37 HA ASP 37 -11.700 0.203 2.832 317 HB2 ASP 37 HB2 ASP 37 -9.762 1.263 0.734 318 HB3 ASP 37 HB3 ASP 37 -11.183 0.291 0.355 319 H VAL 38 H VAL 38 -8.176 -0.238 2.590 320 HA VAL 38 HA VAL 38 -8.170 -2.932 1.690 321 HB VAL 38 HB VAL 38 -6.125 -1.550 3.498 322 HG11 VAL 38 HG11 VAL 38 -4.518 -3.300 2.772 323 HG12 VAL 38 HG12 VAL 38 -5.806 -4.122 1.887 324 HG13 VAL 38 HG13 VAL 38 -5.882 -4.001 3.645 325 HG21 VAL 38 HG21 VAL 38 -6.101 -1.909 0.469 326 HG22 VAL 38 HG22 VAL 38 -4.804 -1.195 1.432 327 HG23 VAL 38 HG23 VAL 38 -6.370 -0.394 1.335 328 H LYS 39 H LYS 39 -8.383 -1.507 4.945 329 HA LYS 39 HA LYS 39 -8.373 -3.921 6.455 330 HB2 LYS 39 HB2 LYS 39 -9.450 -1.161 7.135 331 HB3 LYS 39 HB3 LYS 39 -9.306 -2.474 8.302 332 HG2 LYS 39 HG2 LYS 39 -6.881 -2.485 8.062 333 HG3 LYS 39 HG3 LYS 39 -6.968 -1.268 6.784 334 HD2 LYS 39 HD2 LYS 39 -7.822 0.397 8.361 335 HD3 LYS 39 HD3 LYS 39 -7.915 -0.816 9.641 336 HE2 LYS 39 HE2 LYS 39 -5.352 0.117 8.314 337 HE3 LYS 39 HE3 LYS 39 -5.946 0.673 9.879 338 HZ1 LYS 39 HZ1 LYS 39 -4.302 -1.040 10.170 339 HZ2 LYS 39 HZ2 LYS 39 -5.167 -2.112 9.191 340 HZ3 LYS 39 HZ3 LYS 39 -5.809 -1.626 10.676 341 H ASP 40 H ASP 40 -11.048 -2.019 5.023 342 HA ASP 40 HA ASP 40 -13.275 -3.438 5.943 343 HB2 ASP 40 HB2 ASP 40 -12.756 -2.183 3.211 344 HB3 ASP 40 HB3 ASP 40 -14.314 -2.877 3.660 345 H GLU 41 H GLU 41 -11.115 -4.173 3.227 346 HA GLU 41 HA GLU 41 -12.442 -6.611 2.492 347 HB2 GLU 41 HB2 GLU 41 -9.764 -5.510 1.599 348 HB3 GLU 41 HB3 GLU 41 -10.604 -6.876 0.864 349 HG2 GLU 41 HG2 GLU 41 -11.559 -3.993 0.941 350 HG3 GLU 41 HG3 GLU 41 -10.950 -4.863 -0.463 351 H LEU 42 H LEU 42 -9.778 -5.830 4.649 352 HA LEU 42 HA LEU 42 -8.875 -8.490 5.135 353 HB2 LEU 42 HB2 LEU 42 -8.903 -6.176 7.115 354 HB3 LEU 42 HB3 LEU 42 -8.006 -7.672 7.309 355 HG LEU 42 HG LEU 42 -7.475 -5.457 5.302 356 HD11 LEU 42 HD11 LEU 42 -6.590 -5.004 7.522 357 HD12 LEU 42 HD12 LEU 42 -5.278 -5.301 6.388 358 HD13 LEU 42 HD13 LEU 42 -5.749 -6.557 7.536 359 HD21 LEU 42 HD21 LEU 42 -7.149 -7.543 4.103 360 HD22 LEU 42 HD22 LEU 42 -6.136 -8.174 5.403 361 HD23 LEU 42 HD23 LEU 42 -5.589 -6.799 4.442 362 H GLU 43 H GLU 43 -11.767 -6.805 6.158 363 HA GLU 43 HA GLU 43 -12.652 -8.724 8.118 364 HB2 GLU 43 HB2 GLU 43 -14.371 -6.846 6.430 365 HB3 GLU 43 HB3 GLU 43 -14.857 -7.647 7.919 366 HG2 GLU 43 HG2 GLU 43 -12.757 -5.475 7.659 367 HG3 GLU 43 HG3 GLU 43 -14.399 -5.264 8.260 368 H GLU 44 H GLU 44 -13.561 -8.115 4.690 369 HA GLU 44 HA GLU 44 -13.845 -10.900 4.016 370 HB2 GLU 44 HB2 GLU 44 -16.269 -10.908 3.547 371 HB3 GLU 44 HB3 GLU 44 -15.973 -10.588 5.251 372 HG2 GLU 44 HG2 GLU 44 -16.343 -8.162 4.843 373 HG3 GLU 44 HG3 GLU 44 -16.701 -8.510 3.154 374 H GLY 45 H GLY 45 -14.922 -11.076 1.703 375 HA2 GLY 45 HA2 GLY 45 -15.287 -10.177 -0.459 376 HA3 GLY 45 HA3 GLY 45 -14.462 -8.702 0.008 377 H ASP 46 H ASP 46 -12.491 -8.439 -0.931 378 HA ASP 46 HA ASP 46 -10.713 -10.735 -1.366 379 HB2 ASP 46 HB2 ASP 46 -12.222 -10.227 -3.465 380 HB3 ASP 46 HB3 ASP 46 -11.183 -8.831 -3.700 381 H ALA 47 H ALA 47 -9.088 -10.050 -0.088 382 HA ALA 47 HA ALA 47 -8.214 -7.274 0.065 383 HB1 ALA 47 HB1 ALA 47 -8.275 -8.665 2.093 384 HB2 ALA 47 HB2 ALA 47 -6.640 -8.080 1.766 385 HB3 ALA 47 HB3 ALA 47 -7.070 -9.752 1.397 386 H LYS 48 H LYS 48 -7.221 -10.166 -1.662 387 HA LYS 48 HA LYS 48 -4.560 -9.460 -2.362 388 HB2 LYS 48 HB2 LYS 48 -5.409 -11.731 -2.699 389 HB3 LYS 48 HB3 LYS 48 -6.610 -11.156 -3.841 390 HG2 LYS 48 HG2 LYS 48 -4.088 -10.323 -4.901 391 HG3 LYS 48 HG3 LYS 48 -3.836 -11.965 -4.324 392 HD2 LYS 48 HD2 LYS 48 -4.499 -11.930 -6.710 393 HD3 LYS 48 HD3 LYS 48 -5.690 -12.778 -5.720 394 HE2 LYS 48 HE2 LYS 48 -7.148 -10.800 -5.736 395 HE3 LYS 48 HE3 LYS 48 -5.939 -9.894 -6.645 396 HZ1 LYS 48 HZ1 LYS 48 -7.712 -10.715 -8.046 397 HZ2 LYS 48 HZ2 LYS 48 -7.359 -12.309 -7.604 398 HZ3 LYS 48 HZ3 LYS 48 -6.232 -11.405 -8.481 399 H ASN 49 H ASN 49 -7.683 -8.786 -3.883 400 HA ASN 49 HA ASN 49 -6.960 -7.282 -6.108 401 HB2 ASN 49 HB2 ASN 49 -9.259 -7.855 -5.892 402 HB3 ASN 49 HB3 ASN 49 -9.370 -7.206 -4.262 403 HD21 ASN 49 HD21 ASN 49 -9.774 -5.006 -3.985 404 HD22 ASN 49 HD22 ASN 49 -10.229 -3.969 -5.284 405 H MET 50 H MET 50 -7.251 -6.302 -2.732 406 HA MET 50 HA MET 50 -6.861 -3.505 -3.130 407 HB2 MET 50 HB2 MET 50 -6.452 -5.115 -0.586 408 HB3 MET 50 HB3 MET 50 -6.678 -3.367 -0.700 409 HG2 MET 50 HG2 MET 50 -8.694 -5.500 -1.400 410 HG3 MET 50 HG3 MET 50 -8.733 -4.419 -0.008 411 HE1 MET 50 HE1 MET 50 -9.595 -0.979 -1.556 412 HE2 MET 50 HE2 MET 50 -7.995 -1.579 -1.123 413 HE3 MET 50 HE3 MET 50 -9.378 -1.922 -0.079 414 H ILE 51 H ILE 51 -4.618 -6.193 -2.607 415 HA ILE 51 HA ILE 51 -2.279 -4.645 -2.094 416 HB ILE 51 HB ILE 51 -2.266 -7.290 -3.614 417 HG12 ILE 51 HG12 ILE 51 -2.306 -6.998 -0.578 418 HG13 ILE 51 HG13 ILE 51 -3.676 -7.523 -1.545 419 HG21 ILE 51 HG21 ILE 51 -0.101 -6.098 -3.488 420 HG22 ILE 51 HG22 ILE 51 -0.044 -7.594 -2.559 421 HG23 ILE 51 HG23 ILE 51 -0.219 -6.047 -1.727 422 HD11 ILE 51 HD11 ILE 51 -2.381 -9.478 -2.278 423 HD12 ILE 51 HD12 ILE 51 -2.593 -9.411 -0.529 424 HD13 ILE 51 HD13 ILE 51 -1.045 -8.962 -1.244 425 H GLU 52 H GLU 52 -3.804 -5.833 -5.082 426 HA GLU 52 HA GLU 52 -1.962 -4.793 -6.986 427 HB2 GLU 52 HB2 GLU 52 -4.942 -5.318 -7.373 428 HB3 GLU 52 HB3 GLU 52 -3.729 -5.184 -8.646 429 HG2 GLU 52 HG2 GLU 52 -2.638 -7.238 -7.801 430 HG3 GLU 52 HG3 GLU 52 -3.866 -7.371 -6.549 431 H LYS 53 H LYS 53 -4.992 -3.491 -5.642 432 HA LYS 53 HA LYS 53 -5.125 -1.170 -7.335 433 HB2 LYS 53 HB2 LYS 53 -6.644 -1.895 -4.798 434 HB3 LYS 53 HB3 LYS 53 -6.967 -0.434 -5.725 435 HG2 LYS 53 HG2 LYS 53 -7.258 -3.277 -6.750 436 HG3 LYS 53 HG3 LYS 53 -8.583 -2.228 -6.233 437 HD2 LYS 53 HD2 LYS 53 -7.995 -0.629 -8.066 438 HD3 LYS 53 HD3 LYS 53 -6.711 -1.722 -8.590 439 HE2 LYS 53 HE2 LYS 53 -8.692 -1.992 -10.006 440 HE3 LYS 53 HE3 LYS 53 -8.410 -3.464 -9.077 441 HZ1 LYS 53 HZ1 LYS 53 -10.420 -1.359 -8.501 442 HZ2 LYS 53 HZ2 LYS 53 -10.116 -2.683 -7.497 443 HZ3 LYS 53 HZ3 LYS 53 -10.722 -2.928 -9.057 444 H PHE 54 H PHE 54 -4.009 -1.733 -4.028 445 HA PHE 54 HA PHE 54 -3.450 1.008 -3.420 446 HB2 PHE 54 HB2 PHE 54 -3.874 -0.753 -1.668 447 HB3 PHE 54 HB3 PHE 54 -2.328 -1.486 -2.069 448 HD1 PHE 54 HD2 PHE 54 -3.958 1.460 -0.508 449 HD2 PHE 54 HD1 PHE 54 -0.236 -0.488 -1.297 450 HE1 PHE 54 HE2 PHE 54 -2.820 2.988 1.047 451 HE2 PHE 54 HE1 PHE 54 0.889 1.045 0.237 452 HZ PHE 54 HZ PHE 54 -0.392 2.795 1.405 453 H ARG 55 H ARG 55 -1.546 -1.707 -4.737 454 HA ARG 55 HA ARG 55 0.983 -0.428 -4.876 455 HB2 ARG 55 HB2 ARG 55 0.619 -2.887 -5.274 456 HB3 ARG 55 HB3 ARG 55 -0.160 -2.512 -6.800 457 HG2 ARG 55 HG2 ARG 55 2.418 -1.258 -6.889 458 HG3 ARG 55 HG3 ARG 55 2.680 -2.866 -6.227 459 HD2 ARG 55 HD2 ARG 55 2.962 -3.056 -8.584 460 HD3 ARG 55 HD3 ARG 55 1.392 -3.777 -8.232 461 HE ARG 55 HE ARG 55 1.828 -1.101 -9.438 462 HH11 ARG 55 HH11 ARG 55 -0.315 -3.788 -8.952 463 HH12 ARG 55 HH12 ARG 55 -1.372 -3.291 -10.222 464 HH21 ARG 55 HH21 ARG 55 0.461 -0.499 -11.032 465 HH22 ARG 55 HH22 ARG 55 -0.958 -1.434 -11.363 466 H ASP 56 H ASP 56 -1.781 -0.504 -7.090 467 HA ASP 56 HA ASP 56 -0.611 0.831 -9.313 468 HB2 ASP 56 HB2 ASP 56 -2.632 -0.662 -9.407 469 HB3 ASP 56 HB3 ASP 56 -3.562 0.569 -8.563 470 H GLU 57 H GLU 57 -2.618 1.939 -6.605 471 HA GLU 57 HA GLU 57 -2.819 4.676 -7.339 472 HB2 GLU 57 HB2 GLU 57 -4.344 3.533 -5.725 473 HB3 GLU 57 HB3 GLU 57 -3.018 3.389 -4.582 474 HG2 GLU 57 HG2 GLU 57 -4.522 5.218 -3.972 475 HG3 GLU 57 HG3 GLU 57 -2.910 5.823 -4.347 476 H MET 58 H MET 58 -0.696 3.021 -4.973 477 HA MET 58 HA MET 58 1.025 5.128 -4.345 478 HB2 MET 58 HB2 MET 58 1.225 2.149 -4.194 479 HB3 MET 58 HB3 MET 58 2.741 3.019 -4.136 480 HG2 MET 58 HG2 MET 58 1.370 4.403 -2.257 481 HG3 MET 58 HG3 MET 58 0.605 2.817 -2.101 482 HE1 MET 58 HE1 MET 58 5.175 3.468 -1.765 483 HE2 MET 58 HE2 MET 58 4.038 4.796 -1.997 484 HE3 MET 58 HE3 MET 58 4.282 3.608 -3.279 485 H GLU 59 H GLU 59 1.126 2.918 -7.107 486 HA GLU 59 HA GLU 59 3.672 3.513 -8.135 487 HB2 GLU 59 HB2 GLU 59 2.189 1.616 -8.869 488 HB3 GLU 59 HB3 GLU 59 1.162 2.774 -9.697 489 HG2 GLU 59 HG2 GLU 59 3.157 3.375 -11.137 490 HG3 GLU 59 HG3 GLU 59 4.024 2.036 -10.385 491 H GLN 60 H GLN 60 0.489 4.882 -8.917 492 HA GLN 60 HA GLN 60 1.174 6.936 -10.672 493 HB2 GLN 60 HB2 GLN 60 -1.130 6.318 -10.350 494 HB3 GLN 60 HB3 GLN 60 -1.059 6.675 -8.630 495 HG2 GLN 60 HG2 GLN 60 -0.857 9.086 -9.134 496 HG3 GLN 60 HG3 GLN 60 -0.925 8.733 -10.858 497 HE21 GLN 60 HE21 GLN 60 -2.769 8.704 -7.863 498 HE22 GLN 60 HE22 GLN 60 -4.325 8.685 -8.606 499 H MET 61 H MET 61 0.782 7.181 -7.109 500 HA MET 61 HA MET 61 1.513 9.933 -6.926 501 HB2 MET 61 HB2 MET 61 1.377 7.797 -4.769 502 HB3 MET 61 HB3 MET 61 1.556 9.518 -4.458 503 HG2 MET 61 HG2 MET 61 -0.644 9.951 -5.448 504 HG3 MET 61 HG3 MET 61 -0.823 8.239 -5.836 505 HE1 MET 61 HE1 MET 61 0.423 6.863 -3.131 506 HE2 MET 61 HE2 MET 61 -1.005 6.327 -4.019 507 HE3 MET 61 HE3 MET 61 -1.101 6.608 -2.282 508 H TYR 62 H TYR 62 3.402 7.017 -6.905 509 HA TYR 62 HA TYR 62 5.878 8.112 -5.969 510 HB2 TYR 62 HB2 TYR 62 5.601 5.714 -5.865 511 HB3 TYR 62 HB3 TYR 62 5.188 5.615 -7.573 512 HD1 TYR 62 HD1 TYR 62 8.032 6.489 -5.276 513 HD2 TYR 62 HD2 TYR 62 6.894 5.120 -9.169 514 HE1 TYR 62 HE1 TYR 62 10.386 6.082 -5.831 515 HE2 TYR 62 HE2 TYR 62 9.254 4.710 -9.708 516 HH TYR 62 HH TYR 62 11.687 4.640 -7.403 517 H LYS 63 H LYS 63 4.383 7.711 -9.178 518 HA LYS 63 HA LYS 63 6.597 8.773 -10.676 519 HB2 LYS 63 HB2 LYS 63 3.669 8.613 -11.495 520 HB3 LYS 63 HB3 LYS 63 5.026 8.898 -12.581 521 HG2 LYS 63 HG2 LYS 63 4.491 6.366 -11.009 522 HG3 LYS 63 HG3 LYS 63 4.227 6.591 -12.735 523 HD2 LYS 63 HD2 LYS 63 6.645 6.851 -13.092 524 HD3 LYS 63 HD3 LYS 63 6.940 6.734 -11.354 525 HE2 LYS 63 HE2 LYS 63 6.125 4.421 -11.346 526 HE3 LYS 63 HE3 LYS 63 5.728 4.531 -13.062 527 HZ1 LYS 63 HZ1 LYS 63 7.831 3.396 -12.672 528 HZ2 LYS 63 HZ2 LYS 63 8.460 4.771 -11.922 529 HZ3 LYS 63 HZ3 LYS 63 8.057 4.814 -13.563 530 H ASP 64 H ASP 64 3.852 10.234 -9.030 531 HA ASP 64 HA ASP 64 4.154 12.882 -10.107 532 HB2 ASP 64 HB2 ASP 64 2.826 11.972 -7.514 533 HB3 ASP 64 HB3 ASP 64 2.672 13.581 -8.217 534 H ALA 65 H ALA 65 5.047 11.460 -6.926 535 HA ALA 65 HA ALA 65 7.375 13.274 -6.738 536 HB1 ALA 65 HB1 ALA 65 5.568 14.260 -5.369 537 HB2 ALA 65 HB2 ALA 65 6.907 13.709 -4.362 538 HB3 ALA 65 HB3 ALA 65 5.428 12.754 -4.461 539 HA PRO 66 HA PRO 66 8.902 8.987 -5.734 540 HB2 PRO 66 HB2 PRO 66 11.194 9.076 -7.182 541 HB3 PRO 66 HB3 PRO 66 9.628 8.766 -7.944 542 HG2 PRO 66 HG2 PRO 66 11.202 11.334 -7.817 543 HG3 PRO 66 HG3 PRO 66 10.337 10.618 -9.194 544 HD2 PRO 66 HD2 PRO 66 9.299 12.634 -7.605 545 HD3 PRO 66 HD3 PRO 66 8.297 11.482 -8.512 546 H ASN 67 H ASN 67 8.967 10.200 -3.587 547 HA ASN 67 HA ASN 67 11.467 11.546 -2.889 548 HB2 ASN 67 HB2 ASN 67 10.337 12.051 -0.712 549 HB3 ASN 67 HB3 ASN 67 9.445 12.627 -2.109 550 HD21 ASN 67 HD21 ASN 67 8.695 11.775 0.736 551 HD22 ASN 67 HD22 ASN 67 7.348 10.724 0.517 552 H ALA 68 H ALA 68 12.362 9.180 -3.417 553 HA ALA 68 HA ALA 68 13.749 7.549 -2.735 554 HB1 ALA 68 HB1 ALA 68 14.770 9.383 -1.472 555 HB2 ALA 68 HB2 ALA 68 14.966 7.842 -0.635 556 HB3 ALA 68 HB3 ALA 68 13.756 9.001 -0.077 557 H VAL 69 H VAL 69 12.121 7.872 0.448 558 HA VAL 69 HA VAL 69 11.915 5.166 1.024 559 HB VAL 69 HB VAL 69 11.659 6.947 2.718 560 HG11 VAL 69 HG11 VAL 69 10.291 8.562 1.464 561 HG12 VAL 69 HG12 VAL 69 9.543 8.187 3.017 562 HG13 VAL 69 HG13 VAL 69 8.903 7.471 1.536 563 HG21 VAL 69 HG21 VAL 69 10.844 4.696 3.297 564 HG22 VAL 69 HG22 VAL 69 9.250 5.082 2.649 565 HG23 VAL 69 HG23 VAL 69 9.850 5.929 4.076 566 H MET 70 H MET 70 9.733 7.191 -0.854 567 HA MET 70 HA MET 70 7.400 5.677 -0.938 568 HB2 MET 70 HB2 MET 70 7.893 8.045 -1.826 569 HB3 MET 70 HB3 MET 70 8.468 7.276 -3.293 570 HG2 MET 70 HG2 MET 70 6.209 8.010 -3.643 571 HG3 MET 70 HG3 MET 70 6.187 6.246 -3.554 572 HE1 MET 70 HE1 MET 70 2.763 7.537 -1.879 573 HE2 MET 70 HE2 MET 70 3.429 6.609 -3.221 574 HE3 MET 70 HE3 MET 70 3.645 8.359 -3.167 575 H GLU 71 H GLU 71 10.401 5.199 -2.744 576 HA GLU 71 HA GLU 71 9.404 3.183 -4.557 577 HB2 GLU 71 HB2 GLU 71 11.439 4.564 -5.032 578 HB3 GLU 71 HB3 GLU 71 12.283 3.744 -3.721 579 HG2 GLU 71 HG2 GLU 71 11.974 1.572 -4.957 580 HG3 GLU 71 HG3 GLU 71 11.260 2.473 -6.290 581 H GLN 72 H GLN 72 11.140 3.128 -1.453 582 HA GLN 72 HA GLN 72 11.539 0.341 -1.173 583 HB2 GLN 72 HB2 GLN 72 12.379 2.455 0.274 584 HB3 GLN 72 HB3 GLN 72 10.985 2.075 1.263 585 HG2 GLN 72 HG2 GLN 72 13.382 0.294 0.711 586 HG3 GLN 72 HG3 GLN 72 13.001 1.109 2.217 587 HE21 GLN 72 HE21 GLN 72 11.286 0.236 3.521 588 HE22 GLN 72 HE22 GLN 72 10.742 -1.391 3.302 589 H LEU 73 H LEU 73 8.866 2.462 -0.305 590 HA LEU 73 HA LEU 73 7.166 0.614 1.005 591 HB2 LEU 73 HB2 LEU 73 6.495 3.188 -0.466 592 HB3 LEU 73 HB3 LEU 73 5.429 2.356 0.658 593 HG LEU 73 HG LEU 73 8.121 3.551 1.415 594 HD11 LEU 73 HD11 LEU 73 6.861 5.334 2.557 595 HD12 LEU 73 HD12 LEU 73 5.364 4.708 1.865 596 HD13 LEU 73 HD13 LEU 73 6.619 5.353 0.811 597 HD21 LEU 73 HD21 LEU 73 5.929 2.418 3.174 598 HD22 LEU 73 HD22 LEU 73 7.403 3.211 3.737 599 HD23 LEU 73 HD23 LEU 73 7.507 1.686 2.861 600 H LEU 74 H LEU 74 7.420 1.646 -2.407 601 HA LEU 74 HA LEU 74 5.224 0.136 -3.418 602 HB2 LEU 74 HB2 LEU 74 6.673 2.087 -4.500 603 HB3 LEU 74 HB3 LEU 74 7.676 0.783 -5.089 604 HG LEU 74 HG LEU 74 6.048 1.649 -6.784 605 HD11 LEU 74 HD11 LEU 74 5.519 -1.241 -6.072 606 HD12 LEU 74 HD12 LEU 74 6.853 -0.636 -7.056 607 HD13 LEU 74 HD13 LEU 74 5.195 -0.469 -7.628 608 HD21 LEU 74 HD21 LEU 74 4.213 2.237 -5.286 609 HD22 LEU 74 HD22 LEU 74 3.902 0.528 -4.965 610 HD23 LEU 74 HD23 LEU 74 3.658 1.185 -6.586 611 H GLU 75 H GLU 75 8.662 -0.604 -2.920 612 HA GLU 75 HA GLU 75 8.709 -3.224 -4.022 613 HB2 GLU 75 HB2 GLU 75 10.785 -2.010 -3.650 614 HB3 GLU 75 HB3 GLU 75 10.473 -1.900 -1.923 615 HG2 GLU 75 HG2 GLU 75 10.733 -4.352 -1.716 616 HG3 GLU 75 HG3 GLU 75 11.027 -4.468 -3.450 617 H GLU 76 H GLU 76 8.025 -2.018 -0.750 618 HA GLU 76 HA GLU 76 7.785 -4.393 0.686 619 HB2 GLU 76 HB2 GLU 76 6.372 -1.721 0.976 620 HB3 GLU 76 HB3 GLU 76 6.061 -3.040 2.089 621 HG2 GLU 76 HG2 GLU 76 8.759 -1.734 1.646 622 HG3 GLU 76 HG3 GLU 76 7.659 -1.394 2.980 623 H ILE 77 H ILE 77 5.362 -2.715 -1.303 624 HA ILE 77 HA ILE 77 3.222 -4.594 -0.886 625 HB ILE 77 HB ILE 77 3.567 -2.693 -3.260 626 HG12 ILE 77 HG12 ILE 77 2.115 -2.009 -0.654 627 HG13 ILE 77 HG13 ILE 77 3.783 -1.543 -0.969 628 HG21 ILE 77 HG21 ILE 77 1.052 -3.887 -2.008 629 HG22 ILE 77 HG22 ILE 77 1.756 -4.332 -3.563 630 HG23 ILE 77 HG23 ILE 77 1.076 -2.723 -3.336 631 HD11 ILE 77 HD11 ILE 77 1.399 -0.714 -2.617 632 HD12 ILE 77 HD12 ILE 77 3.073 -0.217 -2.883 633 HD13 ILE 77 HD13 ILE 77 2.229 0.271 -1.414 634 H GLU 78 H GLU 78 5.690 -4.133 -3.398 635 HA GLU 78 HA GLU 78 4.685 -5.743 -5.445 636 HB2 GLU 78 HB2 GLU 78 6.452 -4.089 -5.813 637 HB3 GLU 78 HB3 GLU 78 7.559 -4.995 -4.791 638 HG2 GLU 78 HG2 GLU 78 7.556 -6.851 -6.435 639 HG3 GLU 78 HG3 GLU 78 6.452 -5.938 -7.460 640 H LYS 79 H LYS 79 7.064 -6.603 -2.918 641 HA LYS 79 HA LYS 79 7.570 -9.247 -3.789 642 HB2 LYS 79 HB2 LYS 79 8.603 -9.595 -1.551 643 HB3 LYS 79 HB3 LYS 79 9.141 -8.112 -2.330 644 HG2 LYS 79 HG2 LYS 79 7.538 -6.826 -0.903 645 HG3 LYS 79 HG3 LYS 79 7.129 -8.330 -0.067 646 HD2 LYS 79 HD2 LYS 79 9.460 -8.563 0.698 647 HD3 LYS 79 HD3 LYS 79 9.914 -7.105 -0.190 648 HE2 LYS 79 HE2 LYS 79 8.363 -5.790 1.247 649 HE3 LYS 79 HE3 LYS 79 8.009 -7.249 2.173 650 HZ1 LYS 79 HZ1 LYS 79 10.233 -7.324 2.954 651 HZ2 LYS 79 HZ2 LYS 79 9.714 -5.724 3.152 652 HZ3 LYS 79 HZ3 LYS 79 10.739 -6.129 1.873 653 H LEU 80 H LEU 80 5.103 -7.948 -1.605 654 HA LEU 80 HA LEU 80 4.084 -10.514 -0.730 655 HB2 LEU 80 HB2 LEU 80 2.764 -7.784 -0.586 656 HB3 LEU 80 HB3 LEU 80 2.280 -9.224 0.303 657 HG LEU 80 HG LEU 80 4.834 -7.630 0.686 658 HD11 LEU 80 HD11 LEU 80 2.823 -6.578 1.599 659 HD12 LEU 80 HD12 LEU 80 3.916 -7.100 2.876 660 HD13 LEU 80 HD13 LEU 80 2.464 -8.042 2.524 661 HD21 LEU 80 HD21 LEU 80 5.346 -10.007 1.026 662 HD22 LEU 80 HD22 LEU 80 3.986 -10.161 2.142 663 HD23 LEU 80 HD23 LEU 80 5.364 -9.142 2.560 664 H LEU 81 H LEU 81 3.313 -8.247 -3.289 665 HA LEU 81 HA LEU 81 0.805 -9.346 -4.081 666 HB2 LEU 81 HB2 LEU 81 1.530 -7.026 -4.605 667 HB3 LEU 81 HB3 LEU 81 2.786 -7.655 -5.658 668 HG LEU 81 HG LEU 81 1.094 -8.527 -7.220 669 HD11 LEU 81 HD11 LEU 81 -1.301 -8.117 -6.912 670 HD12 LEU 81 HD12 LEU 81 -0.994 -7.421 -5.320 671 HD13 LEU 81 HD13 LEU 81 -0.662 -9.129 -5.621 672 HD21 LEU 81 HD21 LEU 81 1.834 -6.211 -7.561 673 HD22 LEU 81 HD22 LEU 81 0.554 -5.624 -6.497 674 HD23 LEU 81 HD23 LEU 81 0.146 -6.397 -8.030 675 H LYS 82 H LYS 82 4.142 -9.809 -5.119 676 HA LYS 82 HA LYS 82 3.749 -11.801 -7.105 677 HB2 LYS 82 HB2 LYS 82 5.850 -10.445 -6.744 678 HB3 LYS 82 HB3 LYS 82 6.156 -11.371 -5.280 679 HG2 LYS 82 HG2 LYS 82 6.206 -13.461 -6.778 680 HG3 LYS 82 HG3 LYS 82 6.228 -12.351 -8.152 681 HD2 LYS 82 HD2 LYS 82 8.301 -12.523 -5.926 682 HD3 LYS 82 HD3 LYS 82 8.518 -13.043 -7.597 683 HE2 LYS 82 HE2 LYS 82 8.028 -10.170 -6.721 684 HE3 LYS 82 HE3 LYS 82 9.605 -10.853 -7.104 685 HZ1 LYS 82 HZ1 LYS 82 8.765 -9.649 -8.972 686 HZ2 LYS 82 HZ2 LYS 82 7.326 -10.531 -8.971 687 HZ3 LYS 82 HZ3 LYS 82 8.780 -11.296 -9.360 688 H LYS 83 H LYS 83 4.344 -11.927 -3.614 689 HA LYS 83 HA LYS 83 4.577 -14.696 -3.190 690 HB2 LYS 83 HB2 LYS 83 4.755 -12.397 -1.619 691 HB3 LYS 83 HB3 LYS 83 3.319 -13.149 -0.959 692 HG2 LYS 83 HG2 LYS 83 6.040 -14.479 -1.182 693 HG3 LYS 83 HG3 LYS 83 5.425 -13.689 0.272 694 HD2 LYS 83 HD2 LYS 83 3.571 -15.347 0.365 695 HD3 LYS 83 HD3 LYS 83 4.213 -16.138 -1.078 696 HE2 LYS 83 HE2 LYS 83 6.324 -16.627 0.173 697 HE3 LYS 83 HE3 LYS 83 5.608 -15.901 1.613 698 HZ1 LYS 83 HZ1 LYS 83 4.482 -18.234 0.173 699 HZ2 LYS 83 HZ2 LYS 83 3.935 -17.591 1.633 700 HZ3 LYS 83 HZ3 LYS 83 5.447 -18.339 1.556 701 H ALA 84 H ALA 84 1.723 -12.593 -3.213 702 HA ALA 84 HA ALA 84 -0.210 -14.626 -2.534 703 HB1 ALA 84 HB1 ALA 84 -1.890 -12.886 -3.035 704 HB2 ALA 84 HB2 ALA 84 -0.632 -11.858 -3.727 705 HB3 ALA 84 HB3 ALA 84 -0.605 -12.246 -2.007 706 H GLY 85 H GLY 85 0.850 -13.047 -5.553 707 HA2 GLY 85 HA2 GLY 85 0.934 -13.939 -7.701 708 HA3 GLY 85 HA3 GLY 85 -0.028 -15.307 -7.173 709 H SER 86 H SER 86 -0.069 -12.242 -8.753 710 HA SER 86 HA SER 86 -2.949 -11.899 -8.851 711 HB2 SER 86 HB2 SER 86 -0.747 -10.617 -10.532 712 HB3 SER 86 HB3 SER 86 -2.448 -10.143 -10.567 713 HG SER 86 HG SER 86 -2.089 -8.978 -8.878 714 H LEU 87 H LEU 87 -4.283 -13.077 -10.086 715 HA LEU 87 HA LEU 87 -5.191 -14.395 -11.689 716 HB2 LEU 87 HB2 LEU 87 -4.532 -12.437 -13.115 717 HB3 LEU 87 HB3 LEU 87 -3.014 -13.233 -13.475 718 HG LEU 87 HG LEU 87 -4.233 -15.022 -14.705 719 HD11 LEU 87 HD11 LEU 87 -6.347 -15.032 -13.501 720 HD12 LEU 87 HD12 LEU 87 -6.634 -14.785 -15.220 721 HD13 LEU 87 HD13 LEU 87 -6.737 -13.419 -14.106 722 HD21 LEU 87 HD21 LEU 87 -4.900 -13.699 -16.658 723 HD22 LEU 87 HD22 LEU 87 -3.416 -13.067 -15.953 724 HD23 LEU 87 HD23 LEU 87 -4.946 -12.232 -15.675 725 H VAL 88 H VAL 88 -2.697 -15.341 -10.100 726 HA VAL 88 HA VAL 88 -1.140 -16.958 -9.924 727 HB VAL 88 HB VAL 88 -2.873 -18.554 -11.859 728 HG11 VAL 88 HG11 VAL 88 -0.881 -19.529 -9.774 729 HG12 VAL 88 HG12 VAL 88 -0.665 -19.587 -11.523 730 HG13 VAL 88 HG13 VAL 88 -1.920 -20.564 -10.761 731 HG21 VAL 88 HG21 VAL 88 -3.074 -18.396 -8.828 732 HG22 VAL 88 HG22 VAL 88 -3.997 -19.492 -9.859 733 HG23 VAL 88 HG23 VAL 88 -4.241 -17.749 -9.985 734 HA PRO 89 HA PRO 89 1.204 -15.294 -13.491 735 HB2 PRO 89 HB2 PRO 89 3.754 -15.903 -12.504 736 HB3 PRO 89 HB3 PRO 89 2.833 -14.448 -12.111 737 HG2 PRO 89 HG2 PRO 89 3.084 -17.013 -10.557 738 HG3 PRO 89 HG3 PRO 89 3.112 -15.338 -9.966 739 HD2 PRO 89 HD2 PRO 89 0.911 -16.863 -9.716 740 HD3 PRO 89 HD3 PRO 89 0.773 -15.129 -10.087 741 H ARG 90 H ARG 90 2.179 -18.515 -12.191 742 HA ARG 90 HA ARG 90 2.609 -19.484 -14.977 743 HB2 ARG 90 HB2 ARG 90 4.212 -20.279 -12.510 744 HB3 ARG 90 HB3 ARG 90 4.444 -20.920 -14.132 745 HG2 ARG 90 HG2 ARG 90 5.222 -18.750 -14.926 746 HG3 ARG 90 HG3 ARG 90 4.873 -18.013 -13.360 747 HD2 ARG 90 HD2 ARG 90 6.930 -20.191 -13.888 748 HD3 ARG 90 HD3 ARG 90 7.281 -18.481 -13.612 749 HE ARG 90 HE ARG 90 5.870 -19.251 -11.392 750 HH11 ARG 90 HH11 ARG 90 8.797 -20.411 -12.855 751 HH12 ARG 90 HH12 ARG 90 9.468 -20.903 -11.340 752 HH21 ARG 90 HH21 ARG 90 6.767 -19.890 -9.494 753 HH22 ARG 90 HH22 ARG 90 8.340 -20.603 -9.473 754 H GLY 91 H GLY 91 2.328 -21.824 -15.286 755 HA2 GLY 91 HA2 GLY 91 1.754 -24.007 -14.619 756 HA3 GLY 91 HA3 GLY 91 1.093 -23.386 -13.122 757 H SER 92 H SER 92 0.171 -22.084 -16.284 758 HA SER 92 HA SER 92 -2.411 -23.563 -16.174 759 HB2 SER 92 HB2 SER 92 -3.581 -21.552 -17.045 760 HB3 SER 92 HB3 SER 92 -2.832 -21.236 -15.484 761 HG SER 92 HG SER 92 -2.546 -19.589 -17.165 762 H TYR 93 H TYR 93 -0.701 -21.398 -18.494 763 HA TYR 93 HA TYR 93 -1.350 -23.321 -20.659 764 HB2 TYR 93 HB2 TYR 93 -2.180 -20.680 -20.475 765 HB3 TYR 93 HB3 TYR 93 -0.727 -20.500 -21.441 766 HD1 TYR 93 HD1 TYR 93 -0.545 -21.993 -23.606 767 HD2 TYR 93 HD2 TYR 93 -4.220 -21.340 -21.510 768 HE1 TYR 93 HE1 TYR 93 -1.816 -22.667 -25.604 769 HE2 TYR 93 HE2 TYR 93 -5.478 -22.011 -23.510 770 HH TYR 93 HH TYR 93 -4.065 -23.580 -26.145 771 H LEU 94 H LEU 94 0.515 -24.551 -20.544 772 HA LEU 94 HA LEU 94 3.166 -23.346 -20.683 773 HB2 LEU 94 HB2 LEU 94 2.776 -25.381 -19.313 774 HB3 LEU 94 HB3 LEU 94 2.304 -26.268 -20.752 775 HG LEU 94 HG LEU 94 4.634 -25.955 -21.666 776 HD11 LEU 94 HD11 LEU 94 6.440 -25.223 -20.148 777 HD12 LEU 94 HD12 LEU 94 5.242 -24.788 -18.928 778 HD13 LEU 94 HD13 LEU 94 5.289 -23.927 -20.469 779 HD21 LEU 94 HD21 LEU 94 4.034 -28.047 -20.520 780 HD22 LEU 94 HD22 LEU 94 4.510 -27.349 -18.970 781 HD23 LEU 94 HD23 LEU 94 5.719 -27.625 -20.226 782 H GLU 95 H GLU 95 3.843 -22.581 -22.599 783 HA GLU 95 HA GLU 95 2.938 -23.500 -25.172 784 HB2 GLU 95 HB2 GLU 95 3.594 -21.159 -24.820 785 HB3 GLU 95 HB3 GLU 95 5.226 -21.646 -24.382 786 HG2 GLU 95 HG2 GLU 95 5.545 -22.520 -26.711 787 HG3 GLU 95 HG3 GLU 95 3.943 -21.908 -27.123 788 H HIS 96 H HIS 96 3.502 -25.530 -25.783 789 HA HIS 96 HA HIS 96 6.326 -26.374 -25.815 790 HB2 HIS 96 HB2 HIS 96 5.330 -27.187 -23.649 791 HB3 HIS 96 HB3 HIS 96 4.106 -28.060 -24.561 792 HD1 HIS 96 HD1 HIS 96 5.039 -30.048 -26.106 793 HD2 HIS 96 HD2 HIS 96 7.667 -28.601 -23.236 794 HE1 HIS 96 HE1 HIS 96 6.825 -31.787 -25.900 795 HE2 HIS 96 HE2 HIS 96 8.497 -30.802 -24.308 796 H HIS 97 H HIS 97 6.391 -26.363 -28.042 797 HA HIS 97 HA HIS 97 4.839 -28.340 -29.567 798 HB2 HIS 97 HB2 HIS 97 3.470 -26.205 -29.449 799 HB3 HIS 97 HB3 HIS 97 4.777 -25.364 -30.262 800 HD1 HIS 97 HD1 HIS 97 4.392 -25.107 -32.708 801 HD2 HIS 97 HD2 HIS 97 2.448 -28.460 -31.209 802 HE1 HIS 97 HE1 HIS 97 3.065 -26.032 -34.626 803 HE2 HIS 97 HE2 HIS 97 2.030 -28.140 -33.734 804 H HIS 98 H HIS 98 7.677 -27.827 -28.800 805 HA HIS 98 HA HIS 98 8.982 -27.540 -31.461 806 HB2 HIS 98 HB2 HIS 98 9.454 -25.648 -29.904 807 HB3 HIS 98 HB3 HIS 98 10.082 -26.777 -28.714 808 HD1 HIS 98 HD1 HIS 98 10.901 -25.198 -32.017 809 HD2 HIS 98 HD2 HIS 98 12.738 -27.584 -29.155 810 HE1 HIS 98 HE1 HIS 98 13.334 -25.201 -32.616 811 HE2 HIS 98 HE2 HIS 98 14.436 -26.538 -30.799 812 H HIS 99 H HIS 99 10.353 -29.159 -32.084 813 HA HIS 99 HA HIS 99 10.942 -31.385 -30.201 814 HB2 HIS 99 HB2 HIS 99 10.174 -31.447 -33.141 815 HB3 HIS 99 HB3 HIS 99 11.069 -32.782 -32.425 816 HD1 HIS 99 HD1 HIS 99 9.569 -34.634 -31.796 817 HD2 HIS 99 HD2 HIS 99 7.676 -30.958 -31.392 818 HE1 HIS 99 HE1 HIS 99 7.264 -35.154 -30.971 819 HE2 HIS 99 HE2 HIS 99 6.168 -32.918 -30.648 820 H HIS 100 H HIS 100 13.008 -32.040 -29.987 821 HA HIS 100 HA HIS 100 15.192 -30.932 -31.566 822 HB2 HIS 100 HB2 HIS 100 15.444 -31.344 -29.121 823 HB3 HIS 100 HB3 HIS 100 15.183 -33.064 -29.380 824 HD1 HIS 100 HD1 HIS 100 17.183 -34.436 -30.294 825 HD2 HIS 100 HD2 HIS 100 18.008 -30.387 -29.864 826 HE1 HIS 100 HE1 HIS 100 19.669 -34.227 -30.547 827 HE2 HIS 100 HE2 HIS 100 20.150 -31.784 -30.223 828 H HIS 101 H HIS 101 13.269 -33.858 -31.372 829 HA HIS 101 HA HIS 101 14.448 -34.856 -33.903 830 HB2 HIS 101 HB2 HIS 101 15.051 -36.405 -32.078 831 HB3 HIS 101 HB3 HIS 101 13.369 -36.521 -31.575 832 HD1 HIS 101 HD1 HIS 101 15.640 -37.530 -34.439 833 HD2 HIS 101 HD2 HIS 101 11.887 -38.458 -32.905 834 HE1 HIS 101 HE1 HIS 101 14.862 -39.524 -35.733 835 HE2 HIS 101 HE2 HIS 101 12.526 -39.946 -34.920 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -10.612 -19.986 7.668 2 H2 MET 1 H2 MET 1 -9.670 -19.998 9.064 3 H3 MET 1 H3 MET 1 -9.499 -21.236 7.928 4 HA MET 1 HA MET 1 -8.687 -19.674 6.292 5 HB2 MET 1 HB2 MET 1 -9.921 -17.696 7.194 6 HB3 MET 1 HB3 MET 1 -8.837 -17.650 8.578 7 HG2 MET 1 HG2 MET 1 -6.951 -17.122 7.114 8 HG3 MET 1 HG3 MET 1 -7.989 -17.271 5.695 9 HE1 MET 1 HE1 MET 1 -7.517 -15.001 4.674 10 HE2 MET 1 HE2 MET 1 -6.289 -14.688 5.902 11 HE3 MET 1 HE3 MET 1 -7.523 -13.477 5.552 12 H GLN 2 H GLN 2 -6.533 -19.994 5.995 13 HA GLN 2 HA GLN 2 -4.916 -21.248 7.944 14 HB2 GLN 2 HB2 GLN 2 -4.604 -21.601 5.522 15 HB3 GLN 2 HB3 GLN 2 -4.122 -19.924 5.312 16 HG2 GLN 2 HG2 GLN 2 -2.100 -20.332 6.675 17 HG3 GLN 2 HG3 GLN 2 -2.588 -22.010 6.899 18 HE21 GLN 2 HE21 GLN 2 -2.898 -20.278 3.823 19 HE22 GLN 2 HE22 GLN 2 -1.692 -21.186 2.996 20 H GLU 3 H GLU 3 -3.178 -20.544 9.152 21 HA GLU 3 HA GLU 3 -3.141 -18.063 10.379 22 HB2 GLU 3 HB2 GLU 3 -2.164 -20.124 11.306 23 HB3 GLU 3 HB3 GLU 3 -0.912 -20.117 10.080 24 HG2 GLU 3 HG2 GLU 3 -1.101 -17.783 11.978 25 HG3 GLU 3 HG3 GLU 3 -0.428 -19.300 12.558 26 H GLU 4 H GLU 4 -0.742 -19.197 7.938 27 HA GLU 4 HA GLU 4 0.638 -16.832 7.465 28 HB2 GLU 4 HB2 GLU 4 0.006 -19.118 5.565 29 HB3 GLU 4 HB3 GLU 4 1.175 -17.849 5.195 30 HG2 GLU 4 HG2 GLU 4 2.606 -18.536 7.017 31 HG3 GLU 4 HG3 GLU 4 1.383 -19.652 7.626 32 H ARG 5 H ARG 5 -2.432 -17.872 6.008 33 HA ARG 5 HA ARG 5 -2.650 -15.910 3.974 34 HB2 ARG 5 HB2 ARG 5 -4.142 -18.147 4.805 35 HB3 ARG 5 HB3 ARG 5 -5.245 -16.825 5.122 36 HG2 ARG 5 HG2 ARG 5 -3.935 -17.289 2.422 37 HG3 ARG 5 HG3 ARG 5 -5.481 -17.991 2.882 38 HD2 ARG 5 HD2 ARG 5 -6.023 -16.078 1.601 39 HD3 ARG 5 HD3 ARG 5 -6.298 -15.595 3.277 40 HE ARG 5 HE ARG 5 -3.710 -14.829 2.670 41 HH11 ARG 5 HH11 ARG 5 -6.864 -14.030 1.478 42 HH12 ARG 5 HH12 ARG 5 -6.374 -12.460 0.959 43 HH21 ARG 5 HH21 ARG 5 -3.119 -12.823 2.014 44 HH22 ARG 5 HH22 ARG 5 -4.277 -11.780 1.271 45 H LYS 6 H LYS 6 -3.731 -15.953 7.356 46 HA LYS 6 HA LYS 6 -4.947 -13.360 7.413 47 HB2 LYS 6 HB2 LYS 6 -5.596 -15.073 9.023 48 HB3 LYS 6 HB3 LYS 6 -3.950 -15.214 9.614 49 HG2 LYS 6 HG2 LYS 6 -5.300 -14.021 11.238 50 HG3 LYS 6 HG3 LYS 6 -4.089 -12.934 10.566 51 HD2 LYS 6 HD2 LYS 6 -6.183 -11.732 10.777 52 HD3 LYS 6 HD3 LYS 6 -5.840 -11.963 9.064 53 HE2 LYS 6 HE2 LYS 6 -7.465 -13.795 8.956 54 HE3 LYS 6 HE3 LYS 6 -7.755 -13.670 10.695 55 HZ1 LYS 6 HZ1 LYS 6 -8.308 -11.506 8.727 56 HZ2 LYS 6 HZ2 LYS 6 -8.666 -11.474 10.377 57 HZ3 LYS 6 HZ3 LYS 6 -9.474 -12.555 9.364 58 H LYS 7 H LYS 7 -1.630 -14.500 7.981 59 HA LYS 7 HA LYS 7 -0.739 -12.096 9.300 60 HB2 LYS 7 HB2 LYS 7 0.981 -14.308 8.116 61 HB3 LYS 7 HB3 LYS 7 1.511 -13.062 9.243 62 HG2 LYS 7 HG2 LYS 7 -0.214 -15.475 9.759 63 HG3 LYS 7 HG3 LYS 7 1.232 -14.943 10.613 64 HD2 LYS 7 HD2 LYS 7 -0.070 -13.048 11.583 65 HD3 LYS 7 HD3 LYS 7 -1.511 -13.616 10.740 66 HE2 LYS 7 HE2 LYS 7 -1.632 -14.342 13.035 67 HE3 LYS 7 HE3 LYS 7 -1.353 -15.759 12.021 68 HZ1 LYS 7 HZ1 LYS 7 0.949 -15.745 12.634 69 HZ2 LYS 7 HZ2 LYS 7 0.018 -15.714 14.045 70 HZ3 LYS 7 HZ3 LYS 7 0.769 -14.303 13.497 71 H LEU 8 H LEU 8 -0.670 -13.226 5.942 72 HA LEU 8 HA LEU 8 0.785 -11.040 4.887 73 HB2 LEU 8 HB2 LEU 8 -1.052 -13.091 3.728 74 HB3 LEU 8 HB3 LEU 8 -0.874 -11.620 2.790 75 HG LEU 8 HG LEU 8 0.691 -13.293 1.971 76 HD11 LEU 8 HD11 LEU 8 1.421 -10.967 1.852 77 HD12 LEU 8 HD12 LEU 8 2.801 -12.029 2.116 78 HD13 LEU 8 HD13 LEU 8 2.152 -11.083 3.456 79 HD21 LEU 8 HD21 LEU 8 0.944 -14.677 3.982 80 HD22 LEU 8 HD22 LEU 8 1.866 -13.397 4.774 81 HD23 LEU 8 HD23 LEU 8 2.520 -14.206 3.348 82 H LEU 9 H LEU 9 -2.568 -11.248 5.970 83 HA LEU 9 HA LEU 9 -3.390 -8.711 4.910 84 HB2 LEU 9 HB2 LEU 9 -4.481 -10.072 7.397 85 HB3 LEU 9 HB3 LEU 9 -5.263 -8.815 6.453 86 HG LEU 9 HG LEU 9 -4.830 -11.717 5.665 87 HD11 LEU 9 HD11 LEU 9 -7.356 -10.079 6.031 88 HD12 LEU 9 HD12 LEU 9 -6.750 -11.330 7.121 89 HD13 LEU 9 HD13 LEU 9 -7.291 -11.761 5.500 90 HD21 LEU 9 HD21 LEU 9 -5.920 -11.221 3.501 91 HD22 LEU 9 HD22 LEU 9 -4.373 -10.395 3.654 92 HD23 LEU 9 HD23 LEU 9 -5.875 -9.495 3.873 93 H GLU 10 H GLU 10 -1.701 -9.683 7.873 94 HA GLU 10 HA GLU 10 -1.549 -7.073 9.058 95 HB2 GLU 10 HB2 GLU 10 0.259 -9.493 9.467 96 HB3 GLU 10 HB3 GLU 10 0.338 -8.012 10.415 97 HG2 GLU 10 HG2 GLU 10 -2.092 -8.467 11.084 98 HG3 GLU 10 HG3 GLU 10 -1.883 -10.068 10.372 99 H LYS 11 H LYS 11 0.346 -8.783 6.633 100 HA LYS 11 HA LYS 11 2.585 -7.053 6.472 101 HB2 LYS 11 HB2 LYS 11 2.533 -9.305 5.462 102 HB3 LYS 11 HB3 LYS 11 1.290 -8.796 4.338 103 HG2 LYS 11 HG2 LYS 11 3.144 -8.751 2.982 104 HG3 LYS 11 HG3 LYS 11 3.107 -7.077 3.517 105 HD2 LYS 11 HD2 LYS 11 4.817 -9.179 4.882 106 HD3 LYS 11 HD3 LYS 11 5.377 -8.289 3.472 107 HE2 LYS 11 HE2 LYS 11 5.056 -6.162 4.750 108 HE3 LYS 11 HE3 LYS 11 4.649 -7.119 6.177 109 HZ1 LYS 11 HZ1 LYS 11 7.220 -7.266 4.688 110 HZ2 LYS 11 HZ2 LYS 11 6.838 -8.130 6.089 111 HZ3 LYS 11 HZ3 LYS 11 6.992 -6.447 6.149 112 H LEU 12 H LEU 12 -0.661 -6.873 4.962 113 HA LEU 12 HA LEU 12 -0.363 -4.478 3.500 114 HB2 LEU 12 HB2 LEU 12 -2.739 -5.704 4.928 115 HB3 LEU 12 HB3 LEU 12 -2.880 -4.078 4.291 116 HG LEU 12 HG LEU 12 -3.859 -5.629 2.727 117 HD11 LEU 12 HD11 LEU 12 -2.669 -5.041 0.680 118 HD12 LEU 12 HD12 LEU 12 -1.234 -4.604 1.606 119 HD13 LEU 12 HD13 LEU 12 -2.719 -3.667 1.783 120 HD21 LEU 12 HD21 LEU 12 -2.658 -7.673 3.358 121 HD22 LEU 12 HD22 LEU 12 -1.191 -7.059 2.590 122 HD23 LEU 12 HD23 LEU 12 -2.618 -7.409 1.617 123 H GLU 13 H GLU 13 -1.435 -4.899 6.882 124 HA GLU 13 HA GLU 13 -1.664 -2.182 7.576 125 HB2 GLU 13 HB2 GLU 13 -1.093 -4.546 9.413 126 HB3 GLU 13 HB3 GLU 13 -1.751 -2.987 9.911 127 HG2 GLU 13 HG2 GLU 13 -3.791 -3.392 8.599 128 HG3 GLU 13 HG3 GLU 13 -3.133 -4.918 8.011 129 H LYS 14 H LYS 14 1.129 -4.289 7.525 130 HA LYS 14 HA LYS 14 2.919 -2.667 9.078 131 HB2 LYS 14 HB2 LYS 14 2.993 -5.226 8.515 132 HB3 LYS 14 HB3 LYS 14 3.747 -4.748 7.010 133 HG2 LYS 14 HG2 LYS 14 5.010 -3.772 9.559 134 HG3 LYS 14 HG3 LYS 14 5.130 -5.487 9.209 135 HD2 LYS 14 HD2 LYS 14 7.103 -4.769 8.244 136 HD3 LYS 14 HD3 LYS 14 6.041 -4.618 6.849 137 HE2 LYS 14 HE2 LYS 14 7.506 -2.652 7.080 138 HE3 LYS 14 HE3 LYS 14 5.816 -2.197 7.286 139 HZ1 LYS 14 HZ1 LYS 14 7.206 -1.135 8.930 140 HZ2 LYS 14 HZ2 LYS 14 7.775 -2.632 9.474 141 HZ3 LYS 14 HZ3 LYS 14 6.150 -2.217 9.687 142 H ILE 15 H ILE 15 2.655 -3.303 5.535 143 HA ILE 15 HA ILE 15 4.714 -1.475 4.755 144 HB ILE 15 HB ILE 15 2.553 -2.913 3.152 145 HG12 ILE 15 HG12 ILE 15 5.559 -3.429 3.419 146 HG13 ILE 15 HG13 ILE 15 4.288 -4.349 4.215 147 HG21 ILE 15 HG21 ILE 15 3.150 -0.892 1.877 148 HG22 ILE 15 HG22 ILE 15 3.777 -2.326 1.070 149 HG23 ILE 15 HG23 ILE 15 4.866 -1.293 1.997 150 HD11 ILE 15 HD11 ILE 15 3.493 -5.132 2.043 151 HD12 ILE 15 HD12 ILE 15 5.186 -5.538 2.314 152 HD13 ILE 15 HD13 ILE 15 4.764 -4.204 1.241 153 H LEU 16 H LEU 16 1.159 -1.293 4.503 154 HA LEU 16 HA LEU 16 0.949 1.213 3.252 155 HB2 LEU 16 HB2 LEU 16 -0.968 -0.437 4.916 156 HB3 LEU 16 HB3 LEU 16 -1.443 1.151 4.339 157 HG LEU 16 HG LEU 16 -1.328 0.444 2.017 158 HD11 LEU 16 HD11 LEU 16 -0.267 -2.241 2.942 159 HD12 LEU 16 HD12 LEU 16 0.637 -1.012 2.055 160 HD13 LEU 16 HD13 LEU 16 -0.726 -1.822 1.289 161 HD21 LEU 16 HD21 LEU 16 -3.403 -0.110 3.204 162 HD22 LEU 16 HD22 LEU 16 -2.753 -1.693 3.636 163 HD23 LEU 16 HD23 LEU 16 -3.060 -1.293 1.944 164 H ASP 17 H ASP 17 1.370 0.395 6.646 165 HA ASP 17 HA ASP 17 0.822 2.921 7.831 166 HB2 ASP 17 HB2 ASP 17 0.991 0.823 9.124 167 HB3 ASP 17 HB3 ASP 17 2.698 0.688 8.724 168 H GLU 18 H GLU 18 3.818 1.494 6.529 169 HA GLU 18 HA GLU 18 5.607 3.625 7.089 170 HB2 GLU 18 HB2 GLU 18 5.784 1.778 4.678 171 HB3 GLU 18 HB3 GLU 18 7.110 2.590 5.492 172 HG2 GLU 18 HG2 GLU 18 5.448 0.340 6.641 173 HG3 GLU 18 HG3 GLU 18 7.035 0.160 5.906 174 H VAL 19 H VAL 19 3.360 3.012 4.452 175 HA VAL 19 HA VAL 19 4.300 5.010 2.624 176 HB VAL 19 HB VAL 19 1.567 3.640 2.681 177 HG11 VAL 19 HG11 VAL 19 1.601 5.615 1.232 178 HG12 VAL 19 HG12 VAL 19 1.498 4.148 0.263 179 HG13 VAL 19 HG13 VAL 19 3.034 5.011 0.397 180 HG21 VAL 19 HG21 VAL 19 4.078 2.774 1.194 181 HG22 VAL 19 HG22 VAL 19 2.490 2.009 1.087 182 HG23 VAL 19 HG23 VAL 19 3.385 1.970 2.603 183 H THR 20 H THR 20 1.672 4.968 5.083 184 HA THR 20 HA THR 20 0.374 7.387 4.356 185 HB THR 20 HB THR 20 -0.516 7.451 6.717 186 HG1 THR 20 HG1 THR 20 0.197 5.172 7.724 187 HG21 THR 20 HG21 THR 20 -0.675 4.714 5.407 188 HG22 THR 20 HG22 THR 20 -1.698 6.101 5.034 189 HG23 THR 20 HG23 THR 20 -1.789 5.341 6.623 190 H ASP 21 H ASP 21 2.811 6.806 6.909 191 HA ASP 21 HA ASP 21 3.200 9.593 7.495 192 HB2 ASP 21 HB2 ASP 21 3.505 7.705 9.133 193 HB3 ASP 21 HB3 ASP 21 4.949 7.210 8.259 194 H GLY 22 H GLY 22 4.765 7.267 5.345 195 HA2 GLY 22 HA2 GLY 22 7.006 9.029 4.654 196 HA3 GLY 22 HA3 GLY 22 6.705 7.414 4.041 197 H ALA 23 H ALA 23 3.898 9.222 3.772 198 HA ALA 23 HA ALA 23 3.843 9.380 0.965 199 HB1 ALA 23 HB1 ALA 23 2.158 10.898 2.980 200 HB2 ALA 23 HB2 ALA 23 1.830 9.272 2.382 201 HB3 ALA 23 HB3 ALA 23 1.757 10.649 1.279 202 HA PRO 24 HA PRO 24 5.827 13.263 -0.383 203 HB2 PRO 24 HB2 PRO 24 3.116 13.701 -1.669 204 HB3 PRO 24 HB3 PRO 24 4.730 13.964 -2.352 205 HG2 PRO 24 HG2 PRO 24 3.363 11.761 -2.980 206 HG3 PRO 24 HG3 PRO 24 5.110 11.658 -2.660 207 HD2 PRO 24 HD2 PRO 24 2.809 10.809 -0.928 208 HD3 PRO 24 HD3 PRO 24 4.438 10.112 -1.065 209 H ASP 25 H ASP 25 2.365 14.169 -0.024 210 HA ASP 25 HA ASP 25 2.567 15.433 2.507 211 HB2 ASP 25 HB2 ASP 25 3.870 17.125 1.198 212 HB3 ASP 25 HB3 ASP 25 2.502 17.336 0.114 213 H GLU 26 H GLU 26 0.848 16.385 -0.486 214 HA GLU 26 HA GLU 26 -1.774 15.991 0.768 215 HB2 GLU 26 HB2 GLU 26 -1.149 18.068 -0.587 216 HB3 GLU 26 HB3 GLU 26 -1.143 17.048 -2.022 217 HG2 GLU 26 HG2 GLU 26 -3.543 16.488 -1.577 218 HG3 GLU 26 HG3 GLU 26 -3.527 17.617 -0.226 219 H ALA 27 H ALA 27 -0.053 13.689 0.087 220 HA ALA 27 HA ALA 27 -1.955 12.161 -1.591 221 HB1 ALA 27 HB1 ALA 27 -0.134 10.568 -1.993 222 HB2 ALA 27 HB2 ALA 27 0.951 11.533 -0.986 223 HB3 ALA 27 HB3 ALA 27 0.328 12.197 -2.496 224 H ARG 28 H ARG 28 -0.838 12.694 1.596 225 HA ARG 28 HA ARG 28 -0.797 10.084 2.660 226 HB2 ARG 28 HB2 ARG 28 0.363 11.825 3.848 227 HB3 ARG 28 HB3 ARG 28 -1.107 12.781 4.023 228 HG2 ARG 28 HG2 ARG 28 -2.050 11.148 5.563 229 HG3 ARG 28 HG3 ARG 28 -0.683 10.063 5.319 230 HD2 ARG 28 HD2 ARG 28 0.800 11.534 6.495 231 HD3 ARG 28 HD3 ARG 28 -0.392 12.842 6.501 232 HE ARG 28 HE ARG 28 -1.785 11.318 7.929 233 HH11 ARG 28 HH11 ARG 28 1.674 11.022 8.013 234 HH12 ARG 28 HH12 ARG 28 1.667 10.386 9.620 235 HH21 ARG 28 HH21 ARG 28 -1.746 10.503 9.954 236 HH22 ARG 28 HH22 ARG 28 -0.241 10.091 10.702 237 H GLU 29 H GLU 29 -3.455 12.513 2.670 238 HA GLU 29 HA GLU 29 -5.257 11.035 4.270 239 HB2 GLU 29 HB2 GLU 29 -6.982 12.560 3.600 240 HB3 GLU 29 HB3 GLU 29 -5.504 13.486 3.773 241 HG2 GLU 29 HG2 GLU 29 -6.677 12.575 1.126 242 HG3 GLU 29 HG3 GLU 29 -6.936 14.157 1.843 243 H ARG 30 H ARG 30 -4.668 10.974 0.778 244 HA ARG 30 HA ARG 30 -6.773 9.273 -0.045 245 HB2 ARG 30 HB2 ARG 30 -3.945 9.507 -1.187 246 HB3 ARG 30 HB3 ARG 30 -5.294 8.714 -1.996 247 HG2 ARG 30 HG2 ARG 30 -5.090 11.661 -1.323 248 HG3 ARG 30 HG3 ARG 30 -4.933 10.934 -2.925 249 HD2 ARG 30 HD2 ARG 30 -7.271 10.139 -2.779 250 HD3 ARG 30 HD3 ARG 30 -7.422 10.892 -1.188 251 HE ARG 30 HE ARG 30 -6.588 12.820 -3.067 252 HH11 ARG 30 HH11 ARG 30 -9.454 11.085 -2.159 253 HH12 ARG 30 HH12 ARG 30 -10.501 12.276 -2.843 254 HH21 ARG 30 HH21 ARG 30 -7.956 14.317 -3.912 255 HH22 ARG 30 HH22 ARG 30 -9.665 14.081 -3.815 256 H ILE 31 H ILE 31 -3.516 8.608 1.110 257 HA ILE 31 HA ILE 31 -3.593 5.783 0.719 258 HB ILE 31 HB ILE 31 -1.686 7.475 2.406 259 HG12 ILE 31 HG12 ILE 31 -1.214 6.373 -0.412 260 HG13 ILE 31 HG13 ILE 31 -1.844 7.988 -0.116 261 HG21 ILE 31 HG21 ILE 31 -1.317 4.617 1.401 262 HG22 ILE 31 HG22 ILE 31 -1.601 5.093 3.075 263 HG23 ILE 31 HG23 ILE 31 -0.110 5.572 2.271 264 HD11 ILE 31 HD11 ILE 31 0.201 8.618 1.008 265 HD12 ILE 31 HD12 ILE 31 0.544 7.980 -0.600 266 HD13 ILE 31 HD13 ILE 31 0.836 6.981 0.822 267 H GLU 32 H GLU 32 -4.191 7.880 3.543 268 HA GLU 32 HA GLU 32 -4.372 5.833 5.514 269 HB2 GLU 32 HB2 GLU 32 -5.526 8.658 5.488 270 HB3 GLU 32 HB3 GLU 32 -5.562 7.597 6.894 271 HG2 GLU 32 HG2 GLU 32 -3.037 7.524 6.812 272 HG3 GLU 32 HG3 GLU 32 -3.101 8.739 5.540 273 H LYS 33 H LYS 33 -6.815 7.503 3.531 274 HA LYS 33 HA LYS 33 -9.101 6.150 4.569 275 HB2 LYS 33 HB2 LYS 33 -9.307 8.297 3.425 276 HB3 LYS 33 HB3 LYS 33 -8.666 7.616 1.934 277 HG2 LYS 33 HG2 LYS 33 -10.664 6.182 1.718 278 HG3 LYS 33 HG3 LYS 33 -11.309 6.834 3.230 279 HD2 LYS 33 HD2 LYS 33 -11.478 9.070 2.235 280 HD3 LYS 33 HD3 LYS 33 -10.710 8.502 0.749 281 HE2 LYS 33 HE2 LYS 33 -12.624 7.001 0.334 282 HE3 LYS 33 HE3 LYS 33 -13.391 7.561 1.822 283 HZ1 LYS 33 HZ1 LYS 33 -12.734 9.281 -0.507 284 HZ2 LYS 33 HZ2 LYS 33 -13.540 9.766 0.898 285 HZ3 LYS 33 HZ3 LYS 33 -14.267 8.660 -0.153 286 H LEU 34 H LEU 34 -6.981 5.528 1.772 287 HA LEU 34 HA LEU 34 -8.468 3.331 0.719 288 HB2 LEU 34 HB2 LEU 34 -6.849 4.712 -0.607 289 HB3 LEU 34 HB3 LEU 34 -5.528 3.967 0.279 290 HG LEU 34 HG LEU 34 -6.144 1.741 -0.679 291 HD11 LEU 34 HD11 LEU 34 -7.792 1.574 -2.516 292 HD12 LEU 34 HD12 LEU 34 -8.248 3.260 -2.265 293 HD13 LEU 34 HD13 LEU 34 -8.553 2.066 -1.003 294 HD21 LEU 34 HD21 LEU 34 -4.462 3.118 -1.842 295 HD22 LEU 34 HD22 LEU 34 -5.730 3.882 -2.803 296 HD23 LEU 34 HD23 LEU 34 -5.396 2.159 -2.989 297 H ALA 35 H ALA 35 -5.687 3.529 2.930 298 HA ALA 35 HA ALA 35 -5.170 0.762 3.255 299 HB1 ALA 35 HB1 ALA 35 -4.677 3.017 5.232 300 HB2 ALA 35 HB2 ALA 35 -3.568 2.494 3.964 301 HB3 ALA 35 HB3 ALA 35 -3.953 1.407 5.299 302 H LYS 36 H LYS 36 -7.250 3.017 5.054 303 HA LYS 36 HA LYS 36 -8.383 1.276 6.949 304 HB2 LYS 36 HB2 LYS 36 -8.660 3.724 7.030 305 HB3 LYS 36 HB3 LYS 36 -9.595 3.693 5.538 306 HG2 LYS 36 HG2 LYS 36 -11.342 2.324 6.729 307 HG3 LYS 36 HG3 LYS 36 -10.429 2.541 8.226 308 HD2 LYS 36 HD2 LYS 36 -10.720 4.992 8.054 309 HD3 LYS 36 HD3 LYS 36 -11.594 4.788 6.534 310 HE2 LYS 36 HE2 LYS 36 -13.351 3.505 7.743 311 HE3 LYS 36 HE3 LYS 36 -12.492 3.788 9.259 312 HZ1 LYS 36 HZ1 LYS 36 -14.267 5.371 8.996 313 HZ2 LYS 36 HZ2 LYS 36 -13.677 5.870 7.497 314 HZ3 LYS 36 HZ3 LYS 36 -12.789 6.185 8.901 315 H ASP 37 H ASP 37 -9.289 1.980 3.591 316 HA ASP 37 HA ASP 37 -11.704 0.489 3.521 317 HB2 ASP 37 HB2 ASP 37 -10.794 2.362 1.916 318 HB3 ASP 37 HB3 ASP 37 -9.997 1.046 1.067 319 H VAL 38 H VAL 38 -8.331 -0.338 2.703 320 HA VAL 38 HA VAL 38 -8.661 -2.998 1.837 321 HB VAL 38 HB VAL 38 -6.311 -1.827 3.425 322 HG11 VAL 38 HG11 VAL 38 -6.269 -4.281 3.509 323 HG12 VAL 38 HG12 VAL 38 -4.955 -3.682 2.498 324 HG13 VAL 38 HG13 VAL 38 -6.401 -4.368 1.751 325 HG21 VAL 38 HG21 VAL 38 -6.627 -2.121 0.410 326 HG22 VAL 38 HG22 VAL 38 -5.179 -1.548 1.242 327 HG23 VAL 38 HG23 VAL 38 -6.667 -0.610 1.316 328 H LYS 39 H LYS 39 -8.395 -1.613 5.112 329 HA LYS 39 HA LYS 39 -8.344 -4.029 6.594 330 HB2 LYS 39 HB2 LYS 39 -9.240 -1.247 7.414 331 HB3 LYS 39 HB3 LYS 39 -9.005 -2.583 8.540 332 HG2 LYS 39 HG2 LYS 39 -6.636 -2.658 8.090 333 HG3 LYS 39 HG3 LYS 39 -6.798 -1.518 6.750 334 HD2 LYS 39 HD2 LYS 39 -7.494 0.251 8.362 335 HD3 LYS 39 HD3 LYS 39 -7.286 -0.894 9.690 336 HE2 LYS 39 HE2 LYS 39 -4.887 -1.072 9.185 337 HE3 LYS 39 HE3 LYS 39 -5.078 0.023 7.812 338 HZ1 LYS 39 HZ1 LYS 39 -5.757 1.761 9.352 339 HZ2 LYS 39 HZ2 LYS 39 -4.220 1.177 9.741 340 HZ3 LYS 39 HZ3 LYS 39 -5.559 0.712 10.662 341 H ASP 40 H ASP 40 -11.074 -2.074 5.416 342 HA ASP 40 HA ASP 40 -13.161 -3.597 6.632 343 HB2 ASP 40 HB2 ASP 40 -13.201 -2.006 4.024 344 HB3 ASP 40 HB3 ASP 40 -14.628 -2.603 4.865 345 H GLU 41 H GLU 41 -11.428 -3.880 3.555 346 HA GLU 41 HA GLU 41 -12.868 -6.115 2.506 347 HB2 GLU 41 HB2 GLU 41 -10.187 -4.890 1.765 348 HB3 GLU 41 HB3 GLU 41 -10.950 -6.184 0.846 349 HG2 GLU 41 HG2 GLU 41 -12.211 -3.462 1.328 350 HG3 GLU 41 HG3 GLU 41 -11.303 -3.899 -0.113 351 H LEU 42 H LEU 42 -10.054 -5.875 4.619 352 HA LEU 42 HA LEU 42 -9.192 -8.561 4.599 353 HB2 LEU 42 HB2 LEU 42 -9.343 -6.788 7.076 354 HB3 LEU 42 HB3 LEU 42 -8.365 -8.234 6.890 355 HG LEU 42 HG LEU 42 -7.939 -5.531 5.582 356 HD11 LEU 42 HD11 LEU 42 -7.118 -5.697 7.876 357 HD12 LEU 42 HD12 LEU 42 -5.780 -5.563 6.739 358 HD13 LEU 42 HD13 LEU 42 -6.172 -7.129 7.452 359 HD21 LEU 42 HD21 LEU 42 -7.477 -7.178 3.861 360 HD22 LEU 42 HD22 LEU 42 -6.435 -8.079 4.962 361 HD23 LEU 42 HD23 LEU 42 -5.973 -6.461 4.434 362 H GLU 43 H GLU 43 -11.936 -7.014 6.217 363 HA GLU 43 HA GLU 43 -12.837 -9.448 7.541 364 HB2 GLU 43 HB2 GLU 43 -14.160 -6.713 7.355 365 HB3 GLU 43 HB3 GLU 43 -14.722 -8.046 8.360 366 HG2 GLU 43 HG2 GLU 43 -12.515 -7.956 9.574 367 HG3 GLU 43 HG3 GLU 43 -12.125 -6.512 8.648 368 H GLU 44 H GLU 44 -12.887 -10.542 5.398 369 HA GLU 44 HA GLU 44 -14.019 -11.760 3.895 370 HB2 GLU 44 HB2 GLU 44 -15.433 -12.054 5.996 371 HB3 GLU 44 HB3 GLU 44 -16.552 -10.875 5.326 372 HG2 GLU 44 HG2 GLU 44 -17.091 -12.339 3.476 373 HG3 GLU 44 HG3 GLU 44 -15.813 -13.464 3.929 374 H GLY 45 H GLY 45 -13.541 -8.898 3.226 375 HA2 GLY 45 HA2 GLY 45 -15.561 -8.408 1.127 376 HA3 GLY 45 HA3 GLY 45 -14.190 -7.388 1.540 377 H ASP 46 H ASP 46 -12.587 -7.369 0.054 378 HA ASP 46 HA ASP 46 -11.432 -9.869 -0.843 379 HB2 ASP 46 HB2 ASP 46 -13.191 -9.325 -2.610 380 HB3 ASP 46 HB3 ASP 46 -12.289 -7.857 -2.980 381 H ALA 47 H ALA 47 -9.616 -9.288 0.303 382 HA ALA 47 HA ALA 47 -8.480 -6.684 0.322 383 HB1 ALA 47 HB1 ALA 47 -7.236 -9.309 1.190 384 HB2 ALA 47 HB2 ALA 47 -8.232 -8.256 2.193 385 HB3 ALA 47 HB3 ALA 47 -6.663 -7.692 1.621 386 H LYS 48 H LYS 48 -7.863 -9.503 -1.745 387 HA LYS 48 HA LYS 48 -5.185 -8.908 -2.429 388 HB2 LYS 48 HB2 LYS 48 -6.295 -11.154 -2.733 389 HB3 LYS 48 HB3 LYS 48 -7.110 -10.503 -4.152 390 HG2 LYS 48 HG2 LYS 48 -4.868 -10.040 -5.182 391 HG3 LYS 48 HG3 LYS 48 -4.101 -10.782 -3.775 392 HD2 LYS 48 HD2 LYS 48 -4.140 -12.441 -5.511 393 HD3 LYS 48 HD3 LYS 48 -5.353 -12.917 -4.320 394 HE2 LYS 48 HE2 LYS 48 -6.266 -13.236 -6.541 395 HE3 LYS 48 HE3 LYS 48 -7.111 -11.886 -5.782 396 HZ1 LYS 48 HZ1 LYS 48 -6.507 -11.464 -8.100 397 HZ2 LYS 48 HZ2 LYS 48 -4.873 -11.614 -7.708 398 HZ3 LYS 48 HZ3 LYS 48 -5.783 -10.356 -7.051 399 H ASN 49 H ASN 49 -8.219 -8.212 -4.231 400 HA ASN 49 HA ASN 49 -7.148 -6.821 -6.417 401 HB2 ASN 49 HB2 ASN 49 -9.509 -7.432 -6.324 402 HB3 ASN 49 HB3 ASN 49 -9.777 -6.384 -4.937 403 HD21 ASN 49 HD21 ASN 49 -10.020 -4.158 -5.281 404 HD22 ASN 49 HD22 ASN 49 -10.198 -3.472 -6.852 405 H MET 50 H MET 50 -7.824 -5.709 -3.148 406 HA MET 50 HA MET 50 -7.317 -2.930 -3.526 407 HB2 MET 50 HB2 MET 50 -7.246 -4.637 -1.005 408 HB3 MET 50 HB3 MET 50 -7.249 -2.876 -1.030 409 HG2 MET 50 HG2 MET 50 -9.465 -4.555 -2.217 410 HG3 MET 50 HG3 MET 50 -9.474 -3.949 -0.562 411 HE1 MET 50 HE1 MET 50 -8.198 -1.019 -0.847 412 HE2 MET 50 HE2 MET 50 -9.593 -1.498 0.125 413 HE3 MET 50 HE3 MET 50 -9.712 -0.123 -0.983 414 H ILE 51 H ILE 51 -5.192 -5.680 -2.743 415 HA ILE 51 HA ILE 51 -2.851 -4.156 -2.048 416 HB ILE 51 HB ILE 51 -2.825 -6.970 -3.253 417 HG12 ILE 51 HG12 ILE 51 -3.082 -6.329 -0.275 418 HG13 ILE 51 HG13 ILE 51 -4.421 -6.830 -1.295 419 HG21 ILE 51 HG21 ILE 51 -0.618 -5.892 -3.086 420 HG22 ILE 51 HG22 ILE 51 -0.725 -7.238 -1.955 421 HG23 ILE 51 HG23 ILE 51 -0.870 -5.580 -1.366 422 HD11 ILE 51 HD11 ILE 51 -3.317 -8.961 -1.723 423 HD12 ILE 51 HD12 ILE 51 -3.564 -8.681 0.001 424 HD13 ILE 51 HD13 ILE 51 -1.963 -8.466 -0.703 425 H GLU 52 H GLU 52 -3.885 -5.842 -4.996 426 HA GLU 52 HA GLU 52 -1.742 -5.271 -6.702 427 HB2 GLU 52 HB2 GLU 52 -4.668 -5.737 -7.431 428 HB3 GLU 52 HB3 GLU 52 -3.302 -5.889 -8.531 429 HG2 GLU 52 HG2 GLU 52 -2.450 -7.822 -7.298 430 HG3 GLU 52 HG3 GLU 52 -3.677 -7.616 -6.054 431 H LYS 53 H LYS 53 -4.837 -3.569 -6.259 432 HA LYS 53 HA LYS 53 -4.194 -1.465 -8.128 433 HB2 LYS 53 HB2 LYS 53 -6.511 -1.802 -6.189 434 HB3 LYS 53 HB3 LYS 53 -6.363 -0.435 -7.292 435 HG2 LYS 53 HG2 LYS 53 -6.637 -3.362 -8.070 436 HG3 LYS 53 HG3 LYS 53 -7.859 -2.096 -8.252 437 HD2 LYS 53 HD2 LYS 53 -6.484 -0.923 -9.892 438 HD3 LYS 53 HD3 LYS 53 -5.144 -2.045 -9.638 439 HE2 LYS 53 HE2 LYS 53 -6.576 -3.888 -10.524 440 HE3 LYS 53 HE3 LYS 53 -7.837 -2.700 -10.867 441 HZ1 LYS 53 HZ1 LYS 53 -6.370 -1.586 -12.382 442 HZ2 LYS 53 HZ2 LYS 53 -6.445 -3.218 -12.806 443 HZ3 LYS 53 HZ3 LYS 53 -5.089 -2.618 -11.992 444 H PHE 54 H PHE 54 -3.695 -1.887 -4.686 445 HA PHE 54 HA PHE 54 -3.174 0.845 -4.059 446 HB2 PHE 54 HB2 PHE 54 -3.457 -0.908 -2.295 447 HB3 PHE 54 HB3 PHE 54 -1.928 -1.630 -2.777 448 HD1 PHE 54 HD2 PHE 54 -3.450 1.465 -1.348 449 HD2 PHE 54 HD1 PHE 54 0.141 -0.795 -1.878 450 HE1 PHE 54 HE2 PHE 54 -2.270 2.987 0.172 451 HE2 PHE 54 HE1 PHE 54 1.317 0.734 -0.371 452 HZ PHE 54 HZ PHE 54 0.119 2.635 0.657 453 H ARG 55 H ARG 55 -1.154 -1.760 -5.387 454 HA ARG 55 HA ARG 55 1.311 -0.394 -5.562 455 HB2 ARG 55 HB2 ARG 55 1.133 -2.824 -5.897 456 HB3 ARG 55 HB3 ARG 55 0.129 -2.597 -7.318 457 HG2 ARG 55 HG2 ARG 55 2.385 -3.240 -7.976 458 HG3 ARG 55 HG3 ARG 55 2.042 -1.602 -8.525 459 HD2 ARG 55 HD2 ARG 55 3.303 -0.771 -6.476 460 HD3 ARG 55 HD3 ARG 55 3.800 -2.445 -6.197 461 HE ARG 55 HE ARG 55 4.466 -0.872 -8.624 462 HH11 ARG 55 HH11 ARG 55 5.354 -3.368 -6.401 463 HH12 ARG 55 HH12 ARG 55 6.913 -3.566 -7.113 464 HH21 ARG 55 HH21 ARG 55 6.447 -1.194 -9.512 465 HH22 ARG 55 HH22 ARG 55 7.523 -2.360 -8.824 466 H ASP 56 H ASP 56 -1.405 -0.627 -7.898 467 HA ASP 56 HA ASP 56 -0.471 0.947 -10.005 468 HB2 ASP 56 HB2 ASP 56 -3.301 0.586 -8.926 469 HB3 ASP 56 HB3 ASP 56 -2.954 1.476 -10.406 470 H GLU 57 H GLU 57 -2.370 2.028 -7.154 471 HA GLU 57 HA GLU 57 -2.431 4.792 -7.761 472 HB2 GLU 57 HB2 GLU 57 -2.679 3.406 -5.055 473 HB3 GLU 57 HB3 GLU 57 -3.089 5.090 -5.359 474 HG2 GLU 57 HG2 GLU 57 -4.462 2.681 -6.589 475 HG3 GLU 57 HG3 GLU 57 -5.088 3.668 -5.271 476 H MET 58 H MET 58 -0.226 2.910 -5.693 477 HA MET 58 HA MET 58 1.390 4.996 -4.731 478 HB2 MET 58 HB2 MET 58 1.781 2.020 -5.048 479 HB3 MET 58 HB3 MET 58 3.150 3.013 -4.553 480 HG2 MET 58 HG2 MET 58 0.494 2.928 -3.117 481 HG3 MET 58 HG3 MET 58 1.932 2.020 -2.649 482 HE1 MET 58 HE1 MET 58 4.320 4.135 -3.210 483 HE2 MET 58 HE2 MET 58 4.167 3.089 -1.793 484 HE3 MET 58 HE3 MET 58 4.426 4.823 -1.587 485 H GLU 59 H GLU 59 1.627 3.143 -7.742 486 HA GLU 59 HA GLU 59 4.171 4.109 -8.553 487 HB2 GLU 59 HB2 GLU 59 2.978 2.098 -9.519 488 HB3 GLU 59 HB3 GLU 59 1.889 3.199 -10.356 489 HG2 GLU 59 HG2 GLU 59 3.816 4.154 -11.584 490 HG3 GLU 59 HG3 GLU 59 4.896 3.026 -10.768 491 H GLN 60 H GLN 60 0.881 5.305 -9.058 492 HA GLN 60 HA GLN 60 1.431 7.489 -10.789 493 HB2 GLN 60 HB2 GLN 60 -0.857 7.128 -8.799 494 HB3 GLN 60 HB3 GLN 60 -0.837 8.285 -10.129 495 HG2 GLN 60 HG2 GLN 60 -0.927 6.525 -11.770 496 HG3 GLN 60 HG3 GLN 60 -0.641 5.291 -10.544 497 HE21 GLN 60 HE21 GLN 60 -2.523 4.143 -11.001 498 HE22 GLN 60 HE22 GLN 60 -4.103 4.746 -10.652 499 H MET 61 H MET 61 1.030 7.350 -7.222 500 HA MET 61 HA MET 61 1.444 10.154 -6.773 501 HB2 MET 61 HB2 MET 61 1.504 7.795 -4.848 502 HB3 MET 61 HB3 MET 61 1.557 9.479 -4.344 503 HG2 MET 61 HG2 MET 61 -0.681 9.842 -5.315 504 HG3 MET 61 HG3 MET 61 -0.734 8.155 -5.826 505 HE1 MET 61 HE1 MET 61 -1.000 6.238 -2.420 506 HE2 MET 61 HE2 MET 61 0.480 6.545 -3.325 507 HE3 MET 61 HE3 MET 61 -0.999 6.104 -4.180 508 H TYR 62 H TYR 62 3.579 7.352 -6.791 509 HA TYR 62 HA TYR 62 5.921 8.589 -5.732 510 HB2 TYR 62 HB2 TYR 62 5.889 6.207 -5.691 511 HB3 TYR 62 HB3 TYR 62 5.430 6.091 -7.384 512 HD1 TYR 62 HD1 TYR 62 8.283 7.259 -5.224 513 HD2 TYR 62 HD2 TYR 62 7.099 5.589 -8.977 514 HE1 TYR 62 HE1 TYR 62 10.629 7.015 -5.860 515 HE2 TYR 62 HE2 TYR 62 9.456 5.338 -9.607 516 HH TYR 62 HH TYR 62 11.966 5.494 -7.502 517 H LYS 63 H LYS 63 4.929 7.913 -9.111 518 HA LYS 63 HA LYS 63 7.141 9.204 -10.350 519 HB2 LYS 63 HB2 LYS 63 4.388 8.499 -11.424 520 HB3 LYS 63 HB3 LYS 63 5.657 9.194 -12.429 521 HG2 LYS 63 HG2 LYS 63 7.104 7.252 -11.992 522 HG3 LYS 63 HG3 LYS 63 5.866 6.553 -10.940 523 HD2 LYS 63 HD2 LYS 63 4.323 6.341 -12.840 524 HD3 LYS 63 HD3 LYS 63 5.482 7.149 -13.902 525 HE2 LYS 63 HE2 LYS 63 7.057 5.287 -13.635 526 HE3 LYS 63 HE3 LYS 63 5.951 4.487 -12.516 527 HZ1 LYS 63 HZ1 LYS 63 5.219 5.136 -15.319 528 HZ2 LYS 63 HZ2 LYS 63 4.403 4.113 -14.242 529 HZ3 LYS 63 HZ3 LYS 63 5.908 3.666 -14.859 530 H ASP 64 H ASP 64 4.184 10.481 -9.036 531 HA ASP 64 HA ASP 64 4.390 13.096 -10.230 532 HB2 ASP 64 HB2 ASP 64 2.246 12.113 -9.364 533 HB3 ASP 64 HB3 ASP 64 2.874 12.235 -7.723 534 H ALA 65 H ALA 65 5.252 11.713 -7.024 535 HA ALA 65 HA ALA 65 7.270 13.810 -6.597 536 HB1 ALA 65 HB1 ALA 65 5.213 14.659 -5.528 537 HB2 ALA 65 HB2 ALA 65 6.465 14.319 -4.334 538 HB3 ALA 65 HB3 ALA 65 5.116 13.198 -4.545 539 HA PRO 66 HA PRO 66 9.080 9.828 -5.039 540 HB2 PRO 66 HB2 PRO 66 11.585 10.542 -6.353 541 HB3 PRO 66 HB3 PRO 66 10.457 9.259 -6.792 542 HG2 PRO 66 HG2 PRO 66 10.919 11.508 -8.341 543 HG3 PRO 66 HG3 PRO 66 9.430 10.541 -8.407 544 HD2 PRO 66 HD2 PRO 66 9.952 13.126 -6.925 545 HD3 PRO 66 HD3 PRO 66 8.532 12.645 -7.887 546 H ASN 67 H ASN 67 9.227 10.421 -2.856 547 HA ASN 67 HA ASN 67 11.322 12.344 -2.005 548 HB2 ASN 67 HB2 ASN 67 10.152 12.289 0.213 549 HB3 ASN 67 HB3 ASN 67 9.125 12.825 -1.109 550 HD21 ASN 67 HD21 ASN 67 7.388 12.307 0.403 551 HD22 ASN 67 HD22 ASN 67 6.833 10.677 0.528 552 H ALA 68 H ALA 68 11.909 9.557 -2.901 553 HA ALA 68 HA ALA 68 13.405 7.931 -2.518 554 HB1 ALA 68 HB1 ALA 68 14.996 8.005 -0.667 555 HB2 ALA 68 HB2 ALA 68 14.017 9.222 0.158 556 HB3 ALA 68 HB3 ALA 68 14.798 9.611 -1.373 557 H VAL 69 H VAL 69 11.854 8.431 0.710 558 HA VAL 69 HA VAL 69 11.689 5.723 1.425 559 HB VAL 69 HB VAL 69 11.477 7.502 3.082 560 HG11 VAL 69 HG11 VAL 69 9.437 8.859 3.353 561 HG12 VAL 69 HG12 VAL 69 8.771 8.170 1.871 562 HG13 VAL 69 HG13 VAL 69 10.221 9.173 1.803 563 HG21 VAL 69 HG21 VAL 69 10.533 5.312 3.689 564 HG22 VAL 69 HG22 VAL 69 8.961 5.783 3.039 565 HG23 VAL 69 HG23 VAL 69 9.619 6.612 4.452 566 H MET 70 H MET 70 9.436 7.679 -0.498 567 HA MET 70 HA MET 70 7.201 6.029 -0.673 568 HB2 MET 70 HB2 MET 70 7.656 8.390 -1.700 569 HB3 MET 70 HB3 MET 70 8.301 7.529 -3.086 570 HG2 MET 70 HG2 MET 70 6.039 8.155 -3.556 571 HG3 MET 70 HG3 MET 70 6.073 6.402 -3.329 572 HE1 MET 70 HE1 MET 70 2.562 7.670 -1.874 573 HE2 MET 70 HE2 MET 70 3.331 6.736 -3.158 574 HE3 MET 70 HE3 MET 70 3.455 8.496 -3.150 575 H GLU 71 H GLU 71 10.124 6.001 -2.697 576 HA GLU 71 HA GLU 71 9.517 3.924 -4.489 577 HB2 GLU 71 HB2 GLU 71 11.326 5.562 -4.822 578 HB3 GLU 71 HB3 GLU 71 12.211 4.902 -3.454 579 HG2 GLU 71 HG2 GLU 71 12.503 2.766 -4.682 580 HG3 GLU 71 HG3 GLU 71 11.630 3.443 -6.059 581 H GLN 72 H GLN 72 11.088 3.846 -1.315 582 HA GLN 72 HA GLN 72 12.089 1.250 -1.199 583 HB2 GLN 72 HB2 GLN 72 12.514 3.070 0.441 584 HB3 GLN 72 HB3 GLN 72 10.879 2.922 1.053 585 HG2 GLN 72 HG2 GLN 72 12.682 0.511 1.170 586 HG3 GLN 72 HG3 GLN 72 12.969 1.823 2.298 587 HE21 GLN 72 HE21 GLN 72 10.829 -0.767 1.432 588 HE22 GLN 72 HE22 GLN 72 9.853 -0.698 2.856 589 H LEU 73 H LEU 73 8.828 2.427 -0.411 590 HA LEU 73 HA LEU 73 7.822 -0.176 0.287 591 HB2 LEU 73 HB2 LEU 73 6.467 2.507 -0.018 592 HB3 LEU 73 HB3 LEU 73 5.546 1.039 0.265 593 HG LEU 73 HG LEU 73 5.798 2.012 2.407 594 HD11 LEU 73 HD11 LEU 73 6.217 -0.405 2.410 595 HD12 LEU 73 HD12 LEU 73 7.091 0.404 3.703 596 HD13 LEU 73 HD13 LEU 73 7.953 -0.119 2.256 597 HD21 LEU 73 HD21 LEU 73 7.535 3.663 1.916 598 HD22 LEU 73 HD22 LEU 73 8.765 2.397 1.897 599 HD23 LEU 73 HD23 LEU 73 7.910 2.779 3.394 600 H LEU 74 H LEU 74 7.828 1.667 -2.767 601 HA LEU 74 HA LEU 74 5.887 0.278 -4.218 602 HB2 LEU 74 HB2 LEU 74 8.444 1.636 -4.992 603 HB3 LEU 74 HB3 LEU 74 7.821 0.500 -6.168 604 HG LEU 74 HG LEU 74 7.099 2.735 -6.757 605 HD11 LEU 74 HD11 LEU 74 4.727 1.167 -5.700 606 HD12 LEU 74 HD12 LEU 74 5.521 0.929 -7.258 607 HD13 LEU 74 HD13 LEU 74 4.678 2.440 -6.924 608 HD21 LEU 74 HD21 LEU 74 7.218 3.822 -4.577 609 HD22 LEU 74 HD22 LEU 74 5.798 2.929 -4.028 610 HD23 LEU 74 HD23 LEU 74 5.652 4.109 -5.334 611 H GLU 75 H GLU 75 9.314 -0.681 -3.738 612 HA GLU 75 HA GLU 75 9.136 -3.189 -5.078 613 HB2 GLU 75 HB2 GLU 75 11.294 -1.960 -4.579 614 HB3 GLU 75 HB3 GLU 75 11.132 -2.444 -2.894 615 HG2 GLU 75 HG2 GLU 75 11.126 -4.860 -3.688 616 HG3 GLU 75 HG3 GLU 75 11.523 -4.269 -5.297 617 H GLU 76 H GLU 76 8.408 -2.238 -1.750 618 HA GLU 76 HA GLU 76 8.320 -4.907 -0.697 619 HB2 GLU 76 HB2 GLU 76 7.235 -2.307 0.426 620 HB3 GLU 76 HB3 GLU 76 7.219 -3.836 1.301 621 HG2 GLU 76 HG2 GLU 76 9.678 -2.336 0.348 622 HG3 GLU 76 HG3 GLU 76 9.097 -2.443 2.007 623 H ILE 77 H ILE 77 5.873 -2.858 -2.257 624 HA ILE 77 HA ILE 77 3.618 -4.518 -1.578 625 HB ILE 77 HB ILE 77 3.876 -2.739 -4.053 626 HG12 ILE 77 HG12 ILE 77 2.696 -1.887 -1.361 627 HG13 ILE 77 HG13 ILE 77 4.355 -1.537 -1.827 628 HG21 ILE 77 HG21 ILE 77 1.409 -3.727 -2.540 629 HG22 ILE 77 HG22 ILE 77 1.949 -4.283 -4.125 630 HG23 ILE 77 HG23 ILE 77 1.390 -2.625 -3.922 631 HD11 ILE 77 HD11 ILE 77 3.567 -0.232 -3.723 632 HD12 ILE 77 HD12 ILE 77 2.899 0.358 -2.200 633 HD13 ILE 77 HD13 ILE 77 1.895 -0.601 -3.287 634 H GLU 78 H GLU 78 6.023 -4.461 -4.170 635 HA GLU 78 HA GLU 78 5.131 -6.529 -5.850 636 HB2 GLU 78 HB2 GLU 78 7.034 -5.024 -6.366 637 HB3 GLU 78 HB3 GLU 78 7.962 -5.737 -5.057 638 HG2 GLU 78 HG2 GLU 78 7.769 -7.960 -6.339 639 HG3 GLU 78 HG3 GLU 78 7.201 -6.991 -7.698 640 H LYS 79 H LYS 79 7.214 -6.676 -2.947 641 HA LYS 79 HA LYS 79 7.619 -9.450 -2.747 642 HB2 LYS 79 HB2 LYS 79 7.300 -7.568 -0.364 643 HB3 LYS 79 HB3 LYS 79 8.205 -9.075 -0.407 644 HG2 LYS 79 HG2 LYS 79 8.924 -6.559 -1.921 645 HG3 LYS 79 HG3 LYS 79 9.638 -7.059 -0.392 646 HD2 LYS 79 HD2 LYS 79 10.596 -9.054 -1.480 647 HD3 LYS 79 HD3 LYS 79 9.833 -8.604 -3.010 648 HE2 LYS 79 HE2 LYS 79 12.242 -7.982 -2.925 649 HE3 LYS 79 HE3 LYS 79 11.192 -6.583 -3.146 650 HZ1 LYS 79 HZ1 LYS 79 12.903 -6.092 -1.554 651 HZ2 LYS 79 HZ2 LYS 79 12.478 -7.425 -0.601 652 HZ3 LYS 79 HZ3 LYS 79 11.411 -6.124 -0.760 653 H LEU 80 H LEU 80 5.050 -7.395 -1.444 654 HA LEU 80 HA LEU 80 3.579 -9.274 0.058 655 HB2 LEU 80 HB2 LEU 80 3.482 -6.601 -0.171 656 HB3 LEU 80 HB3 LEU 80 2.218 -6.942 -1.333 657 HG LEU 80 HG LEU 80 2.192 -7.679 1.622 658 HD11 LEU 80 HD11 LEU 80 1.907 -5.287 1.263 659 HD12 LEU 80 HD12 LEU 80 0.412 -6.014 1.844 660 HD13 LEU 80 HD13 LEU 80 0.581 -5.595 0.137 661 HD21 LEU 80 HD21 LEU 80 -0.135 -8.385 1.342 662 HD22 LEU 80 HD22 LEU 80 0.948 -9.378 0.372 663 HD23 LEU 80 HD23 LEU 80 -0.017 -8.118 -0.399 664 H LEU 81 H LEU 81 3.189 -8.180 -3.330 665 HA LEU 81 HA LEU 81 0.909 -9.663 -4.032 666 HB2 LEU 81 HB2 LEU 81 3.204 -8.635 -5.742 667 HB3 LEU 81 HB3 LEU 81 1.756 -9.362 -6.422 668 HG LEU 81 HG LEU 81 1.795 -6.821 -4.743 669 HD11 LEU 81 HD11 LEU 81 1.302 -5.614 -6.820 670 HD12 LEU 81 HD12 LEU 81 1.444 -7.114 -7.740 671 HD13 LEU 81 HD13 LEU 81 2.856 -6.443 -6.919 672 HD21 LEU 81 HD21 LEU 81 -0.500 -8.120 -6.251 673 HD22 LEU 81 HD22 LEU 81 -0.555 -6.564 -5.419 674 HD23 LEU 81 HD23 LEU 81 -0.317 -8.042 -4.495 675 H LYS 82 H LYS 82 4.366 -10.468 -4.383 676 HA LYS 82 HA LYS 82 4.128 -12.910 -5.736 677 HB2 LYS 82 HB2 LYS 82 6.302 -11.882 -3.873 678 HB3 LYS 82 HB3 LYS 82 6.459 -13.370 -4.808 679 HG2 LYS 82 HG2 LYS 82 6.292 -12.144 -6.907 680 HG3 LYS 82 HG3 LYS 82 5.959 -10.640 -6.043 681 HD2 LYS 82 HD2 LYS 82 8.220 -10.659 -5.077 682 HD3 LYS 82 HD3 LYS 82 8.559 -12.214 -5.845 683 HE2 LYS 82 HE2 LYS 82 8.415 -11.198 -8.057 684 HE3 LYS 82 HE3 LYS 82 7.920 -9.658 -7.356 685 HZ1 LYS 82 HZ1 LYS 82 10.526 -10.953 -6.792 686 HZ2 LYS 82 HZ2 LYS 82 10.052 -9.381 -6.381 687 HZ3 LYS 82 HZ3 LYS 82 10.296 -9.794 -7.999 688 H LYS 83 H LYS 83 4.116 -12.298 -2.224 689 HA LYS 83 HA LYS 83 3.800 -15.061 -1.453 690 HB2 LYS 83 HB2 LYS 83 3.251 -12.482 0.061 691 HB3 LYS 83 HB3 LYS 83 3.158 -14.081 0.787 692 HG2 LYS 83 HG2 LYS 83 5.650 -12.804 -0.378 693 HG3 LYS 83 HG3 LYS 83 5.265 -12.956 1.340 694 HD2 LYS 83 HD2 LYS 83 5.287 -15.447 1.089 695 HD3 LYS 83 HD3 LYS 83 5.753 -15.252 -0.602 696 HE2 LYS 83 HE2 LYS 83 7.826 -14.075 0.151 697 HE3 LYS 83 HE3 LYS 83 7.362 -14.400 1.824 698 HZ1 LYS 83 HZ1 LYS 83 7.874 -16.471 -0.243 699 HZ2 LYS 83 HZ2 LYS 83 7.474 -16.759 1.372 700 HZ3 LYS 83 HZ3 LYS 83 8.947 -16.031 0.987 701 H ALA 84 H ALA 84 1.499 -12.337 -1.701 702 HA ALA 84 HA ALA 84 -0.751 -14.053 -0.875 703 HB1 ALA 84 HB1 ALA 84 -0.566 -11.029 -1.097 704 HB2 ALA 84 HB2 ALA 84 -0.357 -11.969 0.381 705 HB3 ALA 84 HB3 ALA 84 -1.924 -11.937 -0.427 706 H GLY 85 H GLY 85 0.257 -14.341 -3.599 707 HA2 GLY 85 HA2 GLY 85 -1.968 -14.854 -5.028 708 HA3 GLY 85 HA3 GLY 85 -1.750 -13.145 -5.365 709 H SER 86 H SER 86 0.375 -12.486 -6.238 710 HA SER 86 HA SER 86 1.856 -12.448 -7.944 711 HB2 SER 86 HB2 SER 86 3.019 -14.179 -6.499 712 HB3 SER 86 HB3 SER 86 2.252 -15.435 -7.473 713 HG SER 86 HG SER 86 4.477 -14.717 -8.057 714 H LEU 87 H LEU 87 2.456 -14.262 -10.060 715 HA LEU 87 HA LEU 87 1.777 -14.877 -12.138 716 HB2 LEU 87 HB2 LEU 87 0.694 -16.668 -10.707 717 HB3 LEU 87 HB3 LEU 87 -0.791 -15.737 -10.748 718 HG LEU 87 HG LEU 87 -0.884 -16.057 -13.237 719 HD11 LEU 87 HD11 LEU 87 1.488 -16.363 -13.712 720 HD12 LEU 87 HD12 LEU 87 0.554 -17.723 -14.324 721 HD13 LEU 87 HD13 LEU 87 1.493 -17.900 -12.840 722 HD21 LEU 87 HD21 LEU 87 -2.161 -17.549 -11.770 723 HD22 LEU 87 HD22 LEU 87 -0.779 -18.639 -11.640 724 HD23 LEU 87 HD23 LEU 87 -1.585 -18.412 -13.194 725 H VAL 88 H VAL 88 1.284 -12.157 -11.280 726 HA VAL 88 HA VAL 88 -1.263 -11.176 -12.011 727 HB VAL 88 HB VAL 88 -0.207 -8.897 -11.960 728 HG11 VAL 88 HG11 VAL 88 0.359 -8.924 -9.549 729 HG12 VAL 88 HG12 VAL 88 0.473 -10.686 -9.592 730 HG13 VAL 88 HG13 VAL 88 -1.074 -9.892 -9.897 731 HG21 VAL 88 HG21 VAL 88 2.161 -8.658 -11.250 732 HG22 VAL 88 HG22 VAL 88 2.033 -9.418 -12.833 733 HG23 VAL 88 HG23 VAL 88 2.390 -10.404 -11.414 734 HA PRO 89 HA PRO 89 -0.890 -11.540 -16.474 735 HB2 PRO 89 HB2 PRO 89 -3.287 -9.779 -16.649 736 HB3 PRO 89 HB3 PRO 89 -3.091 -11.459 -17.161 737 HG2 PRO 89 HG2 PRO 89 -4.573 -10.841 -14.999 738 HG3 PRO 89 HG3 PRO 89 -3.562 -12.303 -15.023 739 HD2 PRO 89 HD2 PRO 89 -2.963 -9.614 -13.759 740 HD3 PRO 89 HD3 PRO 89 -2.787 -11.246 -13.065 741 H ARG 90 H ARG 90 -0.945 -8.440 -14.880 742 HA ARG 90 HA ARG 90 0.724 -7.310 -17.062 743 HB2 ARG 90 HB2 ARG 90 -1.462 -6.134 -16.984 744 HB3 ARG 90 HB3 ARG 90 -1.236 -5.797 -15.271 745 HG2 ARG 90 HG2 ARG 90 0.658 -4.333 -15.764 746 HG3 ARG 90 HG3 ARG 90 0.561 -4.730 -17.481 747 HD2 ARG 90 HD2 ARG 90 -1.696 -3.698 -17.575 748 HD3 ARG 90 HD3 ARG 90 -1.569 -3.290 -15.861 749 HE ARG 90 HE ARG 90 0.338 -1.848 -16.466 750 HH11 ARG 90 HH11 ARG 90 -1.895 -2.653 -18.982 751 HH12 ARG 90 HH12 ARG 90 -1.541 -1.230 -19.893 752 HH21 ARG 90 HH21 ARG 90 0.754 -0.025 -17.649 753 HH22 ARG 90 HH22 ARG 90 -0.058 0.234 -19.155 754 H GLY 91 H GLY 91 2.756 -7.503 -16.287 755 HA2 GLY 91 HA2 GLY 91 3.593 -6.154 -13.868 756 HA3 GLY 91 HA3 GLY 91 3.660 -7.906 -13.729 757 H SER 92 H SER 92 4.594 -5.369 -16.074 758 HA SER 92 HA SER 92 7.339 -6.513 -16.228 759 HB2 SER 92 HB2 SER 92 6.130 -7.181 -18.285 760 HB3 SER 92 HB3 SER 92 5.687 -5.502 -18.594 761 HG SER 92 HG SER 92 7.628 -6.438 -19.704 762 H TYR 93 H TYR 93 8.601 -5.011 -15.274 763 HA TYR 93 HA TYR 93 8.934 -2.393 -16.398 764 HB2 TYR 93 HB2 TYR 93 6.898 -2.384 -14.562 765 HB3 TYR 93 HB3 TYR 93 8.247 -2.140 -13.467 766 HD1 TYR 93 HD2 TYR 93 6.342 -0.683 -16.293 767 HD2 TYR 93 HD1 TYR 93 9.457 0.024 -13.446 768 HE1 TYR 93 HE2 TYR 93 6.282 1.713 -16.824 769 HE2 TYR 93 HE1 TYR 93 9.393 2.423 -13.985 770 HH TYR 93 HH TYR 93 8.686 3.905 -15.784 771 H LEU 94 H LEU 94 11.101 -2.967 -16.645 772 HA LEU 94 HA LEU 94 12.673 -3.733 -14.238 773 HB2 LEU 94 HB2 LEU 94 12.575 -5.415 -16.092 774 HB3 LEU 94 HB3 LEU 94 13.307 -4.244 -17.175 775 HG LEU 94 HG LEU 94 15.365 -4.244 -15.700 776 HD11 LEU 94 HD11 LEU 94 14.351 -4.985 -13.598 777 HD12 LEU 94 HD12 LEU 94 15.682 -6.039 -14.057 778 HD13 LEU 94 HD13 LEU 94 14.017 -6.573 -14.296 779 HD21 LEU 94 HD21 LEU 94 15.316 -5.604 -17.749 780 HD22 LEU 94 HD22 LEU 94 14.611 -6.955 -16.859 781 HD23 LEU 94 HD23 LEU 94 16.247 -6.408 -16.486 782 H GLU 95 H GLU 95 13.310 -1.728 -13.452 783 HA GLU 95 HA GLU 95 15.393 -0.346 -15.061 784 HB2 GLU 95 HB2 GLU 95 13.439 1.168 -14.889 785 HB3 GLU 95 HB3 GLU 95 13.438 1.004 -13.135 786 HG2 GLU 95 HG2 GLU 95 15.717 2.040 -13.069 787 HG3 GLU 95 HG3 GLU 95 15.641 2.258 -14.816 788 H HIS 96 H HIS 96 17.201 -1.202 -14.179 789 HA HIS 96 HA HIS 96 18.884 -1.708 -12.752 790 HB2 HIS 96 HB2 HIS 96 17.641 0.534 -11.096 791 HB3 HIS 96 HB3 HIS 96 19.222 -0.170 -10.767 792 HD1 HIS 96 HD1 HIS 96 20.992 1.388 -11.559 793 HD2 HIS 96 HD2 HIS 96 17.719 1.406 -14.119 794 HE1 HIS 96 HE1 HIS 96 21.570 2.998 -13.387 795 HE2 HIS 96 HE2 HIS 96 19.629 2.907 -14.978 796 H HIS 97 H HIS 97 16.299 -3.138 -12.437 797 HA HIS 97 HA HIS 97 16.274 -3.949 -9.587 798 HB2 HIS 97 HB2 HIS 97 14.148 -3.018 -10.620 799 HB3 HIS 97 HB3 HIS 97 14.135 -4.378 -11.732 800 HD1 HIS 97 HD1 HIS 97 13.406 -6.682 -10.774 801 HD2 HIS 97 HD2 HIS 97 13.314 -3.629 -7.959 802 HE1 HIS 97 HE1 HIS 97 12.123 -7.599 -8.845 803 HE2 HIS 97 HE2 HIS 97 11.879 -5.667 -7.263 804 H HIS 98 H HIS 98 18.260 -4.902 -11.587 805 HA HIS 98 HA HIS 98 17.846 -7.602 -12.293 806 HB2 HIS 98 HB2 HIS 98 19.742 -6.264 -13.141 807 HB3 HIS 98 HB3 HIS 98 20.430 -6.171 -11.527 808 HD1 HIS 98 HD1 HIS 98 22.416 -7.639 -11.399 809 HD2 HIS 98 HD2 HIS 98 19.469 -9.305 -13.801 810 HE1 HIS 98 HE1 HIS 98 23.329 -9.846 -12.145 811 HE2 HIS 98 HE2 HIS 98 21.469 -10.894 -13.470 812 H HIS 99 H HIS 99 19.114 -6.143 -9.298 813 HA HIS 99 HA HIS 99 17.788 -8.036 -7.629 814 HB2 HIS 99 HB2 HIS 99 19.820 -8.925 -6.426 815 HB3 HIS 99 HB3 HIS 99 19.669 -9.515 -8.073 816 HD1 HIS 99 HD1 HIS 99 21.556 -6.712 -6.272 817 HD2 HIS 99 HD2 HIS 99 22.007 -9.357 -9.440 818 HE1 HIS 99 HE1 HIS 99 23.887 -6.374 -7.100 819 HE2 HIS 99 HE2 HIS 99 24.202 -8.140 -8.855 820 H HIS 100 H HIS 100 18.181 -7.557 -5.249 821 HA HIS 100 HA HIS 100 19.291 -4.840 -4.749 822 HB2 HIS 100 HB2 HIS 100 17.550 -4.458 -3.027 823 HB3 HIS 100 HB3 HIS 100 16.828 -4.703 -4.609 824 HD1 HIS 100 HD1 HIS 100 17.169 -6.326 -1.244 825 HD2 HIS 100 HD2 HIS 100 15.151 -6.947 -4.815 826 HE1 HIS 100 HE1 HIS 100 15.496 -8.116 -0.758 827 HE2 HIS 100 HE2 HIS 100 14.455 -8.628 -2.986 828 H HIS 101 H HIS 101 20.588 -4.610 -2.936 829 HA HIS 101 HA HIS 101 20.989 -6.832 -1.063 830 HB2 HIS 101 HB2 HIS 101 22.424 -7.367 -3.060 831 HB3 HIS 101 HB3 HIS 101 23.285 -5.853 -2.832 832 HD1 HIS 101 HD1 HIS 101 22.938 -9.295 -1.414 833 HD2 HIS 101 HD2 HIS 101 25.174 -5.869 -0.702 834 HE1 HIS 101 HE1 HIS 101 24.763 -9.997 0.141 835 HE2 HIS 101 HE2 HIS 101 26.014 -7.887 0.669 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -5.833 -19.290 12.828 2 H2 MET 1 H2 MET 1 -5.819 -20.909 12.347 3 H3 MET 1 H3 MET 1 -6.722 -19.776 11.473 4 HA MET 1 HA MET 1 -4.720 -20.346 10.300 5 HB2 MET 1 HB2 MET 1 -5.646 -18.059 10.073 6 HB3 MET 1 HB3 MET 1 -4.684 -17.512 11.442 7 HG2 MET 1 HG2 MET 1 -3.664 -16.811 9.333 8 HG3 MET 1 HG3 MET 1 -2.618 -17.965 10.161 9 HE1 MET 1 HE1 MET 1 -5.915 -18.634 8.067 10 HE2 MET 1 HE2 MET 1 -5.221 -18.984 6.484 11 HE3 MET 1 HE3 MET 1 -5.083 -17.361 7.164 12 H GLN 2 H GLN 2 -2.504 -20.742 10.277 13 HA GLN 2 HA GLN 2 -0.951 -20.266 12.771 14 HB2 GLN 2 HB2 GLN 2 -0.702 -22.594 10.820 15 HB3 GLN 2 HB3 GLN 2 0.368 -22.308 12.190 16 HG2 GLN 2 HG2 GLN 2 -1.564 -22.577 13.732 17 HG3 GLN 2 HG3 GLN 2 -2.601 -22.921 12.350 18 HE21 GLN 2 HE21 GLN 2 -1.975 -24.595 14.665 19 HE22 GLN 2 HE22 GLN 2 -1.292 -26.052 14.046 20 H GLU 3 H GLU 3 0.524 -18.707 12.442 21 HA GLU 3 HA GLU 3 2.454 -17.755 11.837 22 HB2 GLU 3 HB2 GLU 3 3.341 -20.022 11.734 23 HB3 GLU 3 HB3 GLU 3 2.751 -20.229 10.091 24 HG2 GLU 3 HG2 GLU 3 5.190 -19.892 10.167 25 HG3 GLU 3 HG3 GLU 3 4.374 -18.629 9.251 26 H GLU 4 H GLU 4 1.695 -19.026 8.534 27 HA GLU 4 HA GLU 4 3.095 -16.803 7.456 28 HB2 GLU 4 HB2 GLU 4 1.505 -18.967 6.049 29 HB3 GLU 4 HB3 GLU 4 2.587 -17.834 5.241 30 HG2 GLU 4 HG2 GLU 4 4.504 -18.745 6.490 31 HG3 GLU 4 HG3 GLU 4 3.435 -19.849 7.354 32 H ARG 5 H ARG 5 -0.353 -17.738 6.791 33 HA ARG 5 HA ARG 5 -0.679 -15.604 4.961 34 HB2 ARG 5 HB2 ARG 5 -1.983 -17.733 4.869 35 HB3 ARG 5 HB3 ARG 5 -2.902 -17.208 6.276 36 HG2 ARG 5 HG2 ARG 5 -3.740 -15.252 4.982 37 HG3 ARG 5 HG3 ARG 5 -2.842 -15.808 3.571 38 HD2 ARG 5 HD2 ARG 5 -5.128 -17.272 4.933 39 HD3 ARG 5 HD3 ARG 5 -5.214 -16.410 3.397 40 HE ARG 5 HE ARG 5 -3.359 -18.679 3.665 41 HH11 ARG 5 HH11 ARG 5 -6.239 -17.410 2.214 42 HH12 ARG 5 HH12 ARG 5 -6.337 -18.698 1.069 43 HH21 ARG 5 HH21 ARG 5 -3.542 -20.305 2.222 44 HH22 ARG 5 HH22 ARG 5 -4.845 -20.327 1.088 45 H LYS 6 H LYS 6 -1.508 -15.792 8.421 46 HA LYS 6 HA LYS 6 -2.991 -13.345 8.481 47 HB2 LYS 6 HB2 LYS 6 -2.007 -15.235 10.556 48 HB3 LYS 6 HB3 LYS 6 -2.040 -13.567 11.107 49 HG2 LYS 6 HG2 LYS 6 -4.396 -15.151 10.017 50 HG3 LYS 6 HG3 LYS 6 -4.124 -14.684 11.698 51 HD2 LYS 6 HD2 LYS 6 -4.335 -12.287 11.065 52 HD3 LYS 6 HD3 LYS 6 -4.589 -12.752 9.384 53 HE2 LYS 6 HE2 LYS 6 -6.726 -12.217 10.394 54 HE3 LYS 6 HE3 LYS 6 -6.668 -13.950 10.069 55 HZ1 LYS 6 HZ1 LYS 6 -6.164 -12.675 12.700 56 HZ2 LYS 6 HZ2 LYS 6 -6.159 -14.337 12.387 57 HZ3 LYS 6 HZ3 LYS 6 -7.592 -13.453 12.241 58 H LYS 7 H LYS 7 0.453 -14.073 8.877 59 HA LYS 7 HA LYS 7 1.228 -11.358 9.448 60 HB2 LYS 7 HB2 LYS 7 2.839 -13.764 8.554 61 HB3 LYS 7 HB3 LYS 7 3.555 -12.197 8.936 62 HG2 LYS 7 HG2 LYS 7 2.649 -12.349 11.240 63 HG3 LYS 7 HG3 LYS 7 1.969 -13.934 10.858 64 HD2 LYS 7 HD2 LYS 7 4.251 -14.808 10.449 65 HD3 LYS 7 HD3 LYS 7 4.928 -13.222 10.840 66 HE2 LYS 7 HE2 LYS 7 4.049 -13.398 13.128 67 HE3 LYS 7 HE3 LYS 7 3.320 -14.959 12.741 68 HZ1 LYS 7 HZ1 LYS 7 5.557 -15.816 12.287 69 HZ2 LYS 7 HZ2 LYS 7 5.396 -15.280 13.882 70 HZ3 LYS 7 HZ3 LYS 7 6.222 -14.332 12.750 71 H LEU 8 H LEU 8 0.713 -13.200 6.504 72 HA LEU 8 HA LEU 8 2.010 -11.514 4.634 73 HB2 LEU 8 HB2 LEU 8 1.145 -13.904 4.291 74 HB3 LEU 8 HB3 LEU 8 -0.463 -13.236 4.139 75 HG LEU 8 HG LEU 8 0.683 -13.874 1.955 76 HD11 LEU 8 HD11 LEU 8 -1.232 -12.355 1.897 77 HD12 LEU 8 HD12 LEU 8 -0.058 -11.948 0.649 78 HD13 LEU 8 HD13 LEU 8 -0.159 -10.968 2.114 79 HD21 LEU 8 HD21 LEU 8 2.957 -13.135 2.514 80 HD22 LEU 8 HD22 LEU 8 2.428 -11.450 2.487 81 HD23 LEU 8 HD23 LEU 8 2.396 -12.413 1.007 82 H LEU 9 H LEU 9 -1.454 -11.646 5.682 83 HA LEU 9 HA LEU 9 -2.128 -9.177 4.355 84 HB2 LEU 9 HB2 LEU 9 -4.340 -9.390 5.419 85 HB3 LEU 9 HB3 LEU 9 -3.831 -10.850 4.601 86 HG LEU 9 HG LEU 9 -3.117 -11.667 7.003 87 HD11 LEU 9 HD11 LEU 9 -4.539 -10.826 8.833 88 HD12 LEU 9 HD12 LEU 9 -5.144 -9.548 7.777 89 HD13 LEU 9 HD13 LEU 9 -3.439 -9.590 8.227 90 HD21 LEU 9 HD21 LEU 9 -4.872 -12.719 5.666 91 HD22 LEU 9 HD22 LEU 9 -6.041 -11.513 6.214 92 HD23 LEU 9 HD23 LEU 9 -5.331 -12.649 7.366 93 H GLU 10 H GLU 10 -0.971 -9.961 7.585 94 HA GLU 10 HA GLU 10 -1.407 -7.435 8.843 95 HB2 GLU 10 HB2 GLU 10 -0.818 -9.537 10.077 96 HB3 GLU 10 HB3 GLU 10 0.794 -9.480 9.387 97 HG2 GLU 10 HG2 GLU 10 0.858 -8.705 11.679 98 HG3 GLU 10 HG3 GLU 10 1.224 -7.358 10.601 99 H LYS 11 H LYS 11 1.056 -8.642 6.634 100 HA LYS 11 HA LYS 11 2.937 -6.548 6.930 101 HB2 LYS 11 HB2 LYS 11 3.472 -8.712 5.836 102 HB3 LYS 11 HB3 LYS 11 2.448 -8.277 4.472 103 HG2 LYS 11 HG2 LYS 11 3.926 -6.391 3.923 104 HG3 LYS 11 HG3 LYS 11 4.925 -6.728 5.338 105 HD2 LYS 11 HD2 LYS 11 4.550 -8.584 2.952 106 HD3 LYS 11 HD3 LYS 11 5.956 -7.558 3.241 107 HE2 LYS 11 HE2 LYS 11 6.362 -8.812 5.376 108 HE3 LYS 11 HE3 LYS 11 5.046 -9.908 4.939 109 HZ1 LYS 11 HZ1 LYS 11 7.503 -9.440 3.341 110 HZ2 LYS 11 HZ2 LYS 11 6.260 -10.523 2.958 111 HZ3 LYS 11 HZ3 LYS 11 7.214 -10.778 4.328 112 H LEU 12 H LEU 12 -0.044 -6.794 4.932 113 HA LEU 12 HA LEU 12 0.207 -4.342 3.562 114 HB2 LEU 12 HB2 LEU 12 -2.275 -5.720 4.630 115 HB3 LEU 12 HB3 LEU 12 -2.378 -4.168 3.827 116 HG LEU 12 HG LEU 12 -2.970 -5.774 2.192 117 HD11 LEU 12 HD11 LEU 12 -0.076 -5.082 1.613 118 HD12 LEU 12 HD12 LEU 12 -1.471 -4.040 1.328 119 HD13 LEU 12 HD13 LEU 12 -1.305 -5.547 0.431 120 HD21 LEU 12 HD21 LEU 12 -2.196 -7.805 3.262 121 HD22 LEU 12 HD22 LEU 12 -0.516 -7.395 2.912 122 HD23 LEU 12 HD23 LEU 12 -1.634 -7.749 1.593 123 H GLU 13 H GLU 13 -1.160 -4.942 6.838 124 HA GLU 13 HA GLU 13 -1.612 -2.248 7.544 125 HB2 GLU 13 HB2 GLU 13 -1.204 -4.769 9.173 126 HB3 GLU 13 HB3 GLU 13 -1.406 -3.219 9.978 127 HG2 GLU 13 HG2 GLU 13 -3.408 -4.408 8.031 128 HG3 GLU 13 HG3 GLU 13 -3.515 -4.540 9.788 129 H LYS 14 H LYS 14 1.352 -4.130 7.666 130 HA LYS 14 HA LYS 14 2.887 -2.311 9.258 131 HB2 LYS 14 HB2 LYS 14 3.277 -4.884 8.512 132 HB3 LYS 14 HB3 LYS 14 4.222 -4.134 7.240 133 HG2 LYS 14 HG2 LYS 14 4.688 -3.830 10.230 134 HG3 LYS 14 HG3 LYS 14 5.615 -4.856 9.135 135 HD2 LYS 14 HD2 LYS 14 6.376 -2.829 7.910 136 HD3 LYS 14 HD3 LYS 14 5.470 -1.820 9.039 137 HE2 LYS 14 HE2 LYS 14 6.892 -2.654 10.898 138 HE3 LYS 14 HE3 LYS 14 7.805 -3.630 9.744 139 HZ1 LYS 14 HZ1 LYS 14 8.350 -1.521 8.578 140 HZ2 LYS 14 HZ2 LYS 14 9.005 -1.638 10.129 141 HZ3 LYS 14 HZ3 LYS 14 7.647 -0.668 9.857 142 H ILE 15 H ILE 15 2.651 -2.850 5.716 143 HA ILE 15 HA ILE 15 4.452 -0.813 4.883 144 HB ILE 15 HB ILE 15 2.162 -2.081 3.299 145 HG12 ILE 15 HG12 ILE 15 5.109 -2.895 3.205 146 HG13 ILE 15 HG13 ILE 15 3.929 -3.699 4.232 147 HG21 ILE 15 HG21 ILE 15 3.441 -1.399 1.268 148 HG22 ILE 15 HG22 ILE 15 4.608 -0.559 2.289 149 HG23 ILE 15 HG23 ILE 15 2.934 -0.008 2.225 150 HD11 ILE 15 HD11 ILE 15 4.300 -4.944 2.202 151 HD12 ILE 15 HD12 ILE 15 3.844 -3.552 1.222 152 HD13 ILE 15 HD13 ILE 15 2.642 -4.345 2.249 153 H LEU 16 H LEU 16 0.867 -0.938 4.770 154 HA LEU 16 HA LEU 16 0.264 1.578 3.795 155 HB2 LEU 16 HB2 LEU 16 -1.268 -0.389 5.497 156 HB3 LEU 16 HB3 LEU 16 -1.970 1.193 5.222 157 HG LEU 16 HG LEU 16 -2.090 0.796 2.810 158 HD11 LEU 16 HD11 LEU 16 -0.813 -1.919 3.264 159 HD12 LEU 16 HD12 LEU 16 -0.050 -0.543 2.469 160 HD13 LEU 16 HD13 LEU 16 -1.459 -1.307 1.741 161 HD21 LEU 16 HD21 LEU 16 -3.962 -0.003 4.182 162 HD22 LEU 16 HD22 LEU 16 -3.190 -1.581 4.348 163 HD23 LEU 16 HD23 LEU 16 -3.739 -1.026 2.764 164 H ASP 17 H ASP 17 0.848 0.678 7.174 165 HA ASP 17 HA ASP 17 0.197 3.129 8.411 166 HB2 ASP 17 HB2 ASP 17 0.547 1.036 9.654 167 HB3 ASP 17 HB3 ASP 17 2.249 1.024 9.212 168 H GLU 18 H GLU 18 3.277 1.948 7.075 169 HA GLU 18 HA GLU 18 4.758 4.366 7.633 170 HB2 GLU 18 HB2 GLU 18 5.463 1.931 5.965 171 HB3 GLU 18 HB3 GLU 18 6.582 3.240 6.349 172 HG2 GLU 18 HG2 GLU 18 6.359 2.747 8.752 173 HG3 GLU 18 HG3 GLU 18 5.222 1.450 8.390 174 H VAL 19 H VAL 19 2.798 3.268 4.967 175 HA VAL 19 HA VAL 19 3.779 5.026 2.953 176 HB VAL 19 HB VAL 19 0.958 3.868 3.241 177 HG11 VAL 19 HG11 VAL 19 0.697 4.344 0.820 178 HG12 VAL 19 HG12 VAL 19 2.275 5.139 0.809 179 HG13 VAL 19 HG13 VAL 19 0.952 5.821 1.751 180 HG21 VAL 19 HG21 VAL 19 2.671 2.105 3.031 181 HG22 VAL 19 HG22 VAL 19 3.301 2.860 1.571 182 HG23 VAL 19 HG23 VAL 19 1.672 2.178 1.583 183 H THR 20 H THR 20 1.055 5.308 5.268 184 HA THR 20 HA THR 20 0.452 8.052 4.678 185 HB THR 20 HB THR 20 -0.977 7.998 6.689 186 HG1 THR 20 HG1 THR 20 -0.994 6.116 7.989 187 HG21 THR 20 HG21 THR 20 -2.459 6.116 6.078 188 HG22 THR 20 HG22 THR 20 -1.165 5.405 5.111 189 HG23 THR 20 HG23 THR 20 -1.869 6.952 4.637 190 H ASP 21 H ASP 21 2.613 6.453 6.964 191 HA ASP 21 HA ASP 21 3.298 8.674 8.585 192 HB2 ASP 21 HB2 ASP 21 3.775 6.367 9.267 193 HB3 ASP 21 HB3 ASP 21 4.880 6.161 7.913 194 H GLY 22 H GLY 22 4.728 7.415 5.589 195 HA2 GLY 22 HA2 GLY 22 6.494 9.747 5.278 196 HA3 GLY 22 HA3 GLY 22 6.362 8.364 4.198 197 H ALA 23 H ALA 23 5.032 8.473 2.455 198 HA ALA 23 HA ALA 23 3.806 9.293 0.751 199 HB1 ALA 23 HB1 ALA 23 1.991 8.995 2.360 200 HB2 ALA 23 HB2 ALA 23 1.665 10.355 1.287 201 HB3 ALA 23 HB3 ALA 23 2.214 10.646 2.941 202 HA PRO 24 HA PRO 24 4.819 13.684 -0.346 203 HB2 PRO 24 HB2 PRO 24 2.476 13.514 -2.218 204 HB3 PRO 24 HB3 PRO 24 4.169 13.897 -2.572 205 HG2 PRO 24 HG2 PRO 24 3.134 11.534 -3.293 206 HG3 PRO 24 HG3 PRO 24 4.797 11.642 -2.675 207 HD2 PRO 24 HD2 PRO 24 2.284 10.791 -1.204 208 HD3 PRO 24 HD3 PRO 24 3.890 10.021 -1.238 209 H ASP 25 H ASP 25 3.761 15.814 -0.141 210 HA ASP 25 HA ASP 25 2.028 16.076 2.062 211 HB2 ASP 25 HB2 ASP 25 2.566 18.119 -0.132 212 HB3 ASP 25 HB3 ASP 25 1.907 18.483 1.462 213 H GLU 26 H GLU 26 1.304 16.408 -1.402 214 HA GLU 26 HA GLU 26 -1.487 16.981 -1.107 215 HB2 GLU 26 HB2 GLU 26 0.166 16.132 -3.524 216 HB3 GLU 26 HB3 GLU 26 -1.521 16.625 -3.620 217 HG2 GLU 26 HG2 GLU 26 0.697 18.404 -2.567 218 HG3 GLU 26 HG3 GLU 26 0.151 18.395 -4.241 219 H ALA 27 H ALA 27 0.328 14.086 -2.097 220 HA ALA 27 HA ALA 27 -1.983 12.579 -2.843 221 HB1 ALA 27 HB1 ALA 27 0.873 11.657 -2.449 222 HB2 ALA 27 HB2 ALA 27 0.201 12.328 -3.935 223 HB3 ALA 27 HB3 ALA 27 -0.395 10.786 -3.315 224 H ARG 28 H ARG 28 -0.379 12.987 0.228 225 HA ARG 28 HA ARG 28 -0.830 10.493 1.440 226 HB2 ARG 28 HB2 ARG 28 0.600 12.229 2.487 227 HB3 ARG 28 HB3 ARG 28 -0.825 13.210 2.824 228 HG2 ARG 28 HG2 ARG 28 -1.709 11.323 4.248 229 HG3 ARG 28 HG3 ARG 28 -0.181 10.479 4.005 230 HD2 ARG 28 HD2 ARG 28 1.024 12.202 5.186 231 HD3 ARG 28 HD3 ARG 28 -0.417 13.227 5.260 232 HE ARG 28 HE ARG 28 -0.769 10.639 6.484 233 HH11 ARG 28 HH11 ARG 28 0.301 13.876 7.079 234 HH12 ARG 28 HH12 ARG 28 0.033 13.753 8.778 235 HH21 ARG 28 HH21 ARG 28 -1.087 10.523 8.663 236 HH22 ARG 28 HH22 ARG 28 -0.748 11.895 9.658 237 H GLU 29 H GLU 29 -2.991 13.328 1.237 238 HA GLU 29 HA GLU 29 -4.914 12.483 3.102 239 HB2 GLU 29 HB2 GLU 29 -6.325 14.250 2.296 240 HB3 GLU 29 HB3 GLU 29 -4.669 14.817 2.251 241 HG2 GLU 29 HG2 GLU 29 -5.383 15.643 0.235 242 HG3 GLU 29 HG3 GLU 29 -4.830 14.061 -0.305 243 H ARG 30 H ARG 30 -4.541 11.697 -0.295 244 HA ARG 30 HA ARG 30 -6.991 10.332 -0.751 245 HB2 ARG 30 HB2 ARG 30 -5.432 11.137 -2.525 246 HB3 ARG 30 HB3 ARG 30 -4.252 9.927 -2.034 247 HG2 ARG 30 HG2 ARG 30 -5.855 8.137 -2.689 248 HG3 ARG 30 HG3 ARG 30 -6.988 9.380 -3.229 249 HD2 ARG 30 HD2 ARG 30 -4.223 8.825 -4.361 250 HD3 ARG 30 HD3 ARG 30 -5.772 8.502 -5.148 251 HE ARG 30 HE ARG 30 -5.613 11.244 -4.528 252 HH11 ARG 30 HH11 ARG 30 -4.176 8.996 -6.742 253 HH12 ARG 30 HH12 ARG 30 -3.872 10.222 -7.921 254 HH21 ARG 30 HH21 ARG 30 -5.162 12.770 -6.044 255 HH22 ARG 30 HH22 ARG 30 -4.404 12.314 -7.530 256 H ILE 31 H ILE 31 -3.751 9.219 0.260 257 HA ILE 31 HA ILE 31 -4.241 6.451 0.492 258 HB ILE 31 HB ILE 31 -2.271 8.026 2.232 259 HG12 ILE 31 HG12 ILE 31 -1.764 6.967 -0.582 260 HG13 ILE 31 HG13 ILE 31 -2.093 8.651 -0.217 261 HG21 ILE 31 HG21 ILE 31 -2.168 5.158 1.182 262 HG22 ILE 31 HG22 ILE 31 -2.536 5.636 2.839 263 HG23 ILE 31 HG23 ILE 31 -0.936 5.944 2.174 264 HD11 ILE 31 HD11 ILE 31 -0.040 8.770 1.097 265 HD12 ILE 31 HD12 ILE 31 0.262 8.261 -0.564 266 HD13 ILE 31 HD13 ILE 31 0.286 7.074 0.736 267 H GLU 32 H GLU 32 -4.796 9.100 2.800 268 HA GLU 32 HA GLU 32 -5.226 7.730 5.176 269 HB2 GLU 32 HB2 GLU 32 -6.713 10.205 4.197 270 HB3 GLU 32 HB3 GLU 32 -6.664 9.657 5.868 271 HG2 GLU 32 HG2 GLU 32 -4.281 10.617 4.250 272 HG3 GLU 32 HG3 GLU 32 -5.153 11.560 5.453 273 H LYS 33 H LYS 33 -7.642 8.369 2.574 274 HA LYS 33 HA LYS 33 -9.759 6.897 3.882 275 HB2 LYS 33 HB2 LYS 33 -9.529 7.645 0.933 276 HB3 LYS 33 HB3 LYS 33 -10.956 6.963 1.699 277 HG2 LYS 33 HG2 LYS 33 -11.505 9.212 1.566 278 HG3 LYS 33 HG3 LYS 33 -10.889 9.094 3.215 279 HD2 LYS 33 HD2 LYS 33 -8.755 10.039 2.534 280 HD3 LYS 33 HD3 LYS 33 -9.227 9.992 0.836 281 HE2 LYS 33 HE2 LYS 33 -11.016 11.663 1.319 282 HE3 LYS 33 HE3 LYS 33 -10.460 11.739 2.994 283 HZ1 LYS 33 HZ1 LYS 33 -9.544 13.540 1.690 284 HZ2 LYS 33 HZ2 LYS 33 -8.854 12.455 0.599 285 HZ3 LYS 33 HZ3 LYS 33 -8.308 12.506 2.199 286 H LEU 34 H LEU 34 -7.593 6.172 1.113 287 HA LEU 34 HA LEU 34 -8.843 3.779 0.356 288 HB2 LEU 34 HB2 LEU 34 -7.394 5.148 -1.120 289 HB3 LEU 34 HB3 LEU 34 -5.984 4.629 -0.210 290 HG LEU 34 HG LEU 34 -6.371 2.276 -0.948 291 HD11 LEU 34 HD11 LEU 34 -8.018 1.751 -2.716 292 HD12 LEU 34 HD12 LEU 34 -8.665 3.389 -2.601 293 HD13 LEU 34 HD13 LEU 34 -8.799 2.287 -1.230 294 HD21 LEU 34 HD21 LEU 34 -6.223 4.240 -3.264 295 HD22 LEU 34 HD22 LEU 34 -5.709 2.551 -3.302 296 HD23 LEU 34 HD23 LEU 34 -4.867 3.700 -2.269 297 H ALA 35 H ALA 35 -6.045 4.254 2.500 298 HA ALA 35 HA ALA 35 -5.225 1.576 2.795 299 HB1 ALA 35 HB1 ALA 35 -4.999 3.823 4.830 300 HB2 ALA 35 HB2 ALA 35 -3.856 3.494 3.527 301 HB3 ALA 35 HB3 ALA 35 -4.065 2.323 4.828 302 H LYS 36 H LYS 36 -7.718 3.441 4.530 303 HA LYS 36 HA LYS 36 -8.406 1.490 6.486 304 HB2 LYS 36 HB2 LYS 36 -9.042 3.884 6.685 305 HB3 LYS 36 HB3 LYS 36 -10.134 3.715 5.314 306 HG2 LYS 36 HG2 LYS 36 -11.454 2.029 6.632 307 HG3 LYS 36 HG3 LYS 36 -10.407 2.347 8.020 308 HD2 LYS 36 HD2 LYS 36 -11.146 4.713 8.032 309 HD3 LYS 36 HD3 LYS 36 -12.164 4.406 6.624 310 HE2 LYS 36 HE2 LYS 36 -13.462 2.748 7.981 311 HE3 LYS 36 HE3 LYS 36 -12.498 3.197 9.389 312 HZ1 LYS 36 HZ1 LYS 36 -13.346 5.434 9.234 313 HZ2 LYS 36 HZ2 LYS 36 -14.640 4.345 9.301 314 HZ3 LYS 36 HZ3 LYS 36 -14.207 5.057 7.832 315 H ASP 37 H ASP 37 -9.653 2.153 3.211 316 HA ASP 37 HA ASP 37 -11.714 0.191 3.201 317 HB2 ASP 37 HB2 ASP 37 -10.216 1.510 0.899 318 HB3 ASP 37 HB3 ASP 37 -11.611 0.452 0.679 319 H VAL 38 H VAL 38 -8.298 0.026 2.127 320 HA VAL 38 HA VAL 38 -8.356 -2.607 1.082 321 HB VAL 38 HB VAL 38 -5.969 -1.110 2.280 322 HG11 VAL 38 HG11 VAL 38 -5.473 -3.522 2.217 323 HG12 VAL 38 HG12 VAL 38 -4.519 -2.677 1.000 324 HG13 VAL 38 HG13 VAL 38 -5.944 -3.601 0.516 325 HG21 VAL 38 HG21 VAL 38 -6.827 -1.397 -0.632 326 HG22 VAL 38 HG22 VAL 38 -5.379 -0.565 -0.056 327 HG23 VAL 38 HG23 VAL 38 -6.974 0.061 0.354 328 H LYS 39 H LYS 39 -7.454 -1.436 4.366 329 HA LYS 39 HA LYS 39 -6.879 -4.008 5.437 330 HB2 LYS 39 HB2 LYS 39 -6.666 -2.968 7.577 331 HB3 LYS 39 HB3 LYS 39 -6.037 -1.839 6.388 332 HG2 LYS 39 HG2 LYS 39 -8.129 -0.525 6.531 333 HG3 LYS 39 HG3 LYS 39 -8.759 -1.661 7.725 334 HD2 LYS 39 HD2 LYS 39 -7.924 0.240 8.941 335 HD3 LYS 39 HD3 LYS 39 -6.786 -1.081 9.205 336 HE2 LYS 39 HE2 LYS 39 -5.455 -0.025 7.218 337 HE3 LYS 39 HE3 LYS 39 -6.437 1.409 7.524 338 HZ1 LYS 39 HZ1 LYS 39 -5.635 1.354 9.832 339 HZ2 LYS 39 HZ2 LYS 39 -4.381 1.542 8.717 340 HZ3 LYS 39 HZ3 LYS 39 -4.640 0.038 9.445 341 H ASP 40 H ASP 40 -9.869 -2.178 5.177 342 HA ASP 40 HA ASP 40 -11.526 -3.793 6.825 343 HB2 ASP 40 HB2 ASP 40 -12.193 -1.542 6.059 344 HB3 ASP 40 HB3 ASP 40 -12.237 -2.100 4.390 345 H GLU 41 H GLU 41 -10.834 -3.876 3.320 346 HA GLU 41 HA GLU 41 -12.425 -6.101 2.617 347 HB2 GLU 41 HB2 GLU 41 -9.948 -4.927 1.299 348 HB3 GLU 41 HB3 GLU 41 -10.955 -6.158 0.550 349 HG2 GLU 41 HG2 GLU 41 -11.990 -3.429 1.384 350 HG3 GLU 41 HG3 GLU 41 -11.384 -3.799 -0.226 351 H LEU 42 H LEU 42 -9.139 -5.932 3.931 352 HA LEU 42 HA LEU 42 -8.189 -8.511 3.435 353 HB2 LEU 42 HB2 LEU 42 -7.752 -6.826 5.929 354 HB3 LEU 42 HB3 LEU 42 -6.844 -8.281 5.555 355 HG LEU 42 HG LEU 42 -6.804 -5.701 3.947 356 HD11 LEU 42 HD11 LEU 42 -5.618 -5.509 6.088 357 HD12 LEU 42 HD12 LEU 42 -4.505 -5.446 4.725 358 HD13 LEU 42 HD13 LEU 42 -4.640 -6.923 5.684 359 HD21 LEU 42 HD21 LEU 42 -4.986 -6.721 2.620 360 HD22 LEU 42 HD22 LEU 42 -6.495 -7.607 2.436 361 HD23 LEU 42 HD23 LEU 42 -5.221 -8.253 3.471 362 H GLU 43 H GLU 43 -10.477 -7.462 5.912 363 HA GLU 43 HA GLU 43 -10.787 -10.235 6.933 364 HB2 GLU 43 HB2 GLU 43 -11.897 -9.176 8.911 365 HB3 GLU 43 HB3 GLU 43 -10.225 -8.669 8.696 366 HG2 GLU 43 HG2 GLU 43 -10.858 -6.512 7.896 367 HG3 GLU 43 HG3 GLU 43 -12.532 -7.005 7.660 368 H GLU 44 H GLU 44 -12.444 -7.802 5.083 369 HA GLU 44 HA GLU 44 -15.133 -8.769 5.619 370 HB2 GLU 44 HB2 GLU 44 -14.479 -6.330 5.032 371 HB3 GLU 44 HB3 GLU 44 -14.336 -6.865 3.369 372 HG2 GLU 44 HG2 GLU 44 -16.876 -7.024 5.032 373 HG3 GLU 44 HG3 GLU 44 -16.496 -5.725 3.910 374 H GLY 45 H GLY 45 -13.282 -8.482 2.537 375 HA2 GLY 45 HA2 GLY 45 -13.811 -11.201 1.747 376 HA3 GLY 45 HA3 GLY 45 -14.869 -10.055 0.937 377 H ASP 46 H ASP 46 -13.917 -8.530 -0.556 378 HA ASP 46 HA ASP 46 -11.963 -9.943 -2.144 379 HB2 ASP 46 HB2 ASP 46 -14.116 -8.869 -3.014 380 HB3 ASP 46 HB3 ASP 46 -13.338 -7.302 -2.811 381 H ALA 47 H ALA 47 -9.989 -9.726 -1.064 382 HA ALA 47 HA ALA 47 -8.926 -7.051 -0.394 383 HB1 ALA 47 HB1 ALA 47 -7.962 -9.813 0.436 384 HB2 ALA 47 HB2 ALA 47 -9.028 -8.767 1.375 385 HB3 ALA 47 HB3 ALA 47 -7.370 -8.267 1.053 386 H LYS 48 H LYS 48 -8.087 -9.923 -2.337 387 HA LYS 48 HA LYS 48 -5.370 -9.365 -2.815 388 HB2 LYS 48 HB2 LYS 48 -6.440 -11.577 -3.153 389 HB3 LYS 48 HB3 LYS 48 -7.314 -10.961 -4.540 390 HG2 LYS 48 HG2 LYS 48 -4.299 -10.847 -4.589 391 HG3 LYS 48 HG3 LYS 48 -5.079 -12.411 -4.807 392 HD2 LYS 48 HD2 LYS 48 -6.338 -11.521 -6.745 393 HD3 LYS 48 HD3 LYS 48 -5.580 -9.943 -6.519 394 HE2 LYS 48 HE2 LYS 48 -3.379 -10.903 -7.030 395 HE3 LYS 48 HE3 LYS 48 -4.091 -12.513 -7.180 396 HZ1 LYS 48 HZ1 LYS 48 -4.749 -10.178 -8.899 397 HZ2 LYS 48 HZ2 LYS 48 -5.378 -11.738 -9.056 398 HZ3 LYS 48 HZ3 LYS 48 -3.736 -11.460 -9.334 399 H ASN 49 H ASN 49 -8.250 -8.463 -4.715 400 HA ASN 49 HA ASN 49 -6.972 -7.071 -6.815 401 HB2 ASN 49 HB2 ASN 49 -9.316 -7.702 -6.982 402 HB3 ASN 49 HB3 ASN 49 -9.733 -6.731 -5.574 403 HD21 ASN 49 HD21 ASN 49 -9.949 -4.483 -5.829 404 HD22 ASN 49 HD22 ASN 49 -10.026 -3.736 -7.380 405 H MET 50 H MET 50 -8.074 -5.994 -3.618 406 HA MET 50 HA MET 50 -7.569 -3.215 -3.906 407 HB2 MET 50 HB2 MET 50 -7.712 -4.941 -1.403 408 HB3 MET 50 HB3 MET 50 -7.711 -3.178 -1.402 409 HG2 MET 50 HG2 MET 50 -9.801 -4.852 -2.806 410 HG3 MET 50 HG3 MET 50 -9.972 -4.221 -1.172 411 HE1 MET 50 HE1 MET 50 -8.757 -1.333 -1.234 412 HE2 MET 50 HE2 MET 50 -10.328 -1.740 -0.542 413 HE3 MET 50 HE3 MET 50 -10.184 -0.390 -1.670 414 H ILE 51 H ILE 51 -5.468 -5.890 -2.985 415 HA ILE 51 HA ILE 51 -3.185 -4.384 -2.175 416 HB ILE 51 HB ILE 51 -3.343 -7.165 -3.433 417 HG12 ILE 51 HG12 ILE 51 -3.147 -6.421 -0.467 418 HG13 ILE 51 HG13 ILE 51 -4.639 -6.883 -1.277 419 HG21 ILE 51 HG21 ILE 51 -1.105 -7.589 -2.440 420 HG22 ILE 51 HG22 ILE 51 -1.026 -5.913 -1.893 421 HG23 ILE 51 HG23 ILE 51 -1.053 -6.277 -3.619 422 HD11 ILE 51 HD11 ILE 51 -2.210 -8.626 -0.923 423 HD12 ILE 51 HD12 ILE 51 -3.702 -9.088 -1.746 424 HD13 ILE 51 HD13 ILE 51 -3.721 -8.726 -0.020 425 H GLU 52 H GLU 52 -4.183 -5.752 -5.330 426 HA GLU 52 HA GLU 52 -2.041 -4.821 -6.928 427 HB2 GLU 52 HB2 GLU 52 -4.931 -5.295 -7.795 428 HB3 GLU 52 HB3 GLU 52 -3.521 -5.262 -8.851 429 HG2 GLU 52 HG2 GLU 52 -2.640 -7.280 -7.717 430 HG3 GLU 52 HG3 GLU 52 -4.063 -7.315 -6.686 431 H LYS 53 H LYS 53 -5.110 -3.325 -6.012 432 HA LYS 53 HA LYS 53 -4.895 -1.075 -7.809 433 HB2 LYS 53 HB2 LYS 53 -6.822 -1.683 -5.536 434 HB3 LYS 53 HB3 LYS 53 -6.938 -0.232 -6.526 435 HG2 LYS 53 HG2 LYS 53 -7.184 -3.090 -7.529 436 HG3 LYS 53 HG3 LYS 53 -8.516 -1.955 -7.282 437 HD2 LYS 53 HD2 LYS 53 -7.614 -0.470 -9.025 438 HD3 LYS 53 HD3 LYS 53 -6.222 -1.532 -9.245 439 HE2 LYS 53 HE2 LYS 53 -7.726 -3.336 -10.024 440 HE3 LYS 53 HE3 LYS 53 -9.115 -2.271 -9.799 441 HZ1 LYS 53 HZ1 LYS 53 -6.855 -1.778 -11.661 442 HZ2 LYS 53 HZ2 LYS 53 -8.212 -0.789 -11.462 443 HZ3 LYS 53 HZ3 LYS 53 -8.388 -2.340 -12.109 444 H PHE 54 H PHE 54 -4.283 -1.619 -4.358 445 HA PHE 54 HA PHE 54 -3.666 1.100 -3.735 446 HB2 PHE 54 HB2 PHE 54 -4.295 -0.614 -1.993 447 HB3 PHE 54 HB3 PHE 54 -2.735 -1.394 -2.240 448 HD1 PHE 54 HD2 PHE 54 -4.411 1.664 -0.948 449 HD2 PHE 54 HD1 PHE 54 -0.695 -0.421 -1.300 450 HE1 PHE 54 HE2 PHE 54 -3.377 3.234 0.635 451 HE2 PHE 54 HE1 PHE 54 0.332 1.152 0.259 452 HZ PHE 54 HZ PHE 54 -0.991 2.989 1.225 453 H ARG 55 H ARG 55 -1.709 -1.699 -4.758 454 HA ARG 55 HA ARG 55 0.847 -0.522 -4.716 455 HB2 ARG 55 HB2 ARG 55 0.764 -2.889 -5.066 456 HB3 ARG 55 HB3 ARG 55 -0.382 -2.754 -6.388 457 HG2 ARG 55 HG2 ARG 55 1.823 -3.453 -7.203 458 HG3 ARG 55 HG3 ARG 55 1.380 -1.884 -7.865 459 HD2 ARG 55 HD2 ARG 55 2.816 -0.952 -5.847 460 HD3 ARG 55 HD3 ARG 55 3.523 -2.572 -5.859 461 HE ARG 55 HE ARG 55 3.435 -1.003 -8.355 462 HH11 ARG 55 HH11 ARG 55 5.344 -2.548 -5.955 463 HH12 ARG 55 HH12 ARG 55 6.825 -2.188 -6.760 464 HH21 ARG 55 HH21 ARG 55 5.351 -0.561 -9.356 465 HH22 ARG 55 HH22 ARG 55 6.834 -1.088 -8.639 466 H ASP 56 H ASP 56 -1.541 -0.686 -7.380 467 HA ASP 56 HA ASP 56 -0.099 0.742 -9.332 468 HB2 ASP 56 HB2 ASP 56 -2.015 -0.679 -9.891 469 HB3 ASP 56 HB3 ASP 56 -3.099 0.359 -8.971 470 H GLU 57 H GLU 57 -2.480 1.856 -6.936 471 HA GLU 57 HA GLU 57 -2.569 4.580 -7.701 472 HB2 GLU 57 HB2 GLU 57 -4.289 3.486 -6.262 473 HB3 GLU 57 HB3 GLU 57 -3.114 3.351 -4.960 474 HG2 GLU 57 HG2 GLU 57 -4.641 5.220 -4.563 475 HG3 GLU 57 HG3 GLU 57 -2.997 5.805 -4.790 476 H MET 58 H MET 58 -0.678 2.904 -5.157 477 HA MET 58 HA MET 58 0.920 5.053 -4.322 478 HB2 MET 58 HB2 MET 58 1.295 2.059 -4.213 479 HB3 MET 58 HB3 MET 58 2.624 3.109 -3.754 480 HG2 MET 58 HG2 MET 58 0.685 4.203 -2.234 481 HG3 MET 58 HG3 MET 58 0.092 2.542 -2.325 482 HE1 MET 58 HE1 MET 58 3.043 4.902 -1.247 483 HE2 MET 58 HE2 MET 58 3.777 3.879 -2.483 484 HE3 MET 58 HE3 MET 58 4.280 3.729 -0.800 485 H GLU 59 H GLU 59 1.223 3.024 -7.148 486 HA GLU 59 HA GLU 59 3.943 3.658 -7.753 487 HB2 GLU 59 HB2 GLU 59 2.589 1.649 -8.547 488 HB3 GLU 59 HB3 GLU 59 1.790 2.725 -9.687 489 HG2 GLU 59 HG2 GLU 59 3.947 3.184 -10.783 490 HG3 GLU 59 HG3 GLU 59 4.774 2.147 -9.618 491 H GLN 60 H GLN 60 0.810 5.080 -8.621 492 HA GLN 60 HA GLN 60 1.859 7.211 -10.239 493 HB2 GLN 60 HB2 GLN 60 -0.451 6.648 -10.544 494 HB3 GLN 60 HB3 GLN 60 -0.798 6.769 -8.822 495 HG2 GLN 60 HG2 GLN 60 -0.560 9.190 -8.891 496 HG3 GLN 60 HG3 GLN 60 -0.047 9.135 -10.574 497 HE21 GLN 60 HE21 GLN 60 -2.770 8.572 -8.421 498 HE22 GLN 60 HE22 GLN 60 -3.992 8.805 -9.617 499 H MET 61 H MET 61 0.819 7.026 -6.814 500 HA MET 61 HA MET 61 1.378 9.728 -6.141 501 HB2 MET 61 HB2 MET 61 1.064 7.293 -4.345 502 HB3 MET 61 HB3 MET 61 1.130 8.955 -3.765 503 HG2 MET 61 HG2 MET 61 -0.913 9.481 -5.071 504 HG3 MET 61 HG3 MET 61 -0.995 7.799 -5.598 505 HE1 MET 61 HE1 MET 61 -1.393 5.750 -3.878 506 HE2 MET 61 HE2 MET 61 -1.676 5.976 -2.153 507 HE3 MET 61 HE3 MET 61 -0.084 6.306 -2.834 508 H TYR 62 H TYR 62 3.401 6.932 -6.311 509 HA TYR 62 HA TYR 62 5.713 7.817 -4.943 510 HB2 TYR 62 HB2 TYR 62 5.544 5.499 -5.615 511 HB3 TYR 62 HB3 TYR 62 5.289 5.931 -7.301 512 HD1 TYR 62 HD1 TYR 62 7.887 6.222 -4.592 513 HD2 TYR 62 HD2 TYR 62 7.137 5.816 -8.781 514 HE1 TYR 62 HE1 TYR 62 10.286 5.990 -5.000 515 HE2 TYR 62 HE2 TYR 62 9.546 5.584 -9.184 516 HH TYR 62 HH TYR 62 11.729 4.880 -6.843 517 H LYS 63 H LYS 63 4.505 8.342 -8.212 518 HA LYS 63 HA LYS 63 6.823 9.712 -9.231 519 HB2 LYS 63 HB2 LYS 63 3.972 9.633 -10.292 520 HB3 LYS 63 HB3 LYS 63 5.371 10.236 -11.181 521 HG2 LYS 63 HG2 LYS 63 6.371 7.997 -11.198 522 HG3 LYS 63 HG3 LYS 63 5.050 7.376 -10.203 523 HD2 LYS 63 HD2 LYS 63 4.725 6.766 -12.572 524 HD3 LYS 63 HD3 LYS 63 3.439 7.837 -12.012 525 HE2 LYS 63 HE2 LYS 63 4.576 9.754 -13.095 526 HE3 LYS 63 HE3 LYS 63 5.849 8.674 -13.663 527 HZ1 LYS 63 HZ1 LYS 63 2.980 8.481 -14.401 528 HZ2 LYS 63 HZ2 LYS 63 4.227 7.498 -14.987 529 HZ3 LYS 63 HZ3 LYS 63 4.198 9.147 -15.366 530 H ASP 64 H ASP 64 3.905 10.763 -7.538 531 HA ASP 64 HA ASP 64 4.016 13.540 -7.988 532 HB2 ASP 64 HB2 ASP 64 3.031 11.942 -5.589 533 HB3 ASP 64 HB3 ASP 64 2.883 13.692 -5.673 534 H ALA 65 H ALA 65 5.624 11.589 -5.459 535 HA ALA 65 HA ALA 65 7.890 13.419 -5.419 536 HB1 ALA 65 HB1 ALA 65 6.428 14.435 -3.708 537 HB2 ALA 65 HB2 ALA 65 7.894 13.775 -2.983 538 HB3 ALA 65 HB3 ALA 65 6.370 12.898 -2.838 539 HA PRO 66 HA PRO 66 9.329 9.021 -4.992 540 HB2 PRO 66 HB2 PRO 66 11.666 10.006 -6.545 541 HB3 PRO 66 HB3 PRO 66 10.566 8.674 -6.909 542 HG2 PRO 66 HG2 PRO 66 10.529 10.977 -8.339 543 HG3 PRO 66 HG3 PRO 66 9.044 10.052 -8.017 544 HD2 PRO 66 HD2 PRO 66 10.081 12.522 -6.607 545 HD3 PRO 66 HD3 PRO 66 8.430 12.158 -7.168 546 H ASN 67 H ASN 67 9.561 9.532 -2.736 547 HA ASN 67 HA ASN 67 11.840 11.085 -1.769 548 HB2 ASN 67 HB2 ASN 67 9.551 9.734 -0.276 549 HB3 ASN 67 HB3 ASN 67 10.746 10.798 0.461 550 HD21 ASN 67 HD21 ASN 67 7.827 11.107 0.295 551 HD22 ASN 67 HD22 ASN 67 7.558 12.616 -0.494 552 H ALA 68 H ALA 68 12.368 8.414 -3.012 553 HA ALA 68 HA ALA 68 13.772 6.676 -2.849 554 HB1 ALA 68 HB1 ALA 68 14.681 7.848 -0.206 555 HB2 ALA 68 HB2 ALA 68 15.323 8.273 -1.793 556 HB3 ALA 68 HB3 ALA 68 15.541 6.639 -1.163 557 H VAL 69 H VAL 69 12.798 7.019 0.606 558 HA VAL 69 HA VAL 69 12.301 4.291 1.099 559 HB VAL 69 HB VAL 69 11.102 5.042 3.144 560 HG11 VAL 69 HG11 VAL 69 13.559 4.953 3.179 561 HG12 VAL 69 HG12 VAL 69 12.977 6.275 4.192 562 HG13 VAL 69 HG13 VAL 69 13.647 6.618 2.595 563 HG21 VAL 69 HG21 VAL 69 10.837 7.466 3.632 564 HG22 VAL 69 HG22 VAL 69 9.879 6.981 2.234 565 HG23 VAL 69 HG23 VAL 69 11.393 7.856 2.001 566 H MET 70 H MET 70 10.279 6.723 -0.396 567 HA MET 70 HA MET 70 7.729 5.552 -0.230 568 HB2 MET 70 HB2 MET 70 8.285 7.880 -1.074 569 HB3 MET 70 HB3 MET 70 8.834 7.161 -2.581 570 HG2 MET 70 HG2 MET 70 6.611 8.030 -2.906 571 HG3 MET 70 HG3 MET 70 6.514 6.268 -2.930 572 HE1 MET 70 HE1 MET 70 3.077 7.485 -1.276 573 HE2 MET 70 HE2 MET 70 3.785 6.609 -2.635 574 HE3 MET 70 HE3 MET 70 3.990 8.357 -2.511 575 H GLU 71 H GLU 71 10.444 4.898 -2.415 576 HA GLU 71 HA GLU 71 9.171 3.102 -4.227 577 HB2 GLU 71 HB2 GLU 71 11.327 4.193 -4.751 578 HB3 GLU 71 HB3 GLU 71 12.105 3.342 -3.424 579 HG2 GLU 71 HG2 GLU 71 12.734 2.299 -5.517 580 HG3 GLU 71 HG3 GLU 71 11.727 1.182 -4.603 581 H GLN 72 H GLN 72 10.849 2.593 -1.128 582 HA GLN 72 HA GLN 72 11.033 -0.217 -1.141 583 HB2 GLN 72 HB2 GLN 72 10.691 1.609 1.276 584 HB3 GLN 72 HB3 GLN 72 11.264 -0.057 1.327 585 HG2 GLN 72 HG2 GLN 72 13.235 0.634 -0.069 586 HG3 GLN 72 HG3 GLN 72 12.680 2.303 0.047 587 HE21 GLN 72 HE21 GLN 72 14.004 -0.398 1.836 588 HE22 GLN 72 HE22 GLN 72 14.515 0.511 3.214 589 H LEU 73 H LEU 73 8.451 1.933 -0.080 590 HA LEU 73 HA LEU 73 6.626 0.104 1.005 591 HB2 LEU 73 HB2 LEU 73 6.053 2.645 -0.558 592 HB3 LEU 73 HB3 LEU 73 4.930 1.837 0.525 593 HG LEU 73 HG LEU 73 7.571 3.040 1.443 594 HD11 LEU 73 HD11 LEU 73 6.158 4.842 0.595 595 HD12 LEU 73 HD12 LEU 73 6.260 4.919 2.353 596 HD13 LEU 73 HD13 LEU 73 4.807 4.280 1.583 597 HD21 LEU 73 HD21 LEU 73 5.171 2.091 3.054 598 HD22 LEU 73 HD22 LEU 73 6.633 2.831 3.709 599 HD23 LEU 73 HD23 LEU 73 6.724 1.258 2.922 600 H LEU 74 H LEU 74 6.796 1.374 -2.368 601 HA LEU 74 HA LEU 74 4.869 -0.200 -3.621 602 HB2 LEU 74 HB2 LEU 74 7.449 1.037 -4.611 603 HB3 LEU 74 HB3 LEU 74 6.577 -0.052 -5.672 604 HG LEU 74 HG LEU 74 4.576 1.467 -5.527 605 HD11 LEU 74 HD11 LEU 74 6.467 3.360 -4.107 606 HD12 LEU 74 HD12 LEU 74 5.054 2.575 -3.397 607 HD13 LEU 74 HD13 LEU 74 4.846 3.752 -4.692 608 HD21 LEU 74 HD21 LEU 74 5.496 3.170 -7.055 609 HD22 LEU 74 HD22 LEU 74 6.117 1.566 -7.436 610 HD23 LEU 74 HD23 LEU 74 7.138 2.724 -6.579 611 H GLU 75 H GLU 75 8.305 -0.934 -3.137 612 HA GLU 75 HA GLU 75 8.506 -3.315 -4.584 613 HB2 GLU 75 HB2 GLU 75 10.446 -1.984 -3.919 614 HB3 GLU 75 HB3 GLU 75 10.133 -2.311 -2.218 615 HG2 GLU 75 HG2 GLU 75 10.641 -4.697 -2.570 616 HG3 GLU 75 HG3 GLU 75 10.908 -4.400 -4.288 617 H GLU 76 H GLU 76 7.858 -2.824 -1.105 618 HA GLU 76 HA GLU 76 7.832 -5.562 -0.383 619 HB2 GLU 76 HB2 GLU 76 6.532 -3.183 0.997 620 HB3 GLU 76 HB3 GLU 76 6.657 -4.793 1.699 621 HG2 GLU 76 HG2 GLU 76 9.170 -4.605 1.503 622 HG3 GLU 76 HG3 GLU 76 8.947 -2.931 1.005 623 H ILE 77 H ILE 77 5.237 -3.418 -1.575 624 HA ILE 77 HA ILE 77 3.095 -5.318 -1.189 625 HB ILE 77 HB ILE 77 3.142 -2.973 -3.158 626 HG12 ILE 77 HG12 ILE 77 2.092 -2.933 -0.284 627 HG13 ILE 77 HG13 ILE 77 3.641 -2.266 -0.775 628 HG21 ILE 77 HG21 ILE 77 0.779 -4.430 -1.882 629 HG22 ILE 77 HG22 ILE 77 1.292 -4.563 -3.564 630 HG23 ILE 77 HG23 ILE 77 0.664 -3.032 -2.959 631 HD11 ILE 77 HD11 ILE 77 0.942 -1.320 -1.731 632 HD12 ILE 77 HD12 ILE 77 2.504 -0.642 -2.204 633 HD13 ILE 77 HD13 ILE 77 1.966 -0.534 -0.528 634 H GLU 78 H GLU 78 5.497 -4.766 -3.704 635 HA GLU 78 HA GLU 78 4.110 -6.085 -5.864 636 HB2 GLU 78 HB2 GLU 78 5.935 -4.265 -6.013 637 HB3 GLU 78 HB3 GLU 78 7.102 -5.526 -5.674 638 HG2 GLU 78 HG2 GLU 78 5.220 -5.774 -8.032 639 HG3 GLU 78 HG3 GLU 78 6.655 -4.770 -8.143 640 H LYS 79 H LYS 79 6.881 -6.943 -3.790 641 HA LYS 79 HA LYS 79 7.217 -9.650 -4.444 642 HB2 LYS 79 HB2 LYS 79 7.884 -7.932 -2.046 643 HB3 LYS 79 HB3 LYS 79 8.065 -9.674 -1.882 644 HG2 LYS 79 HG2 LYS 79 10.178 -8.599 -2.448 645 HG3 LYS 79 HG3 LYS 79 9.674 -9.736 -3.685 646 HD2 LYS 79 HD2 LYS 79 8.685 -7.197 -4.539 647 HD3 LYS 79 HD3 LYS 79 10.308 -6.888 -3.930 648 HE2 LYS 79 HE2 LYS 79 11.142 -8.738 -5.427 649 HE3 LYS 79 HE3 LYS 79 9.518 -8.851 -6.106 650 HZ1 LYS 79 HZ1 LYS 79 10.940 -7.501 -7.472 651 HZ2 LYS 79 HZ2 LYS 79 11.274 -6.461 -6.185 652 HZ3 LYS 79 HZ3 LYS 79 9.708 -6.549 -6.818 653 H LEU 80 H LEU 80 5.158 -8.127 -1.983 654 HA LEU 80 HA LEU 80 4.015 -10.420 -0.807 655 HB2 LEU 80 HB2 LEU 80 3.953 -8.092 0.084 656 HB3 LEU 80 HB3 LEU 80 2.812 -7.640 -1.160 657 HG LEU 80 HG LEU 80 2.104 -9.800 0.867 658 HD11 LEU 80 HD11 LEU 80 2.842 -7.849 2.170 659 HD12 LEU 80 HD12 LEU 80 1.106 -8.092 2.320 660 HD13 LEU 80 HD13 LEU 80 1.728 -6.812 1.275 661 HD21 LEU 80 HD21 LEU 80 0.360 -7.840 -0.686 662 HD22 LEU 80 HD22 LEU 80 -0.217 -9.062 0.450 663 HD23 LEU 80 HD23 LEU 80 0.563 -9.557 -1.048 664 H LEU 81 H LEU 81 3.075 -8.520 -3.653 665 HA LEU 81 HA LEU 81 0.521 -9.646 -4.066 666 HB2 LEU 81 HB2 LEU 81 1.248 -7.457 -4.977 667 HB3 LEU 81 HB3 LEU 81 2.321 -8.282 -6.098 668 HG LEU 81 HG LEU 81 0.398 -9.282 -7.268 669 HD11 LEU 81 HD11 LEU 81 -1.925 -8.740 -6.672 670 HD12 LEU 81 HD12 LEU 81 -1.372 -7.834 -5.264 671 HD13 LEU 81 HD13 LEU 81 -1.121 -9.579 -5.347 672 HD21 LEU 81 HD21 LEU 81 0.037 -6.287 -6.879 673 HD22 LEU 81 HD22 LEU 81 -0.602 -7.235 -8.224 674 HD23 LEU 81 HD23 LEU 81 1.139 -7.064 -8.022 675 H LYS 82 H LYS 82 3.705 -10.661 -5.146 676 HA LYS 82 HA LYS 82 2.984 -12.561 -7.115 677 HB2 LYS 82 HB2 LYS 82 5.367 -12.663 -5.216 678 HB3 LYS 82 HB3 LYS 82 5.221 -13.531 -6.735 679 HG2 LYS 82 HG2 LYS 82 5.362 -10.501 -6.496 680 HG3 LYS 82 HG3 LYS 82 6.734 -11.545 -6.841 681 HD2 LYS 82 HD2 LYS 82 6.155 -10.785 -8.988 682 HD3 LYS 82 HD3 LYS 82 5.327 -12.338 -8.918 683 HE2 LYS 82 HE2 LYS 82 3.902 -10.602 -9.935 684 HE3 LYS 82 HE3 LYS 82 3.200 -11.181 -8.427 685 HZ1 LYS 82 HZ1 LYS 82 4.751 -8.677 -8.752 686 HZ2 LYS 82 HZ2 LYS 82 4.045 -9.219 -7.319 687 HZ3 LYS 82 HZ3 LYS 82 3.070 -8.784 -8.631 688 H LYS 83 H LYS 83 3.480 -12.896 -3.611 689 HA LYS 83 HA LYS 83 2.596 -15.625 -3.419 690 HB2 LYS 83 HB2 LYS 83 2.910 -13.494 -1.265 691 HB3 LYS 83 HB3 LYS 83 2.651 -15.213 -0.966 692 HG2 LYS 83 HG2 LYS 83 4.790 -15.718 -2.148 693 HG3 LYS 83 HG3 LYS 83 5.064 -13.985 -2.344 694 HD2 LYS 83 HD2 LYS 83 5.156 -13.705 0.104 695 HD3 LYS 83 HD3 LYS 83 4.814 -15.424 0.327 696 HE2 LYS 83 HE2 LYS 83 6.943 -15.971 -0.858 697 HE3 LYS 83 HE3 LYS 83 7.290 -14.246 -0.988 698 HZ1 LYS 83 HZ1 LYS 83 7.323 -14.112 1.420 699 HZ2 LYS 83 HZ2 LYS 83 8.437 -15.256 0.875 700 HZ3 LYS 83 HZ3 LYS 83 6.972 -15.756 1.547 701 H ALA 84 H ALA 84 0.972 -12.506 -3.269 702 HA ALA 84 HA ALA 84 -1.446 -13.373 -1.996 703 HB1 ALA 84 HB1 ALA 84 -2.330 -11.153 -2.562 704 HB2 ALA 84 HB2 ALA 84 -0.959 -10.855 -3.633 705 HB3 ALA 84 HB3 ALA 84 -0.701 -11.018 -1.896 706 H GLY 85 H GLY 85 -2.387 -15.062 -3.058 707 HA2 GLY 85 HA2 GLY 85 -4.040 -14.516 -5.340 708 HA3 GLY 85 HA3 GLY 85 -2.708 -15.602 -5.737 709 H SER 86 H SER 86 -4.006 -17.403 -6.110 710 HA SER 86 HA SER 86 -4.920 -18.878 -3.784 711 HB2 SER 86 HB2 SER 86 -7.221 -19.288 -4.737 712 HB3 SER 86 HB3 SER 86 -6.956 -17.618 -4.234 713 HG SER 86 HG SER 86 -7.421 -17.061 -6.194 714 H LEU 87 H LEU 87 -5.363 -21.122 -4.224 715 HA LEU 87 HA LEU 87 -4.882 -23.173 -5.044 716 HB2 LEU 87 HB2 LEU 87 -6.375 -22.276 -6.919 717 HB3 LEU 87 HB3 LEU 87 -4.911 -21.932 -7.818 718 HG LEU 87 HG LEU 87 -4.365 -24.374 -7.830 719 HD11 LEU 87 HD11 LEU 87 -5.496 -25.062 -5.777 720 HD12 LEU 87 HD12 LEU 87 -6.035 -26.039 -7.139 721 HD13 LEU 87 HD13 LEU 87 -7.073 -24.754 -6.511 722 HD21 LEU 87 HD21 LEU 87 -7.107 -23.727 -8.972 723 HD22 LEU 87 HD22 LEU 87 -6.076 -25.073 -9.461 724 HD23 LEU 87 HD23 LEU 87 -5.551 -23.418 -9.750 725 H VAL 88 H VAL 88 -2.687 -21.046 -4.639 726 HA VAL 88 HA VAL 88 -0.508 -21.960 -6.353 727 HB VAL 88 HB VAL 88 0.835 -20.139 -5.275 728 HG11 VAL 88 HG11 VAL 88 -1.839 -19.210 -6.391 729 HG12 VAL 88 HG12 VAL 88 -0.414 -19.654 -7.332 730 HG13 VAL 88 HG13 VAL 88 -0.369 -18.230 -6.291 731 HG21 VAL 88 HG21 VAL 88 -0.235 -20.072 -3.047 732 HG22 VAL 88 HG22 VAL 88 -1.726 -19.455 -3.762 733 HG23 VAL 88 HG23 VAL 88 -0.258 -18.475 -3.794 734 HA PRO 89 HA PRO 89 1.165 -24.642 -3.039 735 HB2 PRO 89 HB2 PRO 89 3.484 -25.403 -4.257 736 HB3 PRO 89 HB3 PRO 89 1.910 -26.045 -4.743 737 HG2 PRO 89 HG2 PRO 89 3.537 -23.852 -6.022 738 HG3 PRO 89 HG3 PRO 89 2.664 -25.193 -6.797 739 HD2 PRO 89 HD2 PRO 89 1.645 -22.641 -6.621 740 HD3 PRO 89 HD3 PRO 89 0.618 -24.090 -6.682 741 H ARG 90 H ARG 90 2.091 -23.874 -1.218 742 HA ARG 90 HA ARG 90 3.787 -21.513 -1.181 743 HB2 ARG 90 HB2 ARG 90 3.685 -21.743 1.279 744 HB3 ARG 90 HB3 ARG 90 2.084 -21.817 0.555 745 HG2 ARG 90 HG2 ARG 90 2.093 -24.291 0.799 746 HG3 ARG 90 HG3 ARG 90 3.688 -24.202 1.549 747 HD2 ARG 90 HD2 ARG 90 2.729 -22.842 3.390 748 HD3 ARG 90 HD3 ARG 90 1.133 -22.973 2.642 749 HE ARG 90 HE ARG 90 1.838 -25.551 2.935 750 HH11 ARG 90 HH11 ARG 90 1.847 -22.954 5.218 751 HH12 ARG 90 HH12 ARG 90 1.559 -24.002 6.558 752 HH21 ARG 90 HH21 ARG 90 1.494 -26.849 4.678 753 HH22 ARG 90 HH22 ARG 90 1.385 -26.167 6.261 754 H GLY 91 H GLY 91 5.680 -21.826 0.725 755 HA2 GLY 91 HA2 GLY 91 7.716 -22.864 1.278 756 HA3 GLY 91 HA3 GLY 91 7.430 -24.099 0.060 757 H SER 92 H SER 92 6.802 -21.168 -1.374 758 HA SER 92 HA SER 92 9.362 -21.073 -2.778 759 HB2 SER 92 HB2 SER 92 6.802 -19.463 -3.208 760 HB3 SER 92 HB3 SER 92 8.212 -19.442 -4.267 761 HG SER 92 HG SER 92 6.177 -21.229 -4.145 762 H TYR 93 H TYR 93 10.701 -20.330 -1.061 763 HA TYR 93 HA TYR 93 10.218 -17.751 0.219 764 HB2 TYR 93 HB2 TYR 93 12.638 -19.598 0.415 765 HB3 TYR 93 HB3 TYR 93 12.326 -18.203 1.442 766 HD1 TYR 93 HD1 TYR 93 10.224 -18.249 2.952 767 HD2 TYR 93 HD2 TYR 93 11.748 -21.741 1.003 768 HE1 TYR 93 HE1 TYR 93 8.983 -19.677 4.521 769 HE2 TYR 93 HE2 TYR 93 10.508 -23.157 2.573 770 HH TYR 93 HH TYR 93 8.078 -21.969 4.603 771 H LEU 94 H LEU 94 12.941 -19.079 -1.701 772 HA LEU 94 HA LEU 94 13.598 -16.370 -2.723 773 HB2 LEU 94 HB2 LEU 94 15.907 -16.611 -2.232 774 HB3 LEU 94 HB3 LEU 94 15.068 -17.091 -0.771 775 HG LEU 94 HG LEU 94 16.392 -18.973 -2.770 776 HD11 LEU 94 HD11 LEU 94 18.024 -17.715 -1.459 777 HD12 LEU 94 HD12 LEU 94 18.042 -19.422 -1.026 778 HD13 LEU 94 HD13 LEU 94 17.260 -18.250 0.041 779 HD21 LEU 94 HD21 LEU 94 15.964 -20.799 -1.177 780 HD22 LEU 94 HD22 LEU 94 14.462 -20.088 -1.760 781 HD23 LEU 94 HD23 LEU 94 15.050 -19.693 -0.145 782 H GLU 95 H GLU 95 12.552 -19.275 -3.686 783 HA GLU 95 HA GLU 95 14.101 -19.273 -6.215 784 HB2 GLU 95 HB2 GLU 95 14.494 -21.249 -4.505 785 HB3 GLU 95 HB3 GLU 95 12.944 -21.842 -5.072 786 HG2 GLU 95 HG2 GLU 95 15.395 -21.361 -6.807 787 HG3 GLU 95 HG3 GLU 95 14.867 -22.921 -6.202 788 H HIS 96 H HIS 96 12.749 -18.408 -7.641 789 HA HIS 96 HA HIS 96 10.341 -19.941 -8.351 790 HB2 HIS 96 HB2 HIS 96 9.425 -17.976 -7.162 791 HB3 HIS 96 HB3 HIS 96 10.399 -16.890 -8.152 792 HD1 HIS 96 HD1 HIS 96 7.935 -19.691 -9.034 793 HD2 HIS 96 HD2 HIS 96 8.739 -15.733 -10.002 794 HE1 HIS 96 HE1 HIS 96 6.253 -19.071 -10.773 795 HE2 HIS 96 HE2 HIS 96 6.634 -16.631 -11.199 796 H HIS 97 H HIS 97 11.133 -20.810 -10.193 797 HA HIS 97 HA HIS 97 13.175 -19.719 -11.800 798 HB2 HIS 97 HB2 HIS 97 12.534 -22.161 -11.577 799 HB3 HIS 97 HB3 HIS 97 11.158 -21.851 -12.628 800 HD1 HIS 97 HD1 HIS 97 12.784 -23.910 -13.765 801 HD2 HIS 97 HD2 HIS 97 13.968 -19.963 -14.257 802 HE1 HIS 97 HE1 HIS 97 14.283 -23.899 -15.763 803 HE2 HIS 97 HE2 HIS 97 15.136 -21.546 -15.916 804 H HIS 98 H HIS 98 13.151 -18.327 -13.461 805 HA HIS 98 HA HIS 98 11.074 -16.572 -14.016 806 HB2 HIS 98 HB2 HIS 98 13.481 -16.094 -14.324 807 HB3 HIS 98 HB3 HIS 98 13.550 -17.202 -15.682 808 HD1 HIS 98 HD1 HIS 98 12.226 -13.811 -14.710 809 HD2 HIS 98 HD2 HIS 98 12.756 -16.115 -18.125 810 HE1 HIS 98 HE1 HIS 98 11.792 -12.272 -16.636 811 HE2 HIS 98 HE2 HIS 98 12.255 -13.647 -18.681 812 H HIS 99 H HIS 99 9.159 -17.435 -14.702 813 HA HIS 99 HA HIS 99 8.973 -18.498 -17.450 814 HB2 HIS 99 HB2 HIS 99 7.623 -19.749 -15.011 815 HB3 HIS 99 HB3 HIS 99 7.211 -20.142 -16.677 816 HD1 HIS 99 HD1 HIS 99 9.709 -20.761 -18.034 817 HD2 HIS 99 HD2 HIS 99 9.168 -21.762 -14.051 818 HE1 HIS 99 HE1 HIS 99 11.331 -22.607 -17.590 819 HE2 HIS 99 HE2 HIS 99 10.735 -23.401 -15.281 820 H HIS 100 H HIS 100 6.668 -18.473 -18.245 821 HA HIS 100 HA HIS 100 4.989 -16.339 -17.023 822 HB2 HIS 100 HB2 HIS 100 5.330 -17.027 -19.976 823 HB3 HIS 100 HB3 HIS 100 4.116 -15.908 -19.362 824 HD1 HIS 100 HD1 HIS 100 6.791 -15.438 -21.268 825 HD2 HIS 100 HD2 HIS 100 6.054 -14.094 -17.412 826 HE1 HIS 100 HE1 HIS 100 8.203 -13.400 -20.988 827 HE2 HIS 100 HE2 HIS 100 7.547 -12.475 -18.749 828 H HIS 101 H HIS 101 2.654 -16.571 -17.472 829 HA HIS 101 HA HIS 101 1.650 -19.235 -18.235 830 HB2 HIS 101 HB2 HIS 101 0.998 -17.783 -15.629 831 HB3 HIS 101 HB3 HIS 101 -0.073 -19.013 -16.294 832 HD1 HIS 101 HD1 HIS 101 2.737 -18.653 -14.050 833 HD2 HIS 101 HD2 HIS 101 1.356 -21.610 -16.620 834 HE1 HIS 101 HE1 HIS 101 3.858 -20.769 -13.313 835 HE2 HIS 101 HE2 HIS 101 2.897 -22.565 -14.786 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -9.416 -18.822 9.808 2 H2 MET 1 H2 MET 1 -8.568 -19.244 11.206 3 H3 MET 1 H3 MET 1 -8.846 -20.404 10.009 4 HA MET 1 HA MET 1 -7.476 -19.207 8.460 5 HB2 MET 1 HB2 MET 1 -7.895 -16.947 9.345 6 HB3 MET 1 HB3 MET 1 -6.988 -17.317 10.806 7 HG2 MET 1 HG2 MET 1 -4.928 -17.492 9.508 8 HG3 MET 1 HG3 MET 1 -5.825 -17.245 8.009 9 HE1 MET 1 HE1 MET 1 -7.919 -14.917 8.993 10 HE2 MET 1 HE2 MET 1 -7.096 -14.908 7.431 11 HE3 MET 1 HE3 MET 1 -7.018 -13.491 8.477 12 H GLN 2 H GLN 2 -5.549 -20.260 8.190 13 HA GLN 2 HA GLN 2 -4.153 -21.445 10.498 14 HB2 GLN 2 HB2 GLN 2 -5.998 -22.989 9.913 15 HB3 GLN 2 HB3 GLN 2 -5.429 -23.065 8.251 16 HG2 GLN 2 HG2 GLN 2 -3.355 -24.172 9.004 17 HG3 GLN 2 HG3 GLN 2 -3.905 -24.079 10.679 18 HE21 GLN 2 HE21 GLN 2 -3.270 -26.447 9.082 19 HE22 GLN 2 HE22 GLN 2 -4.689 -27.423 9.072 20 H GLU 3 H GLU 3 -4.278 -21.282 6.896 21 HA GLU 3 HA GLU 3 -1.433 -21.960 6.721 22 HB2 GLU 3 HB2 GLU 3 -3.108 -23.063 5.228 23 HB3 GLU 3 HB3 GLU 3 -3.443 -21.509 4.481 24 HG2 GLU 3 HG2 GLU 3 -1.966 -22.883 3.076 25 HG3 GLU 3 HG3 GLU 3 -1.166 -21.400 3.586 26 H GLU 4 H GLU 4 -1.024 -19.820 7.873 27 HA GLU 4 HA GLU 4 0.244 -17.964 7.878 28 HB2 GLU 4 HB2 GLU 4 1.538 -19.511 6.359 29 HB3 GLU 4 HB3 GLU 4 0.878 -18.643 4.983 30 HG2 GLU 4 HG2 GLU 4 2.083 -16.635 5.573 31 HG3 GLU 4 HG3 GLU 4 2.530 -17.295 7.144 32 H ARG 5 H ARG 5 -2.619 -17.707 6.557 33 HA ARG 5 HA ARG 5 -2.656 -15.577 4.735 34 HB2 ARG 5 HB2 ARG 5 -4.755 -16.370 6.784 35 HB3 ARG 5 HB3 ARG 5 -5.046 -15.271 5.446 36 HG2 ARG 5 HG2 ARG 5 -4.262 -18.192 5.165 37 HG3 ARG 5 HG3 ARG 5 -5.900 -17.552 5.012 38 HD2 ARG 5 HD2 ARG 5 -5.115 -16.128 3.112 39 HD3 ARG 5 HD3 ARG 5 -3.537 -16.915 3.221 40 HE ARG 5 HE ARG 5 -4.996 -19.053 2.876 41 HH11 ARG 5 HH11 ARG 5 -5.447 -16.014 1.280 42 HH12 ARG 5 HH12 ARG 5 -6.181 -16.743 -0.100 43 HH21 ARG 5 HH21 ARG 5 -5.957 -19.937 1.092 44 HH22 ARG 5 HH22 ARG 5 -6.477 -18.917 -0.201 45 H LYS 6 H LYS 6 -2.453 -15.523 8.238 46 HA LYS 6 HA LYS 6 -2.833 -12.846 8.829 47 HB2 LYS 6 HB2 LYS 6 -1.040 -14.959 10.056 48 HB3 LYS 6 HB3 LYS 6 -1.066 -13.324 10.704 49 HG2 LYS 6 HG2 LYS 6 -3.459 -15.177 10.511 50 HG3 LYS 6 HG3 LYS 6 -2.527 -14.834 11.971 51 HD2 LYS 6 HD2 LYS 6 -3.163 -12.428 11.792 52 HD3 LYS 6 HD3 LYS 6 -4.134 -12.803 10.367 53 HE2 LYS 6 HE2 LYS 6 -5.597 -14.240 11.709 54 HE3 LYS 6 HE3 LYS 6 -4.598 -13.953 13.137 55 HZ1 LYS 6 HZ1 LYS 6 -6.136 -11.892 11.654 56 HZ2 LYS 6 HZ2 LYS 6 -5.169 -11.605 13.006 57 HZ3 LYS 6 HZ3 LYS 6 -6.559 -12.555 13.150 58 H LYS 7 H LYS 7 0.269 -14.397 7.836 59 HA LYS 7 HA LYS 7 1.895 -12.119 8.120 60 HB2 LYS 7 HB2 LYS 7 2.207 -14.676 6.543 61 HB3 LYS 7 HB3 LYS 7 3.377 -13.378 6.314 62 HG2 LYS 7 HG2 LYS 7 4.224 -14.971 7.941 63 HG3 LYS 7 HG3 LYS 7 3.916 -13.418 8.718 64 HD2 LYS 7 HD2 LYS 7 1.754 -14.333 9.593 65 HD3 LYS 7 HD3 LYS 7 2.160 -15.899 8.887 66 HE2 LYS 7 HE2 LYS 7 3.785 -14.461 11.012 67 HE3 LYS 7 HE3 LYS 7 2.657 -15.782 11.313 68 HZ1 LYS 7 HZ1 LYS 7 4.034 -17.225 9.963 69 HZ2 LYS 7 HZ2 LYS 7 4.937 -16.551 11.223 70 HZ3 LYS 7 HZ3 LYS 7 5.109 -15.958 9.650 71 H LEU 8 H LEU 8 -0.184 -13.022 5.432 72 HA LEU 8 HA LEU 8 0.695 -11.115 3.536 73 HB2 LEU 8 HB2 LEU 8 -2.009 -12.434 3.967 74 HB3 LEU 8 HB3 LEU 8 -1.753 -11.268 2.683 75 HG LEU 8 HG LEU 8 -1.580 -13.413 1.669 76 HD11 LEU 8 HD11 LEU 8 0.085 -11.780 0.922 77 HD12 LEU 8 HD12 LEU 8 0.675 -13.431 0.768 78 HD13 LEU 8 HD13 LEU 8 1.248 -12.414 2.093 79 HD21 LEU 8 HD21 LEU 8 -1.252 -14.814 3.653 80 HD22 LEU 8 HD22 LEU 8 0.409 -14.243 3.810 81 HD23 LEU 8 HD23 LEU 8 -0.066 -15.208 2.409 82 H LEU 9 H LEU 9 -1.988 -10.880 5.935 83 HA LEU 9 HA LEU 9 -2.528 -8.132 5.219 84 HB2 LEU 9 HB2 LEU 9 -4.281 -8.229 6.999 85 HB3 LEU 9 HB3 LEU 9 -4.414 -9.447 5.754 86 HG LEU 9 HG LEU 9 -3.105 -10.936 7.596 87 HD11 LEU 9 HD11 LEU 9 -2.905 -9.181 9.279 88 HD12 LEU 9 HD12 LEU 9 -3.910 -10.501 9.868 89 HD13 LEU 9 HD13 LEU 9 -4.660 -8.996 9.328 90 HD21 LEU 9 HD21 LEU 9 -6.098 -10.469 7.628 91 HD22 LEU 9 HD22 LEU 9 -5.263 -11.871 8.300 92 HD23 LEU 9 HD23 LEU 9 -5.219 -11.571 6.565 93 H GLU 10 H GLU 10 -1.021 -9.658 8.097 94 HA GLU 10 HA GLU 10 -0.695 -7.447 9.748 95 HB2 GLU 10 HB2 GLU 10 1.198 -9.817 9.422 96 HB3 GLU 10 HB3 GLU 10 1.256 -8.670 10.758 97 HG2 GLU 10 HG2 GLU 10 -0.983 -9.409 11.498 98 HG3 GLU 10 HG3 GLU 10 -1.058 -10.538 10.147 99 H LYS 11 H LYS 11 1.596 -8.726 7.308 100 HA LYS 11 HA LYS 11 3.500 -6.617 7.650 101 HB2 LYS 11 HB2 LYS 11 4.196 -8.834 6.861 102 HB3 LYS 11 HB3 LYS 11 3.222 -8.660 5.404 103 HG2 LYS 11 HG2 LYS 11 4.644 -6.949 4.522 104 HG3 LYS 11 HG3 LYS 11 5.481 -6.742 6.067 105 HD2 LYS 11 HD2 LYS 11 6.437 -9.045 5.831 106 HD3 LYS 11 HD3 LYS 11 5.642 -9.194 4.259 107 HE2 LYS 11 HE2 LYS 11 8.030 -8.595 4.038 108 HE3 LYS 11 HE3 LYS 11 6.981 -7.339 3.380 109 HZ1 LYS 11 HZ1 LYS 11 8.787 -6.408 4.685 110 HZ2 LYS 11 HZ2 LYS 11 8.282 -7.270 6.053 111 HZ3 LYS 11 HZ3 LYS 11 7.296 -6.064 5.402 112 H LEU 12 H LEU 12 0.810 -7.144 5.343 113 HA LEU 12 HA LEU 12 1.459 -5.040 3.569 114 HB2 LEU 12 HB2 LEU 12 -0.203 -6.849 3.068 115 HB3 LEU 12 HB3 LEU 12 -1.327 -6.079 4.178 116 HG LEU 12 HG LEU 12 -1.247 -4.003 2.709 117 HD11 LEU 12 HD11 LEU 12 -0.368 -4.189 0.421 118 HD12 LEU 12 HD12 LEU 12 0.246 -5.806 0.773 119 HD13 LEU 12 HD13 LEU 12 0.918 -4.406 1.613 120 HD21 LEU 12 HD21 LEU 12 -2.735 -4.896 0.961 121 HD22 LEU 12 HD22 LEU 12 -3.128 -5.567 2.542 122 HD23 LEU 12 HD23 LEU 12 -2.239 -6.541 1.367 123 H GLU 13 H GLU 13 -0.824 -5.067 6.320 124 HA GLU 13 HA GLU 13 -1.542 -2.331 6.293 125 HB2 GLU 13 HB2 GLU 13 -1.519 -4.301 8.612 126 HB3 GLU 13 HB3 GLU 13 -2.384 -2.767 8.593 127 HG2 GLU 13 HG2 GLU 13 -3.912 -3.539 6.906 128 HG3 GLU 13 HG3 GLU 13 -2.941 -4.976 6.588 129 H LYS 14 H LYS 14 1.170 -4.034 7.816 130 HA LYS 14 HA LYS 14 2.308 -1.920 9.319 131 HB2 LYS 14 HB2 LYS 14 3.021 -4.267 9.531 132 HB3 LYS 14 HB3 LYS 14 3.632 -4.260 7.884 133 HG2 LYS 14 HG2 LYS 14 5.345 -2.565 8.564 134 HG3 LYS 14 HG3 LYS 14 4.763 -2.692 10.230 135 HD2 LYS 14 HD2 LYS 14 5.356 -5.105 10.253 136 HD3 LYS 14 HD3 LYS 14 5.924 -4.981 8.583 137 HE2 LYS 14 HE2 LYS 14 7.817 -4.935 10.119 138 HE3 LYS 14 HE3 LYS 14 7.666 -3.373 9.313 139 HZ1 LYS 14 HZ1 LYS 14 8.119 -3.165 11.691 140 HZ2 LYS 14 HZ2 LYS 14 6.683 -3.981 12.051 141 HZ3 LYS 14 HZ3 LYS 14 6.631 -2.478 11.284 142 H ILE 15 H ILE 15 2.818 -2.911 5.914 143 HA ILE 15 HA ILE 15 4.589 -0.887 5.072 144 HB ILE 15 HB ILE 15 2.425 -2.289 3.429 145 HG12 ILE 15 HG12 ILE 15 5.387 -3.014 3.503 146 HG13 ILE 15 HG13 ILE 15 4.198 -3.775 4.553 147 HG21 ILE 15 HG21 ILE 15 4.861 -0.752 2.436 148 HG22 ILE 15 HG22 ILE 15 3.173 -0.270 2.255 149 HG23 ILE 15 HG23 ILE 15 3.772 -1.701 1.420 150 HD11 ILE 15 HD11 ILE 15 2.991 -4.606 2.600 151 HD12 ILE 15 HD12 ILE 15 4.671 -5.141 2.618 152 HD13 ILE 15 HD13 ILE 15 4.178 -3.837 1.540 153 H LEU 16 H LEU 16 1.002 -1.010 4.957 154 HA LEU 16 HA LEU 16 0.393 1.467 3.838 155 HB2 LEU 16 HB2 LEU 16 -1.054 -0.406 5.709 156 HB3 LEU 16 HB3 LEU 16 -1.747 1.182 5.461 157 HG LEU 16 HG LEU 16 -2.166 0.759 3.125 158 HD11 LEU 16 HD11 LEU 16 -0.699 -1.881 3.348 159 HD12 LEU 16 HD12 LEU 16 -0.098 -0.440 2.531 160 HD13 LEU 16 HD13 LEU 16 -1.533 -1.258 1.924 161 HD21 LEU 16 HD21 LEU 16 -3.696 -1.169 3.209 162 HD22 LEU 16 HD22 LEU 16 -3.819 -0.198 4.675 163 HD23 LEU 16 HD23 LEU 16 -2.932 -1.725 4.703 164 H ASP 17 H ASP 17 1.019 0.695 7.264 165 HA ASP 17 HA ASP 17 0.662 3.307 8.341 166 HB2 ASP 17 HB2 ASP 17 0.688 1.268 9.739 167 HB3 ASP 17 HB3 ASP 17 2.377 0.983 9.340 168 H GLU 18 H GLU 18 3.508 1.613 7.050 169 HA GLU 18 HA GLU 18 5.389 3.739 7.491 170 HB2 GLU 18 HB2 GLU 18 5.531 1.281 5.707 171 HB3 GLU 18 HB3 GLU 18 6.883 2.375 5.984 172 HG2 GLU 18 HG2 GLU 18 6.841 1.817 8.391 173 HG3 GLU 18 HG3 GLU 18 5.493 0.717 8.107 174 H VAL 19 H VAL 19 3.041 3.149 4.969 175 HA VAL 19 HA VAL 19 4.254 4.871 2.979 176 HB VAL 19 HB VAL 19 1.338 3.925 3.122 177 HG11 VAL 19 HG11 VAL 19 1.208 4.502 0.722 178 HG12 VAL 19 HG12 VAL 19 2.850 5.149 0.787 179 HG13 VAL 19 HG13 VAL 19 1.567 5.910 1.713 180 HG21 VAL 19 HG21 VAL 19 3.591 2.791 1.428 181 HG22 VAL 19 HG22 VAL 19 1.920 2.224 1.467 182 HG23 VAL 19 HG23 VAL 19 2.946 2.038 2.882 183 H THR 20 H THR 20 1.655 5.236 5.453 184 HA THR 20 HA THR 20 1.150 8.023 5.042 185 HB THR 20 HB THR 20 0.105 8.053 7.279 186 HG1 THR 20 HG1 THR 20 0.347 5.553 8.111 187 HG21 THR 20 HG21 THR 20 -0.520 5.435 5.862 188 HG22 THR 20 HG22 THR 20 -1.234 7.006 5.486 189 HG23 THR 20 HG23 THR 20 -1.553 6.244 7.045 190 H ASP 21 H ASP 21 3.442 6.256 7.070 191 HA ASP 21 HA ASP 21 4.663 8.413 8.449 192 HB2 ASP 21 HB2 ASP 21 4.825 6.026 9.126 193 HB3 ASP 21 HB3 ASP 21 5.762 5.668 7.685 194 H GLY 22 H GLY 22 5.485 6.750 5.408 195 HA2 GLY 22 HA2 GLY 22 7.653 8.636 4.757 196 HA3 GLY 22 HA3 GLY 22 7.269 7.145 3.911 197 H ALA 23 H ALA 23 4.627 9.240 4.640 198 HA ALA 23 HA ALA 23 3.987 9.719 1.887 199 HB1 ALA 23 HB1 ALA 23 2.252 9.362 3.584 200 HB2 ALA 23 HB2 ALA 23 2.032 10.917 2.781 201 HB3 ALA 23 HB3 ALA 23 2.728 10.852 4.403 202 HA PRO 24 HA PRO 24 5.909 13.906 1.739 203 HB2 PRO 24 HB2 PRO 24 5.313 14.541 -0.820 204 HB3 PRO 24 HB3 PRO 24 6.516 13.304 -0.438 205 HG2 PRO 24 HG2 PRO 24 3.641 12.952 -1.264 206 HG3 PRO 24 HG3 PRO 24 5.078 12.073 -1.828 207 HD2 PRO 24 HD2 PRO 24 3.350 11.126 0.118 208 HD3 PRO 24 HD3 PRO 24 5.052 10.633 -0.015 209 H ASP 25 H ASP 25 3.714 13.872 3.280 210 HA ASP 25 HA ASP 25 2.069 15.056 4.205 211 HB2 ASP 25 HB2 ASP 25 3.212 17.203 2.390 212 HB3 ASP 25 HB3 ASP 25 1.914 17.547 3.532 213 H GLU 26 H GLU 26 1.674 16.426 0.899 214 HA GLU 26 HA GLU 26 -1.128 16.614 1.137 215 HB2 GLU 26 HB2 GLU 26 -1.113 17.286 -1.239 216 HB3 GLU 26 HB3 GLU 26 0.134 18.112 -0.315 217 HG2 GLU 26 HG2 GLU 26 1.829 16.507 -1.230 218 HG3 GLU 26 HG3 GLU 26 0.557 15.777 -2.210 219 H ALA 27 H ALA 27 0.878 14.078 -0.261 220 HA ALA 27 HA ALA 27 -1.209 12.668 -1.640 221 HB1 ALA 27 HB1 ALA 27 0.492 10.927 -2.001 222 HB2 ALA 27 HB2 ALA 27 1.563 11.715 -0.841 223 HB3 ALA 27 HB3 ALA 27 1.145 12.528 -2.349 224 H ARG 28 H ARG 28 -0.456 12.860 1.675 225 HA ARG 28 HA ARG 28 -0.793 10.175 2.506 226 HB2 ARG 28 HB2 ARG 28 0.319 12.006 3.848 227 HB3 ARG 28 HB3 ARG 28 -1.281 12.641 4.214 228 HG2 ARG 28 HG2 ARG 28 -1.868 10.553 5.377 229 HG3 ARG 28 HG3 ARG 28 -0.299 9.858 4.961 230 HD2 ARG 28 HD2 ARG 28 -0.288 10.636 7.274 231 HD3 ARG 28 HD3 ARG 28 0.821 11.618 6.311 232 HE ARG 28 HE ARG 28 -1.908 12.499 7.059 233 HH11 ARG 28 HH11 ARG 28 1.461 13.237 6.701 234 HH12 ARG 28 HH12 ARG 28 1.258 14.863 7.246 235 HH21 ARG 28 HH21 ARG 28 -2.114 14.594 7.750 236 HH22 ARG 28 HH22 ARG 28 -0.724 15.622 7.812 237 H GLU 29 H GLU 29 -3.120 12.710 1.881 238 HA GLU 29 HA GLU 29 -5.368 11.684 3.249 239 HB2 GLU 29 HB2 GLU 29 -5.299 13.376 0.720 240 HB3 GLU 29 HB3 GLU 29 -6.693 13.170 1.779 241 HG2 GLU 29 HG2 GLU 29 -5.500 14.283 3.618 242 HG3 GLU 29 HG3 GLU 29 -4.061 14.439 2.613 243 H ARG 30 H ARG 30 -4.158 11.007 -0.055 244 HA ARG 30 HA ARG 30 -6.168 9.212 -0.927 245 HB2 ARG 30 HB2 ARG 30 -3.192 9.387 -1.581 246 HB3 ARG 30 HB3 ARG 30 -4.229 8.178 -2.330 247 HG2 ARG 30 HG2 ARG 30 -4.679 11.169 -2.532 248 HG3 ARG 30 HG3 ARG 30 -3.861 10.193 -3.751 249 HD2 ARG 30 HD2 ARG 30 -5.890 8.901 -4.145 250 HD3 ARG 30 HD3 ARG 30 -6.717 9.729 -2.822 251 HE ARG 30 HE ARG 30 -6.253 11.812 -4.286 252 HH11 ARG 30 HH11 ARG 30 -6.923 8.714 -5.663 253 HH12 ARG 30 HH12 ARG 30 -7.877 9.384 -6.938 254 HH21 ARG 30 HH21 ARG 30 -7.470 12.634 -5.931 255 HH22 ARG 30 HH22 ARG 30 -8.193 11.565 -7.082 256 H ILE 31 H ILE 31 -3.271 8.720 1.030 257 HA ILE 31 HA ILE 31 -3.324 5.873 1.061 258 HB ILE 31 HB ILE 31 -1.971 7.623 3.178 259 HG12 ILE 31 HG12 ILE 31 -0.746 6.792 0.510 260 HG13 ILE 31 HG13 ILE 31 -1.465 8.372 0.787 261 HG21 ILE 31 HG21 ILE 31 -1.264 4.861 2.080 262 HG22 ILE 31 HG22 ILE 31 -1.987 5.193 3.656 263 HG23 ILE 31 HG23 ILE 31 -0.351 5.746 3.306 264 HD11 ILE 31 HD11 ILE 31 0.194 8.820 2.521 265 HD12 ILE 31 HD12 ILE 31 0.931 8.464 0.961 266 HD13 ILE 31 HD13 ILE 31 0.921 7.238 2.226 267 H GLU 32 H GLU 32 -4.568 8.335 3.341 268 HA GLU 32 HA GLU 32 -5.298 6.680 5.489 269 HB2 GLU 32 HB2 GLU 32 -6.604 9.287 4.591 270 HB3 GLU 32 HB3 GLU 32 -6.851 8.531 6.158 271 HG2 GLU 32 HG2 GLU 32 -4.259 9.686 5.112 272 HG3 GLU 32 HG3 GLU 32 -5.309 10.410 6.326 273 H LYS 33 H LYS 33 -7.293 7.832 2.747 274 HA LYS 33 HA LYS 33 -9.677 6.460 3.489 275 HB2 LYS 33 HB2 LYS 33 -9.663 8.459 2.000 276 HB3 LYS 33 HB3 LYS 33 -8.845 7.525 0.751 277 HG2 LYS 33 HG2 LYS 33 -11.215 7.693 0.215 278 HG3 LYS 33 HG3 LYS 33 -10.818 6.016 0.597 279 HD2 LYS 33 HD2 LYS 33 -11.696 6.442 2.948 280 HD3 LYS 33 HD3 LYS 33 -12.254 8.019 2.386 281 HE2 LYS 33 HE2 LYS 33 -13.160 5.314 1.342 282 HE3 LYS 33 HE3 LYS 33 -14.089 6.398 2.374 283 HZ1 LYS 33 HZ1 LYS 33 -14.061 8.031 0.573 284 HZ2 LYS 33 HZ2 LYS 33 -14.802 6.586 0.117 285 HZ3 LYS 33 HZ3 LYS 33 -13.237 6.932 -0.413 286 H LEU 34 H LEU 34 -7.177 5.719 1.030 287 HA LEU 34 HA LEU 34 -8.417 3.390 0.003 288 HB2 LEU 34 HB2 LEU 34 -6.786 4.721 -1.250 289 HB3 LEU 34 HB3 LEU 34 -5.518 4.259 -0.127 290 HG LEU 34 HG LEU 34 -5.664 1.907 -0.905 291 HD11 LEU 34 HD11 LEU 34 -7.013 1.269 -2.857 292 HD12 LEU 34 HD12 LEU 34 -7.754 2.871 -2.885 293 HD13 LEU 34 HD13 LEU 34 -8.038 1.789 -1.519 294 HD21 LEU 34 HD21 LEU 34 -4.092 3.419 -2.010 295 HD22 LEU 34 HD22 LEU 34 -5.332 3.891 -3.176 296 HD23 LEU 34 HD23 LEU 34 -4.724 2.235 -3.152 297 H ALA 35 H ALA 35 -6.006 3.789 2.587 298 HA ALA 35 HA ALA 35 -5.477 1.030 3.060 299 HB1 ALA 35 HB1 ALA 35 -5.327 3.340 5.032 300 HB2 ALA 35 HB2 ALA 35 -4.039 2.836 3.936 301 HB3 ALA 35 HB3 ALA 35 -4.573 1.754 5.223 302 H LYS 36 H LYS 36 -8.031 3.208 4.168 303 HA LYS 36 HA LYS 36 -9.269 1.417 6.045 304 HB2 LYS 36 HB2 LYS 36 -9.537 3.920 6.049 305 HB3 LYS 36 HB3 LYS 36 -10.489 3.796 4.574 306 HG2 LYS 36 HG2 LYS 36 -12.231 2.538 5.761 307 HG3 LYS 36 HG3 LYS 36 -11.257 2.537 7.236 308 HD2 LYS 36 HD2 LYS 36 -11.374 5.057 7.247 309 HD3 LYS 36 HD3 LYS 36 -12.467 4.975 5.863 310 HE2 LYS 36 HE2 LYS 36 -14.116 3.749 7.211 311 HE3 LYS 36 HE3 LYS 36 -13.010 3.741 8.587 312 HZ1 LYS 36 HZ1 LYS 36 -14.622 5.474 8.862 313 HZ2 LYS 36 HZ2 LYS 36 -14.263 6.134 7.350 314 HZ3 LYS 36 HZ3 LYS 36 -13.112 6.189 8.588 315 H ASP 37 H ASP 37 -9.714 2.091 2.563 316 HA ASP 37 HA ASP 37 -11.888 0.369 2.039 317 HB2 ASP 37 HB2 ASP 37 -9.580 1.276 0.264 318 HB3 ASP 37 HB3 ASP 37 -10.893 0.269 -0.339 319 H VAL 38 H VAL 38 -8.368 -0.276 2.107 320 HA VAL 38 HA VAL 38 -8.396 -2.981 1.315 321 HB VAL 38 HB VAL 38 -6.393 -1.600 3.177 322 HG11 VAL 38 HG11 VAL 38 -6.212 -4.039 3.437 323 HG12 VAL 38 HG12 VAL 38 -4.798 -3.414 2.591 324 HG13 VAL 38 HG13 VAL 38 -6.071 -4.243 1.690 325 HG21 VAL 38 HG21 VAL 38 -6.220 -2.088 0.172 326 HG22 VAL 38 HG22 VAL 38 -4.967 -1.347 1.173 327 HG23 VAL 38 HG23 VAL 38 -6.514 -0.535 0.954 328 H LYS 39 H LYS 39 -8.708 -1.531 4.562 329 HA LYS 39 HA LYS 39 -8.559 -3.725 6.242 330 HB2 LYS 39 HB2 LYS 39 -10.215 -1.189 6.428 331 HB3 LYS 39 HB3 LYS 39 -10.187 -2.355 7.741 332 HG2 LYS 39 HG2 LYS 39 -7.706 -0.985 6.660 333 HG3 LYS 39 HG3 LYS 39 -8.650 -0.384 8.027 334 HD2 LYS 39 HD2 LYS 39 -8.224 -2.515 9.241 335 HD3 LYS 39 HD3 LYS 39 -7.240 -3.081 7.888 336 HE2 LYS 39 HE2 LYS 39 -5.615 -1.313 8.267 337 HE3 LYS 39 HE3 LYS 39 -6.638 -0.583 9.506 338 HZ1 LYS 39 HZ1 LYS 39 -6.330 -2.521 10.884 339 HZ2 LYS 39 HZ2 LYS 39 -4.824 -1.895 10.455 340 HZ3 LYS 39 HZ3 LYS 39 -5.413 -3.281 9.687 341 H ASP 40 H ASP 40 -11.617 -2.436 4.843 342 HA ASP 40 HA ASP 40 -13.273 -4.512 5.904 343 HB2 ASP 40 HB2 ASP 40 -13.781 -2.486 3.684 344 HB3 ASP 40 HB3 ASP 40 -15.018 -3.554 4.341 345 H GLU 41 H GLU 41 -11.547 -4.181 2.846 346 HA GLU 41 HA GLU 41 -12.769 -6.402 1.510 347 HB2 GLU 41 HB2 GLU 41 -10.139 -4.965 1.037 348 HB3 GLU 41 HB3 GLU 41 -10.797 -6.185 -0.047 349 HG2 GLU 41 HG2 GLU 41 -12.271 -3.626 0.655 350 HG3 GLU 41 HG3 GLU 41 -11.185 -3.772 -0.719 351 H LEU 42 H LEU 42 -10.022 -6.124 3.708 352 HA LEU 42 HA LEU 42 -9.042 -8.793 3.521 353 HB2 LEU 42 HB2 LEU 42 -8.995 -6.825 5.839 354 HB3 LEU 42 HB3 LEU 42 -8.123 -8.349 5.840 355 HG LEU 42 HG LEU 42 -7.612 -6.124 3.827 356 HD11 LEU 42 HD11 LEU 42 -6.028 -6.738 6.337 357 HD12 LEU 42 HD12 LEU 42 -7.065 -5.330 6.084 358 HD13 LEU 42 HD13 LEU 42 -5.619 -5.543 5.100 359 HD21 LEU 42 HD21 LEU 42 -5.548 -7.321 3.308 360 HD22 LEU 42 HD22 LEU 42 -6.939 -8.368 3.047 361 HD23 LEU 42 HD23 LEU 42 -5.945 -8.576 4.488 362 H GLU 43 H GLU 43 -11.719 -7.320 5.264 363 HA GLU 43 HA GLU 43 -12.260 -9.553 7.008 364 HB2 GLU 43 HB2 GLU 43 -13.886 -7.052 6.408 365 HB3 GLU 43 HB3 GLU 43 -14.274 -8.210 7.675 366 HG2 GLU 43 HG2 GLU 43 -11.782 -6.486 7.529 367 HG3 GLU 43 HG3 GLU 43 -13.164 -6.219 8.587 368 H GLU 44 H GLU 44 -13.916 -8.233 4.085 369 HA GLU 44 HA GLU 44 -15.362 -10.764 3.712 370 HB2 GLU 44 HB2 GLU 44 -17.586 -9.669 3.673 371 HB3 GLU 44 HB3 GLU 44 -16.810 -9.534 5.246 372 HG2 GLU 44 HG2 GLU 44 -16.138 -7.194 4.690 373 HG3 GLU 44 HG3 GLU 44 -17.006 -7.331 3.162 374 H GLY 45 H GLY 45 -13.850 -8.092 2.270 375 HA2 GLY 45 HA2 GLY 45 -15.259 -8.334 -0.314 376 HA3 GLY 45 HA3 GLY 45 -14.009 -7.174 0.102 377 H ASP 46 H ASP 46 -12.769 -7.596 -1.784 378 HA ASP 46 HA ASP 46 -11.369 -10.220 -1.847 379 HB2 ASP 46 HB2 ASP 46 -12.765 -9.763 -3.886 380 HB3 ASP 46 HB3 ASP 46 -11.802 -8.325 -4.204 381 H ALA 47 H ALA 47 -9.544 -9.898 -0.732 382 HA ALA 47 HA ALA 47 -8.190 -7.385 -0.463 383 HB1 ALA 47 HB1 ALA 47 -7.332 -10.169 0.405 384 HB2 ALA 47 HB2 ALA 47 -8.305 -9.043 1.354 385 HB3 ALA 47 HB3 ALA 47 -6.633 -8.644 0.960 386 H LYS 48 H LYS 48 -7.675 -10.221 -2.497 387 HA LYS 48 HA LYS 48 -4.998 -9.979 -3.272 388 HB2 LYS 48 HB2 LYS 48 -6.437 -11.910 -3.846 389 HB3 LYS 48 HB3 LYS 48 -7.393 -10.897 -4.916 390 HG2 LYS 48 HG2 LYS 48 -5.052 -10.520 -6.143 391 HG3 LYS 48 HG3 LYS 48 -4.629 -12.027 -5.330 392 HD2 LYS 48 HD2 LYS 48 -5.458 -12.490 -7.599 393 HD3 LYS 48 HD3 LYS 48 -6.584 -13.144 -6.405 394 HE2 LYS 48 HE2 LYS 48 -8.022 -11.132 -6.697 395 HE3 LYS 48 HE3 LYS 48 -6.903 -10.526 -7.920 396 HZ1 LYS 48 HZ1 LYS 48 -8.451 -13.060 -8.104 397 HZ2 LYS 48 HZ2 LYS 48 -7.412 -12.445 -9.287 398 HZ3 LYS 48 HZ3 LYS 48 -8.831 -11.615 -8.896 399 H ASN 49 H ASN 49 -7.893 -8.656 -4.890 400 HA ASN 49 HA ASN 49 -6.599 -7.120 -6.868 401 HB2 ASN 49 HB2 ASN 49 -9.038 -7.780 -6.862 402 HB3 ASN 49 HB3 ASN 49 -9.330 -6.566 -5.624 403 HD21 ASN 49 HD21 ASN 49 -7.267 -6.325 -8.530 404 HD22 ASN 49 HD22 ASN 49 -8.157 -5.036 -9.253 405 H MET 50 H MET 50 -7.391 -6.395 -3.506 406 HA MET 50 HA MET 50 -7.062 -3.560 -3.667 407 HB2 MET 50 HB2 MET 50 -7.103 -5.453 -1.299 408 HB3 MET 50 HB3 MET 50 -7.015 -3.694 -1.144 409 HG2 MET 50 HG2 MET 50 -9.233 -5.245 -2.487 410 HG3 MET 50 HG3 MET 50 -9.299 -4.468 -0.907 411 HE1 MET 50 HE1 MET 50 -7.729 -1.722 -1.438 412 HE2 MET 50 HE2 MET 50 -9.235 -1.857 -0.528 413 HE3 MET 50 HE3 MET 50 -9.092 -0.671 -1.827 414 H ILE 51 H ILE 51 -4.755 -6.157 -3.131 415 HA ILE 51 HA ILE 51 -2.630 -4.477 -2.155 416 HB ILE 51 HB ILE 51 -2.315 -7.139 -3.628 417 HG12 ILE 51 HG12 ILE 51 -2.699 -6.661 -0.635 418 HG13 ILE 51 HG13 ILE 51 -3.898 -7.358 -1.710 419 HG21 ILE 51 HG21 ILE 51 -0.191 -7.315 -2.344 420 HG22 ILE 51 HG22 ILE 51 -0.483 -5.725 -1.638 421 HG23 ILE 51 HG23 ILE 51 -0.204 -5.881 -3.373 422 HD11 ILE 51 HD11 ILE 51 -2.438 -9.270 -2.099 423 HD12 ILE 51 HD12 ILE 51 -2.825 -9.053 -0.393 424 HD13 ILE 51 HD13 ILE 51 -1.241 -8.574 -1.002 425 H GLU 52 H GLU 52 -3.533 -5.678 -5.435 426 HA GLU 52 HA GLU 52 -1.453 -4.228 -6.810 427 HB2 GLU 52 HB2 GLU 52 -2.466 -4.963 -8.876 428 HB3 GLU 52 HB3 GLU 52 -2.528 -6.306 -7.743 429 HG2 GLU 52 HG2 GLU 52 -4.909 -5.768 -7.289 430 HG3 GLU 52 HG3 GLU 52 -4.831 -4.494 -8.503 431 H LYS 53 H LYS 53 -4.750 -3.456 -5.832 432 HA LYS 53 HA LYS 53 -5.055 -1.040 -7.378 433 HB2 LYS 53 HB2 LYS 53 -6.537 -2.140 -4.959 434 HB3 LYS 53 HB3 LYS 53 -6.918 -0.554 -5.612 435 HG2 LYS 53 HG2 LYS 53 -7.098 -3.146 -7.177 436 HG3 LYS 53 HG3 LYS 53 -8.457 -2.348 -6.385 437 HD2 LYS 53 HD2 LYS 53 -8.086 -0.342 -7.837 438 HD3 LYS 53 HD3 LYS 53 -6.791 -1.210 -8.669 439 HE2 LYS 53 HE2 LYS 53 -8.908 -1.288 -9.941 440 HE3 LYS 53 HE3 LYS 53 -8.399 -2.902 -9.443 441 HZ1 LYS 53 HZ1 LYS 53 -9.993 -2.780 -7.610 442 HZ2 LYS 53 HZ2 LYS 53 -10.759 -2.595 -9.107 443 HZ3 LYS 53 HZ3 LYS 53 -10.487 -1.244 -8.125 444 H PHE 54 H PHE 54 -4.040 -1.741 -4.036 445 HA PHE 54 HA PHE 54 -3.588 0.948 -3.266 446 HB2 PHE 54 HB2 PHE 54 -3.773 -0.960 -1.602 447 HB3 PHE 54 HB3 PHE 54 -2.171 -1.498 -2.104 448 HD1 PHE 54 HD2 PHE 54 -4.036 1.174 -0.319 449 HD2 PHE 54 HD1 PHE 54 -0.156 -0.262 -1.396 450 HE1 PHE 54 HE2 PHE 54 -3.005 2.792 1.229 451 HE2 PHE 54 HE1 PHE 54 0.865 1.365 0.144 452 HZ PHE 54 HZ PHE 54 -0.553 2.896 1.445 453 H ARG 55 H ARG 55 -1.417 -1.591 -4.554 454 HA ARG 55 HA ARG 55 0.958 -0.122 -4.762 455 HB2 ARG 55 HB2 ARG 55 0.973 -2.531 -5.095 456 HB3 ARG 55 HB3 ARG 55 -0.113 -2.406 -6.470 457 HG2 ARG 55 HG2 ARG 55 2.149 -2.908 -7.231 458 HG3 ARG 55 HG3 ARG 55 1.675 -1.307 -7.788 459 HD2 ARG 55 HD2 ARG 55 2.982 -0.371 -5.795 460 HD3 ARG 55 HD3 ARG 55 3.611 -2.004 -5.551 461 HE ARG 55 HE ARG 55 4.039 -0.363 -7.988 462 HH11 ARG 55 HH11 ARG 55 5.192 -2.855 -5.881 463 HH12 ARG 55 HH12 ARG 55 6.703 -2.970 -6.708 464 HH21 ARG 55 HH21 ARG 55 5.971 -0.563 -9.005 465 HH22 ARG 55 HH22 ARG 55 7.140 -1.711 -8.432 466 H ASP 56 H ASP 56 -1.850 -0.185 -6.946 467 HA ASP 56 HA ASP 56 -0.629 1.125 -9.159 468 HB2 ASP 56 HB2 ASP 56 -2.712 -0.270 -9.274 469 HB3 ASP 56 HB3 ASP 56 -3.592 1.016 -8.456 470 H GLU 57 H GLU 57 -2.871 2.406 -6.636 471 HA GLU 57 HA GLU 57 -2.707 5.151 -7.351 472 HB2 GLU 57 HB2 GLU 57 -4.481 4.247 -5.869 473 HB3 GLU 57 HB3 GLU 57 -3.284 3.904 -4.631 474 HG2 GLU 57 HG2 GLU 57 -4.423 5.885 -3.949 475 HG3 GLU 57 HG3 GLU 57 -2.827 6.396 -4.490 476 H MET 58 H MET 58 -0.949 3.264 -4.916 477 HA MET 58 HA MET 58 0.732 5.148 -3.799 478 HB2 MET 58 HB2 MET 58 0.412 2.848 -2.953 479 HB3 MET 58 HB3 MET 58 1.272 2.198 -4.345 480 HG2 MET 58 HG2 MET 58 2.647 2.264 -2.302 481 HG3 MET 58 HG3 MET 58 3.323 3.246 -3.609 482 HE1 MET 58 HE1 MET 58 4.719 5.017 -2.508 483 HE2 MET 58 HE2 MET 58 4.665 3.879 -1.154 484 HE3 MET 58 HE3 MET 58 4.408 5.601 -0.874 485 H GLU 59 H GLU 59 1.279 3.175 -6.697 486 HA GLU 59 HA GLU 59 3.927 4.153 -7.230 487 HB2 GLU 59 HB2 GLU 59 3.121 1.903 -7.930 488 HB3 GLU 59 HB3 GLU 59 1.991 2.658 -9.048 489 HG2 GLU 59 HG2 GLU 59 3.875 3.583 -10.337 490 HG3 GLU 59 HG3 GLU 59 5.018 2.854 -9.208 491 H GLN 60 H GLN 60 0.665 5.054 -8.259 492 HA GLN 60 HA GLN 60 1.329 6.774 -10.410 493 HB2 GLN 60 HB2 GLN 60 -0.971 5.987 -10.071 494 HB3 GLN 60 HB3 GLN 60 -1.068 6.816 -8.522 495 HG2 GLN 60 HG2 GLN 60 -0.945 8.994 -9.658 496 HG3 GLN 60 HG3 GLN 60 -0.774 8.201 -11.213 497 HE21 GLN 60 HE21 GLN 60 -2.993 8.888 -8.579 498 HE22 GLN 60 HE22 GLN 60 -4.438 8.579 -9.468 499 H MET 61 H MET 61 0.780 7.484 -6.921 500 HA MET 61 HA MET 61 1.440 10.284 -7.231 501 HB2 MET 61 HB2 MET 61 1.184 10.421 -4.755 502 HB3 MET 61 HB3 MET 61 -0.219 9.762 -5.578 503 HG2 MET 61 HG2 MET 61 0.516 7.480 -4.911 504 HG3 MET 61 HG3 MET 61 1.830 8.217 -3.989 505 HE1 MET 61 HE1 MET 61 0.793 6.817 -1.809 506 HE2 MET 61 HE2 MET 61 -0.477 6.227 -2.883 507 HE3 MET 61 HE3 MET 61 -0.899 6.972 -1.343 508 H TYR 62 H TYR 62 3.268 7.388 -6.496 509 HA TYR 62 HA TYR 62 5.682 8.722 -5.687 510 HB2 TYR 62 HB2 TYR 62 5.508 6.350 -5.191 511 HB3 TYR 62 HB3 TYR 62 5.221 5.952 -6.886 512 HD1 TYR 62 HD1 TYR 62 7.824 7.453 -4.622 513 HD2 TYR 62 HD2 TYR 62 7.077 5.356 -8.277 514 HE1 TYR 62 HE1 TYR 62 10.236 7.250 -5.014 515 HE2 TYR 62 HE2 TYR 62 9.490 5.153 -8.653 516 HH TYR 62 HH TYR 62 11.800 5.814 -6.266 517 H LYS 63 H LYS 63 4.407 7.692 -8.867 518 HA LYS 63 HA LYS 63 6.655 8.607 -10.389 519 HB2 LYS 63 HB2 LYS 63 3.795 7.936 -11.188 520 HB3 LYS 63 HB3 LYS 63 4.987 8.496 -12.360 521 HG2 LYS 63 HG2 LYS 63 6.419 6.559 -11.888 522 HG3 LYS 63 HG3 LYS 63 5.297 6.009 -10.640 523 HD2 LYS 63 HD2 LYS 63 3.550 5.632 -12.339 524 HD3 LYS 63 HD3 LYS 63 4.619 6.254 -13.601 525 HE2 LYS 63 HE2 LYS 63 6.164 4.381 -13.252 526 HE3 LYS 63 HE3 LYS 63 5.182 3.791 -11.913 527 HZ1 LYS 63 HZ1 LYS 63 4.777 2.548 -13.941 528 HZ2 LYS 63 HZ2 LYS 63 4.298 3.957 -14.746 529 HZ3 LYS 63 HZ3 LYS 63 3.379 3.364 -13.457 530 H ASP 64 H ASP 64 3.875 10.192 -9.038 531 HA ASP 64 HA ASP 64 4.316 12.724 -10.402 532 HB2 ASP 64 HB2 ASP 64 2.034 11.975 -9.716 533 HB3 ASP 64 HB3 ASP 64 2.521 12.052 -8.028 534 H ALA 65 H ALA 65 5.194 11.229 -7.325 535 HA ALA 65 HA ALA 65 6.942 13.514 -6.635 536 HB1 ALA 65 HB1 ALA 65 4.899 13.713 -5.256 537 HB2 ALA 65 HB2 ALA 65 6.301 13.334 -4.255 538 HB3 ALA 65 HB3 ALA 65 5.134 12.070 -4.654 539 HA PRO 66 HA PRO 66 9.310 9.464 -6.610 540 HB2 PRO 66 HB2 PRO 66 11.505 11.137 -7.753 541 HB3 PRO 66 HB3 PRO 66 10.804 9.631 -8.363 542 HG2 PRO 66 HG2 PRO 66 10.307 11.974 -9.593 543 HG3 PRO 66 HG3 PRO 66 9.039 10.734 -9.448 544 HD2 PRO 66 HD2 PRO 66 9.464 13.210 -7.750 545 HD3 PRO 66 HD3 PRO 66 7.966 12.605 -8.499 546 H ASN 67 H ASN 67 9.615 9.240 -4.422 547 HA ASN 67 HA ASN 67 11.955 10.620 -3.199 548 HB2 ASN 67 HB2 ASN 67 9.512 9.524 -1.736 549 HB3 ASN 67 HB3 ASN 67 10.894 10.311 -0.986 550 HD21 ASN 67 HD21 ASN 67 7.999 10.797 -2.881 551 HD22 ASN 67 HD22 ASN 67 7.948 12.514 -2.709 552 H ALA 68 H ALA 68 13.523 9.318 -2.262 553 HA ALA 68 HA ALA 68 13.892 6.678 -3.132 554 HB1 ALA 68 HB1 ALA 68 15.246 8.065 -0.794 555 HB2 ALA 68 HB2 ALA 68 15.741 8.166 -2.483 556 HB3 ALA 68 HB3 ALA 68 15.840 6.626 -1.629 557 H VAL 69 H VAL 69 12.942 7.830 0.113 558 HA VAL 69 HA VAL 69 12.546 5.345 1.372 559 HB VAL 69 HB VAL 69 11.099 7.987 1.926 560 HG11 VAL 69 HG11 VAL 69 9.894 6.111 2.974 561 HG12 VAL 69 HG12 VAL 69 10.676 7.100 4.206 562 HG13 VAL 69 HG13 VAL 69 11.384 5.551 3.739 563 HG21 VAL 69 HG21 VAL 69 12.805 8.348 3.678 564 HG22 VAL 69 HG22 VAL 69 13.550 8.210 2.085 565 HG23 VAL 69 HG23 VAL 69 13.619 6.851 3.208 566 H MET 70 H MET 70 10.324 7.340 -0.566 567 HA MET 70 HA MET 70 7.958 5.845 -0.050 568 HB2 MET 70 HB2 MET 70 8.103 8.259 -0.835 569 HB3 MET 70 HB3 MET 70 8.499 7.658 -2.440 570 HG2 MET 70 HG2 MET 70 6.338 6.639 -2.662 571 HG3 MET 70 HG3 MET 70 5.967 6.937 -0.964 572 HE1 MET 70 HE1 MET 70 3.363 9.324 -2.453 573 HE2 MET 70 HE2 MET 70 3.703 8.052 -1.274 574 HE3 MET 70 HE3 MET 70 3.770 7.699 -3.004 575 H GLU 71 H GLU 71 10.546 5.419 -2.406 576 HA GLU 71 HA GLU 71 9.166 3.540 -4.091 577 HB2 GLU 71 HB2 GLU 71 11.184 4.847 -4.826 578 HB3 GLU 71 HB3 GLU 71 12.177 3.873 -3.748 579 HG2 GLU 71 HG2 GLU 71 11.648 1.845 -5.023 580 HG3 GLU 71 HG3 GLU 71 10.533 2.749 -6.048 581 H GLN 72 H GLN 72 11.078 3.246 -1.125 582 HA GLN 72 HA GLN 72 11.516 0.472 -1.040 583 HB2 GLN 72 HB2 GLN 72 10.921 2.305 1.328 584 HB3 GLN 72 HB3 GLN 72 11.651 0.705 1.430 585 HG2 GLN 72 HG2 GLN 72 13.606 1.532 0.144 586 HG3 GLN 72 HG3 GLN 72 12.879 3.138 0.096 587 HE21 GLN 72 HE21 GLN 72 14.427 0.760 2.142 588 HE22 GLN 72 HE22 GLN 72 14.741 1.817 3.471 589 H LEU 73 H LEU 73 8.649 2.369 -0.208 590 HA LEU 73 HA LEU 73 7.074 0.271 0.879 591 HB2 LEU 73 HB2 LEU 73 6.294 2.946 -0.326 592 HB3 LEU 73 HB3 LEU 73 5.108 1.825 0.319 593 HG LEU 73 HG LEU 73 5.456 3.385 2.054 594 HD11 LEU 73 HD11 LEU 73 6.435 2.110 3.891 595 HD12 LEU 73 HD12 LEU 73 7.173 0.991 2.746 596 HD13 LEU 73 HD13 LEU 73 5.414 1.100 2.871 597 HD21 LEU 73 HD21 LEU 73 7.482 4.481 1.237 598 HD22 LEU 73 HD22 LEU 73 8.456 3.104 1.757 599 HD23 LEU 73 HD23 LEU 73 7.612 4.094 2.952 600 H LEU 74 H LEU 74 7.179 1.644 -2.452 601 HA LEU 74 HA LEU 74 5.367 -0.028 -3.755 602 HB2 LEU 74 HB2 LEU 74 7.907 1.339 -4.641 603 HB3 LEU 74 HB3 LEU 74 7.173 0.173 -5.737 604 HG LEU 74 HG LEU 74 5.041 1.564 -5.642 605 HD11 LEU 74 HD11 LEU 74 5.210 3.907 -4.933 606 HD12 LEU 74 HD12 LEU 74 6.830 3.606 -4.298 607 HD13 LEU 74 HD13 LEU 74 5.434 2.800 -3.580 608 HD21 LEU 74 HD21 LEU 74 5.860 3.240 -7.243 609 HD22 LEU 74 HD22 LEU 74 6.558 1.654 -7.558 610 HD23 LEU 74 HD23 LEU 74 7.526 2.900 -6.763 611 H GLU 75 H GLU 75 8.804 -0.591 -3.150 612 HA GLU 75 HA GLU 75 9.224 -3.051 -4.386 613 HB2 GLU 75 HB2 GLU 75 10.955 -1.434 -3.493 614 HB3 GLU 75 HB3 GLU 75 10.579 -1.989 -1.869 615 HG2 GLU 75 HG2 GLU 75 12.579 -3.098 -2.521 616 HG3 GLU 75 HG3 GLU 75 11.300 -4.309 -2.597 617 H GLU 76 H GLU 76 8.052 -2.335 -1.128 618 HA GLU 76 HA GLU 76 7.992 -4.999 -0.114 619 HB2 GLU 76 HB2 GLU 76 6.622 -2.423 0.748 620 HB3 GLU 76 HB3 GLU 76 6.461 -3.925 1.648 621 HG2 GLU 76 HG2 GLU 76 9.114 -2.565 1.100 622 HG3 GLU 76 HG3 GLU 76 8.162 -2.320 2.560 623 H ILE 77 H ILE 77 5.377 -2.897 -1.457 624 HA ILE 77 HA ILE 77 3.201 -4.669 -0.994 625 HB ILE 77 HB ILE 77 3.348 -2.537 -3.183 626 HG12 ILE 77 HG12 ILE 77 2.313 -2.073 -0.349 627 HG13 ILE 77 HG13 ILE 77 3.975 -1.732 -0.807 628 HG21 ILE 77 HG21 ILE 77 0.941 -3.675 -1.693 629 HG22 ILE 77 HG22 ILE 77 1.373 -4.011 -3.369 630 HG23 ILE 77 HG23 ILE 77 0.887 -2.384 -2.898 631 HD11 ILE 77 HD11 ILE 77 3.215 -0.102 -2.440 632 HD12 ILE 77 HD12 ILE 77 2.593 0.263 -0.831 633 HD13 ILE 77 HD13 ILE 77 1.534 -0.465 -2.039 634 H GLU 78 H GLU 78 5.424 -4.294 -3.684 635 HA GLU 78 HA GLU 78 4.387 -5.836 -5.741 636 HB2 GLU 78 HB2 GLU 78 6.475 -4.550 -5.910 637 HB3 GLU 78 HB3 GLU 78 7.250 -5.580 -4.714 638 HG2 GLU 78 HG2 GLU 78 6.974 -7.509 -6.365 639 HG3 GLU 78 HG3 GLU 78 6.487 -6.304 -7.558 640 H LYS 79 H LYS 79 6.294 -6.907 -2.957 641 HA LYS 79 HA LYS 79 6.411 -9.672 -3.726 642 HB2 LYS 79 HB2 LYS 79 7.190 -8.272 -1.128 643 HB3 LYS 79 HB3 LYS 79 7.586 -9.944 -1.537 644 HG2 LYS 79 HG2 LYS 79 8.948 -9.232 -3.422 645 HG3 LYS 79 HG3 LYS 79 8.453 -7.552 -3.197 646 HD2 LYS 79 HD2 LYS 79 9.638 -7.482 -1.032 647 HD3 LYS 79 HD3 LYS 79 10.113 -9.173 -1.222 648 HE2 LYS 79 HE2 LYS 79 11.923 -7.554 -1.828 649 HE3 LYS 79 HE3 LYS 79 11.480 -8.631 -3.153 650 HZ1 LYS 79 HZ1 LYS 79 10.196 -6.875 -4.147 651 HZ2 LYS 79 HZ2 LYS 79 11.758 -6.307 -3.848 652 HZ3 LYS 79 HZ3 LYS 79 10.484 -5.848 -2.834 653 H LEU 80 H LEU 80 4.507 -7.839 -1.303 654 HA LEU 80 HA LEU 80 3.093 -10.043 -0.201 655 HB2 LEU 80 HB2 LEU 80 2.542 -7.072 -0.318 656 HB3 LEU 80 HB3 LEU 80 1.291 -8.147 0.276 657 HG LEU 80 HG LEU 80 2.580 -7.132 2.128 658 HD11 LEU 80 HD11 LEU 80 3.068 -9.177 3.402 659 HD12 LEU 80 HD12 LEU 80 3.003 -10.128 1.915 660 HD13 LEU 80 HD13 LEU 80 1.554 -9.311 2.507 661 HD21 LEU 80 HD21 LEU 80 4.753 -6.865 1.018 662 HD22 LEU 80 HD22 LEU 80 4.991 -8.613 1.024 663 HD23 LEU 80 HD23 LEU 80 4.923 -7.723 2.546 664 H LEU 81 H LEU 81 2.560 -8.152 -3.116 665 HA LEU 81 HA LEU 81 0.029 -9.213 -3.874 666 HB2 LEU 81 HB2 LEU 81 1.068 -7.132 -4.798 667 HB3 LEU 81 HB3 LEU 81 2.265 -8.112 -5.625 668 HG LEU 81 HG LEU 81 0.440 -9.138 -7.006 669 HD11 LEU 81 HD11 LEU 81 -1.384 -7.143 -5.621 670 HD12 LEU 81 HD12 LEU 81 -1.445 -8.901 -5.469 671 HD13 LEU 81 HD13 LEU 81 -1.815 -8.141 -7.013 672 HD21 LEU 81 HD21 LEU 81 1.690 -7.213 -7.887 673 HD22 LEU 81 HD22 LEU 81 0.541 -6.100 -7.140 674 HD23 LEU 81 HD23 LEU 81 0.015 -7.176 -8.435 675 H LYS 82 H LYS 82 3.373 -10.270 -4.429 676 HA LYS 82 HA LYS 82 2.753 -12.446 -6.197 677 HB2 LYS 82 HB2 LYS 82 4.972 -11.329 -6.170 678 HB3 LYS 82 HB3 LYS 82 5.273 -11.952 -4.551 679 HG2 LYS 82 HG2 LYS 82 5.236 -14.264 -5.407 680 HG3 LYS 82 HG3 LYS 82 4.867 -13.672 -7.030 681 HD2 LYS 82 HD2 LYS 82 7.053 -12.510 -7.106 682 HD3 LYS 82 HD3 LYS 82 7.415 -13.075 -5.473 683 HE2 LYS 82 HE2 LYS 82 7.367 -15.415 -6.268 684 HE3 LYS 82 HE3 LYS 82 6.986 -14.857 -7.899 685 HZ1 LYS 82 HZ1 LYS 82 9.477 -14.249 -6.398 686 HZ2 LYS 82 HZ2 LYS 82 9.110 -13.705 -7.956 687 HZ3 LYS 82 HZ3 LYS 82 9.326 -15.357 -7.668 688 H LYS 83 H LYS 83 3.222 -12.201 -2.675 689 HA LYS 83 HA LYS 83 3.081 -15.016 -2.139 690 HB2 LYS 83 HB2 LYS 83 3.030 -12.536 -0.420 691 HB3 LYS 83 HB3 LYS 83 2.460 -14.038 0.288 692 HG2 LYS 83 HG2 LYS 83 4.725 -13.828 0.935 693 HG3 LYS 83 HG3 LYS 83 4.688 -15.074 -0.311 694 HD2 LYS 83 HD2 LYS 83 5.504 -13.433 -1.971 695 HD3 LYS 83 HD3 LYS 83 5.521 -12.178 -0.727 696 HE2 LYS 83 HE2 LYS 83 7.775 -13.056 -1.094 697 HE3 LYS 83 HE3 LYS 83 7.225 -13.467 0.531 698 HZ1 LYS 83 HZ1 LYS 83 8.331 -15.312 -0.607 699 HZ2 LYS 83 HZ2 LYS 83 7.138 -15.296 -1.808 700 HZ3 LYS 83 HZ3 LYS 83 6.728 -15.687 -0.214 701 H ALA 84 H ALA 84 0.617 -12.445 -2.311 702 HA ALA 84 HA ALA 84 -1.522 -14.314 -1.475 703 HB1 ALA 84 HB1 ALA 84 -1.487 -12.103 -0.397 704 HB2 ALA 84 HB2 ALA 84 -2.974 -12.344 -1.315 705 HB3 ALA 84 HB3 ALA 84 -1.686 -11.323 -1.965 706 H GLY 85 H GLY 85 -2.504 -15.467 -3.029 707 HA2 GLY 85 HA2 GLY 85 -3.561 -16.072 -4.977 708 HA3 GLY 85 HA3 GLY 85 -3.705 -14.362 -5.364 709 H SER 86 H SER 86 -2.423 -13.533 -6.934 710 HA SER 86 HA SER 86 -0.991 -13.331 -8.663 711 HB2 SER 86 HB2 SER 86 0.522 -12.945 -6.735 712 HB3 SER 86 HB3 SER 86 0.930 -14.659 -6.713 713 HG SER 86 HG SER 86 2.070 -12.730 -8.138 714 H LEU 87 H LEU 87 1.328 -15.737 -8.567 715 HA LEU 87 HA LEU 87 1.891 -17.380 -9.958 716 HB2 LEU 87 HB2 LEU 87 -0.923 -18.192 -9.243 717 HB3 LEU 87 HB3 LEU 87 -0.052 -19.131 -10.441 718 HG LEU 87 HG LEU 87 1.697 -19.675 -8.795 719 HD11 LEU 87 HD11 LEU 87 1.649 -17.665 -7.395 720 HD12 LEU 87 HD12 LEU 87 1.509 -19.127 -6.428 721 HD13 LEU 87 HD13 LEU 87 0.078 -18.140 -6.739 722 HD21 LEU 87 HD21 LEU 87 -1.083 -20.292 -7.729 723 HD22 LEU 87 HD22 LEU 87 0.395 -21.184 -7.353 724 HD23 LEU 87 HD23 LEU 87 -0.237 -21.182 -8.996 725 H VAL 88 H VAL 88 0.630 -14.869 -11.063 726 HA VAL 88 HA VAL 88 0.134 -15.744 -13.854 727 HB VAL 88 HB VAL 88 -0.469 -13.036 -12.546 728 HG11 VAL 88 HG11 VAL 88 -1.205 -14.032 -15.328 729 HG12 VAL 88 HG12 VAL 88 -0.006 -12.794 -14.948 730 HG13 VAL 88 HG13 VAL 88 -1.710 -12.495 -14.613 731 HG21 VAL 88 HG21 VAL 88 -1.975 -14.778 -11.674 732 HG22 VAL 88 HG22 VAL 88 -2.418 -15.246 -13.317 733 HG23 VAL 88 HG23 VAL 88 -2.858 -13.650 -12.706 734 HA PRO 89 HA PRO 89 4.507 -14.176 -14.028 735 HB2 PRO 89 HB2 PRO 89 4.549 -15.613 -16.648 736 HB3 PRO 89 HB3 PRO 89 5.620 -15.790 -15.252 737 HG2 PRO 89 HG2 PRO 89 3.810 -17.695 -15.858 738 HG3 PRO 89 HG3 PRO 89 4.183 -17.290 -14.168 739 HD2 PRO 89 HD2 PRO 89 1.830 -16.392 -15.853 740 HD3 PRO 89 HD3 PRO 89 1.845 -17.008 -14.182 741 H ARG 90 H ARG 90 3.766 -12.013 -14.291 742 HA ARG 90 HA ARG 90 3.072 -11.006 -16.946 743 HB2 ARG 90 HB2 ARG 90 3.441 -9.559 -14.290 744 HB3 ARG 90 HB3 ARG 90 2.921 -8.785 -15.785 745 HG2 ARG 90 HG2 ARG 90 0.905 -10.252 -15.808 746 HG3 ARG 90 HG3 ARG 90 1.420 -10.943 -14.269 747 HD2 ARG 90 HD2 ARG 90 1.224 -8.751 -13.189 748 HD3 ARG 90 HD3 ARG 90 0.782 -8.005 -14.729 749 HE ARG 90 HE ARG 90 -0.862 -10.042 -13.347 750 HH11 ARG 90 HH11 ARG 90 -0.685 -7.144 -15.255 751 HH12 ARG 90 HH12 ARG 90 -2.400 -6.926 -15.249 752 HH21 ARG 90 HH21 ARG 90 -3.035 -9.723 -13.369 753 HH22 ARG 90 HH22 ARG 90 -3.709 -8.363 -14.194 754 H GLY 91 H GLY 91 4.782 -11.022 -18.304 755 HA2 GLY 91 HA2 GLY 91 7.199 -9.438 -17.599 756 HA3 GLY 91 HA3 GLY 91 7.322 -10.990 -18.419 757 H SER 92 H SER 92 8.326 -10.095 -20.225 758 HA SER 92 HA SER 92 8.491 -9.380 -22.351 759 HB2 SER 92 HB2 SER 92 5.464 -9.090 -22.264 760 HB3 SER 92 HB3 SER 92 6.431 -8.953 -23.732 761 HG SER 92 HG SER 92 6.004 -11.023 -23.792 762 H TYR 93 H TYR 93 7.517 -7.280 -19.916 763 HA TYR 93 HA TYR 93 7.638 -4.823 -21.486 764 HB2 TYR 93 HB2 TYR 93 6.115 -4.904 -19.538 765 HB3 TYR 93 HB3 TYR 93 7.460 -5.280 -18.470 766 HD1 TYR 93 HD2 TYR 93 6.037 -2.599 -20.657 767 HD2 TYR 93 HD1 TYR 93 8.796 -3.481 -17.509 768 HE1 TYR 93 HE2 TYR 93 6.396 -0.199 -20.291 769 HE2 TYR 93 HE1 TYR 93 9.154 -1.077 -17.150 770 HH TYR 93 HH TYR 93 8.938 1.039 -18.476 771 H LEU 94 H LEU 94 9.421 -3.529 -21.670 772 HA LEU 94 HA LEU 94 11.862 -4.131 -20.090 773 HB2 LEU 94 HB2 LEU 94 12.190 -4.861 -22.414 774 HB3 LEU 94 HB3 LEU 94 11.688 -3.287 -23.010 775 HG LEU 94 HG LEU 94 13.717 -2.256 -21.953 776 HD11 LEU 94 HD11 LEU 94 15.549 -3.698 -21.127 777 HD12 LEU 94 HD12 LEU 94 14.501 -5.111 -21.268 778 HD13 LEU 94 HD13 LEU 94 14.105 -3.827 -20.124 779 HD21 LEU 94 HD21 LEU 94 13.792 -2.907 -24.321 780 HD22 LEU 94 HD22 LEU 94 14.342 -4.526 -23.880 781 HD23 LEU 94 HD23 LEU 94 15.370 -3.126 -23.563 782 H GLU 95 H GLU 95 12.318 -2.489 -18.761 783 HA GLU 95 HA GLU 95 11.476 0.245 -19.205 784 HB2 GLU 95 HB2 GLU 95 11.767 -0.962 -16.923 785 HB3 GLU 95 HB3 GLU 95 13.491 -0.706 -17.119 786 HG2 GLU 95 HG2 GLU 95 11.440 1.536 -17.060 787 HG3 GLU 95 HG3 GLU 95 12.281 0.950 -15.633 788 H HIS 96 H HIS 96 12.422 0.888 -21.155 789 HA HIS 96 HA HIS 96 15.156 0.255 -21.820 790 HB2 HIS 96 HB2 HIS 96 13.192 0.389 -23.458 791 HB3 HIS 96 HB3 HIS 96 13.318 2.142 -23.342 792 HD1 HIS 96 HD1 HIS 96 14.443 2.936 -25.425 793 HD2 HIS 96 HD2 HIS 96 16.134 -0.586 -24.015 794 HE1 HIS 96 HE1 HIS 96 16.343 2.434 -26.973 795 HE2 HIS 96 HE2 HIS 96 17.323 0.276 -26.134 796 H HIS 97 H HIS 97 16.735 1.290 -20.789 797 HA HIS 97 HA HIS 97 16.424 4.082 -19.858 798 HB2 HIS 97 HB2 HIS 97 16.832 1.945 -18.326 799 HB3 HIS 97 HB3 HIS 97 18.507 2.114 -18.830 800 HD1 HIS 97 HD1 HIS 97 15.908 3.587 -16.630 801 HD2 HIS 97 HD2 HIS 97 19.823 4.425 -17.730 802 HE1 HIS 97 HE1 HIS 97 16.711 5.300 -14.994 803 HE2 HIS 97 HE2 HIS 97 19.049 5.860 -15.729 804 H HIS 98 H HIS 98 17.193 3.592 -22.592 805 HA HIS 98 HA HIS 98 20.101 4.162 -22.743 806 HB2 HIS 98 HB2 HIS 98 19.357 2.202 -24.012 807 HB3 HIS 98 HB3 HIS 98 18.125 3.147 -24.832 808 HD1 HIS 98 HD1 HIS 98 21.945 3.239 -24.542 809 HD2 HIS 98 HD2 HIS 98 18.929 3.850 -27.342 810 HE1 HIS 98 HE1 HIS 98 23.118 3.729 -26.704 811 HE2 HIS 98 HE2 HIS 98 21.282 4.249 -28.334 812 H HIS 99 H HIS 99 19.949 6.408 -22.192 813 HA HIS 99 HA HIS 99 19.060 8.171 -24.413 814 HB2 HIS 99 HB2 HIS 99 18.572 8.667 -21.438 815 HB3 HIS 99 HB3 HIS 99 18.366 9.895 -22.683 816 HD1 HIS 99 HD1 HIS 99 16.606 7.165 -20.995 817 HD2 HIS 99 HD2 HIS 99 16.180 9.313 -24.519 818 HE1 HIS 99 HE1 HIS 99 14.252 6.766 -21.736 819 HE2 HIS 99 HE2 HIS 99 14.084 7.909 -23.967 820 H HIS 100 H HIS 100 20.809 9.254 -25.173 821 HA HIS 100 HA HIS 100 22.635 10.590 -23.311 822 HB2 HIS 100 HB2 HIS 100 23.749 8.397 -23.732 823 HB3 HIS 100 HB3 HIS 100 23.735 8.717 -25.462 824 HD1 HIS 100 HD1 HIS 100 25.477 9.667 -22.294 825 HD2 HIS 100 HD2 HIS 100 25.699 10.600 -26.339 826 HE1 HIS 100 HE1 HIS 100 27.605 10.959 -22.573 827 HE2 HIS 100 HE2 HIS 100 27.822 11.297 -25.048 828 H HIS 101 H HIS 101 22.717 12.630 -23.957 829 HA HIS 101 HA HIS 101 23.635 13.259 -26.669 830 HB2 HIS 101 HB2 HIS 101 21.069 14.342 -25.483 831 HB3 HIS 101 HB3 HIS 101 22.046 15.435 -26.447 832 HD1 HIS 101 HD1 HIS 101 20.169 12.157 -26.779 833 HD2 HIS 101 HD2 HIS 101 21.766 15.148 -29.179 834 HE1 HIS 101 HE1 HIS 101 19.394 11.643 -29.100 835 HE2 HIS 101 HE2 HIS 101 20.158 13.600 -30.472 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -8.656 -20.243 8.187 2 H2 MET 1 H2 MET 1 -8.037 -20.054 9.749 3 H3 MET 1 H3 MET 1 -7.622 -21.417 8.835 4 HA MET 1 HA MET 1 -6.438 -20.077 7.257 5 HB2 MET 1 HB2 MET 1 -7.815 -18.033 7.451 6 HB3 MET 1 HB3 MET 1 -7.201 -17.745 9.074 7 HG2 MET 1 HG2 MET 1 -4.923 -17.436 8.131 8 HG3 MET 1 HG3 MET 1 -5.579 -17.675 6.510 9 HE1 MET 1 HE1 MET 1 -7.939 -14.526 6.182 10 HE2 MET 1 HE2 MET 1 -8.437 -16.086 6.835 11 HE3 MET 1 HE3 MET 1 -7.396 -16.014 5.411 12 H GLN 2 H GLN 2 -4.432 -20.834 7.663 13 HA GLN 2 HA GLN 2 -3.305 -20.786 10.361 14 HB2 GLN 2 HB2 GLN 2 -1.415 -22.058 9.400 15 HB3 GLN 2 HB3 GLN 2 -2.967 -22.812 9.074 16 HG2 GLN 2 HG2 GLN 2 -2.901 -21.959 6.755 17 HG3 GLN 2 HG3 GLN 2 -1.340 -21.199 7.083 18 HE21 GLN 2 HE21 GLN 2 -2.061 -23.296 5.143 19 HE22 GLN 2 HE22 GLN 2 -1.022 -24.631 5.480 20 H GLU 3 H GLU 3 -0.875 -20.158 10.514 21 HA GLU 3 HA GLU 3 -0.967 -17.319 10.377 22 HB2 GLU 3 HB2 GLU 3 0.052 -18.772 12.218 23 HB3 GLU 3 HB3 GLU 3 1.443 -18.996 11.163 24 HG2 GLU 3 HG2 GLU 3 1.824 -16.540 11.163 25 HG3 GLU 3 HG3 GLU 3 0.444 -16.335 12.240 26 H GLU 4 H GLU 4 0.357 -19.593 8.124 27 HA GLU 4 HA GLU 4 2.450 -18.120 6.952 28 HB2 GLU 4 HB2 GLU 4 0.547 -20.094 5.624 29 HB3 GLU 4 HB3 GLU 4 2.037 -19.498 4.897 30 HG2 GLU 4 HG2 GLU 4 3.305 -20.503 6.832 31 HG3 GLU 4 HG3 GLU 4 1.790 -21.215 7.384 32 H ARG 5 H ARG 5 -0.989 -18.284 5.887 33 HA ARG 5 HA ARG 5 -0.779 -16.058 4.076 34 HB2 ARG 5 HB2 ARG 5 -2.546 -17.776 3.764 35 HB3 ARG 5 HB3 ARG 5 -3.272 -17.331 5.308 36 HG2 ARG 5 HG2 ARG 5 -3.591 -14.979 4.324 37 HG3 ARG 5 HG3 ARG 5 -3.155 -15.673 2.767 38 HD2 ARG 5 HD2 ARG 5 -5.453 -16.688 4.461 39 HD3 ARG 5 HD3 ARG 5 -5.637 -15.447 3.225 40 HE ARG 5 HE ARG 5 -4.583 -18.110 2.519 41 HH11 ARG 5 HH11 ARG 5 -6.981 -15.650 2.089 42 HH12 ARG 5 HH12 ARG 5 -7.788 -16.510 0.829 43 HH21 ARG 5 HH21 ARG 5 -5.647 -19.184 0.893 44 HH22 ARG 5 HH22 ARG 5 -7.037 -18.471 0.158 45 H LYS 6 H LYS 6 -1.669 -16.423 7.483 46 HA LYS 6 HA LYS 6 -3.080 -13.993 7.799 47 HB2 LYS 6 HB2 LYS 6 -3.129 -16.050 9.316 48 HB3 LYS 6 HB3 LYS 6 -1.612 -15.485 9.999 49 HG2 LYS 6 HG2 LYS 6 -3.422 -14.831 11.462 50 HG3 LYS 6 HG3 LYS 6 -2.754 -13.381 10.707 51 HD2 LYS 6 HD2 LYS 6 -4.621 -13.269 9.137 52 HD3 LYS 6 HD3 LYS 6 -5.249 -14.812 9.726 53 HE2 LYS 6 HE2 LYS 6 -5.049 -12.252 11.350 54 HE3 LYS 6 HE3 LYS 6 -6.524 -12.913 10.644 55 HZ1 LYS 6 HZ1 LYS 6 -6.198 -14.904 12.031 56 HZ2 LYS 6 HZ2 LYS 6 -6.418 -13.501 12.945 57 HZ3 LYS 6 HZ3 LYS 6 -4.872 -14.161 12.774 58 H LYS 7 H LYS 7 0.384 -14.740 8.261 59 HA LYS 7 HA LYS 7 1.109 -12.095 9.143 60 HB2 LYS 7 HB2 LYS 7 2.672 -14.551 8.373 61 HB3 LYS 7 HB3 LYS 7 3.514 -13.003 8.396 62 HG2 LYS 7 HG2 LYS 7 2.698 -12.674 10.761 63 HG3 LYS 7 HG3 LYS 7 2.082 -14.327 10.720 64 HD2 LYS 7 HD2 LYS 7 4.253 -15.269 10.660 65 HD3 LYS 7 HD3 LYS 7 4.996 -13.767 10.102 66 HE2 LYS 7 HE2 LYS 7 5.579 -14.193 12.445 67 HE3 LYS 7 HE3 LYS 7 4.588 -12.738 12.311 68 HZ1 LYS 7 HZ1 LYS 7 3.715 -15.422 13.212 69 HZ2 LYS 7 HZ2 LYS 7 2.665 -14.126 12.947 70 HZ3 LYS 7 HZ3 LYS 7 3.847 -14.021 14.147 71 H LEU 8 H LEU 8 0.870 -13.630 5.980 72 HA LEU 8 HA LEU 8 2.028 -11.552 4.423 73 HB2 LEU 8 HB2 LEU 8 1.540 -13.796 3.535 74 HB3 LEU 8 HB3 LEU 8 -0.181 -13.528 3.739 75 HG LEU 8 HG LEU 8 -0.101 -11.748 1.987 76 HD11 LEU 8 HD11 LEU 8 2.210 -10.990 2.228 77 HD12 LEU 8 HD12 LEU 8 1.908 -11.490 0.567 78 HD13 LEU 8 HD13 LEU 8 2.811 -12.548 1.653 79 HD21 LEU 8 HD21 LEU 8 1.008 -14.434 1.098 80 HD22 LEU 8 HD22 LEU 8 0.188 -13.261 0.066 81 HD23 LEU 8 HD23 LEU 8 -0.695 -14.048 1.370 82 H LEU 9 H LEU 9 -1.242 -12.043 5.696 83 HA LEU 9 HA LEU 9 -2.443 -9.660 4.649 84 HB2 LEU 9 HB2 LEU 9 -3.257 -11.369 7.031 85 HB3 LEU 9 HB3 LEU 9 -4.259 -10.141 6.269 86 HG LEU 9 HG LEU 9 -3.318 -12.707 4.935 87 HD11 LEU 9 HD11 LEU 9 -4.967 -13.165 6.678 88 HD12 LEU 9 HD12 LEU 9 -5.654 -13.438 5.078 89 HD13 LEU 9 HD13 LEU 9 -6.067 -11.974 5.974 90 HD21 LEU 9 HD21 LEU 9 -3.583 -10.901 3.290 91 HD22 LEU 9 HD22 LEU 9 -5.210 -10.571 3.888 92 HD23 LEU 9 HD23 LEU 9 -4.852 -12.109 3.100 93 H GLU 10 H GLU 10 -0.694 -10.466 7.594 94 HA GLU 10 HA GLU 10 -1.161 -8.164 9.149 95 HB2 GLU 10 HB2 GLU 10 -0.092 -10.304 9.943 96 HB3 GLU 10 HB3 GLU 10 1.362 -9.867 9.059 97 HG2 GLU 10 HG2 GLU 10 1.233 -7.678 10.544 98 HG3 GLU 10 HG3 GLU 10 0.238 -8.683 11.583 99 H LYS 11 H LYS 11 1.107 -8.818 6.533 100 HA LYS 11 HA LYS 11 2.806 -6.588 6.757 101 HB2 LYS 11 HB2 LYS 11 3.327 -8.565 5.360 102 HB3 LYS 11 HB3 LYS 11 2.038 -8.133 4.244 103 HG2 LYS 11 HG2 LYS 11 3.236 -6.061 3.638 104 HG3 LYS 11 HG3 LYS 11 4.516 -6.452 4.783 105 HD2 LYS 11 HD2 LYS 11 3.796 -8.175 2.377 106 HD3 LYS 11 HD3 LYS 11 5.075 -6.964 2.374 107 HE2 LYS 11 HE2 LYS 11 4.984 -9.381 4.208 108 HE3 LYS 11 HE3 LYS 11 5.930 -9.270 2.722 109 HZ1 LYS 11 HZ1 LYS 11 7.146 -7.422 3.674 110 HZ2 LYS 11 HZ2 LYS 11 7.267 -8.783 4.668 111 HZ3 LYS 11 HZ3 LYS 11 6.236 -7.510 5.095 112 H LEU 12 H LEU 12 -0.425 -6.864 5.311 113 HA LEU 12 HA LEU 12 -0.554 -4.443 3.906 114 HB2 LEU 12 HB2 LEU 12 -2.692 -6.048 5.321 115 HB3 LEU 12 HB3 LEU 12 -3.091 -4.477 4.657 116 HG LEU 12 HG LEU 12 -3.783 -6.094 3.056 117 HD11 LEU 12 HD11 LEU 12 -1.185 -4.885 2.069 118 HD12 LEU 12 HD12 LEU 12 -2.761 -4.090 2.106 119 HD13 LEU 12 HD13 LEU 12 -2.508 -5.486 1.066 120 HD21 LEU 12 HD21 LEU 12 -2.509 -8.028 3.805 121 HD22 LEU 12 HD22 LEU 12 -1.016 -7.331 3.172 122 HD23 LEU 12 HD23 LEU 12 -2.311 -7.801 2.068 123 H GLU 13 H GLU 13 -1.156 -5.017 7.401 124 HA GLU 13 HA GLU 13 -1.844 -2.369 8.072 125 HB2 GLU 13 HB2 GLU 13 -0.567 -4.553 9.749 126 HB3 GLU 13 HB3 GLU 13 -0.985 -2.978 10.418 127 HG2 GLU 13 HG2 GLU 13 -2.769 -4.387 10.991 128 HG3 GLU 13 HG3 GLU 13 -3.371 -3.408 9.662 129 H LYS 14 H LYS 14 1.389 -3.926 8.014 130 HA LYS 14 HA LYS 14 2.778 -1.719 9.133 131 HB2 LYS 14 HB2 LYS 14 3.710 -4.006 9.157 132 HB3 LYS 14 HB3 LYS 14 3.912 -3.951 7.406 133 HG2 LYS 14 HG2 LYS 14 5.547 -2.147 7.602 134 HG3 LYS 14 HG3 LYS 14 5.279 -2.041 9.342 135 HD2 LYS 14 HD2 LYS 14 6.211 -4.327 9.613 136 HD3 LYS 14 HD3 LYS 14 6.487 -4.415 7.872 137 HE2 LYS 14 HE2 LYS 14 8.053 -2.504 8.024 138 HE3 LYS 14 HE3 LYS 14 7.775 -2.411 9.766 139 HZ1 LYS 14 HZ1 LYS 14 9.796 -3.584 9.321 140 HZ2 LYS 14 HZ2 LYS 14 9.014 -4.666 8.289 141 HZ3 LYS 14 HZ3 LYS 14 8.668 -4.676 9.943 142 H ILE 15 H ILE 15 2.373 -2.721 5.698 143 HA ILE 15 HA ILE 15 3.876 -0.624 4.522 144 HB ILE 15 HB ILE 15 1.453 -2.054 3.316 145 HG12 ILE 15 HG12 ILE 15 4.421 -2.700 3.026 146 HG13 ILE 15 HG13 ILE 15 3.246 -3.647 3.929 147 HG21 ILE 15 HG21 ILE 15 3.625 -0.433 1.906 148 HG22 ILE 15 HG22 ILE 15 1.936 0.039 2.102 149 HG23 ILE 15 HG23 ILE 15 2.346 -1.350 1.102 150 HD11 ILE 15 HD11 ILE 15 2.055 -4.136 1.830 151 HD12 ILE 15 HD12 ILE 15 3.728 -4.688 1.818 152 HD13 ILE 15 HD13 ILE 15 3.283 -3.226 0.942 153 H LEU 16 H LEU 16 0.335 -0.926 4.985 154 HA LEU 16 HA LEU 16 -0.334 1.561 3.818 155 HB2 LEU 16 HB2 LEU 16 -1.848 -0.457 5.463 156 HB3 LEU 16 HB3 LEU 16 -2.603 1.079 5.083 157 HG LEU 16 HG LEU 16 -2.527 0.612 2.697 158 HD11 LEU 16 HD11 LEU 16 -1.116 -1.998 3.310 159 HD12 LEU 16 HD12 LEU 16 -0.411 -0.600 2.498 160 HD13 LEU 16 HD13 LEU 16 -1.720 -1.490 1.728 161 HD21 LEU 16 HD21 LEU 16 -4.043 -1.330 2.568 162 HD22 LEU 16 HD22 LEU 16 -4.448 -0.294 3.933 163 HD23 LEU 16 HD23 LEU 16 -3.578 -1.806 4.205 164 H ASP 17 H ASP 17 0.503 0.735 7.108 165 HA ASP 17 HA ASP 17 -0.409 3.198 8.315 166 HB2 ASP 17 HB2 ASP 17 -0.228 1.097 9.602 167 HB3 ASP 17 HB3 ASP 17 1.510 1.066 9.344 168 H GLU 18 H GLU 18 2.821 1.912 7.368 169 HA GLU 18 HA GLU 18 4.191 4.343 8.165 170 HB2 GLU 18 HB2 GLU 18 5.239 1.858 6.780 171 HB3 GLU 18 HB3 GLU 18 6.249 3.206 7.295 172 HG2 GLU 18 HG2 GLU 18 5.284 2.781 9.660 173 HG3 GLU 18 HG3 GLU 18 4.733 1.237 9.012 174 H VAL 19 H VAL 19 2.793 3.245 5.193 175 HA VAL 19 HA VAL 19 4.501 4.770 3.432 176 HB VAL 19 HB VAL 19 3.317 2.684 2.714 177 HG11 VAL 19 HG11 VAL 19 0.837 4.416 2.614 178 HG12 VAL 19 HG12 VAL 19 1.131 3.086 3.731 179 HG13 VAL 19 HG13 VAL 19 0.982 2.767 2.004 180 HG21 VAL 19 HG21 VAL 19 2.818 5.145 1.005 181 HG22 VAL 19 HG22 VAL 19 2.837 3.477 0.434 182 HG23 VAL 19 HG23 VAL 19 4.308 4.200 1.076 183 H THR 20 H THR 20 1.586 5.462 5.234 184 HA THR 20 HA THR 20 0.776 7.871 4.016 185 HB THR 20 HB THR 20 -0.194 8.533 6.183 186 HG1 THR 20 HG1 THR 20 0.586 6.374 7.662 187 HG21 THR 20 HG21 THR 20 -0.484 5.538 5.764 188 HG22 THR 20 HG22 THR 20 -1.418 6.791 4.940 189 HG23 THR 20 HG23 THR 20 -1.588 6.567 6.681 190 H ASP 21 H ASP 21 3.297 7.226 6.467 191 HA ASP 21 HA ASP 21 4.325 9.822 6.826 192 HB2 ASP 21 HB2 ASP 21 5.856 7.179 6.881 193 HB3 ASP 21 HB3 ASP 21 6.414 8.698 7.576 194 H GLY 22 H GLY 22 5.353 7.264 4.544 195 HA2 GLY 22 HA2 GLY 22 7.327 8.764 3.144 196 HA3 GLY 22 HA3 GLY 22 6.571 7.279 2.595 197 H ALA 23 H ALA 23 3.894 8.800 2.900 198 HA ALA 23 HA ALA 23 3.786 9.916 0.206 199 HB1 ALA 23 HB1 ALA 23 1.365 9.884 0.541 200 HB2 ALA 23 HB2 ALA 23 1.599 9.391 2.220 201 HB3 ALA 23 HB3 ALA 23 2.089 8.318 0.909 202 HA PRO 24 HA PRO 24 4.341 14.051 2.060 203 HB2 PRO 24 HB2 PRO 24 4.263 15.538 -0.243 204 HB3 PRO 24 HB3 PRO 24 5.655 14.552 0.218 205 HG2 PRO 24 HG2 PRO 24 3.408 13.875 -1.678 206 HG3 PRO 24 HG3 PRO 24 5.158 13.672 -1.908 207 HD2 PRO 24 HD2 PRO 24 3.564 11.610 -1.173 208 HD3 PRO 24 HD3 PRO 24 5.238 11.751 -0.583 209 H ASP 25 H ASP 25 2.326 14.044 3.236 210 HA ASP 25 HA ASP 25 0.557 15.169 4.055 211 HB2 ASP 25 HB2 ASP 25 1.278 17.224 1.928 212 HB3 ASP 25 HB3 ASP 25 0.208 17.523 3.293 213 H GLU 26 H GLU 26 -0.035 16.288 0.730 214 HA GLU 26 HA GLU 26 -2.817 15.728 0.774 215 HB2 GLU 26 HB2 GLU 26 -2.706 16.304 -1.677 216 HB3 GLU 26 HB3 GLU 26 -1.986 17.511 -0.617 217 HG2 GLU 26 HG2 GLU 26 0.265 16.682 -1.164 218 HG3 GLU 26 HG3 GLU 26 -0.434 15.436 -2.196 219 H ALA 27 H ALA 27 -0.033 13.889 -0.325 220 HA ALA 27 HA ALA 27 -1.578 11.697 -1.441 221 HB1 ALA 27 HB1 ALA 27 0.652 12.228 -2.329 222 HB2 ALA 27 HB2 ALA 27 0.606 10.585 -1.690 223 HB3 ALA 27 HB3 ALA 27 1.376 11.872 -0.759 224 H ARG 28 H ARG 28 -0.228 12.547 1.706 225 HA ARG 28 HA ARG 28 -0.247 10.043 3.009 226 HB2 ARG 28 HB2 ARG 28 0.799 12.069 4.003 227 HB3 ARG 28 HB3 ARG 28 -0.787 12.807 4.192 228 HG2 ARG 28 HG2 ARG 28 -1.398 10.914 5.746 229 HG3 ARG 28 HG3 ARG 28 0.275 10.367 5.648 230 HD2 ARG 28 HD2 ARG 28 0.073 11.627 7.672 231 HD3 ARG 28 HD3 ARG 28 0.959 12.645 6.535 232 HE ARG 28 HE ARG 28 -1.076 13.927 6.194 233 HH11 ARG 28 HH11 ARG 28 -1.194 11.784 8.905 234 HH12 ARG 28 HH12 ARG 28 -2.407 12.707 9.710 235 HH21 ARG 28 HH21 ARG 28 -2.652 15.066 7.238 236 HH22 ARG 28 HH22 ARG 28 -3.219 14.542 8.781 237 H GLU 29 H GLU 29 -2.718 12.620 3.082 238 HA GLU 29 HA GLU 29 -4.723 11.187 4.452 239 HB2 GLU 29 HB2 GLU 29 -6.251 12.995 3.660 240 HB3 GLU 29 HB3 GLU 29 -4.760 13.605 4.368 241 HG2 GLU 29 HG2 GLU 29 -3.837 14.025 2.133 242 HG3 GLU 29 HG3 GLU 29 -5.292 13.362 1.394 243 H ARG 30 H ARG 30 -3.996 11.399 0.997 244 HA ARG 30 HA ARG 30 -6.211 10.089 -0.121 245 HB2 ARG 30 HB2 ARG 30 -4.534 11.161 -1.523 246 HB3 ARG 30 HB3 ARG 30 -3.275 10.089 -0.928 247 HG2 ARG 30 HG2 ARG 30 -4.426 8.169 -2.031 248 HG3 ARG 30 HG3 ARG 30 -5.619 9.293 -2.682 249 HD2 ARG 30 HD2 ARG 30 -2.634 9.370 -3.259 250 HD3 ARG 30 HD3 ARG 30 -3.871 8.716 -4.336 251 HE ARG 30 HE ARG 30 -4.832 11.073 -4.265 252 HH11 ARG 30 HH11 ARG 30 -1.422 10.506 -3.986 253 HH12 ARG 30 HH12 ARG 30 -1.020 12.019 -4.716 254 HH21 ARG 30 HH21 ARG 30 -4.273 12.958 -5.223 255 HH22 ARG 30 HH22 ARG 30 -2.610 13.378 -5.423 256 H ILE 31 H ILE 31 -3.126 8.698 1.060 257 HA ILE 31 HA ILE 31 -3.827 5.970 0.719 258 HB ILE 31 HB ILE 31 -1.697 7.293 2.455 259 HG12 ILE 31 HG12 ILE 31 -1.566 5.765 -0.184 260 HG13 ILE 31 HG13 ILE 31 -1.338 7.495 0.037 261 HG21 ILE 31 HG21 ILE 31 -2.066 4.297 1.997 262 HG22 ILE 31 HG22 ILE 31 -2.300 5.148 3.525 263 HG23 ILE 31 HG23 ILE 31 -0.697 5.060 2.811 264 HD11 ILE 31 HD11 ILE 31 0.770 6.448 -0.309 265 HD12 ILE 31 HD12 ILE 31 0.478 5.295 0.987 266 HD13 ILE 31 HD13 ILE 31 0.698 7.006 1.363 267 H GLU 32 H GLU 32 -4.083 8.107 3.600 268 HA GLU 32 HA GLU 32 -4.770 6.202 5.534 269 HB2 GLU 32 HB2 GLU 32 -5.590 9.123 5.299 270 HB3 GLU 32 HB3 GLU 32 -5.899 8.150 6.735 271 HG2 GLU 32 HG2 GLU 32 -3.468 7.816 7.037 272 HG3 GLU 32 HG3 GLU 32 -3.157 8.789 5.601 273 H LYS 33 H LYS 33 -6.835 7.870 3.204 274 HA LYS 33 HA LYS 33 -9.344 6.892 4.211 275 HB2 LYS 33 HB2 LYS 33 -9.112 9.008 2.929 276 HB3 LYS 33 HB3 LYS 33 -8.662 8.092 1.492 277 HG2 LYS 33 HG2 LYS 33 -10.882 7.033 1.450 278 HG3 LYS 33 HG3 LYS 33 -11.338 7.890 2.925 279 HD2 LYS 33 HD2 LYS 33 -11.085 10.052 1.740 280 HD3 LYS 33 HD3 LYS 33 -10.636 9.187 0.266 281 HE2 LYS 33 HE2 LYS 33 -12.853 8.146 0.172 282 HE3 LYS 33 HE3 LYS 33 -13.306 8.923 1.691 283 HZ1 LYS 33 HZ1 LYS 33 -13.053 11.070 0.614 284 HZ2 LYS 33 HZ2 LYS 33 -14.191 10.116 -0.196 285 HZ3 LYS 33 HZ3 LYS 33 -12.642 10.317 -0.844 286 H LEU 34 H LEU 34 -7.382 6.069 1.310 287 HA LEU 34 HA LEU 34 -8.998 3.970 0.327 288 HB2 LEU 34 HB2 LEU 34 -7.316 5.127 -1.044 289 HB3 LEU 34 HB3 LEU 34 -6.022 4.475 -0.052 290 HG LEU 34 HG LEU 34 -6.633 2.159 -0.841 291 HD11 LEU 34 HD11 LEU 34 -8.987 2.517 -1.423 292 HD12 LEU 34 HD12 LEU 34 -8.095 1.860 -2.790 293 HD13 LEU 34 HD13 LEU 34 -8.514 3.574 -2.758 294 HD21 LEU 34 HD21 LEU 34 -4.801 3.384 -1.921 295 HD22 LEU 34 HD22 LEU 34 -5.935 4.109 -3.063 296 HD23 LEU 34 HD23 LEU 34 -5.651 2.368 -3.081 297 H ALA 35 H ALA 35 -6.308 3.917 2.597 298 HA ALA 35 HA ALA 35 -5.786 1.151 2.771 299 HB1 ALA 35 HB1 ALA 35 -5.369 3.279 4.904 300 HB2 ALA 35 HB2 ALA 35 -4.231 2.876 3.618 301 HB3 ALA 35 HB3 ALA 35 -4.608 1.686 4.863 302 H LYS 36 H LYS 36 -7.994 3.265 4.548 303 HA LYS 36 HA LYS 36 -8.969 1.474 6.483 304 HB2 LYS 36 HB2 LYS 36 -9.311 3.960 6.448 305 HB3 LYS 36 HB3 LYS 36 -10.460 3.763 5.130 306 HG2 LYS 36 HG2 LYS 36 -11.996 2.545 6.572 307 HG3 LYS 36 HG3 LYS 36 -10.815 2.530 7.887 308 HD2 LYS 36 HD2 LYS 36 -10.931 5.047 7.937 309 HD3 LYS 36 HD3 LYS 36 -12.218 4.972 6.732 310 HE2 LYS 36 HE2 LYS 36 -13.620 3.686 8.310 311 HE3 LYS 36 HE3 LYS 36 -12.327 3.746 9.510 312 HZ1 LYS 36 HZ1 LYS 36 -13.983 5.424 9.946 313 HZ2 LYS 36 HZ2 LYS 36 -13.784 6.084 8.402 314 HZ3 LYS 36 HZ3 LYS 36 -12.521 6.161 9.521 315 H ASP 37 H ASP 37 -10.212 2.226 3.209 316 HA ASP 37 HA ASP 37 -12.320 0.379 3.036 317 HB2 ASP 37 HB2 ASP 37 -10.470 1.520 0.903 318 HB3 ASP 37 HB3 ASP 37 -11.850 0.497 0.507 319 H VAL 38 H VAL 38 -8.840 -0.088 2.323 320 HA VAL 38 HA VAL 38 -8.988 -2.743 1.335 321 HB VAL 38 HB VAL 38 -6.621 -1.508 2.836 322 HG11 VAL 38 HG11 VAL 38 -6.410 -3.961 2.664 323 HG12 VAL 38 HG12 VAL 38 -5.217 -3.171 1.635 324 HG13 VAL 38 HG13 VAL 38 -6.666 -3.883 0.918 325 HG21 VAL 38 HG21 VAL 38 -7.157 -1.524 -0.161 326 HG22 VAL 38 HG22 VAL 38 -5.696 -0.917 0.622 327 HG23 VAL 38 HG23 VAL 38 -7.241 -0.118 0.900 328 H LYS 39 H LYS 39 -8.689 -1.475 4.651 329 HA LYS 39 HA LYS 39 -8.312 -3.931 6.018 330 HB2 LYS 39 HB2 LYS 39 -9.555 -1.339 7.021 331 HB3 LYS 39 HB3 LYS 39 -9.088 -2.683 8.056 332 HG2 LYS 39 HG2 LYS 39 -7.233 -0.973 6.380 333 HG3 LYS 39 HG3 LYS 39 -7.406 -0.929 8.137 334 HD2 LYS 39 HD2 LYS 39 -6.593 -3.299 8.227 335 HD3 LYS 39 HD3 LYS 39 -6.334 -3.248 6.481 336 HE2 LYS 39 HE2 LYS 39 -4.230 -2.867 7.650 337 HE3 LYS 39 HE3 LYS 39 -4.713 -1.396 6.800 338 HZ1 LYS 39 HZ1 LYS 39 -5.117 -1.928 9.697 339 HZ2 LYS 39 HZ2 LYS 39 -5.561 -0.512 8.883 340 HZ3 LYS 39 HZ3 LYS 39 -3.927 -0.923 9.037 341 H ASP 40 H ASP 40 -11.302 -2.194 5.119 342 HA ASP 40 HA ASP 40 -13.147 -3.923 6.407 343 HB2 ASP 40 HB2 ASP 40 -13.493 -2.184 3.928 344 HB3 ASP 40 HB3 ASP 40 -14.823 -3.001 4.750 345 H GLU 41 H GLU 41 -11.630 -4.080 3.202 346 HA GLU 41 HA GLU 41 -13.033 -6.432 2.314 347 HB2 GLU 41 HB2 GLU 41 -10.472 -5.156 1.277 348 HB3 GLU 41 HB3 GLU 41 -11.388 -6.408 0.446 349 HG2 GLU 41 HG2 GLU 41 -12.389 -3.614 1.078 350 HG3 GLU 41 HG3 GLU 41 -11.820 -4.176 -0.489 351 H LEU 42 H LEU 42 -9.972 -5.869 3.992 352 HA LEU 42 HA LEU 42 -9.016 -8.547 4.082 353 HB2 LEU 42 HB2 LEU 42 -8.632 -6.206 5.976 354 HB3 LEU 42 HB3 LEU 42 -7.877 -7.764 6.270 355 HG LEU 42 HG LEU 42 -7.377 -6.105 3.766 356 HD11 LEU 42 HD11 LEU 42 -6.553 -4.909 5.750 357 HD12 LEU 42 HD12 LEU 42 -5.228 -5.482 4.743 358 HD13 LEU 42 HD13 LEU 42 -5.632 -6.336 6.234 359 HD21 LEU 42 HD21 LEU 42 -6.968 -8.521 3.464 360 HD22 LEU 42 HD22 LEU 42 -5.897 -8.522 4.866 361 HD23 LEU 42 HD23 LEU 42 -5.462 -7.606 3.420 362 H GLU 43 H GLU 43 -11.455 -6.855 5.989 363 HA GLU 43 HA GLU 43 -11.914 -8.959 7.900 364 HB2 GLU 43 HB2 GLU 43 -12.523 -6.620 8.414 365 HB3 GLU 43 HB3 GLU 43 -13.678 -6.606 7.082 366 HG2 GLU 43 HG2 GLU 43 -15.002 -8.367 8.233 367 HG3 GLU 43 HG3 GLU 43 -13.858 -8.342 9.571 368 H GLU 44 H GLU 44 -13.664 -7.849 4.973 369 HA GLU 44 HA GLU 44 -14.371 -10.460 4.096 370 HB2 GLU 44 HB2 GLU 44 -16.073 -9.703 6.099 371 HB3 GLU 44 HB3 GLU 44 -16.910 -8.949 4.757 372 HG2 GLU 44 HG2 GLU 44 -16.254 -11.902 5.035 373 HG3 GLU 44 HG3 GLU 44 -17.828 -11.164 5.286 374 H GLY 45 H GLY 45 -14.919 -10.418 1.922 375 HA2 GLY 45 HA2 GLY 45 -16.107 -9.009 0.124 376 HA3 GLY 45 HA3 GLY 45 -14.956 -7.757 0.576 377 H ASP 46 H ASP 46 -13.281 -7.621 -0.834 378 HA ASP 46 HA ASP 46 -11.693 -10.012 -1.321 379 HB2 ASP 46 HB2 ASP 46 -13.168 -9.920 -3.337 380 HB3 ASP 46 HB3 ASP 46 -12.575 -8.296 -3.688 381 H ALA 47 H ALA 47 -9.999 -9.302 -0.202 382 HA ALA 47 HA ALA 47 -8.986 -6.641 -0.172 383 HB1 ALA 47 HB1 ALA 47 -8.607 -8.209 1.681 384 HB2 ALA 47 HB2 ALA 47 -7.074 -7.603 1.054 385 HB3 ALA 47 HB3 ALA 47 -7.618 -9.230 0.637 386 H LYS 48 H LYS 48 -8.210 -9.484 -2.148 387 HA LYS 48 HA LYS 48 -5.637 -8.921 -3.017 388 HB2 LYS 48 HB2 LYS 48 -6.866 -11.063 -3.390 389 HB3 LYS 48 HB3 LYS 48 -7.820 -10.276 -4.643 390 HG2 LYS 48 HG2 LYS 48 -5.640 -9.829 -5.882 391 HG3 LYS 48 HG3 LYS 48 -4.833 -10.843 -4.683 392 HD2 LYS 48 HD2 LYS 48 -5.294 -12.183 -6.656 393 HD3 LYS 48 HD3 LYS 48 -6.331 -12.745 -5.342 394 HE2 LYS 48 HE2 LYS 48 -8.214 -11.418 -6.296 395 HE3 LYS 48 HE3 LYS 48 -7.162 -10.918 -7.626 396 HZ1 LYS 48 HZ1 LYS 48 -7.949 -13.706 -6.991 397 HZ2 LYS 48 HZ2 LYS 48 -6.940 -13.239 -8.262 398 HZ3 LYS 48 HZ3 LYS 48 -8.567 -12.772 -8.258 399 H ASN 49 H ASN 49 -8.683 -8.063 -4.705 400 HA ASN 49 HA ASN 49 -7.764 -6.514 -6.814 401 HB2 ASN 49 HB2 ASN 49 -10.144 -7.047 -6.551 402 HB3 ASN 49 HB3 ASN 49 -10.238 -6.107 -5.067 403 HD21 ASN 49 HD21 ASN 49 -11.808 -4.665 -5.754 404 HD22 ASN 49 HD22 ASN 49 -11.576 -3.531 -7.037 405 H MET 50 H MET 50 -8.423 -5.494 -3.491 406 HA MET 50 HA MET 50 -7.928 -2.709 -3.796 407 HB2 MET 50 HB2 MET 50 -7.983 -4.481 -1.328 408 HB3 MET 50 HB3 MET 50 -7.989 -2.721 -1.291 409 HG2 MET 50 HG2 MET 50 -10.125 -4.375 -2.645 410 HG3 MET 50 HG3 MET 50 -10.227 -3.795 -0.984 411 HE1 MET 50 HE1 MET 50 -8.829 -0.857 -1.283 412 HE2 MET 50 HE2 MET 50 -10.215 -1.317 -0.289 413 HE3 MET 50 HE3 MET 50 -10.336 0.057 -1.395 414 H ILE 51 H ILE 51 -5.818 -5.409 -2.985 415 HA ILE 51 HA ILE 51 -3.646 -3.812 -1.930 416 HB ILE 51 HB ILE 51 -3.515 -6.724 -2.858 417 HG12 ILE 51 HG12 ILE 51 -4.032 -5.719 -0.012 418 HG13 ILE 51 HG13 ILE 51 -5.292 -6.305 -1.083 419 HG21 ILE 51 HG21 ILE 51 -1.744 -5.188 -0.904 420 HG22 ILE 51 HG22 ILE 51 -1.308 -5.634 -2.552 421 HG23 ILE 51 HG23 ILE 51 -1.568 -6.891 -1.346 422 HD11 ILE 51 HD11 ILE 51 -2.967 -7.925 -0.055 423 HD12 ILE 51 HD12 ILE 51 -4.251 -8.513 -1.117 424 HD13 ILE 51 HD13 ILE 51 -4.632 -7.990 0.522 425 H GLU 52 H GLU 52 -4.312 -5.532 -4.983 426 HA GLU 52 HA GLU 52 -1.972 -4.721 -6.404 427 HB2 GLU 52 HB2 GLU 52 -4.705 -5.589 -7.444 428 HB3 GLU 52 HB3 GLU 52 -3.270 -5.399 -8.446 429 HG2 GLU 52 HG2 GLU 52 -2.138 -7.196 -7.147 430 HG3 GLU 52 HG3 GLU 52 -3.603 -7.406 -6.189 431 H LYS 53 H LYS 53 -5.177 -3.300 -5.976 432 HA LYS 53 HA LYS 53 -4.825 -1.129 -7.817 433 HB2 LYS 53 HB2 LYS 53 -7.006 -2.132 -6.215 434 HB3 LYS 53 HB3 LYS 53 -6.810 -0.440 -5.790 435 HG2 LYS 53 HG2 LYS 53 -7.234 -1.558 -8.575 436 HG3 LYS 53 HG3 LYS 53 -8.436 -0.713 -7.593 437 HD2 LYS 53 HD2 LYS 53 -7.063 1.348 -7.660 438 HD3 LYS 53 HD3 LYS 53 -5.827 0.507 -8.598 439 HE2 LYS 53 HE2 LYS 53 -7.431 0.222 -10.455 440 HE3 LYS 53 HE3 LYS 53 -8.668 1.057 -9.508 441 HZ1 LYS 53 HZ1 LYS 53 -6.099 2.219 -10.440 442 HZ2 LYS 53 HZ2 LYS 53 -7.232 3.019 -9.478 443 HZ3 LYS 53 HZ3 LYS 53 -7.637 2.569 -11.059 444 H PHE 54 H PHE 54 -4.252 -1.577 -4.362 445 HA PHE 54 HA PHE 54 -3.640 1.076 -3.655 446 HB2 PHE 54 HB2 PHE 54 -3.966 -0.795 -2.003 447 HB3 PHE 54 HB3 PHE 54 -2.408 -1.462 -2.485 448 HD1 PHE 54 HD2 PHE 54 -4.048 1.493 -0.925 449 HD2 PHE 54 HD1 PHE 54 -0.353 -0.567 -1.568 450 HE1 PHE 54 HE2 PHE 54 -2.925 3.018 0.631 451 HE2 PHE 54 HE1 PHE 54 0.765 0.974 -0.026 452 HZ PHE 54 HZ PHE 54 -0.514 2.773 1.060 453 H ARG 55 H ARG 55 -1.654 -1.517 -5.021 454 HA ARG 55 HA ARG 55 0.857 -0.237 -5.122 455 HB2 ARG 55 HB2 ARG 55 0.468 -2.669 -5.569 456 HB3 ARG 55 HB3 ARG 55 -0.331 -2.264 -7.076 457 HG2 ARG 55 HG2 ARG 55 2.290 -1.046 -7.124 458 HG3 ARG 55 HG3 ARG 55 2.485 -2.713 -6.599 459 HD2 ARG 55 HD2 ARG 55 2.726 -2.637 -8.997 460 HD3 ARG 55 HD3 ARG 55 1.199 -3.445 -8.632 461 HE ARG 55 HE ARG 55 0.775 -0.671 -9.065 462 HH11 ARG 55 HH11 ARG 55 1.471 -3.555 -10.854 463 HH12 ARG 55 HH12 ARG 55 0.768 -2.938 -12.308 464 HH21 ARG 55 HH21 ARG 55 -0.121 0.083 -10.943 465 HH22 ARG 55 HH22 ARG 55 -0.135 -0.922 -12.345 466 H ASP 56 H ASP 56 -1.861 -0.277 -7.409 467 HA ASP 56 HA ASP 56 -0.678 1.104 -9.566 468 HB2 ASP 56 HB2 ASP 56 -2.736 -0.325 -9.689 469 HB3 ASP 56 HB3 ASP 56 -3.630 0.919 -8.821 470 H GLU 57 H GLU 57 -2.842 2.316 -6.976 471 HA GLU 57 HA GLU 57 -2.885 5.041 -7.688 472 HB2 GLU 57 HB2 GLU 57 -3.153 3.888 -4.882 473 HB3 GLU 57 HB3 GLU 57 -3.735 5.454 -5.425 474 HG2 GLU 57 HG2 GLU 57 -4.782 2.755 -6.312 475 HG3 GLU 57 HG3 GLU 57 -5.569 3.856 -5.188 476 H MET 58 H MET 58 -0.820 3.298 -5.345 477 HA MET 58 HA MET 58 0.852 5.382 -4.544 478 HB2 MET 58 HB2 MET 58 1.143 2.390 -4.623 479 HB3 MET 58 HB3 MET 58 2.565 3.352 -4.271 480 HG2 MET 58 HG2 MET 58 0.869 4.463 -2.493 481 HG3 MET 58 HG3 MET 58 0.164 2.844 -2.598 482 HE1 MET 58 HE1 MET 58 3.493 4.887 -1.954 483 HE2 MET 58 HE2 MET 58 3.906 3.754 -3.241 484 HE3 MET 58 HE3 MET 58 4.620 3.568 -1.638 485 H GLU 59 H GLU 59 1.216 3.218 -7.344 486 HA GLU 59 HA GLU 59 3.877 3.930 -8.000 487 HB2 GLU 59 HB2 GLU 59 2.550 1.847 -8.725 488 HB3 GLU 59 HB3 GLU 59 1.807 2.864 -9.954 489 HG2 GLU 59 HG2 GLU 59 4.032 3.289 -10.943 490 HG3 GLU 59 HG3 GLU 59 4.779 2.284 -9.702 491 H GLN 60 H GLN 60 0.770 5.321 -8.858 492 HA GLN 60 HA GLN 60 1.580 7.055 -10.957 493 HB2 GLN 60 HB2 GLN 60 -0.790 6.441 -10.469 494 HB3 GLN 60 HB3 GLN 60 -0.721 7.367 -8.974 495 HG2 GLN 60 HG2 GLN 60 -0.367 9.443 -10.287 496 HG3 GLN 60 HG3 GLN 60 -0.450 8.513 -11.779 497 HE21 GLN 60 HE21 GLN 60 -2.277 9.827 -9.119 498 HE22 GLN 60 HE22 GLN 60 -3.844 9.548 -9.788 499 H MET 61 H MET 61 1.047 7.738 -7.450 500 HA MET 61 HA MET 61 1.938 10.483 -7.703 501 HB2 MET 61 HB2 MET 61 1.626 10.571 -5.208 502 HB3 MET 61 HB3 MET 61 0.200 10.097 -6.115 503 HG2 MET 61 HG2 MET 61 0.673 7.725 -5.541 504 HG3 MET 61 HG3 MET 61 2.018 8.278 -4.538 505 HE1 MET 61 HE1 MET 61 -0.390 6.460 -3.555 506 HE2 MET 61 HE2 MET 61 -0.852 7.194 -2.023 507 HE3 MET 61 HE3 MET 61 0.855 6.967 -2.404 508 H TYR 62 H TYR 62 3.508 7.480 -6.868 509 HA TYR 62 HA TYR 62 5.952 8.607 -5.873 510 HB2 TYR 62 HB2 TYR 62 5.516 6.276 -5.367 511 HB3 TYR 62 HB3 TYR 62 5.315 5.878 -7.071 512 HD1 TYR 62 HD1 TYR 62 7.892 7.049 -4.595 513 HD2 TYR 62 HD2 TYR 62 7.201 5.117 -8.350 514 HE1 TYR 62 HE1 TYR 62 10.285 6.534 -4.780 515 HE2 TYR 62 HE2 TYR 62 9.593 4.604 -8.524 516 HH TYR 62 HH TYR 62 11.740 4.858 -5.982 517 H LYS 63 H LYS 63 4.813 7.616 -9.107 518 HA LYS 63 HA LYS 63 7.184 8.272 -10.547 519 HB2 LYS 63 HB2 LYS 63 5.330 6.832 -11.412 520 HB3 LYS 63 HB3 LYS 63 4.299 8.242 -11.549 521 HG2 LYS 63 HG2 LYS 63 6.917 8.192 -13.049 522 HG3 LYS 63 HG3 LYS 63 5.565 7.245 -13.659 523 HD2 LYS 63 HD2 LYS 63 4.186 9.343 -13.734 524 HD3 LYS 63 HD3 LYS 63 5.604 10.260 -13.219 525 HE2 LYS 63 HE2 LYS 63 5.271 10.392 -15.663 526 HE3 LYS 63 HE3 LYS 63 6.796 9.602 -15.261 527 HZ1 LYS 63 HZ1 LYS 63 4.287 8.205 -16.012 528 HZ2 LYS 63 HZ2 LYS 63 5.770 7.467 -15.680 529 HZ3 LYS 63 HZ3 LYS 63 5.607 8.463 -17.035 530 H ASP 64 H ASP 64 4.383 10.163 -9.541 531 HA ASP 64 HA ASP 64 4.970 12.592 -10.902 532 HB2 ASP 64 HB2 ASP 64 2.721 12.021 -9.993 533 HB3 ASP 64 HB3 ASP 64 3.355 12.117 -8.355 534 H ALA 65 H ALA 65 5.826 11.350 -7.674 535 HA ALA 65 HA ALA 65 7.994 13.318 -7.415 536 HB1 ALA 65 HB1 ALA 65 7.314 13.982 -5.144 537 HB2 ALA 65 HB2 ALA 65 5.866 12.980 -5.267 538 HB3 ALA 65 HB3 ALA 65 6.055 14.386 -6.314 539 HA PRO 66 HA PRO 66 9.451 9.163 -5.849 540 HB2 PRO 66 HB2 PRO 66 11.955 9.720 -7.302 541 HB3 PRO 66 HB3 PRO 66 10.822 8.384 -7.530 542 HG2 PRO 66 HG2 PRO 66 11.139 10.379 -9.373 543 HG3 PRO 66 HG3 PRO 66 9.601 9.519 -9.138 544 HD2 PRO 66 HD2 PRO 66 10.444 12.222 -8.066 545 HD3 PRO 66 HD3 PRO 66 8.906 11.746 -8.826 546 H ASN 67 H ASN 67 9.546 10.033 -3.746 547 HA ASN 67 HA ASN 67 11.463 11.990 -2.910 548 HB2 ASN 67 HB2 ASN 67 9.776 10.089 -1.227 549 HB3 ASN 67 HB3 ASN 67 10.646 11.493 -0.613 550 HD21 ASN 67 HD21 ASN 67 7.761 10.932 -0.529 551 HD22 ASN 67 HD22 ASN 67 7.003 12.257 -1.328 552 H ALA 68 H ALA 68 11.287 8.832 -1.220 553 HA ALA 68 HA ALA 68 13.774 7.790 -2.129 554 HB1 ALA 68 HB1 ALA 68 15.151 8.061 -0.099 555 HB2 ALA 68 HB2 ALA 68 13.872 9.014 0.656 556 HB3 ALA 68 HB3 ALA 68 14.709 9.636 -0.765 557 H VAL 69 H VAL 69 12.196 7.772 1.117 558 HA VAL 69 HA VAL 69 12.388 4.983 1.523 559 HB VAL 69 HB VAL 69 12.051 6.627 3.361 560 HG11 VAL 69 HG11 VAL 69 10.383 8.104 2.315 561 HG12 VAL 69 HG12 VAL 69 9.839 7.553 3.897 562 HG13 VAL 69 HG13 VAL 69 9.163 6.833 2.435 563 HG21 VAL 69 HG21 VAL 69 9.917 4.456 3.319 564 HG22 VAL 69 HG22 VAL 69 10.514 5.281 4.761 565 HG23 VAL 69 HG23 VAL 69 11.598 4.257 3.822 566 H MET 70 H MET 70 9.999 6.884 -0.156 567 HA MET 70 HA MET 70 7.823 5.107 -0.214 568 HB2 MET 70 HB2 MET 70 7.894 7.617 -0.827 569 HB3 MET 70 HB3 MET 70 8.458 7.110 -2.412 570 HG2 MET 70 HG2 MET 70 6.394 5.960 -2.858 571 HG3 MET 70 HG3 MET 70 5.853 6.167 -1.188 572 HE1 MET 70 HE1 MET 70 3.297 8.551 -2.821 573 HE2 MET 70 HE2 MET 70 3.565 7.345 -1.562 574 HE3 MET 70 HE3 MET 70 3.765 6.910 -3.263 575 H GLU 71 H GLU 71 10.792 5.140 -2.078 576 HA GLU 71 HA GLU 71 10.158 3.366 -4.184 577 HB2 GLU 71 HB2 GLU 71 12.272 4.592 -4.200 578 HB3 GLU 71 HB3 GLU 71 12.765 3.853 -2.683 579 HG2 GLU 71 HG2 GLU 71 14.041 2.806 -4.401 580 HG3 GLU 71 HG3 GLU 71 12.848 1.627 -3.868 581 H GLN 72 H GLN 72 11.619 2.629 -0.981 582 HA GLN 72 HA GLN 72 11.471 -0.195 -1.263 583 HB2 GLN 72 HB2 GLN 72 11.866 1.554 1.186 584 HB3 GLN 72 HB3 GLN 72 11.798 -0.203 1.300 585 HG2 GLN 72 HG2 GLN 72 13.854 1.463 -0.173 586 HG3 GLN 72 HG3 GLN 72 14.104 0.435 1.235 587 HE21 GLN 72 HE21 GLN 72 13.959 -1.880 0.926 588 HE22 GLN 72 HE22 GLN 72 14.234 -2.586 -0.627 589 H LEU 73 H LEU 73 9.174 2.146 -0.045 590 HA LEU 73 HA LEU 73 7.234 0.321 0.945 591 HB2 LEU 73 HB2 LEU 73 6.981 3.146 -0.134 592 HB3 LEU 73 HB3 LEU 73 5.652 2.277 0.619 593 HG LEU 73 HG LEU 73 8.277 2.806 2.072 594 HD11 LEU 73 HD11 LEU 73 7.200 4.670 3.244 595 HD12 LEU 73 HD12 LEU 73 5.780 4.509 2.210 596 HD13 LEU 73 HD13 LEU 73 7.329 4.982 1.515 597 HD21 LEU 73 HD21 LEU 73 5.538 2.024 3.140 598 HD22 LEU 73 HD22 LEU 73 6.979 2.332 4.111 599 HD23 LEU 73 HD23 LEU 73 6.944 0.961 3.006 600 H LEU 74 H LEU 74 7.861 1.541 -2.383 601 HA LEU 74 HA LEU 74 5.675 0.186 -3.629 602 HB2 LEU 74 HB2 LEU 74 8.168 1.491 -4.630 603 HB3 LEU 74 HB3 LEU 74 7.567 0.205 -5.655 604 HG LEU 74 HG LEU 74 6.717 2.270 -6.519 605 HD11 LEU 74 HD11 LEU 74 4.443 0.899 -5.056 606 HD12 LEU 74 HD12 LEU 74 5.138 0.392 -6.597 607 HD13 LEU 74 HD13 LEU 74 4.303 1.939 -6.478 608 HD21 LEU 74 HD21 LEU 74 5.647 2.880 -3.759 609 HD22 LEU 74 HD22 LEU 74 5.340 3.832 -5.213 610 HD23 LEU 74 HD23 LEU 74 6.979 3.695 -4.582 611 H GLU 75 H GLU 75 9.085 -0.782 -3.083 612 HA GLU 75 HA GLU 75 9.036 -3.327 -4.280 613 HB2 GLU 75 HB2 GLU 75 11.134 -2.204 -3.514 614 HB3 GLU 75 HB3 GLU 75 10.660 -2.480 -1.842 615 HG2 GLU 75 HG2 GLU 75 10.596 -5.013 -2.534 616 HG3 GLU 75 HG3 GLU 75 11.557 -4.499 -3.912 617 H GLU 76 H GLU 76 8.110 -2.284 -1.052 618 HA GLU 76 HA GLU 76 7.879 -4.800 0.212 619 HB2 GLU 76 HB2 GLU 76 8.011 -2.410 1.267 620 HB3 GLU 76 HB3 GLU 76 6.273 -2.346 1.013 621 HG2 GLU 76 HG2 GLU 76 6.754 -2.996 3.298 622 HG3 GLU 76 HG3 GLU 76 5.983 -4.336 2.447 623 H ILE 77 H ILE 77 5.573 -2.815 -1.587 624 HA ILE 77 HA ILE 77 3.285 -4.491 -1.286 625 HB ILE 77 HB ILE 77 3.913 -2.583 -3.594 626 HG12 ILE 77 HG12 ILE 77 2.276 -2.024 -1.071 627 HG13 ILE 77 HG13 ILE 77 3.932 -1.484 -1.314 628 HG21 ILE 77 HG21 ILE 77 1.246 -3.745 -2.664 629 HG22 ILE 77 HG22 ILE 77 2.091 -4.142 -4.161 630 HG23 ILE 77 HG23 ILE 77 1.442 -2.522 -3.924 631 HD11 ILE 77 HD11 ILE 77 3.228 -0.092 -3.181 632 HD12 ILE 77 HD12 ILE 77 2.311 0.284 -1.723 633 HD13 ILE 77 HD13 ILE 77 1.569 -0.671 -3.004 634 H GLU 78 H GLU 78 5.855 -4.310 -3.782 635 HA GLU 78 HA GLU 78 4.786 -6.102 -5.667 636 HB2 GLU 78 HB2 GLU 78 6.735 -4.581 -6.082 637 HB3 GLU 78 HB3 GLU 78 7.736 -5.621 -5.075 638 HG2 GLU 78 HG2 GLU 78 7.026 -7.517 -6.742 639 HG3 GLU 78 HG3 GLU 78 6.559 -6.197 -7.803 640 H LYS 79 H LYS 79 7.043 -6.732 -2.985 641 HA LYS 79 HA LYS 79 7.319 -9.534 -3.448 642 HB2 LYS 79 HB2 LYS 79 8.548 -9.607 -1.330 643 HB3 LYS 79 HB3 LYS 79 9.088 -8.286 -2.350 644 HG2 LYS 79 HG2 LYS 79 7.423 -6.854 -0.866 645 HG3 LYS 79 HG3 LYS 79 7.628 -8.181 0.278 646 HD2 LYS 79 HD2 LYS 79 9.843 -6.459 -0.902 647 HD3 LYS 79 HD3 LYS 79 9.225 -6.358 0.745 648 HE2 LYS 79 HE2 LYS 79 10.101 -8.601 1.230 649 HE3 LYS 79 HE3 LYS 79 10.653 -8.767 -0.439 650 HZ1 LYS 79 HZ1 LYS 79 12.129 -6.868 -0.083 651 HZ2 LYS 79 HZ2 LYS 79 12.472 -8.136 0.982 652 HZ3 LYS 79 HZ3 LYS 79 11.637 -6.775 1.533 653 H LEU 80 H LEU 80 5.077 -7.630 -1.497 654 HA LEU 80 HA LEU 80 3.757 -9.741 -0.124 655 HB2 LEU 80 HB2 LEU 80 3.490 -7.197 0.196 656 HB3 LEU 80 HB3 LEU 80 2.435 -7.206 -1.199 657 HG LEU 80 HG LEU 80 1.847 -8.764 1.365 658 HD11 LEU 80 HD11 LEU 80 0.280 -6.984 1.968 659 HD12 LEU 80 HD12 LEU 80 0.776 -6.045 0.559 660 HD13 LEU 80 HD13 LEU 80 1.925 -6.367 1.859 661 HD21 LEU 80 HD21 LEU 80 0.602 -9.653 -0.554 662 HD22 LEU 80 HD22 LEU 80 -0.005 -8.041 -0.935 663 HD23 LEU 80 HD23 LEU 80 -0.489 -8.839 0.566 664 H LEU 81 H LEU 81 2.996 -8.163 -3.257 665 HA LEU 81 HA LEU 81 0.833 -9.775 -4.059 666 HB2 LEU 81 HB2 LEU 81 2.703 -7.905 -5.504 667 HB3 LEU 81 HB3 LEU 81 1.657 -8.930 -6.471 668 HG LEU 81 HG LEU 81 -0.345 -7.921 -5.493 669 HD11 LEU 81 HD11 LEU 81 1.499 -6.216 -3.810 670 HD12 LEU 81 HD12 LEU 81 0.440 -7.498 -3.220 671 HD13 LEU 81 HD13 LEU 81 -0.251 -6.042 -3.932 672 HD21 LEU 81 HD21 LEU 81 0.632 -6.794 -7.444 673 HD22 LEU 81 HD22 LEU 81 1.616 -5.781 -6.385 674 HD23 LEU 81 HD23 LEU 81 -0.144 -5.632 -6.370 675 H LYS 82 H LYS 82 4.266 -10.252 -4.363 676 HA LYS 82 HA LYS 82 4.349 -12.288 -6.314 677 HB2 LYS 82 HB2 LYS 82 6.254 -10.823 -5.076 678 HB3 LYS 82 HB3 LYS 82 6.356 -12.240 -4.046 679 HG2 LYS 82 HG2 LYS 82 8.045 -12.363 -5.790 680 HG3 LYS 82 HG3 LYS 82 6.849 -13.638 -6.043 681 HD2 LYS 82 HD2 LYS 82 7.481 -12.541 -8.183 682 HD3 LYS 82 HD3 LYS 82 5.769 -12.326 -7.827 683 HE2 LYS 82 HE2 LYS 82 6.700 -10.237 -8.688 684 HE3 LYS 82 HE3 LYS 82 6.254 -10.020 -6.996 685 HZ1 LYS 82 HZ1 LYS 82 8.598 -10.349 -6.413 686 HZ2 LYS 82 HZ2 LYS 82 8.385 -9.027 -7.441 687 HZ3 LYS 82 HZ3 LYS 82 8.992 -10.481 -8.049 688 H LYS 83 H LYS 83 4.291 -12.477 -2.744 689 HA LYS 83 HA LYS 83 3.796 -15.308 -2.595 690 HB2 LYS 83 HB2 LYS 83 3.932 -13.056 -0.594 691 HB3 LYS 83 HB3 LYS 83 3.108 -14.532 -0.103 692 HG2 LYS 83 HG2 LYS 83 5.411 -14.627 0.635 693 HG3 LYS 83 HG3 LYS 83 5.143 -15.843 -0.612 694 HD2 LYS 83 HD2 LYS 83 6.158 -14.178 -2.277 695 HD3 LYS 83 HD3 LYS 83 6.631 -13.207 -0.880 696 HE2 LYS 83 HE2 LYS 83 7.503 -16.061 -1.459 697 HE3 LYS 83 HE3 LYS 83 8.494 -14.612 -1.628 698 HZ1 LYS 83 HZ1 LYS 83 8.368 -14.262 0.740 699 HZ2 LYS 83 HZ2 LYS 83 8.943 -15.820 0.425 700 HZ3 LYS 83 HZ3 LYS 83 7.346 -15.598 0.927 701 H ALA 84 H ALA 84 1.698 -12.525 -2.906 702 HA ALA 84 HA ALA 84 -0.638 -13.571 -1.663 703 HB1 ALA 84 HB1 ALA 84 -1.823 -11.650 -2.603 704 HB2 ALA 84 HB2 ALA 84 -0.462 -11.309 -3.676 705 HB3 ALA 84 HB3 ALA 84 -0.270 -11.150 -1.930 706 H GLY 85 H GLY 85 -1.132 -15.578 -2.451 707 HA2 GLY 85 HA2 GLY 85 -3.008 -15.874 -4.471 708 HA3 GLY 85 HA3 GLY 85 -1.457 -16.287 -5.199 709 H SER 86 H SER 86 -2.111 -18.472 -5.487 710 HA SER 86 HA SER 86 -1.633 -20.202 -3.195 711 HB2 SER 86 HB2 SER 86 -4.069 -19.826 -3.000 712 HB3 SER 86 HB3 SER 86 -4.304 -20.313 -4.676 713 HG SER 86 HG SER 86 -4.753 -21.989 -3.131 714 H LEU 87 H LEU 87 -1.379 -22.476 -3.778 715 HA LEU 87 HA LEU 87 -0.717 -24.266 -4.995 716 HB2 LEU 87 HB2 LEU 87 -2.858 -23.848 -6.212 717 HB3 LEU 87 HB3 LEU 87 -2.007 -22.828 -7.355 718 HG LEU 87 HG LEU 87 -0.729 -24.826 -8.158 719 HD11 LEU 87 HD11 LEU 87 -0.763 -26.205 -6.145 720 HD12 LEU 87 HD12 LEU 87 -1.425 -27.095 -7.512 721 HD13 LEU 87 HD13 LEU 87 -2.511 -26.424 -6.293 722 HD21 LEU 87 HD21 LEU 87 -2.775 -24.128 -9.330 723 HD22 LEU 87 HD22 LEU 87 -3.742 -25.176 -8.290 724 HD23 LEU 87 HD23 LEU 87 -2.561 -25.876 -9.401 725 H VAL 88 H VAL 88 0.947 -21.606 -4.977 726 HA VAL 88 HA VAL 88 2.676 -21.971 -7.316 727 HB VAL 88 HB VAL 88 2.104 -19.682 -6.849 728 HG11 VAL 88 HG11 VAL 88 1.565 -19.810 -4.460 729 HG12 VAL 88 HG12 VAL 88 2.685 -18.486 -4.774 730 HG13 VAL 88 HG13 VAL 88 3.278 -19.987 -4.061 731 HG21 VAL 88 HG21 VAL 88 5.018 -20.132 -6.079 732 HG22 VAL 88 HG22 VAL 88 4.333 -18.627 -6.696 733 HG23 VAL 88 HG23 VAL 88 4.377 -20.057 -7.725 734 HA PRO 89 HA PRO 89 5.635 -24.224 -4.602 735 HB2 PRO 89 HB2 PRO 89 6.421 -26.074 -6.355 736 HB3 PRO 89 HB3 PRO 89 4.745 -26.067 -5.791 737 HG2 PRO 89 HG2 PRO 89 5.865 -25.126 -8.414 738 HG3 PRO 89 HG3 PRO 89 4.329 -25.952 -8.082 739 HD2 PRO 89 HD2 PRO 89 4.733 -23.126 -8.359 740 HD3 PRO 89 HD3 PRO 89 3.244 -23.937 -7.838 741 H ARG 90 H ARG 90 7.994 -24.987 -5.015 742 HA ARG 90 HA ARG 90 10.193 -24.633 -5.388 743 HB2 ARG 90 HB2 ARG 90 9.244 -23.673 -8.120 744 HB3 ARG 90 HB3 ARG 90 10.875 -24.210 -7.728 745 HG2 ARG 90 HG2 ARG 90 9.969 -26.480 -7.218 746 HG3 ARG 90 HG3 ARG 90 8.372 -25.924 -7.718 747 HD2 ARG 90 HD2 ARG 90 9.303 -25.426 -9.983 748 HD3 ARG 90 HD3 ARG 90 10.853 -26.097 -9.471 749 HE ARG 90 HE ARG 90 8.383 -27.554 -10.041 750 HH11 ARG 90 HH11 ARG 90 11.651 -27.768 -8.908 751 HH12 ARG 90 HH12 ARG 90 11.739 -29.467 -9.196 752 HH21 ARG 90 HH21 ARG 90 8.533 -29.718 -10.385 753 HH22 ARG 90 HH22 ARG 90 9.992 -30.563 -10.007 754 H GLY 91 H GLY 91 8.935 -22.455 -4.038 755 HA2 GLY 91 HA2 GLY 91 9.826 -19.919 -5.151 756 HA3 GLY 91 HA3 GLY 91 8.997 -20.169 -3.631 757 H SER 92 H SER 92 12.158 -20.736 -5.172 758 HA SER 92 HA SER 92 14.288 -20.301 -4.595 759 HB2 SER 92 HB2 SER 92 13.072 -18.535 -2.441 760 HB3 SER 92 HB3 SER 92 14.789 -18.559 -2.849 761 HG SER 92 HG SER 92 12.935 -17.107 -3.969 762 H TYR 93 H TYR 93 16.028 -20.668 -3.035 763 HA TYR 93 HA TYR 93 15.515 -22.979 -1.331 764 HB2 TYR 93 HB2 TYR 93 18.110 -21.623 -2.186 765 HB3 TYR 93 HB3 TYR 93 18.049 -23.041 -1.141 766 HD1 TYR 93 HD2 TYR 93 16.890 -21.877 -4.544 767 HD2 TYR 93 HD1 TYR 93 18.162 -25.186 -2.154 768 HE1 TYR 93 HE2 TYR 93 16.864 -23.321 -6.525 769 HE2 TYR 93 HE1 TYR 93 18.129 -26.630 -4.140 770 HH TYR 93 HH TYR 93 16.971 -26.663 -6.381 771 H LEU 94 H LEU 94 14.478 -22.220 0.490 772 HA LEU 94 HA LEU 94 15.437 -19.936 2.013 773 HB2 LEU 94 HB2 LEU 94 12.949 -21.064 1.682 774 HB3 LEU 94 HB3 LEU 94 13.400 -21.784 3.213 775 HG LEU 94 HG LEU 94 13.142 -18.810 2.617 776 HD11 LEU 94 HD11 LEU 94 11.262 -18.877 4.198 777 HD12 LEU 94 HD12 LEU 94 11.479 -20.619 4.393 778 HD13 LEU 94 HD13 LEU 94 10.992 -19.957 2.832 779 HD21 LEU 94 HD21 LEU 94 13.945 -20.129 5.227 780 HD22 LEU 94 HD22 LEU 94 13.574 -18.417 5.015 781 HD23 LEU 94 HD23 LEU 94 14.972 -19.120 4.207 782 H GLU 95 H GLU 95 17.518 -20.515 2.646 783 HA GLU 95 HA GLU 95 18.246 -22.997 3.871 784 HB2 GLU 95 HB2 GLU 95 19.728 -20.335 3.860 785 HB3 GLU 95 HB3 GLU 95 20.428 -21.896 4.285 786 HG2 GLU 95 HG2 GLU 95 19.986 -22.693 1.967 787 HG3 GLU 95 HG3 GLU 95 19.358 -21.100 1.561 788 H HIS 96 H HIS 96 18.101 -19.691 5.242 789 HA HIS 96 HA HIS 96 18.130 -20.627 7.996 790 HB2 HIS 96 HB2 HIS 96 17.686 -17.784 6.976 791 HB3 HIS 96 HB3 HIS 96 18.183 -18.257 8.597 792 HD1 HIS 96 HD1 HIS 96 19.515 -17.319 5.316 793 HD2 HIS 96 HD2 HIS 96 20.920 -19.330 8.665 794 HE1 HIS 96 HE1 HIS 96 22.005 -17.351 5.090 795 HE2 HIS 96 HE2 HIS 96 22.811 -18.732 7.022 796 H HIS 97 H HIS 97 16.122 -21.945 7.615 797 HA HIS 97 HA HIS 97 13.615 -20.501 7.154 798 HB2 HIS 97 HB2 HIS 97 12.606 -22.813 7.026 799 HB3 HIS 97 HB3 HIS 97 13.874 -22.492 5.854 800 HD1 HIS 97 HD1 HIS 97 16.057 -23.856 6.044 801 HD2 HIS 97 HD2 HIS 97 13.225 -24.817 8.933 802 HE1 HIS 97 HE1 HIS 97 16.845 -25.998 7.078 803 HE2 HIS 97 HE2 HIS 97 14.998 -26.671 8.645 804 H HIS 98 H HIS 98 15.073 -22.464 9.761 805 HA HIS 98 HA HIS 98 13.743 -21.124 11.855 806 HB2 HIS 98 HB2 HIS 98 11.789 -22.483 10.929 807 HB3 HIS 98 HB3 HIS 98 12.653 -23.944 11.398 808 HD1 HIS 98 HD1 HIS 98 12.470 -24.642 13.843 809 HD2 HIS 98 HD2 HIS 98 10.919 -20.854 13.139 810 HE1 HIS 98 HE1 HIS 98 11.357 -23.966 15.975 811 HE2 HIS 98 HE2 HIS 98 10.251 -21.774 15.456 812 H HIS 99 H HIS 99 14.622 -21.637 13.877 813 HA HIS 99 HA HIS 99 17.016 -23.237 14.019 814 HB2 HIS 99 HB2 HIS 99 15.377 -21.852 16.189 815 HB3 HIS 99 HB3 HIS 99 16.933 -22.623 16.467 816 HD1 HIS 99 HD1 HIS 99 15.408 -19.473 15.372 817 HD2 HIS 99 HD2 HIS 99 19.148 -21.268 15.133 818 HE1 HIS 99 HE1 HIS 99 17.005 -17.627 14.812 819 HE2 HIS 99 HE2 HIS 99 19.276 -18.705 14.855 820 H HIS 100 H HIS 100 17.119 -24.725 16.213 821 HA HIS 100 HA HIS 100 14.788 -26.402 16.588 822 HB2 HIS 100 HB2 HIS 100 16.072 -28.537 15.920 823 HB3 HIS 100 HB3 HIS 100 15.469 -27.520 14.622 824 HD1 HIS 100 HD1 HIS 100 17.104 -26.835 12.895 825 HD2 HIS 100 HD2 HIS 100 19.006 -28.184 16.332 826 HE1 HIS 100 HE1 HIS 100 19.533 -26.954 12.314 827 HE2 HIS 100 HE2 HIS 100 20.678 -27.574 14.459 828 H HIS 101 H HIS 101 14.697 -27.178 18.568 829 HA HIS 101 HA HIS 101 17.133 -27.401 20.258 830 HB2 HIS 101 HB2 HIS 101 14.233 -26.787 20.988 831 HB3 HIS 101 HB3 HIS 101 15.440 -27.234 22.191 832 HD1 HIS 101 HD1 HIS 101 17.057 -25.443 22.946 833 HD2 HIS 101 HD2 HIS 101 14.706 -24.212 19.753 834 HE1 HIS 101 HE1 HIS 101 17.484 -22.986 22.713 835 HE2 HIS 101 HE2 HIS 101 15.923 -22.239 20.885 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -8.224 -18.580 6.778 2 H2 MET 1 H2 MET 1 -7.868 -18.399 8.417 3 H3 MET 1 H3 MET 1 -7.837 -19.928 7.717 4 HA MET 1 HA MET 1 -5.986 -19.300 6.319 5 HB2 MET 1 HB2 MET 1 -5.978 -16.704 7.931 6 HB3 MET 1 HB3 MET 1 -4.836 -17.147 6.670 7 HG2 MET 1 HG2 MET 1 -6.687 -17.049 5.018 8 HG3 MET 1 HG3 MET 1 -7.768 -16.500 6.299 9 HE1 MET 1 HE1 MET 1 -8.358 -14.288 4.856 10 HE2 MET 1 HE2 MET 1 -7.291 -14.861 3.572 11 HE3 MET 1 HE3 MET 1 -7.122 -13.219 4.194 12 H GLN 2 H GLN 2 -4.674 -20.844 7.275 13 HA GLN 2 HA GLN 2 -4.094 -20.798 10.134 14 HB2 GLN 2 HB2 GLN 2 -4.541 -22.955 8.966 15 HB3 GLN 2 HB3 GLN 2 -3.100 -22.720 7.980 16 HG2 GLN 2 HG2 GLN 2 -1.695 -22.806 10.012 17 HG3 GLN 2 HG3 GLN 2 -3.135 -23.032 11.001 18 HE21 GLN 2 HE21 GLN 2 -0.985 -24.551 8.696 19 HE22 GLN 2 HE22 GLN 2 -1.543 -26.169 8.942 20 H GLU 3 H GLU 3 -2.731 -19.197 10.659 21 HA GLU 3 HA GLU 3 -0.828 -18.111 11.116 22 HB2 GLU 3 HB2 GLU 3 0.500 -20.586 9.964 23 HB3 GLU 3 HB3 GLU 3 1.329 -19.358 10.919 24 HG2 GLU 3 HG2 GLU 3 -0.153 -19.873 12.836 25 HG3 GLU 3 HG3 GLU 3 -0.934 -21.135 11.880 26 H GLU 4 H GLU 4 0.473 -19.649 8.166 27 HA GLU 4 HA GLU 4 2.172 -17.595 7.448 28 HB2 GLU 4 HB2 GLU 4 2.335 -19.920 6.624 29 HB3 GLU 4 HB3 GLU 4 0.889 -19.695 5.653 30 HG2 GLU 4 HG2 GLU 4 2.806 -19.595 4.198 31 HG3 GLU 4 HG3 GLU 4 2.111 -17.977 4.299 32 H ARG 5 H ARG 5 -1.012 -18.281 5.976 33 HA ARG 5 HA ARG 5 -0.899 -16.166 4.056 34 HB2 ARG 5 HB2 ARG 5 -2.257 -18.461 4.094 35 HB3 ARG 5 HB3 ARG 5 -3.505 -17.509 4.878 36 HG2 ARG 5 HG2 ARG 5 -2.317 -16.791 2.174 37 HG3 ARG 5 HG3 ARG 5 -3.724 -17.834 2.362 38 HD2 ARG 5 HD2 ARG 5 -4.920 -15.951 3.492 39 HD3 ARG 5 HD3 ARG 5 -3.514 -14.925 3.197 40 HE ARG 5 HE ARG 5 -4.104 -14.749 0.985 41 HH11 ARG 5 HH11 ARG 5 -6.067 -17.234 2.402 42 HH12 ARG 5 HH12 ARG 5 -7.101 -17.339 1.022 43 HH21 ARG 5 HH21 ARG 5 -5.454 -14.910 -0.755 44 HH22 ARG 5 HH22 ARG 5 -6.762 -16.037 -0.736 45 H LYS 6 H LYS 6 -2.364 -16.471 7.265 46 HA LYS 6 HA LYS 6 -3.788 -13.979 7.251 47 HB2 LYS 6 HB2 LYS 6 -4.297 -15.991 8.723 48 HB3 LYS 6 HB3 LYS 6 -2.880 -15.583 9.678 49 HG2 LYS 6 HG2 LYS 6 -4.982 -14.796 10.714 50 HG3 LYS 6 HG3 LYS 6 -3.880 -13.465 10.346 51 HD2 LYS 6 HD2 LYS 6 -5.175 -12.842 8.385 52 HD3 LYS 6 HD3 LYS 6 -6.192 -14.279 8.539 53 HE2 LYS 6 HE2 LYS 6 -7.255 -13.436 10.489 54 HE3 LYS 6 HE3 LYS 6 -6.061 -12.152 10.691 55 HZ1 LYS 6 HZ1 LYS 6 -8.002 -12.353 8.458 56 HZ2 LYS 6 HZ2 LYS 6 -6.887 -11.105 8.696 57 HZ3 LYS 6 HZ3 LYS 6 -8.150 -11.330 9.795 58 H LYS 7 H LYS 7 -0.583 -14.979 8.235 59 HA LYS 7 HA LYS 7 0.220 -12.706 9.749 60 HB2 LYS 7 HB2 LYS 7 1.199 -15.042 9.822 61 HB3 LYS 7 HB3 LYS 7 2.004 -14.700 8.291 62 HG2 LYS 7 HG2 LYS 7 3.313 -12.919 9.327 63 HG3 LYS 7 HG3 LYS 7 2.425 -13.103 10.846 64 HD2 LYS 7 HD2 LYS 7 3.295 -15.454 11.012 65 HD3 LYS 7 HD3 LYS 7 4.266 -15.160 9.566 66 HE2 LYS 7 HE2 LYS 7 5.496 -13.386 10.736 67 HE3 LYS 7 HE3 LYS 7 4.490 -13.617 12.168 68 HZ1 LYS 7 HZ1 LYS 7 5.338 -15.870 12.355 69 HZ2 LYS 7 HZ2 LYS 7 6.600 -14.749 12.395 70 HZ3 LYS 7 HZ3 LYS 7 6.311 -15.644 10.994 71 H LEU 8 H LEU 8 0.395 -13.550 6.346 72 HA LEU 8 HA LEU 8 1.871 -11.476 5.220 73 HB2 LEU 8 HB2 LEU 8 0.860 -13.465 4.076 74 HB3 LEU 8 HB3 LEU 8 -0.716 -12.711 4.167 75 HG LEU 8 HG LEU 8 1.561 -11.392 2.623 76 HD11 LEU 8 HD11 LEU 8 1.335 -13.676 1.775 77 HD12 LEU 8 HD12 LEU 8 0.799 -12.488 0.593 78 HD13 LEU 8 HD13 LEU 8 -0.392 -13.419 1.508 79 HD21 LEU 8 HD21 LEU 8 -1.460 -11.195 2.266 80 HD22 LEU 8 HD22 LEU 8 -0.240 -10.355 1.301 81 HD23 LEU 8 HD23 LEU 8 -0.426 -9.969 3.007 82 H LEU 9 H LEU 9 -1.452 -11.429 6.479 83 HA LEU 9 HA LEU 9 -2.129 -8.830 5.437 84 HB2 LEU 9 HB2 LEU 9 -3.577 -10.251 7.683 85 HB3 LEU 9 HB3 LEU 9 -4.219 -9.057 6.566 86 HG LEU 9 HG LEU 9 -3.582 -11.975 6.016 87 HD11 LEU 9 HD11 LEU 9 -5.953 -12.130 5.406 88 HD12 LEU 9 HD12 LEU 9 -6.172 -10.420 5.774 89 HD13 LEU 9 HD13 LEU 9 -5.751 -11.554 7.060 90 HD21 LEU 9 HD21 LEU 9 -4.240 -11.638 3.655 91 HD22 LEU 9 HD22 LEU 9 -2.763 -10.767 4.055 92 HD23 LEU 9 HD23 LEU 9 -4.289 -9.894 3.917 93 H GLU 10 H GLU 10 -0.910 -10.052 8.559 94 HA GLU 10 HA GLU 10 -0.879 -7.633 10.029 95 HB2 GLU 10 HB2 GLU 10 0.884 -10.110 10.143 96 HB3 GLU 10 HB3 GLU 10 1.231 -8.721 11.165 97 HG2 GLU 10 HG2 GLU 10 0.022 -10.277 12.485 98 HG3 GLU 10 HG3 GLU 10 -1.066 -8.938 12.151 99 H LYS 11 H LYS 11 1.448 -8.983 7.731 100 HA LYS 11 HA LYS 11 3.332 -6.848 7.769 101 HB2 LYS 11 HB2 LYS 11 3.938 -9.045 6.902 102 HB3 LYS 11 HB3 LYS 11 2.684 -8.967 5.680 103 HG2 LYS 11 HG2 LYS 11 4.687 -8.621 4.517 104 HG3 LYS 11 HG3 LYS 11 3.977 -7.018 4.647 105 HD2 LYS 11 HD2 LYS 11 6.104 -7.985 6.593 106 HD3 LYS 11 HD3 LYS 11 6.536 -7.290 5.035 107 HE2 LYS 11 HE2 LYS 11 5.327 -5.205 5.672 108 HE3 LYS 11 HE3 LYS 11 5.003 -5.904 7.260 109 HZ1 LYS 11 HZ1 LYS 11 7.354 -5.988 7.691 110 HZ2 LYS 11 HZ2 LYS 11 6.940 -4.418 7.232 111 HZ3 LYS 11 HZ3 LYS 11 7.713 -5.440 6.138 112 H LEU 12 H LEU 12 0.374 -7.427 5.897 113 HA LEU 12 HA LEU 12 0.741 -5.549 3.840 114 HB2 LEU 12 HB2 LEU 12 -0.870 -7.457 3.820 115 HB3 LEU 12 HB3 LEU 12 -1.878 -6.616 4.975 116 HG LEU 12 HG LEU 12 -2.591 -6.616 2.468 117 HD11 LEU 12 HD11 LEU 12 -2.514 -3.950 3.912 118 HD12 LEU 12 HD12 LEU 12 -3.726 -5.215 4.123 119 HD13 LEU 12 HD13 LEU 12 -3.586 -4.383 2.577 120 HD21 LEU 12 HD21 LEU 12 -0.378 -6.026 1.519 121 HD22 LEU 12 HD22 LEU 12 -0.481 -4.431 2.269 122 HD23 LEU 12 HD23 LEU 12 -1.636 -4.896 1.017 123 H GLU 13 H GLU 13 -1.287 -5.206 6.796 124 HA GLU 13 HA GLU 13 -1.844 -2.454 6.448 125 HB2 GLU 13 HB2 GLU 13 -1.948 -4.205 8.924 126 HB3 GLU 13 HB3 GLU 13 -2.377 -2.495 8.973 127 HG2 GLU 13 HG2 GLU 13 -4.107 -2.946 7.187 128 HG3 GLU 13 HG3 GLU 13 -3.749 -4.665 7.360 129 H LYS 14 H LYS 14 0.961 -4.046 7.900 130 HA LYS 14 HA LYS 14 2.035 -1.705 9.153 131 HB2 LYS 14 HB2 LYS 14 2.709 -4.099 9.680 132 HB3 LYS 14 HB3 LYS 14 3.638 -4.109 8.182 133 HG2 LYS 14 HG2 LYS 14 4.981 -2.185 9.037 134 HG3 LYS 14 HG3 LYS 14 4.069 -2.249 10.547 135 HD2 LYS 14 HD2 LYS 14 4.904 -4.646 10.820 136 HD3 LYS 14 HD3 LYS 14 5.980 -4.347 9.450 137 HE2 LYS 14 HE2 LYS 14 5.968 -2.881 12.110 138 HE3 LYS 14 HE3 LYS 14 7.199 -4.002 11.532 139 HZ1 LYS 14 HZ1 LYS 14 7.968 -1.787 11.245 140 HZ2 LYS 14 HZ2 LYS 14 6.563 -1.325 10.431 141 HZ3 LYS 14 HZ3 LYS 14 7.635 -2.408 9.711 142 H ILE 15 H ILE 15 2.374 -3.079 5.874 143 HA ILE 15 HA ILE 15 4.279 -1.209 4.875 144 HB ILE 15 HB ILE 15 2.107 -2.729 3.348 145 HG12 ILE 15 HG12 ILE 15 5.086 -3.353 3.678 146 HG13 ILE 15 HG13 ILE 15 3.778 -4.188 4.505 147 HG21 ILE 15 HG21 ILE 15 3.430 -2.266 1.283 148 HG22 ILE 15 HG22 ILE 15 4.527 -1.245 2.216 149 HG23 ILE 15 HG23 ILE 15 2.837 -0.777 2.020 150 HD11 ILE 15 HD11 ILE 15 4.279 -4.174 1.539 151 HD12 ILE 15 HD12 ILE 15 2.944 -4.998 2.353 152 HD13 ILE 15 HD13 ILE 15 4.608 -5.489 2.664 153 H LEU 16 H LEU 16 0.701 -1.267 4.714 154 HA LEU 16 HA LEU 16 0.216 1.250 3.596 155 HB2 LEU 16 HB2 LEU 16 -1.370 -0.569 5.412 156 HB3 LEU 16 HB3 LEU 16 -1.998 1.031 5.065 157 HG LEU 16 HG LEU 16 -2.221 0.533 2.698 158 HD11 LEU 16 HD11 LEU 16 -0.943 -2.173 3.201 159 HD12 LEU 16 HD12 LEU 16 -0.218 -0.830 2.315 160 HD13 LEU 16 HD13 LEU 16 -1.657 -1.624 1.681 161 HD21 LEU 16 HD21 LEU 16 -3.897 -1.268 2.763 162 HD22 LEU 16 HD22 LEU 16 -4.059 -0.201 4.154 163 HD23 LEU 16 HD23 LEU 16 -3.300 -1.783 4.345 164 H ASP 17 H ASP 17 0.970 0.408 6.940 165 HA ASP 17 HA ASP 17 0.530 2.951 8.149 166 HB2 ASP 17 HB2 ASP 17 0.659 0.933 9.511 167 HB3 ASP 17 HB3 ASP 17 2.302 0.610 8.970 168 H GLU 18 H GLU 18 3.428 1.401 6.784 169 HA GLU 18 HA GLU 18 5.153 3.649 7.296 170 HB2 GLU 18 HB2 GLU 18 5.553 1.089 5.724 171 HB3 GLU 18 HB3 GLU 18 6.812 2.315 5.891 172 HG2 GLU 18 HG2 GLU 18 6.631 2.080 8.394 173 HG3 GLU 18 HG3 GLU 18 5.495 0.755 8.141 174 H VAL 19 H VAL 19 3.064 2.781 4.667 175 HA VAL 19 HA VAL 19 4.111 4.654 2.747 176 HB VAL 19 HB VAL 19 1.401 3.242 2.890 177 HG11 VAL 19 HG11 VAL 19 1.029 3.954 0.546 178 HG12 VAL 19 HG12 VAL 19 2.495 4.940 0.613 179 HG13 VAL 19 HG13 VAL 19 1.120 5.333 1.642 180 HG21 VAL 19 HG21 VAL 19 3.825 2.735 1.103 181 HG22 VAL 19 HG22 VAL 19 2.296 1.848 1.046 182 HG23 VAL 19 HG23 VAL 19 3.323 1.744 2.473 183 H THR 20 H THR 20 1.413 4.769 5.149 184 HA THR 20 HA THR 20 0.765 7.533 4.748 185 HB THR 20 HB THR 20 -0.319 7.456 7.019 186 HG1 THR 20 HG1 THR 20 0.250 4.703 7.187 187 HG21 THR 20 HG21 THR 20 -1.015 5.042 5.308 188 HG22 THR 20 HG22 THR 20 -1.638 6.677 5.081 189 HG23 THR 20 HG23 THR 20 -2.047 5.777 6.540 190 H ASP 21 H ASP 21 3.252 5.900 6.595 191 HA ASP 21 HA ASP 21 4.133 8.099 8.207 192 HB2 ASP 21 HB2 ASP 21 4.549 5.732 8.799 193 HB3 ASP 21 HB3 ASP 21 5.556 5.537 7.371 194 H GLY 22 H GLY 22 5.367 6.642 5.179 195 HA2 GLY 22 HA2 GLY 22 7.246 8.848 4.684 196 HA3 GLY 22 HA3 GLY 22 7.110 7.354 3.769 197 H ALA 23 H ALA 23 4.231 9.122 4.501 198 HA ALA 23 HA ALA 23 3.566 9.561 1.739 199 HB1 ALA 23 HB1 ALA 23 1.439 10.412 2.632 200 HB2 ALA 23 HB2 ALA 23 2.107 10.381 4.267 201 HB3 ALA 23 HB3 ALA 23 1.877 8.874 3.379 202 HA PRO 24 HA PRO 24 4.874 13.999 1.577 203 HB2 PRO 24 HB2 PRO 24 3.327 13.883 -0.990 204 HB3 PRO 24 HB3 PRO 24 4.986 14.429 -0.703 205 HG2 PRO 24 HG2 PRO 24 4.519 12.088 -1.925 206 HG3 PRO 24 HG3 PRO 24 5.858 12.252 -0.766 207 HD2 PRO 24 HD2 PRO 24 3.119 11.040 -0.339 208 HD3 PRO 24 HD3 PRO 24 4.714 10.425 0.164 209 H ASP 25 H ASP 25 3.530 16.049 1.075 210 HA ASP 25 HA ASP 25 1.673 16.303 3.136 211 HB2 ASP 25 HB2 ASP 25 1.928 18.202 0.766 212 HB3 ASP 25 HB3 ASP 25 1.351 18.606 2.379 213 H GLU 26 H GLU 26 0.788 16.945 -0.292 214 HA GLU 26 HA GLU 26 -2.038 16.570 0.241 215 HB2 GLU 26 HB2 GLU 26 -2.347 17.143 -2.156 216 HB3 GLU 26 HB3 GLU 26 -1.353 18.321 -1.307 217 HG2 GLU 26 HG2 GLU 26 0.678 17.376 -2.299 218 HG3 GLU 26 HG3 GLU 26 -0.269 16.122 -3.094 219 H ALA 27 H ALA 27 0.531 14.555 -0.994 220 HA ALA 27 HA ALA 27 -1.023 12.684 -2.488 221 HB1 ALA 27 HB1 ALA 27 1.695 12.287 -1.196 222 HB2 ALA 27 HB2 ALA 27 1.398 12.906 -2.821 223 HB3 ALA 27 HB3 ALA 27 0.968 11.244 -2.420 224 H ARG 28 H ARG 28 -0.280 12.983 0.936 225 HA ARG 28 HA ARG 28 -0.790 10.411 1.890 226 HB2 ARG 28 HB2 ARG 28 0.070 12.428 3.218 227 HB3 ARG 28 HB3 ARG 28 -1.606 12.954 3.363 228 HG2 ARG 28 HG2 ARG 28 -2.044 10.605 4.405 229 HG3 ARG 28 HG3 ARG 28 -0.290 10.493 4.557 230 HD2 ARG 28 HD2 ARG 28 -1.137 11.283 6.657 231 HD3 ARG 28 HD3 ARG 28 -0.365 12.665 5.868 232 HE ARG 28 HE ARG 28 -3.259 12.318 5.542 233 HH11 ARG 28 HH11 ARG 28 -0.707 14.147 6.992 234 HH12 ARG 28 HH12 ARG 28 -1.777 15.396 7.514 235 HH21 ARG 28 HH21 ARG 28 -4.575 13.926 6.214 236 HH22 ARG 28 HH22 ARG 28 -3.931 15.263 7.101 237 H GLU 29 H GLU 29 -3.058 12.918 0.935 238 HA GLU 29 HA GLU 29 -5.415 12.130 2.204 239 HB2 GLU 29 HB2 GLU 29 -5.110 13.471 -0.513 240 HB3 GLU 29 HB3 GLU 29 -6.577 13.460 0.458 241 HG2 GLU 29 HG2 GLU 29 -3.953 14.809 1.144 242 HG3 GLU 29 HG3 GLU 29 -5.461 15.600 0.680 243 H ARG 30 H ARG 30 -4.161 11.070 -0.959 244 HA ARG 30 HA ARG 30 -6.212 9.290 -1.720 245 HB2 ARG 30 HB2 ARG 30 -3.247 9.448 -2.308 246 HB3 ARG 30 HB3 ARG 30 -4.163 8.070 -2.889 247 HG2 ARG 30 HG2 ARG 30 -4.886 10.928 -3.570 248 HG3 ARG 30 HG3 ARG 30 -3.793 9.941 -4.543 249 HD2 ARG 30 HD2 ARG 30 -5.957 9.788 -5.552 250 HD3 ARG 30 HD3 ARG 30 -5.642 8.242 -4.755 251 HE ARG 30 HE ARG 30 -7.215 10.245 -3.303 252 HH11 ARG 30 HH11 ARG 30 -7.243 7.291 -5.127 253 HH12 ARG 30 HH12 ARG 30 -8.817 6.849 -4.557 254 HH21 ARG 30 HH21 ARG 30 -9.206 9.635 -2.598 255 HH22 ARG 30 HH22 ARG 30 -9.906 8.158 -3.156 256 H ILE 31 H ILE 31 -3.292 8.784 0.217 257 HA ILE 31 HA ILE 31 -3.483 5.964 0.474 258 HB ILE 31 HB ILE 31 -2.038 7.845 2.412 259 HG12 ILE 31 HG12 ILE 31 -0.921 6.691 -0.185 260 HG13 ILE 31 HG13 ILE 31 -1.468 8.352 -0.002 261 HG21 ILE 31 HG21 ILE 31 -1.451 4.956 1.624 262 HG22 ILE 31 HG22 ILE 31 -2.151 5.488 3.153 263 HG23 ILE 31 HG23 ILE 31 -0.496 5.933 2.744 264 HD11 ILE 31 HD11 ILE 31 0.830 7.086 1.476 265 HD12 ILE 31 HD12 ILE 31 0.295 8.764 1.615 266 HD13 ILE 31 HD13 ILE 31 0.941 8.167 0.088 267 H GLU 32 H GLU 32 -4.672 8.644 2.481 268 HA GLU 32 HA GLU 32 -5.165 7.308 4.890 269 HB2 GLU 32 HB2 GLU 32 -6.502 9.769 3.705 270 HB3 GLU 32 HB3 GLU 32 -6.771 9.231 5.359 271 HG2 GLU 32 HG2 GLU 32 -4.092 10.059 4.209 272 HG3 GLU 32 HG3 GLU 32 -5.134 11.084 5.183 273 H LYS 33 H LYS 33 -7.491 8.091 2.295 274 HA LYS 33 HA LYS 33 -9.680 6.688 3.506 275 HB2 LYS 33 HB2 LYS 33 -9.995 8.653 2.032 276 HB3 LYS 33 HB3 LYS 33 -9.366 7.742 0.659 277 HG2 LYS 33 HG2 LYS 33 -11.266 6.209 0.748 278 HG3 LYS 33 HG3 LYS 33 -11.864 6.981 2.220 279 HD2 LYS 33 HD2 LYS 33 -12.210 9.095 0.942 280 HD3 LYS 33 HD3 LYS 33 -11.665 8.278 -0.528 281 HE2 LYS 33 HE2 LYS 33 -13.559 6.733 -0.407 282 HE3 LYS 33 HE3 LYS 33 -14.075 7.440 1.126 283 HZ1 LYS 33 HZ1 LYS 33 -13.940 8.908 -1.445 284 HZ2 LYS 33 HZ2 LYS 33 -14.545 9.494 0.019 285 HZ3 LYS 33 HZ3 LYS 33 -15.345 8.243 -0.786 286 H LEU 34 H LEU 34 -7.427 5.921 0.833 287 HA LEU 34 HA LEU 34 -8.789 3.568 -0.022 288 HB2 LEU 34 HB2 LEU 34 -7.298 4.895 -1.488 289 HB3 LEU 34 HB3 LEU 34 -5.911 4.373 -0.541 290 HG LEU 34 HG LEU 34 -6.290 2.022 -1.248 291 HD11 LEU 34 HD11 LEU 34 -8.725 2.025 -1.523 292 HD12 LEU 34 HD12 LEU 34 -7.945 1.455 -2.994 293 HD13 LEU 34 HD13 LEU 34 -8.592 3.096 -2.921 294 HD21 LEU 34 HD21 LEU 34 -4.797 3.409 -2.592 295 HD22 LEU 34 HD22 LEU 34 -6.153 3.966 -3.578 296 HD23 LEU 34 HD23 LEU 34 -5.663 2.270 -3.620 297 H ALA 35 H ALA 35 -5.885 4.002 2.039 298 HA ALA 35 HA ALA 35 -5.255 1.296 2.498 299 HB1 ALA 35 HB1 ALA 35 -3.733 3.133 3.137 300 HB2 ALA 35 HB2 ALA 35 -4.025 2.043 4.492 301 HB3 ALA 35 HB3 ALA 35 -4.838 3.611 4.430 302 H LYS 36 H LYS 36 -7.428 3.473 4.299 303 HA LYS 36 HA LYS 36 -8.296 1.703 6.320 304 HB2 LYS 36 HB2 LYS 36 -8.629 4.238 6.168 305 HB3 LYS 36 HB3 LYS 36 -9.938 3.946 5.036 306 HG2 LYS 36 HG2 LYS 36 -9.961 2.780 7.840 307 HG3 LYS 36 HG3 LYS 36 -10.533 4.415 7.515 308 HD2 LYS 36 HD2 LYS 36 -12.253 3.527 5.995 309 HD3 LYS 36 HD3 LYS 36 -11.643 1.891 6.243 310 HE2 LYS 36 HE2 LYS 36 -12.241 2.052 8.650 311 HE3 LYS 36 HE3 LYS 36 -12.911 3.662 8.359 312 HZ1 LYS 36 HZ1 LYS 36 -14.514 2.702 6.857 313 HZ2 LYS 36 HZ2 LYS 36 -14.611 1.918 8.353 314 HZ3 LYS 36 HZ3 LYS 36 -13.841 1.161 7.048 315 H ASP 37 H ASP 37 -9.548 2.317 3.033 316 HA ASP 37 HA ASP 37 -11.843 0.660 3.187 317 HB2 ASP 37 HB2 ASP 37 -11.439 2.509 1.500 318 HB3 ASP 37 HB3 ASP 37 -10.323 1.438 0.660 319 H VAL 38 H VAL 38 -8.497 -0.028 2.158 320 HA VAL 38 HA VAL 38 -8.821 -2.693 1.276 321 HB VAL 38 HB VAL 38 -6.359 -1.487 2.654 322 HG11 VAL 38 HG11 VAL 38 -6.281 -3.958 2.707 323 HG12 VAL 38 HG12 VAL 38 -5.067 -3.328 1.593 324 HG13 VAL 38 HG13 VAL 38 -6.564 -4.024 0.964 325 HG21 VAL 38 HG21 VAL 38 -6.947 -1.767 -0.331 326 HG22 VAL 38 HG22 VAL 38 -5.455 -1.142 0.379 327 HG23 VAL 38 HG23 VAL 38 -6.964 -0.262 0.591 328 H LYS 39 H LYS 39 -8.357 -1.335 4.529 329 HA LYS 39 HA LYS 39 -7.970 -3.766 5.951 330 HB2 LYS 39 HB2 LYS 39 -8.989 -1.077 6.942 331 HB3 LYS 39 HB3 LYS 39 -8.437 -2.392 7.981 332 HG2 LYS 39 HG2 LYS 39 -6.181 -2.222 7.103 333 HG3 LYS 39 HG3 LYS 39 -6.693 -1.034 5.904 334 HD2 LYS 39 HD2 LYS 39 -7.243 0.556 7.735 335 HD3 LYS 39 HD3 LYS 39 -6.694 -0.637 8.918 336 HE2 LYS 39 HE2 LYS 39 -4.422 -0.562 7.913 337 HE3 LYS 39 HE3 LYS 39 -4.980 0.670 6.774 338 HZ1 LYS 39 HZ1 LYS 39 -5.462 2.112 8.643 339 HZ2 LYS 39 HZ2 LYS 39 -3.842 1.652 8.649 340 HZ3 LYS 39 HZ3 LYS 39 -4.928 0.936 9.727 341 H ASP 40 H ASP 40 -10.924 -1.947 5.146 342 HA ASP 40 HA ASP 40 -12.796 -3.499 6.617 343 HB2 ASP 40 HB2 ASP 40 -13.203 -2.015 3.980 344 HB3 ASP 40 HB3 ASP 40 -14.493 -2.587 5.038 345 H GLU 41 H GLU 41 -11.692 -3.724 3.245 346 HA GLU 41 HA GLU 41 -12.999 -6.103 2.452 347 HB2 GLU 41 HB2 GLU 41 -10.411 -4.818 1.479 348 HB3 GLU 41 HB3 GLU 41 -11.235 -6.121 0.630 349 HG2 GLU 41 HG2 GLU 41 -12.516 -3.428 1.199 350 HG3 GLU 41 HG3 GLU 41 -11.624 -3.797 -0.274 351 H LEU 42 H LEU 42 -9.990 -5.557 4.152 352 HA LEU 42 HA LEU 42 -8.743 -8.082 3.781 353 HB2 LEU 42 HB2 LEU 42 -7.691 -5.803 4.413 354 HB3 LEU 42 HB3 LEU 42 -8.262 -6.103 6.044 355 HG LEU 42 HG LEU 42 -6.896 -8.230 6.015 356 HD11 LEU 42 HD11 LEU 42 -5.730 -7.051 3.483 357 HD12 LEU 42 HD12 LEU 42 -6.657 -8.548 3.620 358 HD13 LEU 42 HD13 LEU 42 -5.069 -8.429 4.370 359 HD21 LEU 42 HD21 LEU 42 -4.739 -7.121 6.463 360 HD22 LEU 42 HD22 LEU 42 -6.077 -6.248 7.205 361 HD23 LEU 42 HD23 LEU 42 -5.346 -5.637 5.718 362 H GLU 43 H GLU 43 -10.833 -6.650 6.239 363 HA GLU 43 HA GLU 43 -10.807 -8.754 8.157 364 HB2 GLU 43 HB2 GLU 43 -11.523 -6.414 8.666 365 HB3 GLU 43 HB3 GLU 43 -12.937 -6.635 7.640 366 HG2 GLU 43 HG2 GLU 43 -13.741 -8.431 9.165 367 HG3 GLU 43 HG3 GLU 43 -12.354 -8.145 10.213 368 H GLU 44 H GLU 44 -12.910 -8.026 5.381 369 HA GLU 44 HA GLU 44 -14.866 -10.012 5.707 370 HB2 GLU 44 HB2 GLU 44 -13.792 -8.619 3.226 371 HB3 GLU 44 HB3 GLU 44 -15.096 -9.797 3.125 372 HG2 GLU 44 HG2 GLU 44 -15.194 -7.248 4.768 373 HG3 GLU 44 HG3 GLU 44 -15.890 -7.440 3.160 374 H GLY 45 H GLY 45 -11.896 -10.165 3.694 375 HA2 GLY 45 HA2 GLY 45 -11.076 -12.730 4.347 376 HA3 GLY 45 HA3 GLY 45 -12.207 -12.936 3.011 377 H ASP 46 H ASP 46 -11.724 -11.836 0.969 378 HA ASP 46 HA ASP 46 -8.868 -11.904 0.388 379 HB2 ASP 46 HB2 ASP 46 -9.487 -11.800 -1.981 380 HB3 ASP 46 HB3 ASP 46 -10.384 -13.066 -1.152 381 H ALA 47 H ALA 47 -7.609 -10.269 -0.250 382 HA ALA 47 HA ALA 47 -8.696 -7.572 -0.818 383 HB1 ALA 47 HB1 ALA 47 -6.446 -8.089 1.170 384 HB2 ALA 47 HB2 ALA 47 -8.085 -7.578 1.580 385 HB3 ALA 47 HB3 ALA 47 -7.038 -6.507 0.647 386 H LYS 48 H LYS 48 -7.126 -10.047 -2.110 387 HA LYS 48 HA LYS 48 -4.578 -9.309 -2.950 388 HB2 LYS 48 HB2 LYS 48 -5.460 -11.552 -3.347 389 HB3 LYS 48 HB3 LYS 48 -6.708 -10.921 -4.414 390 HG2 LYS 48 HG2 LYS 48 -4.864 -10.192 -5.996 391 HG3 LYS 48 HG3 LYS 48 -3.719 -11.058 -4.963 392 HD2 LYS 48 HD2 LYS 48 -4.694 -13.177 -5.473 393 HD3 LYS 48 HD3 LYS 48 -6.144 -12.441 -6.161 394 HE2 LYS 48 HE2 LYS 48 -3.365 -12.232 -7.368 395 HE3 LYS 48 HE3 LYS 48 -4.610 -13.365 -7.892 396 HZ1 LYS 48 HZ1 LYS 48 -6.019 -11.495 -8.478 397 HZ2 LYS 48 HZ2 LYS 48 -4.546 -11.409 -9.298 398 HZ3 LYS 48 HZ3 LYS 48 -4.831 -10.403 -7.973 399 H ASN 49 H ASN 49 -7.649 -8.754 -4.720 400 HA ASN 49 HA ASN 49 -6.740 -7.078 -6.772 401 HB2 ASN 49 HB2 ASN 49 -8.998 -8.070 -6.786 402 HB3 ASN 49 HB3 ASN 49 -9.455 -7.141 -5.368 403 HD21 ASN 49 HD21 ASN 49 -8.819 -6.964 -8.809 404 HD22 ASN 49 HD22 ASN 49 -9.564 -5.428 -9.061 405 H MET 50 H MET 50 -7.805 -6.277 -3.473 406 HA MET 50 HA MET 50 -7.711 -3.441 -3.687 407 HB2 MET 50 HB2 MET 50 -7.608 -5.271 -1.264 408 HB3 MET 50 HB3 MET 50 -7.739 -3.519 -1.153 409 HG2 MET 50 HG2 MET 50 -9.738 -5.327 -2.520 410 HG3 MET 50 HG3 MET 50 -9.915 -4.623 -0.913 411 HE1 MET 50 HE1 MET 50 -8.608 -1.684 -1.419 412 HE2 MET 50 HE2 MET 50 -10.043 -2.021 -0.455 413 HE3 MET 50 HE3 MET 50 -10.095 -0.787 -1.719 414 H ILE 51 H ILE 51 -5.212 -5.793 -2.945 415 HA ILE 51 HA ILE 51 -3.242 -3.925 -1.969 416 HB ILE 51 HB ILE 51 -2.889 -6.760 -3.078 417 HG12 ILE 51 HG12 ILE 51 -2.955 -5.877 -0.142 418 HG13 ILE 51 HG13 ILE 51 -4.328 -6.572 -0.991 419 HG21 ILE 51 HG21 ILE 51 -0.685 -6.782 -1.941 420 HG22 ILE 51 HG22 ILE 51 -0.904 -5.095 -1.467 421 HG23 ILE 51 HG23 ILE 51 -0.761 -5.523 -3.172 422 HD11 ILE 51 HD11 ILE 51 -3.229 -8.224 0.371 423 HD12 ILE 51 HD12 ILE 51 -1.699 -7.937 -0.455 424 HD13 ILE 51 HD13 ILE 51 -3.061 -8.639 -1.334 425 H GLU 52 H GLU 52 -3.986 -5.482 -5.080 426 HA GLU 52 HA GLU 52 -1.961 -4.261 -6.675 427 HB2 GLU 52 HB2 GLU 52 -4.666 -5.421 -7.465 428 HB3 GLU 52 HB3 GLU 52 -3.380 -5.018 -8.600 429 HG2 GLU 52 HG2 GLU 52 -1.916 -6.714 -7.591 430 HG3 GLU 52 HG3 GLU 52 -3.140 -7.079 -6.381 431 H LYS 53 H LYS 53 -5.222 -3.271 -5.766 432 HA LYS 53 HA LYS 53 -5.416 -0.983 -7.514 433 HB2 LYS 53 HB2 LYS 53 -7.049 -1.941 -5.133 434 HB3 LYS 53 HB3 LYS 53 -7.362 -0.365 -5.853 435 HG2 LYS 53 HG2 LYS 53 -7.522 -3.020 -7.326 436 HG3 LYS 53 HG3 LYS 53 -8.900 -2.113 -6.691 437 HD2 LYS 53 HD2 LYS 53 -8.306 -0.204 -8.185 438 HD3 LYS 53 HD3 LYS 53 -6.972 -1.149 -8.848 439 HE2 LYS 53 HE2 LYS 53 -8.534 -2.774 -9.781 440 HE3 LYS 53 HE3 LYS 53 -9.895 -1.955 -9.009 441 HZ1 LYS 53 HZ1 LYS 53 -8.151 -0.819 -11.131 442 HZ2 LYS 53 HZ2 LYS 53 -9.402 0.005 -10.358 443 HZ3 LYS 53 HZ3 LYS 53 -9.753 -1.335 -11.322 444 H PHE 54 H PHE 54 -4.529 -1.495 -4.127 445 HA PHE 54 HA PHE 54 -4.063 1.206 -3.428 446 HB2 PHE 54 HB2 PHE 54 -4.276 -0.666 -1.748 447 HB3 PHE 54 HB3 PHE 54 -2.692 -1.258 -2.245 448 HD1 PHE 54 HD2 PHE 54 -4.473 1.560 -0.600 449 HD2 PHE 54 HD1 PHE 54 -0.642 -0.156 -1.450 450 HE1 PHE 54 HE2 PHE 54 -3.417 3.148 0.939 451 HE2 PHE 54 HE1 PHE 54 0.408 1.453 0.083 452 HZ PHE 54 HZ PHE 54 -0.971 3.110 1.265 453 H ARG 55 H ARG 55 -2.067 -1.288 -4.878 454 HA ARG 55 HA ARG 55 0.449 -0.023 -4.818 455 HB2 ARG 55 HB2 ARG 55 -0.087 -2.490 -5.257 456 HB3 ARG 55 HB3 ARG 55 -0.509 -2.040 -6.901 457 HG2 ARG 55 HG2 ARG 55 2.226 -1.423 -5.762 458 HG3 ARG 55 HG3 ARG 55 1.856 -3.014 -6.413 459 HD2 ARG 55 HD2 ARG 55 1.442 -2.082 -8.611 460 HD3 ARG 55 HD3 ARG 55 1.596 -0.433 -7.985 461 HE ARG 55 HE ARG 55 3.935 -1.956 -7.460 462 HH11 ARG 55 HH11 ARG 55 2.347 -0.315 -10.057 463 HH12 ARG 55 HH12 ARG 55 3.828 0.039 -10.861 464 HH21 ARG 55 HH21 ARG 55 5.801 -1.521 -8.538 465 HH22 ARG 55 HH22 ARG 55 5.750 -0.647 -10.033 466 H ASP 56 H ASP 56 -2.136 -0.017 -7.279 467 HA ASP 56 HA ASP 56 -0.734 1.290 -9.350 468 HB2 ASP 56 HB2 ASP 56 -2.926 -0.003 -9.530 469 HB3 ASP 56 HB3 ASP 56 -3.742 1.410 -8.871 470 H GLU 57 H GLU 57 -2.966 2.615 -6.889 471 HA GLU 57 HA GLU 57 -2.630 5.369 -7.490 472 HB2 GLU 57 HB2 GLU 57 -3.427 4.011 -4.876 473 HB3 GLU 57 HB3 GLU 57 -3.566 5.740 -5.181 474 HG2 GLU 57 HG2 GLU 57 -5.009 3.595 -6.768 475 HG3 GLU 57 HG3 GLU 57 -5.710 4.484 -5.418 476 H MET 58 H MET 58 -0.953 3.218 -5.190 477 HA MET 58 HA MET 58 0.716 5.019 -3.891 478 HB2 MET 58 HB2 MET 58 0.384 2.692 -3.165 479 HB3 MET 58 HB3 MET 58 1.247 2.100 -4.582 480 HG2 MET 58 HG2 MET 58 2.596 2.081 -2.490 481 HG3 MET 58 HG3 MET 58 3.312 3.047 -3.786 482 HE1 MET 58 HE1 MET 58 4.897 4.457 -2.302 483 HE2 MET 58 HE2 MET 58 4.439 3.406 -0.958 484 HE3 MET 58 HE3 MET 58 4.424 5.159 -0.758 485 H GLU 59 H GLU 59 1.219 3.347 -6.976 486 HA GLU 59 HA GLU 59 3.848 4.289 -7.492 487 HB2 GLU 59 HB2 GLU 59 2.919 2.334 -8.681 488 HB3 GLU 59 HB3 GLU 59 1.705 3.356 -9.449 489 HG2 GLU 59 HG2 GLU 59 3.479 4.594 -10.643 490 HG3 GLU 59 HG3 GLU 59 4.709 3.611 -9.853 491 H GLN 60 H GLN 60 0.625 5.597 -8.174 492 HA GLN 60 HA GLN 60 1.408 7.730 -9.895 493 HB2 GLN 60 HB2 GLN 60 -0.956 6.767 -9.577 494 HB3 GLN 60 HB3 GLN 60 -1.051 7.703 -8.091 495 HG2 GLN 60 HG2 GLN 60 -2.151 9.047 -9.670 496 HG3 GLN 60 HG3 GLN 60 -0.549 9.774 -9.571 497 HE21 GLN 60 HE21 GLN 60 -2.468 9.961 -11.731 498 HE22 GLN 60 HE22 GLN 60 -1.689 9.342 -13.142 499 H MET 61 H MET 61 0.998 7.510 -6.362 500 HA MET 61 HA MET 61 1.370 10.325 -5.840 501 HB2 MET 61 HB2 MET 61 1.358 7.882 -4.023 502 HB3 MET 61 HB3 MET 61 1.511 9.533 -3.427 503 HG2 MET 61 HG2 MET 61 -0.683 10.104 -4.329 504 HG3 MET 61 HG3 MET 61 -0.838 8.491 -5.031 505 HE1 MET 61 HE1 MET 61 -0.008 6.395 -2.948 506 HE2 MET 61 HE2 MET 61 -1.594 6.372 -3.719 507 HE3 MET 61 HE3 MET 61 -1.456 6.217 -1.964 508 H TYR 62 H TYR 62 3.436 7.450 -5.696 509 HA TYR 62 HA TYR 62 5.864 8.665 -4.923 510 HB2 TYR 62 HB2 TYR 62 5.792 6.279 -4.859 511 HB3 TYR 62 HB3 TYR 62 5.191 6.162 -6.511 512 HD1 TYR 62 HD1 TYR 62 8.227 7.334 -4.611 513 HD2 TYR 62 HD2 TYR 62 6.723 5.630 -8.236 514 HE1 TYR 62 HE1 TYR 62 10.513 7.095 -5.462 515 HE2 TYR 62 HE2 TYR 62 9.013 5.383 -9.068 516 HH TYR 62 HH TYR 62 11.750 5.792 -7.074 517 H LYS 63 H LYS 63 4.401 8.174 -8.120 518 HA LYS 63 HA LYS 63 6.414 9.142 -9.810 519 HB2 LYS 63 HB2 LYS 63 4.427 7.952 -10.642 520 HB3 LYS 63 HB3 LYS 63 3.380 9.250 -10.088 521 HG2 LYS 63 HG2 LYS 63 4.617 10.767 -11.741 522 HG3 LYS 63 HG3 LYS 63 5.321 9.299 -12.419 523 HD2 LYS 63 HD2 LYS 63 2.340 9.908 -12.217 524 HD3 LYS 63 HD3 LYS 63 3.309 10.051 -13.683 525 HE2 LYS 63 HE2 LYS 63 2.848 7.463 -12.161 526 HE3 LYS 63 HE3 LYS 63 1.952 7.962 -13.597 527 HZ1 LYS 63 HZ1 LYS 63 4.875 7.482 -13.464 528 HZ2 LYS 63 HZ2 LYS 63 4.017 7.959 -14.839 529 HZ3 LYS 63 HZ3 LYS 63 3.731 6.445 -14.146 530 H ASP 64 H ASP 64 3.824 10.827 -8.101 531 HA ASP 64 HA ASP 64 4.273 13.427 -9.167 532 HB2 ASP 64 HB2 ASP 64 2.124 12.565 -8.101 533 HB3 ASP 64 HB3 ASP 64 2.908 12.718 -6.532 534 H ALA 65 H ALA 65 5.290 11.831 -6.121 535 HA ALA 65 HA ALA 65 7.371 13.899 -5.700 536 HB1 ALA 65 HB1 ALA 65 5.427 14.493 -4.296 537 HB2 ALA 65 HB2 ALA 65 6.824 14.043 -3.315 538 HB3 ALA 65 HB3 ALA 65 5.492 12.904 -3.531 539 HA PRO 66 HA PRO 66 9.348 9.669 -5.188 540 HB2 PRO 66 HB2 PRO 66 11.547 10.871 -6.799 541 HB3 PRO 66 HB3 PRO 66 10.632 9.387 -7.091 542 HG2 PRO 66 HG2 PRO 66 10.312 11.585 -8.642 543 HG3 PRO 66 HG3 PRO 66 8.958 10.490 -8.279 544 HD2 PRO 66 HD2 PRO 66 9.648 13.143 -6.990 545 HD3 PRO 66 HD3 PRO 66 8.068 12.543 -7.554 546 H ASN 67 H ASN 67 10.028 9.697 -3.094 547 HA ASN 67 HA ASN 67 12.216 11.545 -2.258 548 HB2 ASN 67 HB2 ASN 67 11.245 11.353 0.069 549 HB3 ASN 67 HB3 ASN 67 10.197 12.155 -1.088 550 HD21 ASN 67 HD21 ASN 67 8.277 11.119 -1.744 551 HD22 ASN 67 HD22 ASN 67 7.626 9.779 -0.869 552 H ALA 68 H ALA 68 12.506 8.876 -3.464 553 HA ALA 68 HA ALA 68 13.920 7.129 -3.406 554 HB1 ALA 68 HB1 ALA 68 15.541 8.680 -2.376 555 HB2 ALA 68 HB2 ALA 68 15.765 7.027 -1.807 556 HB3 ALA 68 HB3 ALA 68 14.969 8.214 -0.771 557 H VAL 69 H VAL 69 13.095 7.397 0.088 558 HA VAL 69 HA VAL 69 12.862 4.673 0.671 559 HB VAL 69 HB VAL 69 11.433 7.017 2.014 560 HG11 VAL 69 HG11 VAL 69 11.986 4.242 3.138 561 HG12 VAL 69 HG12 VAL 69 10.404 4.908 2.733 562 HG13 VAL 69 HG13 VAL 69 11.338 5.607 4.054 563 HG21 VAL 69 HG21 VAL 69 13.355 7.037 3.581 564 HG22 VAL 69 HG22 VAL 69 13.872 7.335 1.922 565 HG23 VAL 69 HG23 VAL 69 14.130 5.749 2.652 566 H MET 70 H MET 70 10.409 6.913 -0.556 567 HA MET 70 HA MET 70 8.115 5.317 -0.253 568 HB2 MET 70 HB2 MET 70 8.255 7.813 -0.821 569 HB3 MET 70 HB3 MET 70 8.538 7.339 -2.490 570 HG2 MET 70 HG2 MET 70 6.361 6.324 -2.634 571 HG3 MET 70 HG3 MET 70 6.099 6.525 -0.900 572 HE1 MET 70 HE1 MET 70 3.466 9.044 -2.142 573 HE2 MET 70 HE2 MET 70 3.829 7.732 -1.019 574 HE3 MET 70 HE3 MET 70 3.814 7.429 -2.759 575 H GLU 71 H GLU 71 10.578 5.299 -2.801 576 HA GLU 71 HA GLU 71 9.273 3.672 -4.732 577 HB2 GLU 71 HB2 GLU 71 11.389 4.979 -5.128 578 HB3 GLU 71 HB3 GLU 71 12.260 3.834 -4.115 579 HG2 GLU 71 HG2 GLU 71 11.559 2.017 -5.753 580 HG3 GLU 71 HG3 GLU 71 10.961 3.296 -6.807 581 H GLN 72 H GLN 72 11.343 2.859 -1.966 582 HA GLN 72 HA GLN 72 11.510 0.066 -2.303 583 HB2 GLN 72 HB2 GLN 72 12.968 1.408 -0.789 584 HB3 GLN 72 HB3 GLN 72 11.598 1.695 0.278 585 HG2 GLN 72 HG2 GLN 72 11.487 -0.674 0.844 586 HG3 GLN 72 HG3 GLN 72 12.749 -1.048 -0.328 587 HE21 GLN 72 HE21 GLN 72 14.906 -0.401 0.137 588 HE22 GLN 72 HE22 GLN 72 15.414 -0.031 1.744 589 H LEU 73 H LEU 73 9.124 2.106 -0.652 590 HA LEU 73 HA LEU 73 7.497 0.114 0.515 591 HB2 LEU 73 HB2 LEU 73 6.765 2.908 -0.442 592 HB3 LEU 73 HB3 LEU 73 5.739 1.906 0.575 593 HG LEU 73 HG LEU 73 8.503 2.890 1.388 594 HD11 LEU 73 HD11 LEU 73 7.373 4.485 2.863 595 HD12 LEU 73 HD12 LEU 73 5.804 3.974 2.238 596 HD13 LEU 73 HD13 LEU 73 6.956 4.784 1.175 597 HD21 LEU 73 HD21 LEU 73 7.890 2.135 3.652 598 HD22 LEU 73 HD22 LEU 73 7.874 0.791 2.515 599 HD23 LEU 73 HD23 LEU 73 6.352 1.514 3.042 600 H LEU 74 H LEU 74 7.426 1.508 -2.791 601 HA LEU 74 HA LEU 74 5.110 0.209 -3.759 602 HB2 LEU 74 HB2 LEU 74 7.610 1.238 -5.110 603 HB3 LEU 74 HB3 LEU 74 6.554 0.182 -6.031 604 HG LEU 74 HG LEU 74 4.666 1.818 -5.619 605 HD11 LEU 74 HD11 LEU 74 5.191 4.095 -4.925 606 HD12 LEU 74 HD12 LEU 74 6.864 3.635 -4.597 607 HD13 LEU 74 HD13 LEU 74 5.551 2.948 -3.637 608 HD21 LEU 74 HD21 LEU 74 7.088 2.876 -7.123 609 HD22 LEU 74 HD22 LEU 74 5.422 3.421 -7.334 610 HD23 LEU 74 HD23 LEU 74 5.863 1.769 -7.754 611 H GLU 75 H GLU 75 8.515 -0.878 -3.802 612 HA GLU 75 HA GLU 75 8.032 -3.400 -5.010 613 HB2 GLU 75 HB2 GLU 75 10.368 -2.533 -3.277 614 HB3 GLU 75 HB3 GLU 75 10.323 -4.004 -4.250 615 HG2 GLU 75 HG2 GLU 75 10.061 -2.603 -6.293 616 HG3 GLU 75 HG3 GLU 75 10.205 -1.171 -5.287 617 H GLU 76 H GLU 76 7.974 -2.377 -1.625 618 HA GLU 76 HA GLU 76 7.930 -4.923 -0.413 619 HB2 GLU 76 HB2 GLU 76 6.787 -2.280 0.565 620 HB3 GLU 76 HB3 GLU 76 6.777 -3.747 1.538 621 HG2 GLU 76 HG2 GLU 76 9.200 -2.208 0.569 622 HG3 GLU 76 HG3 GLU 76 8.638 -2.405 2.229 623 H ILE 77 H ILE 77 5.380 -3.052 -1.940 624 HA ILE 77 HA ILE 77 3.202 -4.775 -1.241 625 HB ILE 77 HB ILE 77 3.494 -2.937 -3.665 626 HG12 ILE 77 HG12 ILE 77 2.176 -2.385 -0.953 627 HG13 ILE 77 HG13 ILE 77 3.729 -1.741 -1.473 628 HG21 ILE 77 HG21 ILE 77 0.985 -4.181 -2.459 629 HG22 ILE 77 HG22 ILE 77 1.705 -4.586 -4.019 630 HG23 ILE 77 HG23 ILE 77 1.008 -2.990 -3.762 631 HD11 ILE 77 HD11 ILE 77 2.597 -0.497 -3.262 632 HD12 ILE 77 HD12 ILE 77 2.004 -0.076 -1.656 633 HD13 ILE 77 HD13 ILE 77 1.046 -1.126 -2.698 634 H GLU 78 H GLU 78 5.435 -4.632 -4.077 635 HA GLU 78 HA GLU 78 4.445 -6.820 -5.551 636 HB2 GLU 78 HB2 GLU 78 7.140 -5.456 -5.463 637 HB3 GLU 78 HB3 GLU 78 7.004 -6.968 -6.348 638 HG2 GLU 78 HG2 GLU 78 6.792 -5.087 -7.857 639 HG3 GLU 78 HG3 GLU 78 5.280 -5.986 -7.802 640 H LYS 79 H LYS 79 6.621 -6.833 -2.759 641 HA LYS 79 HA LYS 79 7.508 -9.517 -2.844 642 HB2 LYS 79 HB2 LYS 79 6.822 -8.099 -0.227 643 HB3 LYS 79 HB3 LYS 79 8.031 -9.344 -0.493 644 HG2 LYS 79 HG2 LYS 79 8.161 -6.434 -1.291 645 HG3 LYS 79 HG3 LYS 79 9.145 -7.265 -0.091 646 HD2 LYS 79 HD2 LYS 79 10.161 -8.608 -1.964 647 HD3 LYS 79 HD3 LYS 79 9.242 -7.623 -3.110 648 HE2 LYS 79 HE2 LYS 79 10.404 -5.603 -2.338 649 HE3 LYS 79 HE3 LYS 79 11.301 -6.555 -1.149 650 HZ1 LYS 79 HZ1 LYS 79 12.573 -6.105 -3.169 651 HZ2 LYS 79 HZ2 LYS 79 11.436 -6.946 -4.086 652 HZ3 LYS 79 HZ3 LYS 79 12.353 -7.759 -2.924 653 H LEU 80 H LEU 80 4.608 -8.033 -1.474 654 HA LEU 80 HA LEU 80 3.439 -10.488 -0.507 655 HB2 LEU 80 HB2 LEU 80 2.534 -7.611 -0.543 656 HB3 LEU 80 HB3 LEU 80 1.372 -8.882 -0.190 657 HG LEU 80 HG LEU 80 2.768 -9.629 1.733 658 HD11 LEU 80 HD11 LEU 80 4.610 -8.244 2.582 659 HD12 LEU 80 HD12 LEU 80 4.509 -7.216 1.152 660 HD13 LEU 80 HD13 LEU 80 4.982 -8.908 0.993 661 HD21 LEU 80 HD21 LEU 80 2.227 -7.759 3.238 662 HD22 LEU 80 HD22 LEU 80 0.913 -8.074 2.109 663 HD23 LEU 80 HD23 LEU 80 1.986 -6.697 1.846 664 H LEU 81 H LEU 81 3.050 -8.592 -3.486 665 HA LEU 81 HA LEU 81 0.747 -9.924 -4.487 666 HB2 LEU 81 HB2 LEU 81 3.075 -8.675 -6.002 667 HB3 LEU 81 HB3 LEU 81 1.599 -9.239 -6.769 668 HG LEU 81 HG LEU 81 1.835 -6.933 -4.795 669 HD11 LEU 81 HD11 LEU 81 1.123 -5.512 -6.667 670 HD12 LEU 81 HD12 LEU 81 1.112 -6.912 -7.741 671 HD13 LEU 81 HD13 LEU 81 2.631 -6.351 -7.036 672 HD21 LEU 81 HD21 LEU 81 -0.587 -6.550 -5.166 673 HD22 LEU 81 HD22 LEU 81 -0.275 -8.091 -4.373 674 HD23 LEU 81 HD23 LEU 81 -0.676 -8.053 -6.092 675 H LYS 82 H LYS 82 4.188 -10.655 -4.736 676 HA LYS 82 HA LYS 82 4.068 -13.125 -6.129 677 HB2 LYS 82 HB2 LYS 82 6.158 -11.901 -5.925 678 HB3 LYS 82 HB3 LYS 82 6.075 -11.932 -4.169 679 HG2 LYS 82 HG2 LYS 82 6.393 -14.425 -4.248 680 HG3 LYS 82 HG3 LYS 82 6.595 -14.309 -5.996 681 HD2 LYS 82 HD2 LYS 82 8.783 -14.432 -4.838 682 HD3 LYS 82 HD3 LYS 82 8.596 -12.905 -5.702 683 HE2 LYS 82 HE2 LYS 82 8.031 -11.772 -3.580 684 HE3 LYS 82 HE3 LYS 82 8.205 -13.300 -2.713 685 HZ1 LYS 82 HZ1 LYS 82 10.361 -11.925 -4.221 686 HZ2 LYS 82 HZ2 LYS 82 10.526 -13.350 -3.330 687 HZ3 LYS 82 HZ3 LYS 82 10.177 -11.903 -2.542 688 H LYS 83 H LYS 83 4.051 -12.328 -2.660 689 HA LYS 83 HA LYS 83 4.256 -15.000 -1.683 690 HB2 LYS 83 HB2 LYS 83 5.070 -12.977 -0.489 691 HB3 LYS 83 HB3 LYS 83 3.407 -12.460 -0.238 692 HG2 LYS 83 HG2 LYS 83 2.996 -14.466 1.146 693 HG3 LYS 83 HG3 LYS 83 4.666 -14.982 0.894 694 HD2 LYS 83 HD2 LYS 83 5.468 -12.929 2.044 695 HD3 LYS 83 HD3 LYS 83 3.793 -12.418 2.295 696 HE2 LYS 83 HE2 LYS 83 4.741 -13.439 4.328 697 HE3 LYS 83 HE3 LYS 83 3.388 -14.389 3.710 698 HZ1 LYS 83 HZ1 LYS 83 5.209 -15.803 4.368 699 HZ2 LYS 83 HZ2 LYS 83 6.267 -14.994 3.310 700 HZ3 LYS 83 HZ3 LYS 83 4.992 -15.898 2.691 701 H ALA 84 H ALA 84 1.480 -12.903 -2.314 702 HA ALA 84 HA ALA 84 -0.429 -14.244 -0.656 703 HB1 ALA 84 HB1 ALA 84 -2.112 -12.794 -1.724 704 HB2 ALA 84 HB2 ALA 84 -0.934 -12.314 -2.952 705 HB3 ALA 84 HB3 ALA 84 -0.680 -11.869 -1.265 706 H GLY 85 H GLY 85 0.214 -14.270 -4.147 707 HA2 GLY 85 HA2 GLY 85 -0.001 -16.493 -5.260 708 HA3 GLY 85 HA3 GLY 85 -1.564 -16.633 -4.472 709 H SER 86 H SER 86 0.236 -14.434 -6.657 710 HA SER 86 HA SER 86 -2.183 -13.589 -8.027 711 HB2 SER 86 HB2 SER 86 0.748 -13.084 -8.703 712 HB3 SER 86 HB3 SER 86 -0.618 -12.378 -9.569 713 HG SER 86 HG SER 86 0.532 -11.552 -7.293 714 H LEU 87 H LEU 87 -2.847 -15.824 -8.380 715 HA LEU 87 HA LEU 87 -3.519 -17.460 -9.763 716 HB2 LEU 87 HB2 LEU 87 -2.000 -15.926 -11.888 717 HB3 LEU 87 HB3 LEU 87 -3.112 -17.246 -12.216 718 HG LEU 87 HG LEU 87 -3.879 -14.584 -10.950 719 HD11 LEU 87 HD11 LEU 87 -5.033 -14.101 -13.055 720 HD12 LEU 87 HD12 LEU 87 -4.423 -15.605 -13.748 721 HD13 LEU 87 HD13 LEU 87 -3.301 -14.316 -13.307 722 HD21 LEU 87 HD21 LEU 87 -5.658 -16.910 -11.782 723 HD22 LEU 87 HD22 LEU 87 -6.220 -15.337 -11.212 724 HD23 LEU 87 HD23 LEU 87 -5.324 -16.392 -10.125 725 H VAL 88 H VAL 88 -0.372 -17.254 -8.843 726 HA VAL 88 HA VAL 88 0.669 -19.537 -10.310 727 HB VAL 88 HB VAL 88 2.760 -19.204 -8.947 728 HG11 VAL 88 HG11 VAL 88 2.518 -18.150 -11.155 729 HG12 VAL 88 HG12 VAL 88 3.460 -17.126 -10.073 730 HG13 VAL 88 HG13 VAL 88 1.775 -16.726 -10.415 731 HG21 VAL 88 HG21 VAL 88 3.034 -17.143 -7.588 732 HG22 VAL 88 HG22 VAL 88 1.794 -18.191 -6.902 733 HG23 VAL 88 HG23 VAL 88 1.325 -16.754 -7.813 734 HA PRO 89 HA PRO 89 -1.065 -22.215 -7.092 735 HB2 PRO 89 HB2 PRO 89 -0.285 -24.562 -8.638 736 HB3 PRO 89 HB3 PRO 89 -1.890 -23.843 -8.482 737 HG2 PRO 89 HG2 PRO 89 -0.442 -23.832 -10.833 738 HG3 PRO 89 HG3 PRO 89 -1.677 -22.621 -10.432 739 HD2 PRO 89 HD2 PRO 89 1.330 -22.424 -10.149 740 HD3 PRO 89 HD3 PRO 89 0.177 -21.229 -10.800 741 H ARG 90 H ARG 90 -0.388 -24.102 -5.755 742 HA ARG 90 HA ARG 90 2.325 -23.786 -4.770 743 HB2 ARG 90 HB2 ARG 90 0.466 -23.965 -3.196 744 HB3 ARG 90 HB3 ARG 90 0.002 -25.529 -3.852 745 HG2 ARG 90 HG2 ARG 90 2.048 -26.546 -2.974 746 HG3 ARG 90 HG3 ARG 90 2.616 -24.972 -2.407 747 HD2 ARG 90 HD2 ARG 90 0.104 -26.382 -1.419 748 HD3 ARG 90 HD3 ARG 90 1.656 -26.343 -0.570 749 HE ARG 90 HE ARG 90 0.974 -23.701 -1.043 750 HH11 ARG 90 HH11 ARG 90 -0.425 -26.309 0.758 751 HH12 ARG 90 HH12 ARG 90 -1.101 -25.243 1.940 752 HH21 ARG 90 HH21 ARG 90 0.139 -22.396 0.487 753 HH22 ARG 90 HH22 ARG 90 -0.784 -23.060 1.792 754 H GLY 91 H GLY 91 3.841 -24.702 -6.084 755 HA2 GLY 91 HA2 GLY 91 3.626 -27.595 -6.803 756 HA3 GLY 91 HA3 GLY 91 4.551 -26.397 -7.698 757 H SER 92 H SER 92 4.316 -27.448 -4.303 758 HA SER 92 HA SER 92 5.768 -28.079 -2.708 759 HB2 SER 92 HB2 SER 92 7.661 -28.666 -5.018 760 HB3 SER 92 HB3 SER 92 7.983 -29.113 -3.343 761 HG SER 92 HG SER 92 6.205 -30.470 -3.388 762 H TYR 93 H TYR 93 6.633 -26.702 -1.271 763 HA TYR 93 HA TYR 93 7.980 -24.267 -2.109 764 HB2 TYR 93 HB2 TYR 93 7.230 -25.327 0.649 765 HB3 TYR 93 HB3 TYR 93 8.020 -23.777 0.386 766 HD1 TYR 93 HD1 TYR 93 6.738 -22.278 -1.528 767 HD2 TYR 93 HD2 TYR 93 4.902 -25.214 0.981 768 HE1 TYR 93 HE1 TYR 93 4.566 -21.172 -1.824 769 HE2 TYR 93 HE2 TYR 93 2.736 -24.103 0.688 770 HH TYR 93 HH TYR 93 2.253 -21.560 -1.640 771 H LEU 94 H LEU 94 10.022 -24.763 -2.889 772 HA LEU 94 HA LEU 94 11.999 -25.878 -0.977 773 HB2 LEU 94 HB2 LEU 94 12.099 -25.568 -4.001 774 HB3 LEU 94 HB3 LEU 94 13.551 -25.829 -3.055 775 HG LEU 94 HG LEU 94 12.523 -28.019 -2.241 776 HD11 LEU 94 HD11 LEU 94 10.728 -29.047 -3.573 777 HD12 LEU 94 HD12 LEU 94 10.504 -27.531 -4.453 778 HD13 LEU 94 HD13 LEU 94 10.171 -27.609 -2.722 779 HD21 LEU 94 HD21 LEU 94 14.271 -27.977 -3.967 780 HD22 LEU 94 HD22 LEU 94 13.053 -27.783 -5.230 781 HD23 LEU 94 HD23 LEU 94 13.114 -29.270 -4.279 782 H GLU 95 H GLU 95 12.334 -24.033 0.332 783 HA GLU 95 HA GLU 95 13.052 -21.466 -0.782 784 HB2 GLU 95 HB2 GLU 95 13.630 -22.407 2.063 785 HB3 GLU 95 HB3 GLU 95 13.630 -20.754 1.477 786 HG2 GLU 95 HG2 GLU 95 11.634 -20.932 2.692 787 HG3 GLU 95 HG3 GLU 95 11.122 -21.081 1.010 788 H HIS 96 H HIS 96 14.775 -21.701 -2.161 789 HA HIS 96 HA HIS 96 17.224 -23.112 -1.308 790 HB2 HIS 96 HB2 HIS 96 16.103 -23.621 -3.530 791 HB3 HIS 96 HB3 HIS 96 16.505 -21.990 -4.052 792 HD1 HIS 96 HD1 HIS 96 18.881 -21.596 -4.889 793 HD2 HIS 96 HD2 HIS 96 18.381 -25.371 -3.232 794 HE1 HIS 96 HE1 HIS 96 20.969 -22.855 -5.449 795 HE2 HIS 96 HE2 HIS 96 20.714 -25.073 -4.293 796 H HIS 97 H HIS 97 16.163 -20.148 -0.734 797 HA HIS 97 HA HIS 97 18.306 -18.446 -1.673 798 HB2 HIS 97 HB2 HIS 97 17.145 -16.686 -0.289 799 HB3 HIS 97 HB3 HIS 97 16.098 -17.483 -1.456 800 HD1 HIS 97 HD1 HIS 97 16.864 -17.597 2.280 801 HD2 HIS 97 HD2 HIS 97 13.767 -18.464 -0.348 802 HE1 HIS 97 HE1 HIS 97 14.899 -18.162 3.719 803 HE2 HIS 97 HE2 HIS 97 13.000 -18.508 2.116 804 H HIS 98 H HIS 98 19.752 -20.317 -0.454 805 HA HIS 98 HA HIS 98 20.577 -19.240 2.184 806 HB2 HIS 98 HB2 HIS 98 20.741 -22.136 1.246 807 HB3 HIS 98 HB3 HIS 98 21.292 -21.527 2.808 808 HD1 HIS 98 HD1 HIS 98 19.446 -21.025 4.585 809 HD2 HIS 98 HD2 HIS 98 17.967 -22.482 0.996 810 HE1 HIS 98 HE1 HIS 98 17.066 -21.649 5.051 811 HE2 HIS 98 HE2 HIS 98 16.274 -22.723 2.922 812 H HIS 99 H HIS 99 22.700 -18.729 2.423 813 HA HIS 99 HA HIS 99 24.548 -19.020 0.136 814 HB2 HIS 99 HB2 HIS 99 24.749 -17.305 2.657 815 HB3 HIS 99 HB3 HIS 99 25.922 -17.317 1.341 816 HD1 HIS 99 HD1 HIS 99 25.483 -15.733 -0.549 817 HD2 HIS 99 HD2 HIS 99 22.124 -16.253 1.839 818 HE1 HIS 99 HE1 HIS 99 23.813 -14.062 -1.371 819 HE2 HIS 99 HE2 HIS 99 21.791 -14.389 0.089 820 H HIS 100 H HIS 100 26.371 -20.301 0.258 821 HA HIS 100 HA HIS 100 27.196 -21.484 2.833 822 HB2 HIS 100 HB2 HIS 100 25.642 -23.111 1.928 823 HB3 HIS 100 HB3 HIS 100 26.418 -23.060 0.348 824 HD1 HIS 100 HD1 HIS 100 27.865 -23.681 3.848 825 HD2 HIS 100 HD2 HIS 100 27.739 -25.417 0.073 826 HE1 HIS 100 HE1 HIS 100 29.320 -25.715 3.991 827 HE2 HIS 100 HE2 HIS 100 29.361 -26.645 1.658 828 H HIS 101 H HIS 101 29.188 -20.597 2.940 829 HA HIS 101 HA HIS 101 31.247 -21.833 1.251 830 HB2 HIS 101 HB2 HIS 101 30.936 -18.826 1.633 831 HB3 HIS 101 HB3 HIS 101 32.548 -19.508 1.448 832 HD1 HIS 101 HD1 HIS 101 29.876 -18.145 -0.515 833 HD2 HIS 101 HD2 HIS 101 32.719 -21.113 -1.073 834 HE1 HIS 101 HE1 HIS 101 30.037 -18.464 -2.992 835 HE2 HIS 101 HE2 HIS 101 31.871 -20.151 -3.303 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -8.339 -15.552 2.361 2 H2 MET 1 H2 MET 1 -9.133 -17.032 2.562 3 H3 MET 1 H3 MET 1 -7.790 -16.925 1.540 4 HA MET 1 HA MET 1 -6.358 -16.419 3.370 5 HB2 MET 1 HB2 MET 1 -8.971 -16.444 4.905 6 HB3 MET 1 HB3 MET 1 -7.476 -16.844 5.744 7 HG2 MET 1 HG2 MET 1 -6.525 -14.675 5.120 8 HG3 MET 1 HG3 MET 1 -8.004 -14.260 4.266 9 HE1 MET 1 HE1 MET 1 -8.393 -12.062 5.518 10 HE2 MET 1 HE2 MET 1 -6.855 -12.285 6.356 11 HE3 MET 1 HE3 MET 1 -8.308 -11.885 7.269 12 H GLN 2 H GLN 2 -5.360 -18.244 2.642 13 HA GLN 2 HA GLN 2 -5.940 -20.740 4.103 14 HB2 GLN 2 HB2 GLN 2 -6.909 -20.999 1.818 15 HB3 GLN 2 HB3 GLN 2 -5.346 -20.604 1.110 16 HG2 GLN 2 HG2 GLN 2 -4.392 -22.650 2.226 17 HG3 GLN 2 HG3 GLN 2 -6.021 -23.060 2.760 18 HE21 GLN 2 HE21 GLN 2 -3.899 -22.807 0.003 19 HE22 GLN 2 HE22 GLN 2 -4.879 -23.714 -1.088 20 H GLU 3 H GLU 3 -4.183 -20.803 5.394 21 HA GLU 3 HA GLU 3 -2.100 -21.116 6.172 22 HB2 GLU 3 HB2 GLU 3 -1.951 -22.829 4.385 23 HB3 GLU 3 HB3 GLU 3 -1.320 -21.623 3.268 24 HG2 GLU 3 HG2 GLU 3 0.695 -21.363 4.653 25 HG3 GLU 3 HG3 GLU 3 0.045 -22.495 5.838 26 H GLU 4 H GLU 4 -0.700 -19.658 6.969 27 HA GLU 4 HA GLU 4 0.343 -17.691 7.400 28 HB2 GLU 4 HB2 GLU 4 1.679 -18.618 5.280 29 HB3 GLU 4 HB3 GLU 4 0.935 -17.258 4.457 30 HG2 GLU 4 HG2 GLU 4 3.066 -16.487 5.108 31 HG3 GLU 4 HG3 GLU 4 1.955 -15.769 6.273 32 H ARG 5 H ARG 5 -2.395 -17.639 7.089 33 HA ARG 5 HA ARG 5 -3.350 -15.839 5.073 34 HB2 ARG 5 HB2 ARG 5 -5.579 -16.355 6.057 35 HB3 ARG 5 HB3 ARG 5 -4.653 -17.788 5.644 36 HG2 ARG 5 HG2 ARG 5 -4.080 -18.097 8.031 37 HG3 ARG 5 HG3 ARG 5 -5.000 -16.649 8.438 38 HD2 ARG 5 HD2 ARG 5 -7.061 -17.749 7.590 39 HD3 ARG 5 HD3 ARG 5 -6.119 -19.210 7.249 40 HE ARG 5 HE ARG 5 -5.900 -18.304 9.972 41 HH11 ARG 5 HH11 ARG 5 -7.786 -20.290 7.861 42 HH12 ARG 5 HH12 ARG 5 -8.475 -21.184 9.165 43 HH21 ARG 5 HH21 ARG 5 -6.796 -19.461 11.609 44 HH22 ARG 5 HH22 ARG 5 -7.907 -20.737 11.254 45 H LYS 6 H LYS 6 -3.448 -15.631 8.659 46 HA LYS 6 HA LYS 6 -4.173 -12.865 8.713 47 HB2 LYS 6 HB2 LYS 6 -3.775 -14.990 10.704 48 HB3 LYS 6 HB3 LYS 6 -3.062 -13.481 11.257 49 HG2 LYS 6 HG2 LYS 6 -5.385 -13.746 12.037 50 HG3 LYS 6 HG3 LYS 6 -5.190 -12.323 11.013 51 HD2 LYS 6 HD2 LYS 6 -6.140 -13.618 9.088 52 HD3 LYS 6 HD3 LYS 6 -6.389 -14.990 10.172 53 HE2 LYS 6 HE2 LYS 6 -7.903 -13.585 11.560 54 HE3 LYS 6 HE3 LYS 6 -7.687 -12.251 10.425 55 HZ1 LYS 6 HZ1 LYS 6 -8.917 -14.888 9.842 56 HZ2 LYS 6 HZ2 LYS 6 -8.631 -13.685 8.691 57 HZ3 LYS 6 HZ3 LYS 6 -9.716 -13.399 9.953 58 H LYS 7 H LYS 7 -1.107 -14.595 8.763 59 HA LYS 7 HA LYS 7 0.550 -12.363 9.362 60 HB2 LYS 7 HB2 LYS 7 1.083 -15.075 8.176 61 HB3 LYS 7 HB3 LYS 7 2.339 -13.850 8.064 62 HG2 LYS 7 HG2 LYS 7 2.701 -15.279 10.013 63 HG3 LYS 7 HG3 LYS 7 2.381 -13.616 10.508 64 HD2 LYS 7 HD2 LYS 7 0.015 -14.267 11.018 65 HD3 LYS 7 HD3 LYS 7 0.411 -15.933 10.594 66 HE2 LYS 7 HE2 LYS 7 0.446 -15.674 13.006 67 HE3 LYS 7 HE3 LYS 7 2.090 -15.961 12.439 68 HZ1 LYS 7 HZ1 LYS 7 2.479 -13.572 12.590 69 HZ2 LYS 7 HZ2 LYS 7 2.030 -14.231 14.081 70 HZ3 LYS 7 HZ3 LYS 7 0.910 -13.347 13.174 71 H LEU 8 H LEU 8 -0.925 -13.431 6.389 72 HA LEU 8 HA LEU 8 0.304 -11.872 4.450 73 HB2 LEU 8 HB2 LEU 8 -1.624 -13.588 4.281 74 HB3 LEU 8 HB3 LEU 8 -2.709 -12.272 4.662 75 HG LEU 8 HG LEU 8 -0.913 -12.294 2.194 76 HD11 LEU 8 HD11 LEU 8 -2.450 -14.208 2.104 77 HD12 LEU 8 HD12 LEU 8 -2.879 -12.998 0.898 78 HD13 LEU 8 HD13 LEU 8 -3.826 -13.136 2.382 79 HD21 LEU 8 HD21 LEU 8 -2.460 -10.574 1.309 80 HD22 LEU 8 HD22 LEU 8 -1.677 -10.032 2.790 81 HD23 LEU 8 HD23 LEU 8 -3.351 -10.586 2.835 82 H LEU 9 H LEU 9 -2.532 -10.865 6.493 83 HA LEU 9 HA LEU 9 -2.276 -8.089 5.732 84 HB2 LEU 9 HB2 LEU 9 -4.113 -7.654 7.378 85 HB3 LEU 9 HB3 LEU 9 -4.487 -8.816 6.130 86 HG LEU 9 HG LEU 9 -4.032 -10.647 7.914 87 HD11 LEU 9 HD11 LEU 9 -2.943 -9.315 9.640 88 HD12 LEU 9 HD12 LEU 9 -4.434 -10.013 10.264 89 HD13 LEU 9 HD13 LEU 9 -4.381 -8.305 9.813 90 HD21 LEU 9 HD21 LEU 9 -6.268 -10.126 7.050 91 HD22 LEU 9 HD22 LEU 9 -6.444 -8.834 8.240 92 HD23 LEU 9 HD23 LEU 9 -6.328 -10.515 8.768 93 H GLU 10 H GLU 10 -1.024 -10.015 8.355 94 HA GLU 10 HA GLU 10 -0.311 -7.950 10.170 95 HB2 GLU 10 HB2 GLU 10 -0.388 -10.358 10.790 96 HB3 GLU 10 HB3 GLU 10 0.988 -10.666 9.741 97 HG2 GLU 10 HG2 GLU 10 2.384 -9.190 11.186 98 HG3 GLU 10 HG3 GLU 10 1.004 -8.970 12.258 99 H LYS 11 H LYS 11 1.305 -9.297 7.328 100 HA LYS 11 HA LYS 11 3.647 -7.607 7.529 101 HB2 LYS 11 HB2 LYS 11 3.760 -9.768 6.337 102 HB3 LYS 11 HB3 LYS 11 2.545 -9.229 5.189 103 HG2 LYS 11 HG2 LYS 11 4.616 -9.093 4.048 104 HG3 LYS 11 HG3 LYS 11 4.196 -7.433 4.443 105 HD2 LYS 11 HD2 LYS 11 6.078 -9.024 6.219 106 HD3 LYS 11 HD3 LYS 11 6.667 -8.246 4.756 107 HE2 LYS 11 HE2 LYS 11 5.927 -6.054 5.623 108 HE3 LYS 11 HE3 LYS 11 5.341 -6.830 7.095 109 HZ1 LYS 11 HZ1 LYS 11 7.609 -7.532 7.572 110 HZ2 LYS 11 HZ2 LYS 11 7.514 -5.851 7.425 111 HZ3 LYS 11 HZ3 LYS 11 8.164 -6.771 6.168 112 H LEU 12 H LEU 12 0.702 -7.635 5.521 113 HA LEU 12 HA LEU 12 1.303 -5.537 3.794 114 HB2 LEU 12 HB2 LEU 12 -0.472 -7.206 3.389 115 HB3 LEU 12 HB3 LEU 12 -1.430 -6.506 4.684 116 HG LEU 12 HG LEU 12 -1.480 -4.331 3.338 117 HD11 LEU 12 HD11 LEU 12 -0.412 -6.087 1.101 118 HD12 LEU 12 HD12 LEU 12 0.437 -4.740 1.861 119 HD13 LEU 12 HD13 LEU 12 -1.024 -4.440 0.924 120 HD21 LEU 12 HD21 LEU 12 -3.279 -5.085 1.850 121 HD22 LEU 12 HD22 LEU 12 -3.414 -5.813 3.449 122 HD23 LEU 12 HD23 LEU 12 -2.791 -6.765 2.098 123 H GLU 13 H GLU 13 -0.869 -5.369 6.662 124 HA GLU 13 HA GLU 13 -1.613 -2.694 6.473 125 HB2 GLU 13 HB2 GLU 13 -1.336 -4.384 8.989 126 HB3 GLU 13 HB3 GLU 13 -2.177 -2.834 8.910 127 HG2 GLU 13 HG2 GLU 13 -3.783 -3.782 7.289 128 HG3 GLU 13 HG3 GLU 13 -2.946 -5.331 7.363 129 H LYS 14 H LYS 14 1.181 -4.093 8.179 130 HA LYS 14 HA LYS 14 2.160 -1.783 9.471 131 HB2 LYS 14 HB2 LYS 14 3.846 -4.066 8.348 132 HB3 LYS 14 HB3 LYS 14 4.296 -2.973 9.653 133 HG2 LYS 14 HG2 LYS 14 2.021 -4.965 9.762 134 HG3 LYS 14 HG3 LYS 14 3.629 -5.228 10.436 135 HD2 LYS 14 HD2 LYS 14 3.305 -3.456 12.062 136 HD3 LYS 14 HD3 LYS 14 1.778 -2.979 11.315 137 HE2 LYS 14 HE2 LYS 14 1.535 -4.363 13.419 138 HE3 LYS 14 HE3 LYS 14 0.701 -5.019 12.009 139 HZ1 LYS 14 HZ1 LYS 14 2.476 -6.594 11.696 140 HZ2 LYS 14 HZ2 LYS 14 1.904 -6.715 13.286 141 HZ3 LYS 14 HZ3 LYS 14 3.366 -5.924 12.969 142 H ILE 15 H ILE 15 2.896 -3.126 6.257 143 HA ILE 15 HA ILE 15 4.723 -1.223 5.300 144 HB ILE 15 HB ILE 15 2.633 -2.839 3.743 145 HG12 ILE 15 HG12 ILE 15 5.596 -3.431 4.268 146 HG13 ILE 15 HG13 ILE 15 4.242 -4.228 5.057 147 HG21 ILE 15 HG21 ILE 15 4.031 -2.481 1.729 148 HG22 ILE 15 HG22 ILE 15 5.102 -1.422 2.649 149 HG23 ILE 15 HG23 ILE 15 3.425 -0.952 2.367 150 HD11 ILE 15 HD11 ILE 15 3.544 -5.155 2.888 151 HD12 ILE 15 HD12 ILE 15 5.174 -5.639 3.354 152 HD13 ILE 15 HD13 ILE 15 4.946 -4.390 2.131 153 H LEU 16 H LEU 16 1.150 -1.272 5.061 154 HA LEU 16 HA LEU 16 0.773 1.153 3.673 155 HB2 LEU 16 HB2 LEU 16 -0.988 -0.563 5.412 156 HB3 LEU 16 HB3 LEU 16 -1.571 1.025 4.952 157 HG LEU 16 HG LEU 16 -1.542 0.437 2.588 158 HD11 LEU 16 HD11 LEU 16 -0.417 -2.269 3.360 159 HD12 LEU 16 HD12 LEU 16 0.446 -0.992 2.502 160 HD13 LEU 16 HD13 LEU 16 -0.936 -1.778 1.744 161 HD21 LEU 16 HD21 LEU 16 -3.278 -1.302 2.546 162 HD22 LEU 16 HD22 LEU 16 -3.551 -0.177 3.874 163 HD23 LEU 16 HD23 LEU 16 -2.869 -1.772 4.201 164 H ASP 17 H ASP 17 1.071 0.554 7.182 165 HA ASP 17 HA ASP 17 0.597 3.241 8.038 166 HB2 ASP 17 HB2 ASP 17 2.078 0.938 9.365 167 HB3 ASP 17 HB3 ASP 17 1.882 2.508 10.140 168 H GLU 18 H GLU 18 3.500 1.537 6.964 169 HA GLU 18 HA GLU 18 5.345 3.671 7.548 170 HB2 GLU 18 HB2 GLU 18 5.606 1.236 5.748 171 HB3 GLU 18 HB3 GLU 18 6.939 2.318 6.152 172 HG2 GLU 18 HG2 GLU 18 6.777 1.700 8.510 173 HG3 GLU 18 HG3 GLU 18 5.357 0.711 8.184 174 H VAL 19 H VAL 19 3.226 2.936 4.826 175 HA VAL 19 HA VAL 19 4.427 4.818 2.984 176 HB VAL 19 HB VAL 19 1.554 3.777 2.919 177 HG11 VAL 19 HG11 VAL 19 1.651 4.350 0.515 178 HG12 VAL 19 HG12 VAL 19 3.283 4.992 0.729 179 HG13 VAL 19 HG13 VAL 19 1.918 5.764 1.532 180 HG21 VAL 19 HG21 VAL 19 3.990 2.615 1.506 181 HG22 VAL 19 HG22 VAL 19 2.319 2.090 1.283 182 HG23 VAL 19 HG23 VAL 19 3.111 1.866 2.838 183 H THR 20 H THR 20 1.590 4.947 5.204 184 HA THR 20 HA THR 20 0.789 7.616 4.671 185 HB THR 20 HB THR 20 -0.421 7.558 6.854 186 HG1 THR 20 HG1 THR 20 0.874 5.041 7.224 187 HG21 THR 20 HG21 THR 20 -0.671 4.935 5.337 188 HG22 THR 20 HG22 THR 20 -1.500 6.442 4.938 189 HG23 THR 20 HG23 THR 20 -1.869 5.604 6.445 190 H ASP 21 H ASP 21 2.680 6.365 7.454 191 HA ASP 21 HA ASP 21 3.802 8.991 8.049 192 HB2 ASP 21 HB2 ASP 21 3.098 7.229 9.806 193 HB3 ASP 21 HB3 ASP 21 4.549 6.338 9.358 194 H GLY 22 H GLY 22 4.780 9.242 5.993 195 HA2 GLY 22 HA2 GLY 22 7.428 8.902 5.518 196 HA3 GLY 22 HA3 GLY 22 6.756 7.382 4.935 197 H ALA 23 H ALA 23 4.224 8.957 4.254 198 HA ALA 23 HA ALA 23 4.554 9.577 1.555 199 HB1 ALA 23 HB1 ALA 23 2.406 9.053 2.632 200 HB2 ALA 23 HB2 ALA 23 2.309 10.566 1.733 201 HB3 ALA 23 HB3 ALA 23 2.453 10.596 3.493 202 HA PRO 24 HA PRO 24 5.976 13.932 1.677 203 HB2 PRO 24 HB2 PRO 24 5.354 14.780 -0.803 204 HB3 PRO 24 HB3 PRO 24 6.548 13.494 -0.560 205 HG2 PRO 24 HG2 PRO 24 3.630 13.245 -1.303 206 HG3 PRO 24 HG3 PRO 24 5.037 12.445 -2.040 207 HD2 PRO 24 HD2 PRO 24 3.428 11.247 -0.150 208 HD3 PRO 24 HD3 PRO 24 5.142 10.831 -0.371 209 H ASP 25 H ASP 25 3.247 13.401 2.812 210 HA ASP 25 HA ASP 25 1.583 14.534 3.793 211 HB2 ASP 25 HB2 ASP 25 2.818 17.006 2.502 212 HB3 ASP 25 HB3 ASP 25 1.469 17.063 3.636 213 H GLU 26 H GLU 26 1.893 15.878 0.490 214 HA GLU 26 HA GLU 26 -0.681 16.724 0.030 215 HB2 GLU 26 HB2 GLU 26 1.157 15.547 -2.087 216 HB3 GLU 26 HB3 GLU 26 -0.122 16.723 -2.353 217 HG2 GLU 26 HG2 GLU 26 2.479 17.182 -0.856 218 HG3 GLU 26 HG3 GLU 26 2.062 17.794 -2.454 219 H ALA 27 H ALA 27 0.672 13.548 -0.889 220 HA ALA 27 HA ALA 27 -1.978 12.529 -1.653 221 HB1 ALA 27 HB1 ALA 27 -0.750 10.642 -2.603 222 HB2 ALA 27 HB2 ALA 27 0.758 11.252 -1.916 223 HB3 ALA 27 HB3 ALA 27 -0.076 12.173 -3.168 224 H ARG 28 H ARG 28 -0.454 12.728 1.288 225 HA ARG 28 HA ARG 28 -0.488 10.095 2.305 226 HB2 ARG 28 HB2 ARG 28 0.607 11.944 3.543 227 HB3 ARG 28 HB3 ARG 28 -0.964 12.678 3.857 228 HG2 ARG 28 HG2 ARG 28 -1.616 10.593 5.117 229 HG3 ARG 28 HG3 ARG 28 0.032 10.002 4.910 230 HD2 ARG 28 HD2 ARG 28 0.907 11.812 6.263 231 HD3 ARG 28 HD3 ARG 28 -0.681 12.593 6.325 232 HE ARG 28 HE ARG 28 -1.146 10.129 7.368 233 HH11 ARG 28 HH11 ARG 28 1.090 12.629 8.221 234 HH12 ARG 28 HH12 ARG 28 1.086 12.191 9.891 235 HH21 ARG 28 HH21 ARG 28 -1.140 9.609 9.485 236 HH22 ARG 28 HH22 ARG 28 -0.145 10.486 10.592 237 H GLU 29 H GLU 29 -3.037 12.577 2.223 238 HA GLU 29 HA GLU 29 -5.099 11.286 3.584 239 HB2 GLU 29 HB2 GLU 29 -6.654 12.720 2.282 240 HB3 GLU 29 HB3 GLU 29 -5.277 13.622 2.906 241 HG2 GLU 29 HG2 GLU 29 -4.227 13.664 0.719 242 HG3 GLU 29 HG3 GLU 29 -5.450 12.580 0.060 243 H ARG 30 H ARG 30 -4.102 10.880 0.199 244 HA ARG 30 HA ARG 30 -6.258 9.217 -0.671 245 HB2 ARG 30 HB2 ARG 30 -3.433 9.568 -1.772 246 HB3 ARG 30 HB3 ARG 30 -4.708 8.673 -2.599 247 HG2 ARG 30 HG2 ARG 30 -4.747 11.637 -1.938 248 HG3 ARG 30 HG3 ARG 30 -4.494 10.920 -3.535 249 HD2 ARG 30 HD2 ARG 30 -6.751 9.925 -3.442 250 HD3 ARG 30 HD3 ARG 30 -7.007 10.644 -1.850 251 HE ARG 30 HE ARG 30 -6.438 12.795 -3.397 252 HH11 ARG 30 HH11 ARG 30 -8.735 10.235 -3.791 253 HH12 ARG 30 HH12 ARG 30 -9.892 11.249 -4.573 254 HH21 ARG 30 HH21 ARG 30 -7.943 14.065 -4.425 255 HH22 ARG 30 HH22 ARG 30 -9.434 13.377 -4.948 256 H ILE 31 H ILE 31 -3.101 8.613 0.690 257 HA ILE 31 HA ILE 31 -3.028 5.800 0.348 258 HB ILE 31 HB ILE 31 -1.512 7.601 2.306 259 HG12 ILE 31 HG12 ILE 31 -0.478 6.430 -0.317 260 HG13 ILE 31 HG13 ILE 31 -1.248 8.007 -0.233 261 HG21 ILE 31 HG21 ILE 31 -0.893 4.727 1.509 262 HG22 ILE 31 HG22 ILE 31 -1.492 5.256 3.080 263 HG23 ILE 31 HG23 ILE 31 0.108 5.754 2.539 264 HD11 ILE 31 HD11 ILE 31 0.504 8.835 1.195 265 HD12 ILE 31 HD12 ILE 31 1.188 8.126 -0.269 266 HD13 ILE 31 HD13 ILE 31 1.256 7.240 1.253 267 H GLU 32 H GLU 32 -3.904 7.891 3.099 268 HA GLU 32 HA GLU 32 -4.500 5.877 5.005 269 HB2 GLU 32 HB2 GLU 32 -5.469 8.767 4.814 270 HB3 GLU 32 HB3 GLU 32 -5.679 7.737 6.230 271 HG2 GLU 32 HG2 GLU 32 -3.265 7.605 6.548 272 HG3 GLU 32 HG3 GLU 32 -2.983 8.514 5.068 273 H LYS 33 H LYS 33 -6.508 7.676 2.690 274 HA LYS 33 HA LYS 33 -9.040 6.661 3.368 275 HB2 LYS 33 HB2 LYS 33 -8.800 8.636 1.960 276 HB3 LYS 33 HB3 LYS 33 -7.965 7.708 0.721 277 HG2 LYS 33 HG2 LYS 33 -10.266 8.189 0.045 278 HG3 LYS 33 HG3 LYS 33 -10.017 6.452 0.239 279 HD2 LYS 33 HD2 LYS 33 -11.103 6.567 2.487 280 HD3 LYS 33 HD3 LYS 33 -11.387 8.294 2.242 281 HE2 LYS 33 HE2 LYS 33 -12.518 6.050 0.536 282 HE3 LYS 33 HE3 LYS 33 -13.408 6.963 1.755 283 HZ1 LYS 33 HZ1 LYS 33 -12.206 8.101 -0.712 284 HZ2 LYS 33 HZ2 LYS 33 -13.075 8.964 0.453 285 HZ3 LYS 33 HZ3 LYS 33 -13.849 7.777 -0.466 286 H LEU 34 H LEU 34 -6.819 5.591 0.747 287 HA LEU 34 HA LEU 34 -8.415 3.415 -0.112 288 HB2 LEU 34 HB2 LEU 34 -6.622 4.533 -1.469 289 HB3 LEU 34 HB3 LEU 34 -5.415 3.738 -0.472 290 HG LEU 34 HG LEU 34 -6.118 1.525 -1.302 291 HD11 LEU 34 HD11 LEU 34 -8.520 1.905 -1.604 292 HD12 LEU 34 HD12 LEU 34 -7.805 1.262 -3.077 293 HD13 LEU 34 HD13 LEU 34 -8.200 2.979 -2.971 294 HD21 LEU 34 HD21 LEU 34 -4.422 2.737 -2.608 295 HD22 LEU 34 HD22 LEU 34 -5.685 3.475 -3.594 296 HD23 LEU 34 HD23 LEU 34 -5.420 1.731 -3.655 297 H ALA 35 H ALA 35 -5.794 3.629 2.273 298 HA ALA 35 HA ALA 35 -5.467 0.910 2.918 299 HB1 ALA 35 HB1 ALA 35 -5.184 3.286 4.789 300 HB2 ALA 35 HB2 ALA 35 -3.931 2.664 3.711 301 HB3 ALA 35 HB3 ALA 35 -4.517 1.672 5.048 302 H LYS 36 H LYS 36 -7.841 3.280 4.122 303 HA LYS 36 HA LYS 36 -9.136 1.687 6.079 304 HB2 LYS 36 HB2 LYS 36 -10.138 3.984 4.367 305 HB3 LYS 36 HB3 LYS 36 -11.121 3.250 5.629 306 HG2 LYS 36 HG2 LYS 36 -9.686 4.032 7.358 307 HG3 LYS 36 HG3 LYS 36 -8.401 4.443 6.219 308 HD2 LYS 36 HD2 LYS 36 -9.631 6.449 7.085 309 HD3 LYS 36 HD3 LYS 36 -9.682 6.301 5.329 310 HE2 LYS 36 HE2 LYS 36 -11.868 6.976 6.178 311 HE3 LYS 36 HE3 LYS 36 -11.976 5.357 5.489 312 HZ1 LYS 36 HZ1 LYS 36 -11.836 4.456 7.745 313 HZ2 LYS 36 HZ2 LYS 36 -13.165 5.486 7.566 314 HZ3 LYS 36 HZ3 LYS 36 -11.782 6.024 8.374 315 H ASP 37 H ASP 37 -9.826 2.126 2.592 316 HA ASP 37 HA ASP 37 -12.031 0.345 2.407 317 HB2 ASP 37 HB2 ASP 37 -10.012 1.202 0.279 318 HB3 ASP 37 HB3 ASP 37 -11.474 0.278 -0.066 319 H VAL 38 H VAL 38 -8.523 -0.193 2.188 320 HA VAL 38 HA VAL 38 -8.544 -2.945 1.534 321 HB VAL 38 HB VAL 38 -6.465 -1.396 3.163 322 HG11 VAL 38 HG11 VAL 38 -6.228 -3.810 3.603 323 HG12 VAL 38 HG12 VAL 38 -4.872 -3.224 2.644 324 HG13 VAL 38 HG13 VAL 38 -6.167 -4.141 1.871 325 HG21 VAL 38 HG21 VAL 38 -6.448 -2.144 0.208 326 HG22 VAL 38 HG22 VAL 38 -5.165 -1.289 1.068 327 HG23 VAL 38 HG23 VAL 38 -6.741 -0.534 0.861 328 H LYS 39 H LYS 39 -8.670 -1.284 4.723 329 HA LYS 39 HA LYS 39 -8.520 -3.448 6.490 330 HB2 LYS 39 HB2 LYS 39 -10.248 -0.953 6.817 331 HB3 LYS 39 HB3 LYS 39 -9.793 -2.040 8.123 332 HG2 LYS 39 HG2 LYS 39 -7.889 -0.320 6.516 333 HG3 LYS 39 HG3 LYS 39 -8.496 0.050 8.128 334 HD2 LYS 39 HD2 LYS 39 -7.381 -2.004 8.994 335 HD3 LYS 39 HD3 LYS 39 -6.739 -2.322 7.377 336 HE2 LYS 39 HE2 LYS 39 -5.440 -0.255 7.443 337 HE3 LYS 39 HE3 LYS 39 -6.160 0.187 8.993 338 HZ1 LYS 39 HZ1 LYS 39 -5.084 -1.657 10.026 339 HZ2 LYS 39 HZ2 LYS 39 -3.916 -0.772 9.183 340 HZ3 LYS 39 HZ3 LYS 39 -4.499 -2.229 8.553 341 H ASP 40 H ASP 40 -11.379 -2.101 4.859 342 HA ASP 40 HA ASP 40 -13.394 -3.688 6.030 343 HB2 ASP 40 HB2 ASP 40 -13.672 -1.563 4.629 344 HB3 ASP 40 HB3 ASP 40 -13.409 -2.546 3.196 345 H GLU 41 H GLU 41 -11.469 -4.175 3.082 346 HA GLU 41 HA GLU 41 -12.686 -6.663 2.307 347 HB2 GLU 41 HB2 GLU 41 -10.146 -5.293 1.354 348 HB3 GLU 41 HB3 GLU 41 -10.878 -6.696 0.578 349 HG2 GLU 41 HG2 GLU 41 -12.214 -3.987 0.887 350 HG3 GLU 41 HG3 GLU 41 -11.393 -4.542 -0.564 351 H LEU 42 H LEU 42 -9.901 -5.832 4.281 352 HA LEU 42 HA LEU 42 -8.645 -8.373 4.421 353 HB2 LEU 42 HB2 LEU 42 -8.724 -6.102 6.439 354 HB3 LEU 42 HB3 LEU 42 -7.730 -7.538 6.647 355 HG LEU 42 HG LEU 42 -7.446 -5.552 4.358 356 HD11 LEU 42 HD11 LEU 42 -5.701 -5.877 6.810 357 HD12 LEU 42 HD12 LEU 42 -6.794 -4.531 6.482 358 HD13 LEU 42 HD13 LEU 42 -5.393 -4.796 5.446 359 HD21 LEU 42 HD21 LEU 42 -6.729 -7.811 3.706 360 HD22 LEU 42 HD22 LEU 42 -5.659 -7.887 5.105 361 HD23 LEU 42 HD23 LEU 42 -5.355 -6.713 3.823 362 H GLU 43 H GLU 43 -11.547 -7.129 5.958 363 HA GLU 43 HA GLU 43 -11.836 -9.139 7.957 364 HB2 GLU 43 HB2 GLU 43 -13.087 -6.992 8.027 365 HB3 GLU 43 HB3 GLU 43 -13.998 -7.469 6.598 366 HG2 GLU 43 HG2 GLU 43 -15.008 -9.346 7.849 367 HG3 GLU 43 HG3 GLU 43 -14.074 -8.913 9.279 368 H GLU 44 H GLU 44 -14.040 -8.874 5.077 369 HA GLU 44 HA GLU 44 -13.681 -11.771 4.547 370 HB2 GLU 44 HB2 GLU 44 -16.385 -10.402 4.892 371 HB3 GLU 44 HB3 GLU 44 -16.164 -12.050 4.312 372 HG2 GLU 44 HG2 GLU 44 -15.128 -12.663 6.486 373 HG3 GLU 44 HG3 GLU 44 -15.412 -11.023 7.070 374 H GLY 45 H GLY 45 -13.455 -8.805 3.146 375 HA2 GLY 45 HA2 GLY 45 -14.673 -9.416 0.546 376 HA3 GLY 45 HA3 GLY 45 -13.757 -7.981 0.978 377 H ASP 46 H ASP 46 -12.878 -8.472 -1.294 378 HA ASP 46 HA ASP 46 -10.803 -10.574 -1.311 379 HB2 ASP 46 HB2 ASP 46 -12.388 -10.167 -3.318 380 HB3 ASP 46 HB3 ASP 46 -11.451 -8.709 -3.636 381 H ALA 47 H ALA 47 -9.015 -9.952 -0.265 382 HA ALA 47 HA ALA 47 -8.278 -7.173 0.097 383 HB1 ALA 47 HB1 ALA 47 -6.913 -9.709 1.079 384 HB2 ALA 47 HB2 ALA 47 -8.136 -8.784 1.955 385 HB3 ALA 47 HB3 ALA 47 -6.564 -8.061 1.616 386 H LYS 48 H LYS 48 -7.037 -9.889 -1.871 387 HA LYS 48 HA LYS 48 -4.495 -8.704 -2.431 388 HB2 LYS 48 HB2 LYS 48 -4.779 -11.126 -2.697 389 HB3 LYS 48 HB3 LYS 48 -5.943 -10.871 -3.997 390 HG2 LYS 48 HG2 LYS 48 -4.220 -9.879 -5.413 391 HG3 LYS 48 HG3 LYS 48 -3.043 -9.955 -4.104 392 HD2 LYS 48 HD2 LYS 48 -3.108 -12.424 -4.189 393 HD3 LYS 48 HD3 LYS 48 -4.308 -12.352 -5.486 394 HE2 LYS 48 HE2 LYS 48 -2.717 -11.325 -6.993 395 HE3 LYS 48 HE3 LYS 48 -1.543 -11.106 -5.695 396 HZ1 LYS 48 HZ1 LYS 48 -2.441 -13.705 -6.808 397 HZ2 LYS 48 HZ2 LYS 48 -1.369 -13.518 -5.520 398 HZ3 LYS 48 HZ3 LYS 48 -0.938 -12.973 -7.059 399 H ASN 49 H ASN 49 -7.626 -8.602 -4.105 400 HA ASN 49 HA ASN 49 -6.905 -7.083 -6.359 401 HB2 ASN 49 HB2 ASN 49 -9.165 -8.120 -5.986 402 HB3 ASN 49 HB3 ASN 49 -9.513 -6.879 -4.784 403 HD21 ASN 49 HD21 ASN 49 -7.854 -6.419 -7.912 404 HD22 ASN 49 HD22 ASN 49 -9.069 -5.386 -8.571 405 H MET 50 H MET 50 -7.426 -6.150 -3.027 406 HA MET 50 HA MET 50 -7.281 -3.296 -3.425 407 HB2 MET 50 HB2 MET 50 -6.973 -4.943 -0.882 408 HB3 MET 50 HB3 MET 50 -7.207 -3.197 -0.958 409 HG2 MET 50 HG2 MET 50 -9.170 -5.286 -1.903 410 HG3 MET 50 HG3 MET 50 -9.283 -4.349 -0.414 411 HE1 MET 50 HE1 MET 50 -9.873 -0.733 -1.737 412 HE2 MET 50 HE2 MET 50 -8.279 -1.443 -1.455 413 HE3 MET 50 HE3 MET 50 -9.601 -1.767 -0.332 414 H ILE 51 H ILE 51 -4.932 -5.857 -2.753 415 HA ILE 51 HA ILE 51 -2.767 -4.158 -1.943 416 HB ILE 51 HB ILE 51 -2.583 -6.960 -3.148 417 HG12 ILE 51 HG12 ILE 51 -2.666 -6.165 -0.193 418 HG13 ILE 51 HG13 ILE 51 -3.996 -6.896 -1.079 419 HG21 ILE 51 HG21 ILE 51 -0.440 -5.719 -3.197 420 HG22 ILE 51 HG22 ILE 51 -0.367 -7.080 -2.088 421 HG23 ILE 51 HG23 ILE 51 -0.550 -5.440 -1.459 422 HD11 ILE 51 HD11 ILE 51 -2.660 -8.910 -1.429 423 HD12 ILE 51 HD12 ILE 51 -2.864 -8.529 0.280 424 HD13 ILE 51 HD13 ILE 51 -1.331 -8.182 -0.520 425 H GLU 52 H GLU 52 -3.540 -5.805 -5.041 426 HA GLU 52 HA GLU 52 -1.432 -4.742 -6.588 427 HB2 GLU 52 HB2 GLU 52 -2.780 -5.387 -8.590 428 HB3 GLU 52 HB3 GLU 52 -2.651 -6.684 -7.409 429 HG2 GLU 52 HG2 GLU 52 -4.890 -6.428 -6.705 430 HG3 GLU 52 HG3 GLU 52 -5.056 -4.857 -7.483 431 H LYS 53 H LYS 53 -4.716 -3.522 -5.945 432 HA LYS 53 HA LYS 53 -4.424 -1.217 -7.672 433 HB2 LYS 53 HB2 LYS 53 -6.594 -2.100 -5.759 434 HB3 LYS 53 HB3 LYS 53 -6.625 -0.479 -6.449 435 HG2 LYS 53 HG2 LYS 53 -6.667 -3.088 -8.008 436 HG3 LYS 53 HG3 LYS 53 -8.025 -1.978 -7.773 437 HD2 LYS 53 HD2 LYS 53 -6.769 -0.206 -8.996 438 HD3 LYS 53 HD3 LYS 53 -5.434 -1.330 -9.250 439 HE2 LYS 53 HE2 LYS 53 -6.993 -2.797 -10.551 440 HE3 LYS 53 HE3 LYS 53 -8.240 -1.556 -10.380 441 HZ1 LYS 53 HZ1 LYS 53 -7.128 -1.296 -12.476 442 HZ2 LYS 53 HZ2 LYS 53 -5.613 -1.260 -11.725 443 HZ3 LYS 53 HZ3 LYS 53 -6.705 0.003 -11.476 444 H PHE 54 H PHE 54 -3.833 -1.801 -4.268 445 HA PHE 54 HA PHE 54 -3.440 0.943 -3.562 446 HB2 PHE 54 HB2 PHE 54 -3.757 -0.883 -1.844 447 HB3 PHE 54 HB3 PHE 54 -2.153 -1.491 -2.244 448 HD1 PHE 54 HD2 PHE 54 -3.966 1.486 -0.897 449 HD2 PHE 54 HD1 PHE 54 -0.197 -0.502 -1.240 450 HE1 PHE 54 HE2 PHE 54 -2.964 3.123 0.633 451 HE2 PHE 54 HE1 PHE 54 0.798 1.145 0.272 452 HZ PHE 54 HZ PHE 54 -0.568 2.965 1.192 453 H ARG 55 H ARG 55 -1.349 -1.623 -4.783 454 HA ARG 55 HA ARG 55 1.102 -0.186 -4.816 455 HB2 ARG 55 HB2 ARG 55 1.006 -2.649 -4.846 456 HB3 ARG 55 HB3 ARG 55 0.166 -2.637 -6.388 457 HG2 ARG 55 HG2 ARG 55 2.553 -3.272 -6.589 458 HG3 ARG 55 HG3 ARG 55 2.155 -1.827 -7.526 459 HD2 ARG 55 HD2 ARG 55 3.076 -0.428 -5.625 460 HD3 ARG 55 HD3 ARG 55 3.586 -1.928 -4.847 461 HE ARG 55 HE ARG 55 5.387 -1.968 -6.225 462 HH11 ARG 55 HH11 ARG 55 3.010 -0.008 -7.818 463 HH12 ARG 55 HH12 ARG 55 4.105 0.448 -9.072 464 HH21 ARG 55 HH21 ARG 55 6.746 -1.315 -7.847 465 HH22 ARG 55 HH22 ARG 55 6.164 -0.253 -9.079 466 H ASP 56 H ASP 56 -1.501 -0.620 -7.162 467 HA ASP 56 HA ASP 56 -0.342 0.584 -9.445 468 HB2 ASP 56 HB2 ASP 56 -2.287 -0.853 -9.650 469 HB3 ASP 56 HB3 ASP 56 -3.237 0.177 -8.586 470 H GLU 57 H GLU 57 -2.611 1.942 -7.003 471 HA GLU 57 HA GLU 57 -2.586 4.598 -7.970 472 HB2 GLU 57 HB2 GLU 57 -4.349 3.716 -6.451 473 HB3 GLU 57 HB3 GLU 57 -3.182 3.656 -5.134 474 HG2 GLU 57 HG2 GLU 57 -2.942 6.098 -5.186 475 HG3 GLU 57 HG3 GLU 57 -4.009 6.204 -6.580 476 H MET 58 H MET 58 -0.735 3.064 -5.300 477 HA MET 58 HA MET 58 0.760 5.185 -4.403 478 HB2 MET 58 HB2 MET 58 1.214 2.229 -4.446 479 HB3 MET 58 HB3 MET 58 2.610 3.222 -4.077 480 HG2 MET 58 HG2 MET 58 0.678 4.289 -2.401 481 HG3 MET 58 HG3 MET 58 0.299 2.563 -2.401 482 HE1 MET 58 HE1 MET 58 3.838 4.140 -3.040 483 HE2 MET 58 HE2 MET 58 4.502 4.194 -1.408 484 HE3 MET 58 HE3 MET 58 3.156 5.245 -1.844 485 H GLU 59 H GLU 59 1.621 3.056 -7.152 486 HA GLU 59 HA GLU 59 4.124 4.276 -7.680 487 HB2 GLU 59 HB2 GLU 59 3.452 2.050 -8.582 488 HB3 GLU 59 HB3 GLU 59 2.317 2.841 -9.668 489 HG2 GLU 59 HG2 GLU 59 4.121 3.927 -10.875 490 HG3 GLU 59 HG3 GLU 59 5.312 3.373 -9.699 491 H GLN 60 H GLN 60 0.841 4.962 -8.831 492 HA GLN 60 HA GLN 60 1.406 6.763 -10.900 493 HB2 GLN 60 HB2 GLN 60 -0.817 5.644 -10.321 494 HB3 GLN 60 HB3 GLN 60 -1.041 6.855 -9.074 495 HG2 GLN 60 HG2 GLN 60 -0.742 7.542 -12.018 496 HG3 GLN 60 HG3 GLN 60 -2.293 7.198 -11.276 497 HE21 GLN 60 HE21 GLN 60 -3.105 8.699 -9.709 498 HE22 GLN 60 HE22 GLN 60 -2.556 10.335 -9.685 499 H MET 61 H MET 61 0.572 7.612 -7.429 500 HA MET 61 HA MET 61 1.221 10.398 -7.936 501 HB2 MET 61 HB2 MET 61 0.611 10.940 -5.690 502 HB3 MET 61 HB3 MET 61 -0.598 9.858 -6.354 503 HG2 MET 61 HG2 MET 61 1.590 8.735 -4.636 504 HG3 MET 61 HG3 MET 61 0.232 9.574 -3.894 505 HE1 MET 61 HE1 MET 61 -0.999 6.057 -3.079 506 HE2 MET 61 HE2 MET 61 -1.013 7.743 -2.566 507 HE3 MET 61 HE3 MET 61 0.523 6.893 -2.765 508 H TYR 62 H TYR 62 3.048 7.664 -6.769 509 HA TYR 62 HA TYR 62 5.240 9.075 -5.622 510 HB2 TYR 62 HB2 TYR 62 5.148 6.689 -5.252 511 HB3 TYR 62 HB3 TYR 62 5.104 6.347 -6.979 512 HD1 TYR 62 HD1 TYR 62 7.335 7.758 -4.291 513 HD2 TYR 62 HD2 TYR 62 7.158 5.950 -8.172 514 HE1 TYR 62 HE1 TYR 62 9.774 7.655 -4.369 515 HE2 TYR 62 HE2 TYR 62 9.608 5.847 -8.224 516 HH TYR 62 HH TYR 62 11.497 7.064 -7.191 517 H LYS 63 H LYS 63 4.546 8.095 -8.971 518 HA LYS 63 HA LYS 63 6.936 9.078 -10.158 519 HB2 LYS 63 HB2 LYS 63 4.184 8.701 -11.406 520 HB3 LYS 63 HB3 LYS 63 5.649 9.043 -12.320 521 HG2 LYS 63 HG2 LYS 63 5.101 6.560 -10.668 522 HG3 LYS 63 HG3 LYS 63 5.103 6.666 -12.426 523 HD2 LYS 63 HD2 LYS 63 7.532 7.208 -12.375 524 HD3 LYS 63 HD3 LYS 63 7.517 7.087 -10.614 525 HE2 LYS 63 HE2 LYS 63 6.895 4.705 -10.774 526 HE3 LYS 63 HE3 LYS 63 6.882 4.820 -12.536 527 HZ1 LYS 63 HZ1 LYS 63 9.224 5.281 -12.517 528 HZ2 LYS 63 HZ2 LYS 63 8.943 3.861 -11.640 529 HZ3 LYS 63 HZ3 LYS 63 9.262 5.313 -10.828 530 H ASP 64 H ASP 64 3.974 10.677 -9.208 531 HA ASP 64 HA ASP 64 4.493 13.220 -10.432 532 HB2 ASP 64 HB2 ASP 64 2.218 12.479 -9.744 533 HB3 ASP 64 HB3 ASP 64 2.721 12.486 -8.055 534 H ALA 65 H ALA 65 4.813 12.028 -7.064 535 HA ALA 65 HA ALA 65 6.845 14.112 -6.466 536 HB1 ALA 65 HB1 ALA 65 4.737 14.587 -5.276 537 HB2 ALA 65 HB2 ALA 65 6.017 14.154 -4.142 538 HB3 ALA 65 HB3 ALA 65 4.769 12.976 -4.555 539 HA PRO 66 HA PRO 66 8.959 9.983 -5.973 540 HB2 PRO 66 HB2 PRO 66 11.402 11.527 -6.713 541 HB3 PRO 66 HB3 PRO 66 10.722 10.076 -7.462 542 HG2 PRO 66 HG2 PRO 66 10.589 12.462 -8.706 543 HG3 PRO 66 HG3 PRO 66 9.248 11.299 -8.809 544 HD2 PRO 66 HD2 PRO 66 9.510 13.722 -7.006 545 HD3 PRO 66 HD3 PRO 66 8.132 13.221 -8.019 546 H ASN 67 H ASN 67 9.306 9.435 -3.892 547 HA ASN 67 HA ASN 67 11.205 10.992 -2.215 548 HB2 ASN 67 HB2 ASN 67 8.685 9.532 -1.293 549 HB3 ASN 67 HB3 ASN 67 9.875 10.252 -0.211 550 HD21 ASN 67 HD21 ASN 67 7.434 10.943 -2.636 551 HD22 ASN 67 HD22 ASN 67 7.215 12.598 -2.207 552 H ALA 68 H ALA 68 12.772 9.803 -1.125 553 HA ALA 68 HA ALA 68 13.562 7.324 -2.234 554 HB1 ALA 68 HB1 ALA 68 14.574 8.651 0.305 555 HB2 ALA 68 HB2 ALA 68 15.145 8.985 -1.330 556 HB3 ALA 68 HB3 ALA 68 15.406 7.394 -0.614 557 H VAL 69 H VAL 69 12.077 8.084 0.901 558 HA VAL 69 HA VAL 69 11.996 5.477 2.001 559 HB VAL 69 HB VAL 69 10.015 7.765 2.475 560 HG11 VAL 69 HG11 VAL 69 9.178 5.620 3.349 561 HG12 VAL 69 HG12 VAL 69 9.587 6.711 4.671 562 HG13 VAL 69 HG13 VAL 69 10.675 5.385 4.254 563 HG21 VAL 69 HG21 VAL 69 11.438 8.410 4.398 564 HG22 VAL 69 HG22 VAL 69 12.325 8.523 2.878 565 HG23 VAL 69 HG23 VAL 69 12.605 7.158 3.960 566 H MET 70 H MET 70 9.516 7.330 0.221 567 HA MET 70 HA MET 70 7.446 5.455 0.168 568 HB2 MET 70 HB2 MET 70 7.277 7.902 -0.354 569 HB3 MET 70 HB3 MET 70 8.074 7.614 -1.890 570 HG2 MET 70 HG2 MET 70 6.186 6.362 -2.712 571 HG3 MET 70 HG3 MET 70 5.419 6.381 -1.117 572 HE1 MET 70 HE1 MET 70 3.136 7.356 -1.927 573 HE2 MET 70 HE2 MET 70 3.702 7.269 -3.599 574 HE3 MET 70 HE3 MET 70 2.981 8.758 -2.988 575 H GLU 71 H GLU 71 10.206 5.825 -2.019 576 HA GLU 71 HA GLU 71 9.525 4.077 -4.109 577 HB2 GLU 71 HB2 GLU 71 11.442 5.685 -4.084 578 HB3 GLU 71 HB3 GLU 71 12.293 4.652 -2.951 579 HG2 GLU 71 HG2 GLU 71 11.472 3.640 -5.687 580 HG3 GLU 71 HG3 GLU 71 12.940 4.581 -5.472 581 H GLN 72 H GLN 72 11.318 3.420 -1.091 582 HA GLN 72 HA GLN 72 11.727 0.654 -1.456 583 HB2 GLN 72 HB2 GLN 72 11.573 2.270 1.116 584 HB3 GLN 72 HB3 GLN 72 12.157 0.608 1.020 585 HG2 GLN 72 HG2 GLN 72 13.975 1.365 -0.507 586 HG3 GLN 72 HG3 GLN 72 13.416 3.026 -0.316 587 HE21 GLN 72 HE21 GLN 72 14.988 0.332 1.284 588 HE22 GLN 72 HE22 GLN 72 15.619 1.247 2.606 589 H LEU 73 H LEU 73 8.970 2.429 -0.144 590 HA LEU 73 HA LEU 73 7.561 0.113 0.788 591 HB2 LEU 73 HB2 LEU 73 6.741 2.982 0.334 592 HB3 LEU 73 HB3 LEU 73 5.515 1.766 0.647 593 HG LEU 73 HG LEU 73 5.975 2.821 2.742 594 HD11 LEU 73 HD11 LEU 73 6.769 0.977 4.148 595 HD12 LEU 73 HD12 LEU 73 7.394 0.143 2.725 596 HD13 LEU 73 HD13 LEU 73 5.659 0.420 2.902 597 HD21 LEU 73 HD21 LEU 73 8.932 2.289 2.339 598 HD22 LEU 73 HD22 LEU 73 8.187 2.997 3.777 599 HD23 LEU 73 HD23 LEU 73 8.130 3.858 2.241 600 H LEU 74 H LEU 74 7.578 1.815 -2.385 601 HA LEU 74 HA LEU 74 5.433 0.515 -3.639 602 HB2 LEU 74 HB2 LEU 74 7.982 1.710 -4.659 603 HB3 LEU 74 HB3 LEU 74 7.207 0.575 -5.741 604 HG LEU 74 HG LEU 74 5.097 2.013 -5.558 605 HD11 LEU 74 HD11 LEU 74 5.335 4.337 -4.894 606 HD12 LEU 74 HD12 LEU 74 7.007 4.056 -4.399 607 HD13 LEU 74 HD13 LEU 74 5.683 3.272 -3.534 608 HD21 LEU 74 HD21 LEU 74 7.571 3.223 -6.847 609 HD22 LEU 74 HD22 LEU 74 5.899 3.636 -7.239 610 HD23 LEU 74 HD23 LEU 74 6.499 2.012 -7.558 611 H GLU 75 H GLU 75 8.815 -0.600 -3.390 612 HA GLU 75 HA GLU 75 8.355 -2.995 -4.881 613 HB2 GLU 75 HB2 GLU 75 10.675 -3.547 -4.434 614 HB3 GLU 75 HB3 GLU 75 10.527 -1.863 -4.895 615 HG2 GLU 75 HG2 GLU 75 12.023 -1.613 -3.185 616 HG3 GLU 75 HG3 GLU 75 10.538 -1.491 -2.249 617 H GLU 76 H GLU 76 8.307 -2.236 -1.425 618 HA GLU 76 HA GLU 76 8.082 -4.807 -0.321 619 HB2 GLU 76 HB2 GLU 76 7.070 -2.086 0.528 620 HB3 GLU 76 HB3 GLU 76 6.552 -3.500 1.432 621 HG2 GLU 76 HG2 GLU 76 9.437 -2.658 1.021 622 HG3 GLU 76 HG3 GLU 76 8.478 -2.359 2.471 623 H ILE 77 H ILE 77 5.428 -2.659 -1.446 624 HA ILE 77 HA ILE 77 3.281 -4.431 -0.816 625 HB ILE 77 HB ILE 77 3.260 -2.227 -2.930 626 HG12 ILE 77 HG12 ILE 77 2.428 -1.827 -0.025 627 HG13 ILE 77 HG13 ILE 77 4.088 -1.564 -0.540 628 HG21 ILE 77 HG21 ILE 77 0.972 -3.420 -1.297 629 HG22 ILE 77 HG22 ILE 77 1.263 -3.672 -3.018 630 HG23 ILE 77 HG23 ILE 77 0.825 -2.070 -2.428 631 HD11 ILE 77 HD11 ILE 77 2.811 0.494 -0.439 632 HD12 ILE 77 HD12 ILE 77 1.685 -0.130 -1.642 633 HD13 ILE 77 HD13 ILE 77 3.373 0.160 -2.076 634 H GLU 78 H GLU 78 5.162 -3.864 -3.763 635 HA GLU 78 HA GLU 78 3.649 -5.391 -5.594 636 HB2 GLU 78 HB2 GLU 78 5.406 -3.665 -6.131 637 HB3 GLU 78 HB3 GLU 78 6.640 -4.835 -5.678 638 HG2 GLU 78 HG2 GLU 78 5.968 -6.309 -7.514 639 HG3 GLU 78 HG3 GLU 78 4.632 -5.232 -7.925 640 H LYS 79 H LYS 79 6.134 -6.328 -3.266 641 HA LYS 79 HA LYS 79 6.582 -9.001 -4.047 642 HB2 LYS 79 HB2 LYS 79 6.609 -7.720 -1.290 643 HB3 LYS 79 HB3 LYS 79 7.144 -9.371 -1.598 644 HG2 LYS 79 HG2 LYS 79 8.994 -8.638 -2.919 645 HG3 LYS 79 HG3 LYS 79 8.363 -6.992 -3.015 646 HD2 LYS 79 HD2 LYS 79 8.715 -6.721 -0.569 647 HD3 LYS 79 HD3 LYS 79 9.382 -8.355 -0.493 648 HE2 LYS 79 HE2 LYS 79 11.247 -7.707 -1.913 649 HE3 LYS 79 HE3 LYS 79 10.542 -6.109 -2.172 650 HZ1 LYS 79 HZ1 LYS 79 10.879 -5.568 0.114 651 HZ2 LYS 79 HZ2 LYS 79 12.338 -6.146 -0.512 652 HZ3 LYS 79 HZ3 LYS 79 11.398 -7.140 0.477 653 H LEU 80 H LEU 80 3.963 -7.598 -2.042 654 HA LEU 80 HA LEU 80 2.774 -10.069 -1.269 655 HB2 LEU 80 HB2 LEU 80 1.710 -7.240 -1.362 656 HB3 LEU 80 HB3 LEU 80 0.651 -8.568 -0.948 657 HG LEU 80 HG LEU 80 1.393 -7.461 1.078 658 HD11 LEU 80 HD11 LEU 80 2.736 -10.170 0.852 659 HD12 LEU 80 HD12 LEU 80 1.037 -9.877 1.228 660 HD13 LEU 80 HD13 LEU 80 2.287 -9.345 2.349 661 HD21 LEU 80 HD21 LEU 80 3.479 -6.470 0.284 662 HD22 LEU 80 HD22 LEU 80 4.247 -8.059 0.249 663 HD23 LEU 80 HD23 LEU 80 3.734 -7.357 1.787 664 H LEU 81 H LEU 81 2.384 -8.111 -4.210 665 HA LEU 81 HA LEU 81 0.155 -9.436 -5.352 666 HB2 LEU 81 HB2 LEU 81 2.555 -8.062 -6.613 667 HB3 LEU 81 HB3 LEU 81 1.343 -8.836 -7.614 668 HG LEU 81 HG LEU 81 -0.387 -7.265 -6.712 669 HD11 LEU 81 HD11 LEU 81 0.265 -5.274 -5.459 670 HD12 LEU 81 HD12 LEU 81 1.925 -5.865 -5.345 671 HD13 LEU 81 HD13 LEU 81 0.620 -6.736 -4.542 672 HD21 LEU 81 HD21 LEU 81 0.357 -5.289 -7.958 673 HD22 LEU 81 HD22 LEU 81 0.776 -6.761 -8.829 674 HD23 LEU 81 HD23 LEU 81 2.024 -5.877 -7.944 675 H LYS 82 H LYS 82 3.616 -10.198 -5.468 676 HA LYS 82 HA LYS 82 3.405 -12.511 -7.159 677 HB2 LYS 82 HB2 LYS 82 5.457 -10.862 -6.548 678 HB3 LYS 82 HB3 LYS 82 5.778 -12.069 -5.321 679 HG2 LYS 82 HG2 LYS 82 5.786 -12.468 -8.334 680 HG3 LYS 82 HG3 LYS 82 7.181 -12.431 -7.267 681 HD2 LYS 82 HD2 LYS 82 7.020 -14.721 -7.456 682 HD3 LYS 82 HD3 LYS 82 5.859 -14.527 -6.147 683 HE2 LYS 82 HE2 LYS 82 4.023 -14.460 -7.879 684 HE3 LYS 82 HE3 LYS 82 5.232 -14.834 -9.109 685 HZ1 LYS 82 HZ1 LYS 82 4.473 -16.526 -6.791 686 HZ2 LYS 82 HZ2 LYS 82 5.720 -16.890 -7.869 687 HZ3 LYS 82 HZ3 LYS 82 4.124 -16.829 -8.417 688 H LYS 83 H LYS 83 4.082 -12.119 -3.682 689 HA LYS 83 HA LYS 83 4.392 -14.885 -3.080 690 HB2 LYS 83 HB2 LYS 83 4.119 -12.422 -1.309 691 HB3 LYS 83 HB3 LYS 83 4.522 -14.020 -0.690 692 HG2 LYS 83 HG2 LYS 83 6.643 -14.031 -1.820 693 HG3 LYS 83 HG3 LYS 83 6.214 -12.615 -2.784 694 HD2 LYS 83 HD2 LYS 83 7.812 -12.075 -0.942 695 HD3 LYS 83 HD3 LYS 83 6.301 -11.172 -0.820 696 HE2 LYS 83 HE2 LYS 83 7.064 -11.994 1.384 697 HE3 LYS 83 HE3 LYS 83 5.509 -12.696 0.939 698 HZ1 LYS 83 HZ1 LYS 83 6.993 -14.342 1.870 699 HZ2 LYS 83 HZ2 LYS 83 8.148 -14.028 0.677 700 HZ3 LYS 83 HZ3 LYS 83 6.660 -14.705 0.255 701 H ALA 84 H ALA 84 1.847 -12.522 -2.154 702 HA ALA 84 HA ALA 84 0.234 -14.488 -0.780 703 HB1 ALA 84 HB1 ALA 84 -0.454 -11.637 -1.579 704 HB2 ALA 84 HB2 ALA 84 0.287 -12.131 -0.056 705 HB3 ALA 84 HB3 ALA 84 -1.358 -12.643 -0.440 706 H GLY 85 H GLY 85 -1.027 -15.950 -1.815 707 HA2 GLY 85 HA2 GLY 85 -3.216 -15.729 -3.287 708 HA3 GLY 85 HA3 GLY 85 -2.015 -15.476 -4.549 709 H SER 86 H SER 86 -2.784 -17.360 -5.626 710 HA SER 86 HA SER 86 -2.500 -19.991 -4.406 711 HB2 SER 86 HB2 SER 86 -3.166 -19.184 -7.277 712 HB3 SER 86 HB3 SER 86 -3.203 -20.841 -6.657 713 HG SER 86 HG SER 86 -5.269 -19.795 -6.642 714 H LEU 87 H LEU 87 -1.061 -21.650 -5.178 715 HA LEU 87 HA LEU 87 1.628 -20.714 -5.625 716 HB2 LEU 87 HB2 LEU 87 2.366 -22.950 -5.238 717 HB3 LEU 87 HB3 LEU 87 1.094 -22.599 -4.087 718 HG LEU 87 HG LEU 87 0.632 -24.251 -6.611 719 HD11 LEU 87 HD11 LEU 87 1.227 -25.293 -3.826 720 HD12 LEU 87 HD12 LEU 87 2.292 -25.402 -5.228 721 HD13 LEU 87 HD13 LEU 87 0.759 -26.270 -5.222 722 HD21 LEU 87 HD21 LEU 87 -1.433 -23.300 -5.667 723 HD22 LEU 87 HD22 LEU 87 -1.055 -24.006 -4.095 724 HD23 LEU 87 HD23 LEU 87 -1.400 -25.053 -5.474 725 H VAL 88 H VAL 88 -0.569 -20.785 -7.894 726 HA VAL 88 HA VAL 88 0.285 -22.325 -10.040 727 HB VAL 88 HB VAL 88 -0.857 -20.640 -11.505 728 HG11 VAL 88 HG11 VAL 88 -2.174 -22.415 -10.444 729 HG12 VAL 88 HG12 VAL 88 -3.122 -20.931 -10.550 730 HG13 VAL 88 HG13 VAL 88 -2.410 -21.413 -9.008 731 HG21 VAL 88 HG21 VAL 88 -1.244 -19.043 -8.930 732 HG22 VAL 88 HG22 VAL 88 -1.983 -18.671 -10.490 733 HG23 VAL 88 HG23 VAL 88 -0.233 -18.565 -10.296 734 HA PRO 89 HA PRO 89 4.218 -20.370 -11.162 735 HB2 PRO 89 HB2 PRO 89 4.658 -21.557 -13.577 736 HB3 PRO 89 HB3 PRO 89 4.794 -22.438 -12.050 737 HG2 PRO 89 HG2 PRO 89 2.482 -22.367 -13.991 738 HG3 PRO 89 HG3 PRO 89 3.230 -23.768 -13.189 739 HD2 PRO 89 HD2 PRO 89 0.931 -22.611 -12.271 740 HD3 PRO 89 HD3 PRO 89 2.104 -23.381 -11.181 741 H ARG 90 H ARG 90 4.747 -18.461 -12.072 742 HA ARG 90 HA ARG 90 4.972 -16.684 -13.421 743 HB2 ARG 90 HB2 ARG 90 3.576 -18.364 -15.546 744 HB3 ARG 90 HB3 ARG 90 4.503 -16.897 -15.847 745 HG2 ARG 90 HG2 ARG 90 5.603 -19.526 -14.785 746 HG3 ARG 90 HG3 ARG 90 5.836 -18.875 -16.409 747 HD2 ARG 90 HD2 ARG 90 7.127 -17.001 -15.513 748 HD3 ARG 90 HD3 ARG 90 6.810 -17.533 -13.860 749 HE ARG 90 HE ARG 90 8.037 -19.682 -14.886 750 HH11 ARG 90 HH11 ARG 90 8.949 -16.348 -15.086 751 HH12 ARG 90 HH12 ARG 90 10.636 -16.697 -14.975 752 HH21 ARG 90 HH21 ARG 90 10.197 -20.089 -14.737 753 HH22 ARG 90 HH22 ARG 90 11.333 -18.790 -14.806 754 H GLY 91 H GLY 91 3.602 -15.166 -15.066 755 HA2 GLY 91 HA2 GLY 91 1.426 -14.102 -15.363 756 HA3 GLY 91 HA3 GLY 91 0.998 -14.595 -13.731 757 H SER 92 H SER 92 3.589 -12.773 -15.393 758 HA SER 92 HA SER 92 4.081 -11.003 -13.160 759 HB2 SER 92 HB2 SER 92 5.083 -10.853 -16.041 760 HB3 SER 92 HB3 SER 92 5.678 -9.868 -14.702 761 HG SER 92 HG SER 92 6.962 -11.444 -14.244 762 H TYR 93 H TYR 93 2.233 -10.820 -16.163 763 HA TYR 93 HA TYR 93 1.707 -7.963 -15.944 764 HB2 TYR 93 HB2 TYR 93 0.738 -10.071 -17.917 765 HB3 TYR 93 HB3 TYR 93 0.249 -8.378 -17.996 766 HD1 TYR 93 HD1 TYR 93 1.994 -6.596 -18.414 767 HD2 TYR 93 HD2 TYR 93 2.933 -10.751 -18.763 768 HE1 TYR 93 HE1 TYR 93 4.029 -6.033 -19.667 769 HE2 TYR 93 HE2 TYR 93 4.962 -10.185 -20.025 770 HH TYR 93 HH TYR 93 5.784 -8.242 -21.443 771 H LEU 94 H LEU 94 0.147 -7.116 -14.744 772 HA LEU 94 HA LEU 94 -1.816 -8.616 -13.326 773 HB2 LEU 94 HB2 LEU 94 -1.408 -5.624 -13.696 774 HB3 LEU 94 HB3 LEU 94 -2.735 -6.272 -12.749 775 HG LEU 94 HG LEU 94 -1.054 -7.354 -11.207 776 HD11 LEU 94 HD11 LEU 94 1.287 -6.601 -11.220 777 HD12 LEU 94 HD12 LEU 94 1.012 -5.742 -12.739 778 HD13 LEU 94 HD13 LEU 94 0.889 -7.502 -12.683 779 HD21 LEU 94 HD21 LEU 94 -0.485 -5.283 -10.013 780 HD22 LEU 94 HD22 LEU 94 -2.131 -5.217 -10.631 781 HD23 LEU 94 HD23 LEU 94 -0.846 -4.330 -11.453 782 H GLU 95 H GLU 95 -3.666 -9.403 -14.142 783 HA GLU 95 HA GLU 95 -4.931 -8.590 -16.541 784 HB2 GLU 95 HB2 GLU 95 -5.970 -10.212 -14.183 785 HB3 GLU 95 HB3 GLU 95 -6.905 -9.958 -15.651 786 HG2 GLU 95 HG2 GLU 95 -4.210 -11.350 -15.514 787 HG3 GLU 95 HG3 GLU 95 -5.773 -12.159 -15.605 788 H HIS 96 H HIS 96 -6.441 -7.078 -16.966 789 HA HIS 96 HA HIS 96 -6.766 -4.926 -15.047 790 HB2 HIS 96 HB2 HIS 96 -7.896 -5.099 -17.869 791 HB3 HIS 96 HB3 HIS 96 -7.633 -3.641 -16.916 792 HD1 HIS 96 HD1 HIS 96 -5.136 -2.843 -16.649 793 HD2 HIS 96 HD2 HIS 96 -5.654 -6.065 -19.219 794 HE1 HIS 96 HE1 HIS 96 -2.974 -3.067 -17.896 795 HE2 HIS 96 HE2 HIS 96 -3.268 -5.107 -19.336 796 H HIS 97 H HIS 97 -8.405 -7.690 -15.220 797 HA HIS 97 HA HIS 97 -10.181 -8.480 -14.112 798 HB2 HIS 97 HB2 HIS 97 -11.108 -5.625 -13.585 799 HB3 HIS 97 HB3 HIS 97 -11.657 -7.084 -12.757 800 HD1 HIS 97 HD1 HIS 97 -9.341 -4.366 -12.376 801 HD2 HIS 97 HD2 HIS 97 -9.308 -8.379 -11.317 802 HE1 HIS 97 HE1 HIS 97 -7.478 -4.607 -10.730 803 HE2 HIS 97 HE2 HIS 97 -7.340 -7.071 -10.272 804 H HIS 98 H HIS 98 -11.345 -5.584 -15.894 805 HA HIS 98 HA HIS 98 -12.540 -5.309 -17.782 806 HB2 HIS 98 HB2 HIS 98 -10.940 -7.132 -18.609 807 HB3 HIS 98 HB3 HIS 98 -12.220 -8.300 -18.308 808 HD1 HIS 98 HD1 HIS 98 -13.974 -8.562 -20.111 809 HD2 HIS 98 HD2 HIS 98 -11.543 -5.254 -20.747 810 HE1 HIS 98 HE1 HIS 98 -14.526 -7.756 -22.416 811 HE2 HIS 98 HE2 HIS 98 -12.979 -5.820 -22.817 812 H HIS 99 H HIS 99 -13.838 -6.115 -15.213 813 HA HIS 99 HA HIS 99 -16.478 -7.019 -16.191 814 HB2 HIS 99 HB2 HIS 99 -15.414 -6.560 -13.368 815 HB3 HIS 99 HB3 HIS 99 -17.100 -6.932 -13.718 816 HD1 HIS 99 HD1 HIS 99 -17.698 -9.360 -14.035 817 HD2 HIS 99 HD2 HIS 99 -13.594 -8.753 -14.010 818 HE1 HIS 99 HE1 HIS 99 -16.686 -11.647 -13.962 819 HE2 HIS 99 HE2 HIS 99 -14.222 -11.240 -14.224 820 H HIS 100 H HIS 100 -17.011 -5.220 -17.430 821 HA HIS 100 HA HIS 100 -17.960 -3.256 -17.969 822 HB2 HIS 100 HB2 HIS 100 -18.751 -3.371 -15.045 823 HB3 HIS 100 HB3 HIS 100 -19.261 -2.035 -16.072 824 HD1 HIS 100 HD1 HIS 100 -21.679 -2.462 -16.441 825 HD2 HIS 100 HD2 HIS 100 -19.420 -5.901 -16.979 826 HE1 HIS 100 HE1 HIS 100 -23.275 -4.190 -17.287 827 HE2 HIS 100 HE2 HIS 100 -21.853 -6.201 -17.765 828 H HIS 101 H HIS 101 -15.127 -3.254 -17.198 829 HA HIS 101 HA HIS 101 -14.771 -0.406 -16.423 830 HB2 HIS 101 HB2 HIS 101 -13.613 -2.205 -15.036 831 HB3 HIS 101 HB3 HIS 101 -12.621 -2.580 -16.441 832 HD1 HIS 101 HD1 HIS 101 -12.920 -0.238 -13.608 833 HD2 HIS 101 HD2 HIS 101 -10.842 -0.384 -17.201 834 HE1 HIS 101 HE1 HIS 101 -11.106 1.476 -13.407 835 HE2 HIS 101 HE2 HIS 101 -9.995 1.495 -15.658 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -8.928 -18.919 11.169 2 H2 MET 1 H2 MET 1 -9.287 -17.290 10.928 3 H3 MET 1 H3 MET 1 -7.693 -17.770 11.217 4 HA MET 1 HA MET 1 -9.325 -18.509 8.850 5 HB2 MET 1 HB2 MET 1 -7.798 -17.013 7.576 6 HB3 MET 1 HB3 MET 1 -8.726 -16.148 8.790 7 HG2 MET 1 HG2 MET 1 -6.788 -16.007 10.248 8 HG3 MET 1 HG3 MET 1 -5.842 -17.004 9.140 9 HE1 MET 1 HE1 MET 1 -7.725 -13.509 9.519 10 HE2 MET 1 HE2 MET 1 -8.429 -14.213 8.063 11 HE3 MET 1 HE3 MET 1 -7.374 -12.804 7.946 12 H GLN 2 H GLN 2 -7.299 -18.835 7.042 13 HA GLN 2 HA GLN 2 -5.545 -21.007 8.040 14 HB2 GLN 2 HB2 GLN 2 -7.737 -21.895 7.107 15 HB3 GLN 2 HB3 GLN 2 -7.350 -21.133 5.573 16 HG2 GLN 2 HG2 GLN 2 -5.269 -22.610 5.509 17 HG3 GLN 2 HG3 GLN 2 -5.956 -23.483 6.877 18 HE21 GLN 2 HE21 GLN 2 -5.357 -24.432 4.174 19 HE22 GLN 2 HE22 GLN 2 -6.841 -25.037 3.534 20 H GLU 3 H GLU 3 -3.866 -21.591 6.310 21 HA GLU 3 HA GLU 3 -2.442 -21.339 4.576 22 HB2 GLU 3 HB2 GLU 3 -4.596 -20.951 3.278 23 HB3 GLU 3 HB3 GLU 3 -4.357 -19.223 3.481 24 HG2 GLU 3 HG2 GLU 3 -2.261 -19.363 2.154 25 HG3 GLU 3 HG3 GLU 3 -2.507 -21.099 1.965 26 H GLU 4 H GLU 4 -2.298 -19.641 7.027 27 HA GLU 4 HA GLU 4 -0.961 -18.096 8.001 28 HB2 GLU 4 HB2 GLU 4 0.628 -18.280 5.408 29 HB3 GLU 4 HB3 GLU 4 1.231 -17.582 6.907 30 HG2 GLU 4 HG2 GLU 4 1.166 -19.755 8.010 31 HG3 GLU 4 HG3 GLU 4 0.377 -20.482 6.609 32 H ARG 5 H ARG 5 -3.192 -17.192 6.093 33 HA ARG 5 HA ARG 5 -2.500 -14.831 4.740 34 HB2 ARG 5 HB2 ARG 5 -5.193 -15.707 5.857 35 HB3 ARG 5 HB3 ARG 5 -4.976 -14.343 4.758 36 HG2 ARG 5 HG2 ARG 5 -4.098 -15.863 3.023 37 HG3 ARG 5 HG3 ARG 5 -4.279 -17.232 4.123 38 HD2 ARG 5 HD2 ARG 5 -6.729 -16.846 4.183 39 HD3 ARG 5 HD3 ARG 5 -6.535 -15.500 3.051 40 HE ARG 5 HE ARG 5 -5.373 -17.700 1.850 41 HH11 ARG 5 HH11 ARG 5 -8.562 -16.913 2.939 42 HH12 ARG 5 HH12 ARG 5 -9.317 -17.877 1.720 43 HH21 ARG 5 HH21 ARG 5 -6.362 -18.920 0.325 44 HH22 ARG 5 HH22 ARG 5 -8.092 -18.992 0.259 45 H LYS 6 H LYS 6 -3.365 -15.334 8.112 46 HA LYS 6 HA LYS 6 -3.827 -12.735 8.999 47 HB2 LYS 6 HB2 LYS 6 -4.157 -14.736 10.413 48 HB3 LYS 6 HB3 LYS 6 -2.428 -15.029 10.436 49 HG2 LYS 6 HG2 LYS 6 -2.840 -14.104 12.535 50 HG3 LYS 6 HG3 LYS 6 -2.239 -12.729 11.618 51 HD2 LYS 6 HD2 LYS 6 -5.207 -13.243 11.951 52 HD3 LYS 6 HD3 LYS 6 -4.282 -12.385 13.176 53 HE2 LYS 6 HE2 LYS 6 -3.634 -10.699 11.443 54 HE3 LYS 6 HE3 LYS 6 -4.685 -11.528 10.291 55 HZ1 LYS 6 HZ1 LYS 6 -5.574 -10.325 12.854 56 HZ2 LYS 6 HZ2 LYS 6 -6.570 -11.056 11.704 57 HZ3 LYS 6 HZ3 LYS 6 -5.766 -9.617 11.333 58 H LYS 7 H LYS 7 -0.733 -14.413 8.475 59 HA LYS 7 HA LYS 7 0.976 -12.311 9.395 60 HB2 LYS 7 HB2 LYS 7 1.558 -14.635 7.520 61 HB3 LYS 7 HB3 LYS 7 2.787 -13.591 8.219 62 HG2 LYS 7 HG2 LYS 7 0.910 -15.253 9.924 63 HG3 LYS 7 HG3 LYS 7 2.428 -15.883 9.299 64 HD2 LYS 7 HD2 LYS 7 2.977 -15.198 11.489 65 HD3 LYS 7 HD3 LYS 7 3.561 -13.871 10.491 66 HE2 LYS 7 HE2 LYS 7 1.584 -12.538 11.085 67 HE3 LYS 7 HE3 LYS 7 0.934 -13.887 12.019 68 HZ1 LYS 7 HZ1 LYS 7 3.469 -12.454 12.598 69 HZ2 LYS 7 HZ2 LYS 7 2.822 -13.715 13.515 70 HZ3 LYS 7 HZ3 LYS 7 2.014 -12.235 13.422 71 H LEU 8 H LEU 8 -0.400 -13.125 6.208 72 HA LEU 8 HA LEU 8 0.926 -11.123 4.702 73 HB2 LEU 8 HB2 LEU 8 -1.716 -12.551 4.304 74 HB3 LEU 8 HB3 LEU 8 -1.262 -11.238 3.237 75 HG LEU 8 HG LEU 8 -0.744 -13.352 2.167 76 HD11 LEU 8 HD11 LEU 8 0.785 -11.489 1.712 77 HD12 LEU 8 HD12 LEU 8 1.610 -13.041 1.606 78 HD13 LEU 8 HD13 LEU 8 1.842 -12.018 3.025 79 HD21 LEU 8 HD21 LEU 8 1.014 -14.038 4.545 80 HD22 LEU 8 HD22 LEU 8 0.860 -14.982 3.061 81 HD23 LEU 8 HD23 LEU 8 -0.526 -14.797 4.133 82 H LEU 9 H LEU 9 -2.132 -11.004 6.576 83 HA LEU 9 HA LEU 9 -2.881 -8.331 5.979 84 HB2 LEU 9 HB2 LEU 9 -3.460 -9.814 8.564 85 HB3 LEU 9 HB3 LEU 9 -4.348 -8.442 7.920 86 HG LEU 9 HG LEU 9 -4.319 -11.278 6.842 87 HD11 LEU 9 HD11 LEU 9 -6.541 -9.626 8.060 88 HD12 LEU 9 HD12 LEU 9 -5.707 -10.997 8.807 89 HD13 LEU 9 HD13 LEU 9 -6.716 -11.248 7.380 90 HD21 LEU 9 HD21 LEU 9 -4.348 -9.790 4.904 91 HD22 LEU 9 HD22 LEU 9 -5.677 -8.863 5.601 92 HD23 LEU 9 HD23 LEU 9 -5.931 -10.538 5.114 93 H GLU 10 H GLU 10 -0.913 -9.704 8.567 94 HA GLU 10 HA GLU 10 -0.303 -7.429 10.101 95 HB2 GLU 10 HB2 GLU 10 0.146 -9.760 10.827 96 HB3 GLU 10 HB3 GLU 10 1.338 -9.949 9.549 97 HG2 GLU 10 HG2 GLU 10 2.431 -9.647 11.705 98 HG3 GLU 10 HG3 GLU 10 2.795 -8.290 10.644 99 H LYS 11 H LYS 11 1.284 -8.846 7.275 100 HA LYS 11 HA LYS 11 3.470 -7.019 7.081 101 HB2 LYS 11 HB2 LYS 11 3.308 -9.415 6.147 102 HB3 LYS 11 HB3 LYS 11 2.327 -8.755 4.848 103 HG2 LYS 11 HG2 LYS 11 4.607 -9.051 4.093 104 HG3 LYS 11 HG3 LYS 11 4.232 -7.329 4.150 105 HD2 LYS 11 HD2 LYS 11 5.507 -7.072 6.218 106 HD3 LYS 11 HD3 LYS 11 5.751 -8.819 6.331 107 HE2 LYS 11 HE2 LYS 11 7.766 -7.621 5.489 108 HE3 LYS 11 HE3 LYS 11 7.144 -8.801 4.334 109 HZ1 LYS 11 HZ1 LYS 11 6.091 -6.995 3.128 110 HZ2 LYS 11 HZ2 LYS 11 7.754 -6.740 3.257 111 HZ3 LYS 11 HZ3 LYS 11 6.693 -5.869 4.233 112 H LEU 12 H LEU 12 0.204 -7.137 5.624 113 HA LEU 12 HA LEU 12 0.414 -4.892 3.911 114 HB2 LEU 12 HB2 LEU 12 -1.906 -6.395 5.085 115 HB3 LEU 12 HB3 LEU 12 -2.238 -4.744 4.606 116 HG LEU 12 HG LEU 12 -1.222 -5.420 2.292 117 HD11 LEU 12 HD11 LEU 12 -1.927 -8.185 3.286 118 HD12 LEU 12 HD12 LEU 12 -0.305 -7.578 2.956 119 HD13 LEU 12 HD13 LEU 12 -1.462 -7.738 1.640 120 HD21 LEU 12 HD21 LEU 12 -3.400 -6.156 1.464 121 HD22 LEU 12 HD22 LEU 12 -3.574 -4.841 2.622 122 HD23 LEU 12 HD23 LEU 12 -3.934 -6.497 3.115 123 H GLU 13 H GLU 13 -0.730 -5.135 7.305 124 HA GLU 13 HA GLU 13 -1.445 -2.430 7.633 125 HB2 GLU 13 HB2 GLU 13 -2.166 -4.264 9.159 126 HB3 GLU 13 HB3 GLU 13 -0.528 -4.376 9.795 127 HG2 GLU 13 HG2 GLU 13 -0.715 -2.029 10.631 128 HG3 GLU 13 HG3 GLU 13 -2.372 -1.966 10.026 129 H LYS 14 H LYS 14 1.656 -4.084 8.127 130 HA LYS 14 HA LYS 14 3.149 -1.923 9.176 131 HB2 LYS 14 HB2 LYS 14 3.916 -4.428 7.656 132 HB3 LYS 14 HB3 LYS 14 5.144 -3.246 8.077 133 HG2 LYS 14 HG2 LYS 14 3.375 -4.223 10.296 134 HG3 LYS 14 HG3 LYS 14 4.560 -5.351 9.648 135 HD2 LYS 14 HD2 LYS 14 5.479 -4.192 11.595 136 HD3 LYS 14 HD3 LYS 14 6.381 -3.754 10.148 137 HE2 LYS 14 HE2 LYS 14 5.114 -1.608 10.049 138 HE3 LYS 14 HE3 LYS 14 4.288 -2.049 11.546 139 HZ1 LYS 14 HZ1 LYS 14 6.191 -0.549 11.867 140 HZ2 LYS 14 HZ2 LYS 14 7.229 -1.738 11.271 141 HZ3 LYS 14 HZ3 LYS 14 6.374 -2.004 12.705 142 H ILE 15 H ILE 15 2.887 -3.045 5.757 143 HA ILE 15 HA ILE 15 4.423 -1.009 4.560 144 HB ILE 15 HB ILE 15 2.084 -2.592 3.361 145 HG12 ILE 15 HG12 ILE 15 5.100 -3.041 3.087 146 HG13 ILE 15 HG13 ILE 15 4.037 -3.969 4.138 147 HG21 ILE 15 HG21 ILE 15 2.994 -1.970 1.117 148 HG22 ILE 15 HG22 ILE 15 4.175 -0.910 1.889 149 HG23 ILE 15 HG23 ILE 15 2.453 -0.552 2.014 150 HD11 ILE 15 HD11 ILE 15 4.524 -5.181 2.120 151 HD12 ILE 15 HD12 ILE 15 3.903 -3.860 1.132 152 HD13 ILE 15 HD13 ILE 15 2.810 -4.771 2.180 153 H LEU 16 H LEU 16 0.869 -1.209 4.800 154 HA LEU 16 HA LEU 16 0.162 1.211 3.649 155 HB2 LEU 16 HB2 LEU 16 -1.212 -0.660 5.582 156 HB3 LEU 16 HB3 LEU 16 -1.983 0.863 5.186 157 HG LEU 16 HG LEU 16 -2.249 0.241 2.859 158 HD11 LEU 16 HD11 LEU 16 -0.655 -2.287 3.386 159 HD12 LEU 16 HD12 LEU 16 -0.134 -0.909 2.415 160 HD13 LEU 16 HD13 LEU 16 -1.498 -1.888 1.887 161 HD21 LEU 16 HD21 LEU 16 -3.944 -0.642 4.410 162 HD22 LEU 16 HD22 LEU 16 -3.012 -2.128 4.608 163 HD23 LEU 16 HD23 LEU 16 -3.720 -1.727 3.040 164 H ASP 17 H ASP 17 0.733 0.542 7.126 165 HA ASP 17 HA ASP 17 0.181 3.120 8.149 166 HB2 ASP 17 HB2 ASP 17 0.405 1.157 9.609 167 HB3 ASP 17 HB3 ASP 17 2.101 0.984 9.179 168 H GLU 18 H GLU 18 3.246 1.701 6.990 169 HA GLU 18 HA GLU 18 4.793 4.074 7.556 170 HB2 GLU 18 HB2 GLU 18 5.505 1.479 6.145 171 HB3 GLU 18 HB3 GLU 18 6.662 2.777 6.453 172 HG2 GLU 18 HG2 GLU 18 6.330 2.562 8.871 173 HG3 GLU 18 HG3 GLU 18 5.092 1.336 8.617 174 H VAL 19 H VAL 19 2.994 2.966 4.758 175 HA VAL 19 HA VAL 19 4.273 4.732 2.861 176 HB VAL 19 HB VAL 19 1.531 3.378 2.667 177 HG11 VAL 19 HG11 VAL 19 1.596 3.943 0.251 178 HG12 VAL 19 HG12 VAL 19 3.098 4.840 0.496 179 HG13 VAL 19 HG13 VAL 19 1.606 5.396 1.249 180 HG21 VAL 19 HG21 VAL 19 2.616 1.805 1.114 181 HG22 VAL 19 HG22 VAL 19 3.449 1.788 2.664 182 HG23 VAL 19 HG23 VAL 19 4.159 2.646 1.302 183 H THR 20 H THR 20 1.301 4.914 4.889 184 HA THR 20 HA THR 20 0.590 7.594 4.215 185 HB THR 20 HB THR 20 -0.748 7.658 6.299 186 HG1 THR 20 HG1 THR 20 0.197 5.076 6.984 187 HG21 THR 20 HG21 THR 20 -0.965 4.942 4.959 188 HG22 THR 20 HG22 THR 20 -1.752 6.425 4.420 189 HG23 THR 20 HG23 THR 20 -2.209 5.696 5.960 190 H ASP 21 H ASP 21 2.778 6.241 6.664 191 HA ASP 21 HA ASP 21 3.384 8.611 8.094 192 HB2 ASP 21 HB2 ASP 21 3.834 6.273 8.899 193 HB3 ASP 21 HB3 ASP 21 5.121 6.126 7.709 194 H GLY 22 H GLY 22 5.163 6.969 5.455 195 HA2 GLY 22 HA2 GLY 22 7.048 9.206 5.135 196 HA3 GLY 22 HA3 GLY 22 7.148 7.623 4.386 197 H ALA 23 H ALA 23 4.071 9.156 4.158 198 HA ALA 23 HA ALA 23 4.159 9.483 1.315 199 HB1 ALA 23 HB1 ALA 23 1.851 10.275 1.576 200 HB2 ALA 23 HB2 ALA 23 2.078 10.377 3.326 201 HB3 ALA 23 HB3 ALA 23 2.130 8.811 2.523 202 HA PRO 24 HA PRO 24 4.691 14.112 1.011 203 HB2 PRO 24 HB2 PRO 24 2.855 14.445 -1.096 204 HB3 PRO 24 HB3 PRO 24 4.578 14.114 -1.302 205 HG2 PRO 24 HG2 PRO 24 2.255 12.194 -1.371 206 HG3 PRO 24 HG3 PRO 24 3.693 12.265 -2.419 207 HD2 PRO 24 HD2 PRO 24 3.516 10.456 -0.436 208 HD3 PRO 24 HD3 PRO 24 5.064 11.247 -0.807 209 H ASP 25 H ASP 25 3.525 15.669 2.084 210 HA ASP 25 HA ASP 25 1.754 14.901 4.049 211 HB2 ASP 25 HB2 ASP 25 2.181 17.713 2.964 212 HB3 ASP 25 HB3 ASP 25 1.490 17.332 4.539 213 H GLU 26 H GLU 26 0.834 16.967 1.257 214 HA GLU 26 HA GLU 26 -1.970 16.934 1.934 215 HB2 GLU 26 HB2 GLU 26 -2.127 18.087 -0.459 216 HB3 GLU 26 HB3 GLU 26 -1.487 18.945 0.927 217 HG2 GLU 26 HG2 GLU 26 -0.190 19.348 -1.129 218 HG3 GLU 26 HG3 GLU 26 0.783 18.651 0.161 219 H ALA 27 H ALA 27 0.009 14.960 -0.167 220 HA ALA 27 HA ALA 27 -2.249 13.728 -1.570 221 HB1 ALA 27 HB1 ALA 27 0.707 13.041 -1.652 222 HB2 ALA 27 HB2 ALA 27 -0.127 14.125 -2.764 223 HB3 ALA 27 HB3 ALA 27 -0.535 12.408 -2.736 224 H ARG 28 H ARG 28 -0.750 13.295 1.426 225 HA ARG 28 HA ARG 28 -0.666 10.541 1.875 226 HB2 ARG 28 HB2 ARG 28 0.226 12.339 3.393 227 HB3 ARG 28 HB3 ARG 28 -1.422 12.691 3.903 228 HG2 ARG 28 HG2 ARG 28 -1.582 10.321 4.758 229 HG3 ARG 28 HG3 ARG 28 0.131 10.122 4.381 230 HD2 ARG 28 HD2 ARG 28 -0.048 10.633 6.726 231 HD3 ARG 28 HD3 ARG 28 0.613 12.065 5.927 232 HE ARG 28 HE ARG 28 -2.194 12.284 6.082 233 HH11 ARG 28 HH11 ARG 28 0.535 12.366 8.217 234 HH12 ARG 28 HH12 ARG 28 -0.271 13.385 9.354 235 HH21 ARG 28 HH21 ARG 28 -3.191 13.547 7.560 236 HH22 ARG 28 HH22 ARG 28 -2.360 14.045 8.988 237 H GLU 29 H GLU 29 -3.430 12.743 1.946 238 HA GLU 29 HA GLU 29 -5.395 11.315 3.280 239 HB2 GLU 29 HB2 GLU 29 -7.062 12.542 1.880 240 HB3 GLU 29 HB3 GLU 29 -5.807 13.598 2.519 241 HG2 GLU 29 HG2 GLU 29 -4.849 13.977 0.429 242 HG3 GLU 29 HG3 GLU 29 -5.416 12.450 -0.234 243 H ARG 30 H ARG 30 -4.397 10.965 -0.122 244 HA ARG 30 HA ARG 30 -6.325 9.210 -1.120 245 HB2 ARG 30 HB2 ARG 30 -4.693 10.299 -2.578 246 HB3 ARG 30 HB3 ARG 30 -3.358 9.493 -1.772 247 HG2 ARG 30 HG2 ARG 30 -3.701 8.450 -3.922 248 HG3 ARG 30 HG3 ARG 30 -4.168 7.304 -2.666 249 HD2 ARG 30 HD2 ARG 30 -5.769 7.260 -4.532 250 HD3 ARG 30 HD3 ARG 30 -6.547 7.843 -3.057 251 HE ARG 30 HE ARG 30 -6.310 10.123 -3.955 252 HH11 ARG 30 HH11 ARG 30 -6.126 7.545 -6.252 253 HH12 ARG 30 HH12 ARG 30 -6.620 8.561 -7.559 254 HH21 ARG 30 HH21 ARG 30 -6.905 11.381 -5.641 255 HH22 ARG 30 HH22 ARG 30 -7.063 10.699 -7.223 256 H ILE 31 H ILE 31 -3.316 8.558 0.595 257 HA ILE 31 HA ILE 31 -3.394 5.701 0.314 258 HB ILE 31 HB ILE 31 -1.714 7.290 2.310 259 HG12 ILE 31 HG12 ILE 31 -1.015 6.679 -0.600 260 HG13 ILE 31 HG13 ILE 31 -1.528 8.256 -0.017 261 HG21 ILE 31 HG21 ILE 31 -1.206 4.616 0.925 262 HG22 ILE 31 HG22 ILE 31 -1.705 4.826 2.604 263 HG23 ILE 31 HG23 ILE 31 -0.129 5.409 2.080 264 HD11 ILE 31 HD11 ILE 31 0.980 6.796 0.752 265 HD12 ILE 31 HD12 ILE 31 0.467 8.355 1.397 266 HD13 ILE 31 HD13 ILE 31 0.843 8.188 -0.318 267 H GLU 32 H GLU 32 -4.099 7.987 2.972 268 HA GLU 32 HA GLU 32 -4.548 6.125 5.040 269 HB2 GLU 32 HB2 GLU 32 -5.719 8.909 4.669 270 HB3 GLU 32 HB3 GLU 32 -5.753 8.002 6.180 271 HG2 GLU 32 HG2 GLU 32 -3.270 8.035 6.246 272 HG3 GLU 32 HG3 GLU 32 -3.257 8.961 4.747 273 H LYS 33 H LYS 33 -6.866 7.704 2.843 274 HA LYS 33 HA LYS 33 -9.218 6.475 3.884 275 HB2 LYS 33 HB2 LYS 33 -8.727 7.790 1.178 276 HB3 LYS 33 HB3 LYS 33 -10.313 7.359 1.813 277 HG2 LYS 33 HG2 LYS 33 -9.986 8.940 3.698 278 HG3 LYS 33 HG3 LYS 33 -8.410 9.384 3.046 279 HD2 LYS 33 HD2 LYS 33 -11.087 9.829 1.663 280 HD3 LYS 33 HD3 LYS 33 -10.141 11.064 2.490 281 HE2 LYS 33 HE2 LYS 33 -8.301 10.713 0.845 282 HE3 LYS 33 HE3 LYS 33 -9.316 9.553 -0.016 283 HZ1 LYS 33 HZ1 LYS 33 -10.002 12.405 0.438 284 HZ2 LYS 33 HZ2 LYS 33 -10.896 11.298 -0.473 285 HZ3 LYS 33 HZ3 LYS 33 -9.361 11.787 -0.995 286 H LEU 34 H LEU 34 -7.182 5.745 1.019 287 HA LEU 34 HA LEU 34 -8.717 3.569 0.028 288 HB2 LEU 34 HB2 LEU 34 -7.077 4.776 -1.356 289 HB3 LEU 34 HB3 LEU 34 -5.762 4.176 -0.357 290 HG LEU 34 HG LEU 34 -6.309 1.831 -1.116 291 HD11 LEU 34 HD11 LEU 34 -7.787 1.474 -3.060 292 HD12 LEU 34 HD12 LEU 34 -8.258 3.175 -3.025 293 HD13 LEU 34 HD13 LEU 34 -8.682 2.113 -1.682 294 HD21 LEU 34 HD21 LEU 34 -4.526 3.116 -2.215 295 HD22 LEU 34 HD22 LEU 34 -5.693 3.783 -3.361 296 HD23 LEU 34 HD23 LEU 34 -5.339 2.055 -3.362 297 H ALA 35 H ALA 35 -5.894 3.656 2.195 298 HA ALA 35 HA ALA 35 -5.515 0.880 2.559 299 HB1 ALA 35 HB1 ALA 35 -4.867 3.117 4.514 300 HB2 ALA 35 HB2 ALA 35 -3.813 2.538 3.222 301 HB3 ALA 35 HB3 ALA 35 -4.225 1.473 4.567 302 H LYS 36 H LYS 36 -7.585 3.231 4.238 303 HA LYS 36 HA LYS 36 -8.672 1.540 6.221 304 HB2 LYS 36 HB2 LYS 36 -8.929 4.004 6.222 305 HB3 LYS 36 HB3 LYS 36 -9.951 3.909 4.794 306 HG2 LYS 36 HG2 LYS 36 -11.673 2.708 6.066 307 HG3 LYS 36 HG3 LYS 36 -10.651 2.713 7.503 308 HD2 LYS 36 HD2 LYS 36 -11.765 5.187 6.116 309 HD3 LYS 36 HD3 LYS 36 -12.403 4.468 7.597 310 HE2 LYS 36 HE2 LYS 36 -10.260 4.930 8.739 311 HE3 LYS 36 HE3 LYS 36 -9.629 5.667 7.266 312 HZ1 LYS 36 HZ1 LYS 36 -10.427 7.322 8.820 313 HZ2 LYS 36 HZ2 LYS 36 -11.966 6.633 8.820 314 HZ3 LYS 36 HZ3 LYS 36 -11.360 7.343 7.413 315 H ASP 37 H ASP 37 -9.738 2.185 2.843 316 HA ASP 37 HA ASP 37 -11.963 0.431 2.783 317 HB2 ASP 37 HB2 ASP 37 -10.128 1.341 0.525 318 HB3 ASP 37 HB3 ASP 37 -11.607 0.418 0.263 319 H VAL 38 H VAL 38 -8.508 -0.181 2.230 320 HA VAL 38 HA VAL 38 -8.712 -2.916 1.460 321 HB VAL 38 HB VAL 38 -6.359 -1.538 2.860 322 HG11 VAL 38 HG11 VAL 38 -6.180 -3.981 3.025 323 HG12 VAL 38 HG12 VAL 38 -4.951 -3.355 1.929 324 HG13 VAL 38 HG13 VAL 38 -6.394 -4.144 1.281 325 HG21 VAL 38 HG21 VAL 38 -6.806 -1.963 -0.127 326 HG22 VAL 38 HG22 VAL 38 -5.374 -1.242 0.615 327 HG23 VAL 38 HG23 VAL 38 -6.930 -0.424 0.727 328 H LYS 39 H LYS 39 -8.527 -1.308 4.627 329 HA LYS 39 HA LYS 39 -8.136 -3.589 6.263 330 HB2 LYS 39 HB2 LYS 39 -9.304 -0.855 6.892 331 HB3 LYS 39 HB3 LYS 39 -8.989 -2.074 8.126 332 HG2 LYS 39 HG2 LYS 39 -6.613 -1.998 7.723 333 HG3 LYS 39 HG3 LYS 39 -6.830 -1.020 6.273 334 HD2 LYS 39 HD2 LYS 39 -7.687 0.850 7.710 335 HD3 LYS 39 HD3 LYS 39 -7.348 -0.134 9.138 336 HE2 LYS 39 HE2 LYS 39 -4.949 -0.160 8.571 337 HE3 LYS 39 HE3 LYS 39 -5.270 0.769 7.105 338 HZ1 LYS 39 HZ1 LYS 39 -5.793 1.719 9.864 339 HZ2 LYS 39 HZ2 LYS 39 -5.992 2.610 8.446 340 HZ3 LYS 39 HZ3 LYS 39 -4.446 2.137 8.934 341 H ASP 40 H ASP 40 -11.123 -2.181 4.934 342 HA ASP 40 HA ASP 40 -12.970 -3.839 6.339 343 HB2 ASP 40 HB2 ASP 40 -13.194 -2.640 3.542 344 HB3 ASP 40 HB3 ASP 40 -14.532 -3.363 4.436 345 H GLU 41 H GLU 41 -11.056 -4.346 3.417 346 HA GLU 41 HA GLU 41 -12.196 -6.894 2.704 347 HB2 GLU 41 HB2 GLU 41 -9.553 -5.804 1.677 348 HB3 GLU 41 HB3 GLU 41 -10.646 -6.929 0.884 349 HG2 GLU 41 HG2 GLU 41 -11.004 -3.951 1.271 350 HG3 GLU 41 HG3 GLU 41 -10.860 -4.837 -0.239 351 H LEU 42 H LEU 42 -9.448 -5.874 4.659 352 HA LEU 42 HA LEU 42 -8.169 -8.292 5.200 353 HB2 LEU 42 HB2 LEU 42 -8.585 -5.756 6.739 354 HB3 LEU 42 HB3 LEU 42 -8.149 -7.149 7.706 355 HG LEU 42 HG LEU 42 -6.049 -7.416 6.459 356 HD11 LEU 42 HD11 LEU 42 -6.849 -4.973 4.859 357 HD12 LEU 42 HD12 LEU 42 -6.697 -6.625 4.253 358 HD13 LEU 42 HD13 LEU 42 -5.269 -5.766 4.824 359 HD21 LEU 42 HD21 LEU 42 -4.868 -5.429 7.274 360 HD22 LEU 42 HD22 LEU 42 -6.052 -5.983 8.455 361 HD23 LEU 42 HD23 LEU 42 -6.403 -4.571 7.456 362 H GLU 43 H GLU 43 -11.253 -7.074 6.496 363 HA GLU 43 HA GLU 43 -11.893 -9.318 8.138 364 HB2 GLU 43 HB2 GLU 43 -13.050 -7.143 8.368 365 HB3 GLU 43 HB3 GLU 43 -13.714 -7.297 6.748 366 HG2 GLU 43 HG2 GLU 43 -15.447 -7.798 8.349 367 HG3 GLU 43 HG3 GLU 43 -15.024 -9.283 7.502 368 H GLU 44 H GLU 44 -13.218 -8.405 4.911 369 HA GLU 44 HA GLU 44 -12.677 -10.930 3.704 370 HB2 GLU 44 HB2 GLU 44 -14.668 -11.588 5.077 371 HB3 GLU 44 HB3 GLU 44 -15.626 -10.352 4.270 372 HG2 GLU 44 HG2 GLU 44 -15.366 -11.516 2.125 373 HG3 GLU 44 HG3 GLU 44 -14.328 -12.722 2.885 374 H GLY 45 H GLY 45 -12.916 -10.849 1.449 375 HA2 GLY 45 HA2 GLY 45 -14.171 -9.651 -0.430 376 HA3 GLY 45 HA3 GLY 45 -13.506 -8.187 0.276 377 H ASP 46 H ASP 46 -11.416 -10.873 0.483 378 HA ASP 46 HA ASP 46 -9.391 -11.379 -0.296 379 HB2 ASP 46 HB2 ASP 46 -10.605 -12.080 -2.327 380 HB3 ASP 46 HB3 ASP 46 -10.478 -10.453 -2.994 381 H ALA 47 H ALA 47 -7.814 -10.198 0.559 382 HA ALA 47 HA ALA 47 -7.452 -7.383 0.178 383 HB1 ALA 47 HB1 ALA 47 -5.559 -9.424 1.402 384 HB2 ALA 47 HB2 ALA 47 -6.811 -8.526 2.264 385 HB3 ALA 47 HB3 ALA 47 -5.440 -7.668 1.560 386 H LYS 48 H LYS 48 -6.317 -10.169 -1.630 387 HA LYS 48 HA LYS 48 -3.854 -9.138 -2.610 388 HB2 LYS 48 HB2 LYS 48 -4.431 -11.545 -2.636 389 HB3 LYS 48 HB3 LYS 48 -5.650 -11.253 -3.864 390 HG2 LYS 48 HG2 LYS 48 -2.786 -10.487 -4.446 391 HG3 LYS 48 HG3 LYS 48 -3.237 -12.187 -4.499 392 HD2 LYS 48 HD2 LYS 48 -4.923 -11.705 -6.230 393 HD3 LYS 48 HD3 LYS 48 -4.537 -9.984 -6.143 394 HE2 LYS 48 HE2 LYS 48 -2.252 -10.444 -6.943 395 HE3 LYS 48 HE3 LYS 48 -2.614 -12.173 -7.008 396 HZ1 LYS 48 HZ1 LYS 48 -3.955 -10.056 -8.607 397 HZ2 LYS 48 HZ2 LYS 48 -4.324 -11.704 -8.651 398 HZ3 LYS 48 HZ3 LYS 48 -2.816 -11.169 -9.179 399 H ASN 49 H ASN 49 -7.137 -9.121 -4.025 400 HA ASN 49 HA ASN 49 -6.477 -7.782 -6.433 401 HB2 ASN 49 HB2 ASN 49 -8.626 -9.073 -5.941 402 HB3 ASN 49 HB3 ASN 49 -9.182 -7.672 -5.030 403 HD21 ASN 49 HD21 ASN 49 -7.353 -7.677 -8.102 404 HD22 ASN 49 HD22 ASN 49 -8.597 -6.922 -9.028 405 H MET 50 H MET 50 -7.103 -6.639 -3.202 406 HA MET 50 HA MET 50 -7.186 -3.817 -3.805 407 HB2 MET 50 HB2 MET 50 -6.669 -5.266 -1.171 408 HB3 MET 50 HB3 MET 50 -7.017 -3.546 -1.342 409 HG2 MET 50 HG2 MET 50 -8.902 -5.758 -2.172 410 HG3 MET 50 HG3 MET 50 -8.973 -4.902 -0.634 411 HE1 MET 50 HE1 MET 50 -9.659 -2.379 -0.356 412 HE2 MET 50 HE2 MET 50 -9.974 -1.282 -1.702 413 HE3 MET 50 HE3 MET 50 -8.338 -1.877 -1.414 414 H ILE 51 H ILE 51 -4.620 -6.136 -2.991 415 HA ILE 51 HA ILE 51 -2.514 -4.346 -2.332 416 HB ILE 51 HB ILE 51 -2.441 -7.181 -3.466 417 HG12 ILE 51 HG12 ILE 51 -1.814 -6.225 -0.627 418 HG13 ILE 51 HG13 ILE 51 -3.356 -6.900 -1.133 419 HG21 ILE 51 HG21 ILE 51 -0.036 -7.317 -2.838 420 HG22 ILE 51 HG22 ILE 51 -0.054 -5.597 -2.437 421 HG23 ILE 51 HG23 ILE 51 -0.326 -6.118 -4.098 422 HD11 ILE 51 HD11 ILE 51 -2.267 -9.010 -1.669 423 HD12 ILE 51 HD12 ILE 51 -2.009 -8.541 0.010 424 HD13 ILE 51 HD13 ILE 51 -0.712 -8.338 -1.167 425 H GLU 52 H GLU 52 -3.280 -6.011 -5.418 426 HA GLU 52 HA GLU 52 -1.240 -4.894 -7.001 427 HB2 GLU 52 HB2 GLU 52 -2.591 -5.678 -8.945 428 HB3 GLU 52 HB3 GLU 52 -2.426 -6.902 -7.690 429 HG2 GLU 52 HG2 GLU 52 -4.707 -6.315 -6.866 430 HG3 GLU 52 HG3 GLU 52 -4.868 -5.179 -8.202 431 H LYS 53 H LYS 53 -4.489 -3.711 -6.294 432 HA LYS 53 HA LYS 53 -4.374 -1.481 -8.144 433 HB2 LYS 53 HB2 LYS 53 -6.318 -2.173 -5.900 434 HB3 LYS 53 HB3 LYS 53 -6.502 -0.759 -6.940 435 HG2 LYS 53 HG2 LYS 53 -6.502 -3.655 -7.861 436 HG3 LYS 53 HG3 LYS 53 -7.917 -2.605 -7.722 437 HD2 LYS 53 HD2 LYS 53 -7.015 -1.115 -9.463 438 HD3 LYS 53 HD3 LYS 53 -5.549 -2.090 -9.573 439 HE2 LYS 53 HE2 LYS 53 -6.890 -4.008 -10.380 440 HE3 LYS 53 HE3 LYS 53 -8.353 -3.022 -10.275 441 HZ1 LYS 53 HZ1 LYS 53 -6.011 -2.462 -12.016 442 HZ2 LYS 53 HZ2 LYS 53 -7.412 -1.521 -11.920 443 HZ3 LYS 53 HZ3 LYS 53 -7.494 -3.095 -12.531 444 H PHE 54 H PHE 54 -3.775 -1.924 -4.695 445 HA PHE 54 HA PHE 54 -3.405 0.802 -3.985 446 HB2 PHE 54 HB2 PHE 54 -3.816 -1.002 -2.308 447 HB3 PHE 54 HB3 PHE 54 -2.245 -1.701 -2.674 448 HD1 PHE 54 HD2 PHE 54 -3.951 1.228 -1.132 449 HD2 PHE 54 HD1 PHE 54 -0.219 -0.784 -1.690 450 HE1 PHE 54 HE2 PHE 54 -2.905 2.698 0.530 451 HE2 PHE 54 HE1 PHE 54 0.822 0.695 -0.041 452 HZ PHE 54 HZ PHE 54 -0.502 2.448 1.058 453 H ARG 55 H ARG 55 -1.240 -1.682 -5.261 454 HA ARG 55 HA ARG 55 1.232 -0.339 -5.159 455 HB2 ARG 55 HB2 ARG 55 1.165 -2.703 -5.667 456 HB3 ARG 55 HB3 ARG 55 0.100 -2.469 -7.034 457 HG2 ARG 55 HG2 ARG 55 2.843 -1.238 -7.189 458 HG3 ARG 55 HG3 ARG 55 2.722 -2.990 -7.332 459 HD2 ARG 55 HD2 ARG 55 1.346 -2.831 -9.291 460 HD3 ARG 55 HD3 ARG 55 1.074 -1.104 -9.043 461 HE ARG 55 HE ARG 55 3.799 -2.058 -9.576 462 HH11 ARG 55 HH11 ARG 55 1.046 -0.265 -10.693 463 HH12 ARG 55 HH12 ARG 55 1.928 0.477 -11.977 464 HH21 ARG 55 HH21 ARG 55 4.882 -1.098 -11.248 465 HH22 ARG 55 HH22 ARG 55 4.056 0.016 -12.286 466 H ASP 56 H ASP 56 -1.349 -0.309 -7.623 467 HA ASP 56 HA ASP 56 0.012 1.278 -9.553 468 HB2 ASP 56 HB2 ASP 56 -1.918 -0.254 -10.033 469 HB3 ASP 56 HB3 ASP 56 -2.991 0.876 -9.215 470 H GLU 57 H GLU 57 -2.483 2.069 -7.134 471 HA GLU 57 HA GLU 57 -2.698 4.834 -7.528 472 HB2 GLU 57 HB2 GLU 57 -3.095 3.198 -4.989 473 HB3 GLU 57 HB3 GLU 57 -3.588 4.877 -5.168 474 HG2 GLU 57 HG2 GLU 57 -4.649 2.587 -6.853 475 HG3 GLU 57 HG3 GLU 57 -5.456 3.249 -5.437 476 H MET 58 H MET 58 -0.525 3.016 -5.304 477 HA MET 58 HA MET 58 0.907 5.182 -4.265 478 HB2 MET 58 HB2 MET 58 1.498 2.260 -4.550 479 HB3 MET 58 HB3 MET 58 2.883 3.306 -4.281 480 HG2 MET 58 HG2 MET 58 1.246 4.213 -2.318 481 HG3 MET 58 HG3 MET 58 0.716 2.532 -2.422 482 HE1 MET 58 HE1 MET 58 4.242 4.142 -3.138 483 HE2 MET 58 HE2 MET 58 5.097 3.803 -1.633 484 HE3 MET 58 HE3 MET 58 3.770 4.964 -1.644 485 H GLU 59 H GLU 59 1.478 3.367 -7.282 486 HA GLU 59 HA GLU 59 3.886 4.589 -8.042 487 HB2 GLU 59 HB2 GLU 59 3.098 2.555 -9.141 488 HB3 GLU 59 HB3 GLU 59 1.699 3.404 -9.790 489 HG2 GLU 59 HG2 GLU 59 3.163 4.782 -11.204 490 HG3 GLU 59 HG3 GLU 59 4.587 4.006 -10.517 491 H GLN 60 H GLN 60 0.532 5.590 -8.678 492 HA GLN 60 HA GLN 60 0.930 7.726 -10.438 493 HB2 GLN 60 HB2 GLN 60 -1.149 7.543 -8.216 494 HB3 GLN 60 HB3 GLN 60 -1.258 8.570 -9.646 495 HG2 GLN 60 HG2 GLN 60 -1.454 6.630 -11.089 496 HG3 GLN 60 HG3 GLN 60 -1.162 5.545 -9.731 497 HE21 GLN 60 HE21 GLN 60 -3.419 5.447 -11.440 498 HE22 GLN 60 HE22 GLN 60 -4.813 5.747 -10.468 499 H MET 61 H MET 61 0.849 7.809 -6.850 500 HA MET 61 HA MET 61 1.457 10.623 -6.611 501 HB2 MET 61 HB2 MET 61 1.581 8.382 -4.559 502 HB3 MET 61 HB3 MET 61 1.714 10.094 -4.174 503 HG2 MET 61 HG2 MET 61 -0.567 10.493 -4.838 504 HG3 MET 61 HG3 MET 61 -0.718 8.863 -5.498 505 HE1 MET 61 HE1 MET 61 0.741 7.086 -3.259 506 HE2 MET 61 HE2 MET 61 -0.792 6.659 -4.023 507 HE3 MET 61 HE3 MET 61 -0.648 6.653 -2.266 508 H TYR 62 H TYR 62 3.352 7.667 -6.582 509 HA TYR 62 HA TYR 62 5.831 8.633 -5.611 510 HB2 TYR 62 HB2 TYR 62 5.525 6.285 -5.521 511 HB3 TYR 62 HB3 TYR 62 4.952 6.195 -7.178 512 HD1 TYR 62 HD1 TYR 62 8.059 6.791 -5.146 513 HD2 TYR 62 HD2 TYR 62 6.454 5.600 -8.932 514 HE1 TYR 62 HE1 TYR 62 10.298 6.161 -5.914 515 HE2 TYR 62 HE2 TYR 62 8.698 4.972 -9.681 516 HH TYR 62 HH TYR 62 11.366 4.744 -7.557 517 H LYS 63 H LYS 63 4.494 8.414 -8.866 518 HA LYS 63 HA LYS 63 6.752 9.080 -10.406 519 HB2 LYS 63 HB2 LYS 63 3.784 9.529 -10.909 520 HB3 LYS 63 HB3 LYS 63 5.012 9.908 -12.113 521 HG2 LYS 63 HG2 LYS 63 5.664 7.594 -12.298 522 HG3 LYS 63 HG3 LYS 63 4.666 7.147 -10.915 523 HD2 LYS 63 HD2 LYS 63 3.535 6.434 -12.935 524 HD3 LYS 63 HD3 LYS 63 2.620 7.761 -12.230 525 HE2 LYS 63 HE2 LYS 63 4.599 8.165 -14.494 526 HE3 LYS 63 HE3 LYS 63 2.904 7.779 -14.774 527 HZ1 LYS 63 HZ1 LYS 63 3.184 10.118 -14.929 528 HZ2 LYS 63 HZ2 LYS 63 3.985 10.206 -13.445 529 HZ3 LYS 63 HZ3 LYS 63 2.342 9.814 -13.494 530 H ASP 64 H ASP 64 4.580 11.150 -8.583 531 HA ASP 64 HA ASP 64 5.765 13.629 -9.613 532 HB2 ASP 64 HB2 ASP 64 3.614 13.271 -7.483 533 HB3 ASP 64 HB3 ASP 64 4.049 14.777 -8.294 534 H ALA 65 H ALA 65 5.654 11.727 -6.618 535 HA ALA 65 HA ALA 65 7.886 13.310 -5.481 536 HB1 ALA 65 HB1 ALA 65 5.803 13.938 -4.306 537 HB2 ALA 65 HB2 ALA 65 6.903 13.079 -3.228 538 HB3 ALA 65 HB3 ALA 65 5.503 12.246 -3.909 539 HA PRO 66 HA PRO 66 9.227 8.859 -5.267 540 HB2 PRO 66 HB2 PRO 66 11.727 9.533 -6.555 541 HB3 PRO 66 HB3 PRO 66 10.381 8.626 -7.244 542 HG2 PRO 66 HG2 PRO 66 11.200 11.158 -8.098 543 HG3 PRO 66 HG3 PRO 66 9.601 10.451 -8.406 544 HD2 PRO 66 HD2 PRO 66 10.432 12.420 -6.282 545 HD3 PRO 66 HD3 PRO 66 8.946 12.373 -7.261 546 H ASN 67 H ASN 67 9.156 10.020 -3.010 547 HA ASN 67 HA ASN 67 11.664 11.077 -1.995 548 HB2 ASN 67 HB2 ASN 67 10.305 11.361 0.152 549 HB3 ASN 67 HB3 ASN 67 9.731 12.236 -1.261 550 HD21 ASN 67 HD21 ASN 67 9.109 9.517 0.849 551 HD22 ASN 67 HD22 ASN 67 7.453 9.314 0.404 552 H ALA 68 H ALA 68 12.440 8.684 -2.674 553 HA ALA 68 HA ALA 68 13.640 6.881 -2.072 554 HB1 ALA 68 HB1 ALA 68 14.807 6.939 0.091 555 HB2 ALA 68 HB2 ALA 68 13.681 8.164 0.682 556 HB3 ALA 68 HB3 ALA 68 14.775 8.542 -0.648 557 H VAL 69 H VAL 69 11.931 7.182 1.037 558 HA VAL 69 HA VAL 69 11.333 4.516 1.524 559 HB VAL 69 HB VAL 69 9.698 6.957 2.391 560 HG11 VAL 69 HG11 VAL 69 8.497 4.871 2.864 561 HG12 VAL 69 HG12 VAL 69 9.050 5.611 4.364 562 HG13 VAL 69 HG13 VAL 69 9.907 4.217 3.701 563 HG21 VAL 69 HG21 VAL 69 11.135 7.014 4.409 564 HG22 VAL 69 HG22 VAL 69 12.083 7.249 2.940 565 HG23 VAL 69 HG23 VAL 69 12.106 5.688 3.762 566 H MET 70 H MET 70 9.493 6.908 -0.321 567 HA MET 70 HA MET 70 7.049 5.593 -0.733 568 HB2 MET 70 HB2 MET 70 7.790 8.034 -1.300 569 HB3 MET 70 HB3 MET 70 8.364 7.378 -2.823 570 HG2 MET 70 HG2 MET 70 6.178 8.327 -3.163 571 HG3 MET 70 HG3 MET 70 6.031 6.568 -3.275 572 HE1 MET 70 HE1 MET 70 3.580 8.702 -2.762 573 HE2 MET 70 HE2 MET 70 2.634 7.804 -1.573 574 HE3 MET 70 HE3 MET 70 3.318 6.970 -2.970 575 H GLU 71 H GLU 71 10.127 5.279 -2.429 576 HA GLU 71 HA GLU 71 9.220 3.552 -4.560 577 HB2 GLU 71 HB2 GLU 71 11.203 5.086 -4.700 578 HB3 GLU 71 HB3 GLU 71 12.051 4.104 -3.524 579 HG2 GLU 71 HG2 GLU 71 11.144 3.011 -6.209 580 HG3 GLU 71 HG3 GLU 71 12.686 3.827 -5.997 581 H GLN 72 H GLN 72 11.054 3.063 -1.554 582 HA GLN 72 HA GLN 72 11.669 0.348 -1.802 583 HB2 GLN 72 HB2 GLN 72 11.283 1.982 0.730 584 HB3 GLN 72 HB3 GLN 72 12.144 0.447 0.639 585 HG2 GLN 72 HG2 GLN 72 13.888 1.426 -0.728 586 HG3 GLN 72 HG3 GLN 72 12.978 2.924 -0.909 587 HE21 GLN 72 HE21 GLN 72 14.628 4.186 -0.049 588 HE22 GLN 72 HE22 GLN 72 15.067 4.146 1.620 589 H LEU 73 H LEU 73 8.915 1.883 -0.210 590 HA LEU 73 HA LEU 73 7.697 -0.553 0.691 591 HB2 LEU 73 HB2 LEU 73 6.647 2.282 0.504 592 HB3 LEU 73 HB3 LEU 73 5.750 0.952 1.228 593 HG LEU 73 HG LEU 73 8.454 1.941 2.223 594 HD11 LEU 73 HD11 LEU 73 7.258 2.903 4.118 595 HD12 LEU 73 HD12 LEU 73 5.714 2.418 3.416 596 HD13 LEU 73 HD13 LEU 73 6.715 3.624 2.604 597 HD21 LEU 73 HD21 LEU 73 8.037 0.512 4.190 598 HD22 LEU 73 HD22 LEU 73 8.101 -0.447 2.715 599 HD23 LEU 73 HD23 LEU 73 6.543 -0.081 3.457 600 H LEU 74 H LEU 74 7.336 1.445 -2.214 601 HA LEU 74 HA LEU 74 5.014 0.239 -3.285 602 HB2 LEU 74 HB2 LEU 74 6.373 2.338 -4.068 603 HB3 LEU 74 HB3 LEU 74 7.320 1.210 -5.010 604 HG LEU 74 HG LEU 74 4.304 1.545 -5.335 605 HD11 LEU 74 HD11 LEU 74 4.802 2.913 -7.335 606 HD12 LEU 74 HD12 LEU 74 6.518 2.884 -6.921 607 HD13 LEU 74 HD13 LEU 74 5.358 3.671 -5.846 608 HD21 LEU 74 HD21 LEU 74 5.125 -0.599 -6.216 609 HD22 LEU 74 HD22 LEU 74 6.328 0.242 -7.196 610 HD23 LEU 74 HD23 LEU 74 4.606 0.459 -7.525 611 H GLU 75 H GLU 75 8.449 -0.674 -3.467 612 HA GLU 75 HA GLU 75 8.177 -3.006 -5.066 613 HB2 GLU 75 HB2 GLU 75 10.343 -1.869 -4.689 614 HB3 GLU 75 HB3 GLU 75 10.305 -2.331 -2.990 615 HG2 GLU 75 HG2 GLU 75 10.368 -4.728 -3.663 616 HG3 GLU 75 HG3 GLU 75 10.471 -4.238 -5.352 617 H GLU 76 H GLU 76 8.101 -2.514 -1.523 618 HA GLU 76 HA GLU 76 7.816 -5.118 -0.582 619 HB2 GLU 76 HB2 GLU 76 6.751 -2.460 0.410 620 HB3 GLU 76 HB3 GLU 76 6.356 -3.932 1.276 621 HG2 GLU 76 HG2 GLU 76 9.245 -3.283 0.707 622 HG3 GLU 76 HG3 GLU 76 8.404 -2.468 2.022 623 H ILE 77 H ILE 77 5.292 -2.957 -1.870 624 HA ILE 77 HA ILE 77 3.032 -4.591 -1.380 625 HB ILE 77 HB ILE 77 3.357 -2.684 -3.744 626 HG12 ILE 77 HG12 ILE 77 2.279 -1.947 -0.981 627 HG13 ILE 77 HG13 ILE 77 3.925 -1.618 -1.501 628 HG21 ILE 77 HG21 ILE 77 0.858 -3.621 -2.267 629 HG22 ILE 77 HG22 ILE 77 1.349 -4.096 -3.894 630 HG23 ILE 77 HG23 ILE 77 0.888 -2.427 -3.570 631 HD11 ILE 77 HD11 ILE 77 1.442 -0.530 -2.805 632 HD12 ILE 77 HD12 ILE 77 3.109 -0.175 -3.273 633 HD13 ILE 77 HD13 ILE 77 2.506 0.331 -1.696 634 H GLU 78 H GLU 78 5.302 -4.461 -4.144 635 HA GLU 78 HA GLU 78 3.960 -6.258 -5.878 636 HB2 GLU 78 HB2 GLU 78 5.836 -4.640 -6.483 637 HB3 GLU 78 HB3 GLU 78 6.973 -5.770 -5.772 638 HG2 GLU 78 HG2 GLU 78 5.165 -6.436 -8.125 639 HG3 GLU 78 HG3 GLU 78 6.801 -5.820 -8.293 640 H LYS 79 H LYS 79 6.374 -6.818 -3.315 641 HA LYS 79 HA LYS 79 6.915 -9.550 -3.736 642 HB2 LYS 79 HB2 LYS 79 6.835 -8.098 -1.056 643 HB3 LYS 79 HB3 LYS 79 7.727 -9.575 -1.412 644 HG2 LYS 79 HG2 LYS 79 9.207 -8.332 -2.950 645 HG3 LYS 79 HG3 LYS 79 8.279 -6.859 -2.659 646 HD2 LYS 79 HD2 LYS 79 8.893 -7.084 -0.194 647 HD3 LYS 79 HD3 LYS 79 10.007 -8.368 -0.665 648 HE2 LYS 79 HE2 LYS 79 10.125 -5.479 -1.599 649 HE3 LYS 79 HE3 LYS 79 11.169 -6.215 -0.385 650 HZ1 LYS 79 HZ1 LYS 79 11.038 -6.943 -3.254 651 HZ2 LYS 79 HZ2 LYS 79 12.000 -7.717 -2.103 652 HZ3 LYS 79 HZ3 LYS 79 12.283 -6.094 -2.484 653 H LEU 80 H LEU 80 4.365 -7.964 -1.858 654 HA LEU 80 HA LEU 80 3.082 -10.392 -0.948 655 HB2 LEU 80 HB2 LEU 80 2.387 -7.453 -0.790 656 HB3 LEU 80 HB3 LEU 80 1.212 -8.675 -0.323 657 HG LEU 80 HG LEU 80 2.748 -9.506 1.441 658 HD11 LEU 80 HD11 LEU 80 4.601 -7.217 0.709 659 HD12 LEU 80 HD12 LEU 80 4.927 -8.929 0.442 660 HD13 LEU 80 HD13 LEU 80 4.776 -8.312 2.083 661 HD21 LEU 80 HD21 LEU 80 2.527 -7.587 2.964 662 HD22 LEU 80 HD22 LEU 80 1.079 -7.826 2.001 663 HD23 LEU 80 HD23 LEU 80 2.197 -6.526 1.592 664 H LEU 81 H LEU 81 2.667 -8.209 -3.653 665 HA LEU 81 HA LEU 81 0.167 -9.053 -4.675 666 HB2 LEU 81 HB2 LEU 81 1.887 -7.089 -5.321 667 HB3 LEU 81 HB3 LEU 81 2.472 -8.250 -6.488 668 HG LEU 81 HG LEU 81 -0.326 -7.056 -6.373 669 HD11 LEU 81 HD11 LEU 81 0.307 -5.892 -8.454 670 HD12 LEU 81 HD12 LEU 81 1.935 -6.565 -8.344 671 HD13 LEU 81 HD13 LEU 81 1.359 -5.440 -7.113 672 HD21 LEU 81 HD21 LEU 81 -0.770 -8.142 -8.527 673 HD22 LEU 81 HD22 LEU 81 -0.460 -9.339 -7.271 674 HD23 LEU 81 HD23 LEU 81 0.794 -8.963 -8.455 675 H LYS 82 H LYS 82 3.455 -10.191 -5.063 676 HA LYS 82 HA LYS 82 2.973 -12.295 -6.927 677 HB2 LYS 82 HB2 LYS 82 5.161 -10.976 -6.543 678 HB3 LYS 82 HB3 LYS 82 5.392 -11.950 -5.103 679 HG2 LYS 82 HG2 LYS 82 6.698 -13.096 -6.619 680 HG3 LYS 82 HG3 LYS 82 5.186 -13.985 -6.774 681 HD2 LYS 82 HD2 LYS 82 6.088 -11.749 -8.637 682 HD3 LYS 82 HD3 LYS 82 6.313 -13.464 -8.961 683 HE2 LYS 82 HE2 LYS 82 3.862 -13.774 -9.015 684 HE3 LYS 82 HE3 LYS 82 3.635 -12.055 -8.684 685 HZ1 LYS 82 HZ1 LYS 82 3.415 -12.529 -11.032 686 HZ2 LYS 82 HZ2 LYS 82 4.967 -13.192 -11.084 687 HZ3 LYS 82 HZ3 LYS 82 4.762 -11.548 -10.764 688 H LYS 83 H LYS 83 3.324 -12.115 -3.386 689 HA LYS 83 HA LYS 83 3.513 -14.942 -2.923 690 HB2 LYS 83 HB2 LYS 83 4.244 -12.822 -1.419 691 HB3 LYS 83 HB3 LYS 83 2.657 -13.055 -0.704 692 HG2 LYS 83 HG2 LYS 83 4.847 -15.160 -0.845 693 HG3 LYS 83 HG3 LYS 83 4.492 -14.164 0.564 694 HD2 LYS 83 HD2 LYS 83 2.334 -15.246 0.866 695 HD3 LYS 83 HD3 LYS 83 2.484 -16.084 -0.680 696 HE2 LYS 83 HE2 LYS 83 4.257 -16.551 1.743 697 HE3 LYS 83 HE3 LYS 83 2.932 -17.592 1.223 698 HZ1 LYS 83 HZ1 LYS 83 4.110 -18.006 -0.839 699 HZ2 LYS 83 HZ2 LYS 83 5.061 -18.436 0.483 700 HZ3 LYS 83 HZ3 LYS 83 5.379 -17.006 -0.353 701 H ALA 84 H ALA 84 0.875 -12.578 -2.359 702 HA ALA 84 HA ALA 84 -1.078 -14.593 -1.675 703 HB1 ALA 84 HB1 ALA 84 -2.653 -12.705 -1.487 704 HB2 ALA 84 HB2 ALA 84 -1.448 -11.623 -2.195 705 HB3 ALA 84 HB3 ALA 84 -1.147 -12.371 -0.628 706 H GLY 85 H GLY 85 -3.074 -14.963 -2.863 707 HA2 GLY 85 HA2 GLY 85 -4.435 -15.152 -4.740 708 HA3 GLY 85 HA3 GLY 85 -3.318 -14.150 -5.650 709 H SER 86 H SER 86 -1.947 -15.166 -7.100 710 HA SER 86 HA SER 86 -1.460 -18.053 -6.991 711 HB2 SER 86 HB2 SER 86 -3.688 -17.920 -8.068 712 HB3 SER 86 HB3 SER 86 -3.040 -16.834 -9.297 713 HG SER 86 HG SER 86 -2.386 -19.557 -8.837 714 H LEU 87 H LEU 87 0.253 -18.753 -8.205 715 HA LEU 87 HA LEU 87 2.154 -16.831 -9.206 716 HB2 LEU 87 HB2 LEU 87 2.202 -19.883 -9.228 717 HB3 LEU 87 HB3 LEU 87 3.509 -18.888 -9.839 718 HG LEU 87 HG LEU 87 4.184 -19.642 -7.680 719 HD11 LEU 87 HD11 LEU 87 3.269 -16.764 -7.368 720 HD12 LEU 87 HD12 LEU 87 4.755 -17.306 -8.150 721 HD13 LEU 87 HD13 LEU 87 4.524 -17.569 -6.424 722 HD21 LEU 87 HD21 LEU 87 1.997 -20.341 -6.796 723 HD22 LEU 87 HD22 LEU 87 1.547 -18.655 -6.529 724 HD23 LEU 87 HD23 LEU 87 2.877 -19.372 -5.614 725 H VAL 88 H VAL 88 1.045 -15.849 -10.929 726 HA VAL 88 HA VAL 88 1.007 -17.438 -13.432 727 HB VAL 88 HB VAL 88 -1.294 -17.010 -12.842 728 HG11 VAL 88 HG11 VAL 88 -0.701 -14.024 -12.703 729 HG12 VAL 88 HG12 VAL 88 -1.074 -15.076 -11.338 730 HG13 VAL 88 HG13 VAL 88 -2.296 -14.773 -12.572 731 HG21 VAL 88 HG21 VAL 88 -0.460 -15.179 -15.128 732 HG22 VAL 88 HG22 VAL 88 -2.077 -15.836 -14.870 733 HG23 VAL 88 HG23 VAL 88 -0.736 -16.922 -15.228 734 HA PRO 89 HA PRO 89 4.024 -14.019 -14.278 735 HB2 PRO 89 HB2 PRO 89 5.870 -15.474 -15.574 736 HB3 PRO 89 HB3 PRO 89 5.627 -15.704 -13.838 737 HG2 PRO 89 HG2 PRO 89 4.602 -17.376 -16.127 738 HG3 PRO 89 HG3 PRO 89 5.355 -17.900 -14.605 739 HD2 PRO 89 HD2 PRO 89 2.599 -17.793 -15.047 740 HD3 PRO 89 HD3 PRO 89 3.361 -17.769 -13.444 741 H ARG 90 H ARG 90 1.587 -14.261 -15.775 742 HA ARG 90 HA ARG 90 2.039 -14.764 -18.567 743 HB2 ARG 90 HB2 ARG 90 -0.127 -15.179 -17.376 744 HB3 ARG 90 HB3 ARG 90 -0.339 -13.444 -17.184 745 HG2 ARG 90 HG2 ARG 90 -0.475 -13.185 -19.642 746 HG3 ARG 90 HG3 ARG 90 -0.244 -14.925 -19.838 747 HD2 ARG 90 HD2 ARG 90 -2.351 -15.264 -18.458 748 HD3 ARG 90 HD3 ARG 90 -2.610 -13.516 -18.545 749 HE ARG 90 HE ARG 90 -2.369 -14.148 -21.133 750 HH11 ARG 90 HH11 ARG 90 -4.333 -15.592 -18.669 751 HH12 ARG 90 HH12 ARG 90 -5.503 -16.162 -19.803 752 HH21 ARG 90 HH21 ARG 90 -3.885 -14.907 -22.543 753 HH22 ARG 90 HH22 ARG 90 -5.251 -15.787 -21.950 754 H GLY 91 H GLY 91 2.956 -13.364 -19.990 755 HA2 GLY 91 HA2 GLY 91 2.317 -11.159 -21.104 756 HA3 GLY 91 HA3 GLY 91 2.724 -10.421 -19.562 757 H SER 92 H SER 92 3.991 -9.310 -21.484 758 HA SER 92 HA SER 92 6.690 -10.503 -21.806 759 HB2 SER 92 HB2 SER 92 7.006 -8.770 -23.578 760 HB3 SER 92 HB3 SER 92 5.614 -9.805 -23.900 761 HG SER 92 HG SER 92 4.329 -8.141 -23.722 762 H TYR 93 H TYR 93 8.566 -9.117 -21.483 763 HA TYR 93 HA TYR 93 8.277 -7.455 -19.058 764 HB2 TYR 93 HB2 TYR 93 10.808 -8.656 -20.288 765 HB3 TYR 93 HB3 TYR 93 10.672 -7.910 -18.697 766 HD1 TYR 93 HD2 TYR 93 9.783 -10.904 -20.712 767 HD2 TYR 93 HD1 TYR 93 9.691 -9.158 -16.809 768 HE1 TYR 93 HE2 TYR 93 9.144 -13.071 -19.758 769 HE2 TYR 93 HE1 TYR 93 9.041 -11.330 -15.861 770 HH TYR 93 HH TYR 93 7.996 -13.416 -16.570 771 H LEU 94 H LEU 94 8.007 -5.318 -19.500 772 HA LEU 94 HA LEU 94 8.894 -4.086 -21.941 773 HB2 LEU 94 HB2 LEU 94 6.788 -3.422 -20.864 774 HB3 LEU 94 HB3 LEU 94 7.663 -2.860 -19.450 775 HG LEU 94 HG LEU 94 8.754 -1.087 -20.858 776 HD11 LEU 94 HD11 LEU 94 8.657 -2.148 -23.056 777 HD12 LEU 94 HD12 LEU 94 7.877 -0.570 -23.105 778 HD13 LEU 94 HD13 LEU 94 6.894 -2.034 -23.065 779 HD21 LEU 94 HD21 LEU 94 5.712 -1.002 -20.886 780 HD22 LEU 94 HD22 LEU 94 6.788 0.387 -21.038 781 HD23 LEU 94 HD23 LEU 94 6.754 -0.533 -19.538 782 H GLU 95 H GLU 95 11.087 -4.051 -22.100 783 HA GLU 95 HA GLU 95 12.575 -2.228 -20.286 784 HB2 GLU 95 HB2 GLU 95 13.638 -4.697 -21.738 785 HB3 GLU 95 HB3 GLU 95 14.637 -3.548 -20.849 786 HG2 GLU 95 HG2 GLU 95 13.501 -4.126 -18.753 787 HG3 GLU 95 HG3 GLU 95 12.424 -5.223 -19.616 788 H HIS 96 H HIS 96 14.098 -0.834 -21.308 789 HA HIS 96 HA HIS 96 14.091 -0.558 -24.220 790 HB2 HIS 96 HB2 HIS 96 13.274 1.895 -23.988 791 HB3 HIS 96 HB3 HIS 96 12.061 0.629 -23.859 792 HD1 HIS 96 HD1 HIS 96 13.967 3.085 -21.703 793 HD2 HIS 96 HD2 HIS 96 10.680 0.554 -21.445 794 HE1 HIS 96 HE1 HIS 96 12.855 3.647 -19.532 795 HE2 HIS 96 HE2 HIS 96 11.030 1.943 -19.298 796 H HIS 97 H HIS 97 16.278 -0.611 -24.396 797 HA HIS 97 HA HIS 97 18.109 0.661 -22.593 798 HB2 HIS 97 HB2 HIS 97 18.542 -0.597 -25.329 799 HB3 HIS 97 HB3 HIS 97 19.853 -0.000 -24.313 800 HD1 HIS 97 HD1 HIS 97 20.414 -1.361 -22.174 801 HD2 HIS 97 HD2 HIS 97 17.419 -3.060 -24.493 802 HE1 HIS 97 HE1 HIS 97 20.102 -3.675 -21.277 803 HE2 HIS 97 HE2 HIS 97 18.166 -4.607 -22.569 804 H HIS 98 H HIS 98 16.744 1.563 -25.728 805 HA HIS 98 HA HIS 98 16.467 3.521 -26.800 806 HB2 HIS 98 HB2 HIS 98 15.708 4.331 -24.594 807 HB3 HIS 98 HB3 HIS 98 17.358 4.772 -24.170 808 HD1 HIS 98 HD1 HIS 98 18.374 6.875 -25.409 809 HD2 HIS 98 HD2 HIS 98 14.343 6.196 -26.171 810 HE1 HIS 98 HE1 HIS 98 17.519 8.987 -26.454 811 HE2 HIS 98 HE2 HIS 98 15.082 8.557 -26.900 812 H HIS 99 H HIS 99 17.967 3.435 -28.450 813 HA HIS 99 HA HIS 99 20.639 4.670 -28.016 814 HB2 HIS 99 HB2 HIS 99 19.719 2.602 -30.059 815 HB3 HIS 99 HB3 HIS 99 21.251 3.464 -30.200 816 HD1 HIS 99 HD1 HIS 99 23.191 2.562 -28.889 817 HD2 HIS 99 HD2 HIS 99 19.588 0.902 -27.659 818 HE1 HIS 99 HE1 HIS 99 23.803 0.753 -27.272 819 HE2 HIS 99 HE2 HIS 99 21.606 -0.075 -26.389 820 H HIS 100 H HIS 100 20.390 6.777 -28.426 821 HA HIS 100 HA HIS 100 18.769 7.824 -30.617 822 HB2 HIS 100 HB2 HIS 100 18.746 8.963 -28.428 823 HB3 HIS 100 HB3 HIS 100 20.485 9.207 -28.499 824 HD1 HIS 100 HD1 HIS 100 17.258 10.489 -29.950 825 HD2 HIS 100 HD2 HIS 100 21.309 11.403 -30.059 826 HE1 HIS 100 HE1 HIS 100 17.410 12.772 -30.972 827 HE2 HIS 100 HE2 HIS 100 19.871 13.216 -31.183 828 H HIS 101 H HIS 101 19.591 8.045 -32.623 829 HA HIS 101 HA HIS 101 22.372 8.990 -33.023 830 HB2 HIS 101 HB2 HIS 101 21.068 6.684 -34.543 831 HB3 HIS 101 HB3 HIS 101 22.572 7.459 -35.032 832 HD1 HIS 101 HD1 HIS 101 21.179 5.007 -32.591 833 HD2 HIS 101 HD2 HIS 101 24.810 6.864 -33.369 834 HE1 HIS 101 HE1 HIS 101 22.874 3.737 -31.267 835 HE2 HIS 101 HE2 HIS 101 25.038 4.956 -31.649 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -5.015 -20.352 10.115 2 H2 MET 1 H2 MET 1 -6.689 -20.128 10.129 3 H3 MET 1 H3 MET 1 -5.771 -19.676 11.471 4 HA MET 1 HA MET 1 -5.584 -18.477 8.773 5 HB2 MET 1 HB2 MET 1 -7.720 -17.952 9.907 6 HB3 MET 1 HB3 MET 1 -6.846 -17.371 11.319 7 HG2 MET 1 HG2 MET 1 -7.684 -15.530 9.912 8 HG3 MET 1 HG3 MET 1 -5.922 -15.524 10.027 9 HE1 MET 1 HE1 MET 1 -6.449 -14.201 6.394 10 HE2 MET 1 HE2 MET 1 -5.673 -13.923 7.951 11 HE3 MET 1 HE3 MET 1 -7.430 -13.830 7.812 12 H GLN 2 H GLN 2 -4.826 -17.711 12.239 13 HA GLN 2 HA GLN 2 -2.422 -16.274 11.633 14 HB2 GLN 2 HB2 GLN 2 -3.891 -17.019 14.094 15 HB3 GLN 2 HB3 GLN 2 -2.152 -17.100 14.326 16 HG2 GLN 2 HG2 GLN 2 -1.934 -14.751 13.597 17 HG3 GLN 2 HG3 GLN 2 -3.676 -14.661 13.349 18 HE21 GLN 2 HE21 GLN 2 -1.856 -13.157 15.182 19 HE22 GLN 2 HE22 GLN 2 -2.523 -13.366 16.761 20 H GLU 3 H GLU 3 -1.009 -17.410 10.439 21 HA GLU 3 HA GLU 3 0.633 -19.491 11.491 22 HB2 GLU 3 HB2 GLU 3 -1.384 -20.865 10.992 23 HB3 GLU 3 HB3 GLU 3 -1.408 -20.256 9.342 24 HG2 GLU 3 HG2 GLU 3 0.800 -21.372 8.945 25 HG3 GLU 3 HG3 GLU 3 0.711 -22.057 10.567 26 H GLU 4 H GLU 4 -0.708 -18.446 8.349 27 HA GLU 4 HA GLU 4 1.873 -17.349 7.487 28 HB2 GLU 4 HB2 GLU 4 1.197 -18.483 5.112 29 HB3 GLU 4 HB3 GLU 4 2.226 -19.277 6.289 30 HG2 GLU 4 HG2 GLU 4 0.575 -20.818 5.334 31 HG3 GLU 4 HG3 GLU 4 0.393 -20.655 7.074 32 H ARG 5 H ARG 5 -1.614 -17.591 6.888 33 HA ARG 5 HA ARG 5 -1.663 -15.609 4.810 34 HB2 ARG 5 HB2 ARG 5 -3.250 -17.475 4.811 35 HB3 ARG 5 HB3 ARG 5 -3.917 -16.941 6.349 36 HG2 ARG 5 HG2 ARG 5 -4.800 -14.911 5.301 37 HG3 ARG 5 HG3 ARG 5 -4.048 -15.349 3.767 38 HD2 ARG 5 HD2 ARG 5 -6.190 -16.987 5.160 39 HD3 ARG 5 HD3 ARG 5 -6.507 -15.836 3.859 40 HE ARG 5 HE ARG 5 -5.071 -18.397 3.630 41 HH11 ARG 5 HH11 ARG 5 -6.466 -15.659 2.020 42 HH12 ARG 5 HH12 ARG 5 -6.368 -16.411 0.469 43 HH21 ARG 5 HH21 ARG 5 -4.954 -19.302 1.633 44 HH22 ARG 5 HH22 ARG 5 -5.526 -18.429 0.254 45 H LYS 6 H LYS 6 -2.643 -15.629 8.257 46 HA LYS 6 HA LYS 6 -3.607 -12.923 8.228 47 HB2 LYS 6 HB2 LYS 6 -4.001 -14.947 9.993 48 HB3 LYS 6 HB3 LYS 6 -2.703 -14.131 10.850 49 HG2 LYS 6 HG2 LYS 6 -5.278 -12.777 9.960 50 HG3 LYS 6 HG3 LYS 6 -5.048 -13.484 11.556 51 HD2 LYS 6 HD2 LYS 6 -3.359 -11.844 12.117 52 HD3 LYS 6 HD3 LYS 6 -3.296 -11.252 10.457 53 HE2 LYS 6 HE2 LYS 6 -4.547 -9.718 11.954 54 HE3 LYS 6 HE3 LYS 6 -5.561 -10.343 10.653 55 HZ1 LYS 6 HZ1 LYS 6 -6.695 -10.345 12.786 56 HZ2 LYS 6 HZ2 LYS 6 -5.521 -11.367 13.441 57 HZ3 LYS 6 HZ3 LYS 6 -6.520 -11.918 12.196 58 H LYS 7 H LYS 7 -0.535 -14.472 9.024 59 HA LYS 7 HA LYS 7 0.927 -12.237 9.944 60 HB2 LYS 7 HB2 LYS 7 1.540 -14.662 10.214 61 HB3 LYS 7 HB3 LYS 7 1.970 -14.726 8.516 62 HG2 LYS 7 HG2 LYS 7 3.345 -12.783 10.385 63 HG3 LYS 7 HG3 LYS 7 3.839 -14.473 10.326 64 HD2 LYS 7 HD2 LYS 7 4.368 -14.243 7.919 65 HD3 LYS 7 HD3 LYS 7 3.852 -12.554 7.959 66 HE2 LYS 7 HE2 LYS 7 6.286 -12.690 8.074 67 HE3 LYS 7 HE3 LYS 7 5.649 -12.061 9.595 68 HZ1 LYS 7 HZ1 LYS 7 6.491 -14.869 9.104 69 HZ2 LYS 7 HZ2 LYS 7 5.915 -14.253 10.570 70 HZ3 LYS 7 HZ3 LYS 7 7.384 -13.703 9.941 71 H LEU 8 H LEU 8 0.338 -13.503 6.693 72 HA LEU 8 HA LEU 8 1.942 -11.760 5.153 73 HB2 LEU 8 HB2 LEU 8 0.764 -13.887 4.437 74 HB3 LEU 8 HB3 LEU 8 -0.743 -13.001 4.395 75 HG LEU 8 HG LEU 8 1.607 -12.191 2.639 76 HD11 LEU 8 HD11 LEU 8 1.185 -14.563 2.202 77 HD12 LEU 8 HD12 LEU 8 0.708 -13.569 0.832 78 HD13 LEU 8 HD13 LEU 8 -0.525 -14.224 1.912 79 HD21 LEU 8 HD21 LEU 8 -1.387 -11.785 2.258 80 HD22 LEU 8 HD22 LEU 8 -0.112 -11.234 1.166 81 HD23 LEU 8 HD23 LEU 8 -0.235 -10.553 2.784 82 H LEU 9 H LEU 9 -1.457 -11.522 6.231 83 HA LEU 9 HA LEU 9 -1.992 -8.952 5.141 84 HB2 LEU 9 HB2 LEU 9 -3.396 -10.407 7.407 85 HB3 LEU 9 HB3 LEU 9 -4.001 -8.957 6.616 86 HG LEU 9 HG LEU 9 -3.681 -11.710 5.366 87 HD11 LEU 9 HD11 LEU 9 -6.122 -11.653 5.121 88 HD12 LEU 9 HD12 LEU 9 -6.176 -10.088 5.936 89 HD13 LEU 9 HD13 LEU 9 -5.637 -11.525 6.811 90 HD21 LEU 9 HD21 LEU 9 -3.097 -10.051 3.664 91 HD22 LEU 9 HD22 LEU 9 -4.579 -9.149 3.995 92 HD23 LEU 9 HD23 LEU 9 -4.665 -10.770 3.303 93 H GLU 10 H GLU 10 -0.556 -9.948 8.201 94 HA GLU 10 HA GLU 10 -0.658 -7.474 9.594 95 HB2 GLU 10 HB2 GLU 10 1.360 -9.754 9.785 96 HB3 GLU 10 HB3 GLU 10 1.348 -8.379 10.881 97 HG2 GLU 10 HG2 GLU 10 -0.876 -10.410 10.575 98 HG3 GLU 10 HG3 GLU 10 0.322 -10.381 11.864 99 H LYS 11 H LYS 11 1.852 -8.943 7.548 100 HA LYS 11 HA LYS 11 3.681 -6.776 7.578 101 HB2 LYS 11 HB2 LYS 11 4.357 -9.068 7.029 102 HB3 LYS 11 HB3 LYS 11 3.330 -9.068 5.602 103 HG2 LYS 11 HG2 LYS 11 4.740 -7.536 4.447 104 HG3 LYS 11 HG3 LYS 11 5.631 -7.119 5.918 105 HD2 LYS 11 HD2 LYS 11 6.575 -9.426 5.994 106 HD3 LYS 11 HD3 LYS 11 5.685 -9.832 4.523 107 HE2 LYS 11 HE2 LYS 11 8.083 -9.306 4.100 108 HE3 LYS 11 HE3 LYS 11 6.980 -8.242 3.233 109 HZ1 LYS 11 HZ1 LYS 11 8.430 -7.573 5.737 110 HZ2 LYS 11 HZ2 LYS 11 7.360 -6.545 4.925 111 HZ3 LYS 11 HZ3 LYS 11 8.808 -7.011 4.187 112 H LEU 12 H LEU 12 0.950 -7.580 5.490 113 HA LEU 12 HA LEU 12 1.312 -5.586 3.495 114 HB2 LEU 12 HB2 LEU 12 -0.127 -7.694 3.379 115 HB3 LEU 12 HB3 LEU 12 -1.307 -6.875 4.376 116 HG LEU 12 HG LEU 12 -1.784 -6.978 1.857 117 HD11 LEU 12 HD11 LEU 12 -3.035 -5.434 3.282 118 HD12 LEU 12 HD12 LEU 12 -2.748 -4.745 1.688 119 HD13 LEU 12 HD13 LEU 12 -1.790 -4.199 3.067 120 HD21 LEU 12 HD21 LEU 12 0.357 -4.836 1.681 121 HD22 LEU 12 HD22 LEU 12 -0.677 -5.417 0.370 122 HD23 LEU 12 HD23 LEU 12 0.515 -6.494 1.094 123 H GLU 13 H GLU 13 -0.590 -5.661 6.518 124 HA GLU 13 HA GLU 13 -1.679 -3.087 6.551 125 HB2 GLU 13 HB2 GLU 13 -0.851 -5.011 8.742 126 HB3 GLU 13 HB3 GLU 13 -1.435 -3.409 9.176 127 HG2 GLU 13 HG2 GLU 13 -3.015 -5.383 7.502 128 HG3 GLU 13 HG3 GLU 13 -3.167 -5.223 9.250 129 H LYS 14 H LYS 14 1.505 -4.216 7.591 130 HA LYS 14 HA LYS 14 2.410 -1.751 8.680 131 HB2 LYS 14 HB2 LYS 14 3.979 -4.195 7.773 132 HB3 LYS 14 HB3 LYS 14 4.664 -2.842 8.679 133 HG2 LYS 14 HG2 LYS 14 3.127 -3.297 10.550 134 HG3 LYS 14 HG3 LYS 14 2.418 -4.634 9.648 135 HD2 LYS 14 HD2 LYS 14 4.704 -5.738 9.655 136 HD3 LYS 14 HD3 LYS 14 5.248 -4.452 10.740 137 HE2 LYS 14 HE2 LYS 14 3.082 -6.510 11.285 138 HE3 LYS 14 HE3 LYS 14 4.660 -6.394 12.065 139 HZ1 LYS 14 HZ1 LYS 14 2.885 -5.507 13.449 140 HZ2 LYS 14 HZ2 LYS 14 2.498 -4.362 12.270 141 HZ3 LYS 14 HZ3 LYS 14 4.001 -4.302 13.048 142 H ILE 15 H ILE 15 2.598 -3.130 5.387 143 HA ILE 15 HA ILE 15 4.355 -1.240 4.218 144 HB ILE 15 HB ILE 15 1.874 -2.424 2.867 145 HG12 ILE 15 HG12 ILE 15 4.725 -3.525 2.892 146 HG13 ILE 15 HG13 ILE 15 3.353 -4.213 3.750 147 HG21 ILE 15 HG21 ILE 15 3.081 -2.003 0.734 148 HG22 ILE 15 HG22 ILE 15 4.399 -1.240 1.624 149 HG23 ILE 15 HG23 ILE 15 2.794 -0.506 1.620 150 HD11 ILE 15 HD11 ILE 15 3.643 -4.016 0.755 151 HD12 ILE 15 HD12 ILE 15 2.255 -4.686 1.618 152 HD13 ILE 15 HD13 ILE 15 3.829 -5.460 1.747 153 H LEU 16 H LEU 16 0.814 -1.216 4.515 154 HA LEU 16 HA LEU 16 0.269 1.318 3.429 155 HB2 LEU 16 HB2 LEU 16 -1.254 -0.574 5.224 156 HB3 LEU 16 HB3 LEU 16 -1.900 1.031 4.934 157 HG LEU 16 HG LEU 16 -2.097 0.596 2.537 158 HD11 LEU 16 HD11 LEU 16 -0.954 -2.168 3.030 159 HD12 LEU 16 HD12 LEU 16 -0.149 -0.854 2.172 160 HD13 LEU 16 HD13 LEU 16 -1.617 -1.565 1.508 161 HD21 LEU 16 HD21 LEU 16 -3.845 -1.123 2.585 162 HD22 LEU 16 HD22 LEU 16 -3.967 -0.067 3.989 163 HD23 LEU 16 HD23 LEU 16 -3.277 -1.683 4.161 164 H ASP 17 H ASP 17 0.893 0.358 6.802 165 HA ASP 17 HA ASP 17 0.221 2.877 7.964 166 HB2 ASP 17 HB2 ASP 17 0.147 0.704 9.190 167 HB3 ASP 17 HB3 ASP 17 1.904 0.629 9.133 168 H GLU 18 H GLU 18 3.312 1.436 6.915 169 HA GLU 18 HA GLU 18 4.962 3.585 7.867 170 HB2 GLU 18 HB2 GLU 18 5.569 1.474 5.761 171 HB3 GLU 18 HB3 GLU 18 6.755 2.576 6.448 172 HG2 GLU 18 HG2 GLU 18 5.245 0.401 7.914 173 HG3 GLU 18 HG3 GLU 18 6.941 0.373 7.453 174 H VAL 19 H VAL 19 3.343 2.927 4.759 175 HA VAL 19 HA VAL 19 4.713 5.057 3.370 176 HB VAL 19 HB VAL 19 3.928 2.962 2.202 177 HG11 VAL 19 HG11 VAL 19 1.720 2.702 3.138 178 HG12 VAL 19 HG12 VAL 19 1.625 2.813 1.380 179 HG13 VAL 19 HG13 VAL 19 1.186 4.200 2.378 180 HG21 VAL 19 HG21 VAL 19 3.026 5.592 0.993 181 HG22 VAL 19 HG22 VAL 19 3.322 4.101 0.097 182 HG23 VAL 19 HG23 VAL 19 4.651 4.907 0.928 183 H THR 20 H THR 20 1.573 4.783 5.035 184 HA THR 20 HA THR 20 0.423 7.238 4.175 185 HB THR 20 HB THR 20 -0.828 7.204 6.422 186 HG1 THR 20 HG1 THR 20 -0.366 4.698 7.125 187 HG21 THR 20 HG21 THR 20 -0.998 4.673 4.757 188 HG22 THR 20 HG22 THR 20 -1.853 6.184 4.441 189 HG23 THR 20 HG23 THR 20 -2.225 5.245 5.888 190 H ASP 21 H ASP 21 2.235 6.504 7.184 191 HA ASP 21 HA ASP 21 2.494 9.232 8.004 192 HB2 ASP 21 HB2 ASP 21 2.518 7.268 9.558 193 HB3 ASP 21 HB3 ASP 21 4.084 6.792 8.914 194 H GLY 22 H GLY 22 4.448 7.110 6.015 195 HA2 GLY 22 HA2 GLY 22 6.832 8.752 5.966 196 HA3 GLY 22 HA3 GLY 22 6.505 7.337 4.985 197 H ALA 23 H ALA 23 3.871 8.733 4.135 198 HA ALA 23 HA ALA 23 4.567 9.748 1.655 199 HB1 ALA 23 HB1 ALA 23 2.117 10.463 3.284 200 HB2 ALA 23 HB2 ALA 23 2.303 9.033 2.270 201 HB3 ALA 23 HB3 ALA 23 2.285 10.637 1.536 202 HA PRO 24 HA PRO 24 6.392 13.763 2.505 203 HB2 PRO 24 HB2 PRO 24 5.491 14.571 -0.239 204 HB3 PRO 24 HB3 PRO 24 7.122 14.531 0.446 205 HG2 PRO 24 HG2 PRO 24 6.367 12.669 -1.317 206 HG3 PRO 24 HG3 PRO 24 7.352 12.214 0.088 207 HD2 PRO 24 HD2 PRO 24 4.368 11.915 -0.302 208 HD3 PRO 24 HD3 PRO 24 5.546 10.732 0.321 209 H ASP 25 H ASP 25 3.546 14.554 0.401 210 HA ASP 25 HA ASP 25 2.609 16.469 2.470 211 HB2 ASP 25 HB2 ASP 25 2.973 17.055 -0.508 212 HB3 ASP 25 HB3 ASP 25 2.167 18.137 0.623 213 H GLU 26 H GLU 26 0.806 16.880 -0.408 214 HA GLU 26 HA GLU 26 -1.576 15.879 0.822 215 HB2 GLU 26 HB2 GLU 26 -2.734 16.667 -1.203 216 HB3 GLU 26 HB3 GLU 26 -1.627 17.890 -0.585 217 HG2 GLU 26 HG2 GLU 26 0.037 17.213 -2.327 218 HG3 GLU 26 HG3 GLU 26 -1.142 16.070 -2.969 219 H ALA 27 H ALA 27 0.779 14.277 -1.041 220 HA ALA 27 HA ALA 27 -0.658 12.182 -2.240 221 HB1 ALA 27 HB1 ALA 27 1.413 10.842 -2.010 222 HB2 ALA 27 HB2 ALA 27 2.075 12.039 -0.888 223 HB3 ALA 27 HB3 ALA 27 1.777 12.478 -2.572 224 H ARG 28 H ARG 28 -0.279 12.982 1.112 225 HA ARG 28 HA ARG 28 -0.380 10.329 2.248 226 HB2 ARG 28 HB2 ARG 28 0.778 12.230 3.394 227 HB3 ARG 28 HB3 ARG 28 -0.764 13.053 3.576 228 HG2 ARG 28 HG2 ARG 28 -1.556 11.357 5.119 229 HG3 ARG 28 HG3 ARG 28 -0.141 10.351 4.810 230 HD2 ARG 28 HD2 ARG 28 0.208 11.431 6.929 231 HD3 ARG 28 HD3 ARG 28 1.291 12.196 5.762 232 HE ARG 28 HE ARG 28 -1.196 13.601 6.035 233 HH11 ARG 28 HH11 ARG 28 1.949 13.257 7.474 234 HH12 ARG 28 HH12 ARG 28 1.864 14.803 8.242 235 HH21 ARG 28 HH21 ARG 28 -1.260 15.549 7.057 236 HH22 ARG 28 HH22 ARG 28 0.079 16.067 8.020 237 H GLU 29 H GLU 29 -2.552 12.883 1.431 238 HA GLU 29 HA GLU 29 -4.927 12.111 2.721 239 HB2 GLU 29 HB2 GLU 29 -4.224 14.304 1.535 240 HB3 GLU 29 HB3 GLU 29 -4.704 13.523 0.040 241 HG2 GLU 29 HG2 GLU 29 -6.545 13.968 2.387 242 HG3 GLU 29 HG3 GLU 29 -6.368 15.098 1.055 243 H ARG 30 H ARG 30 -3.684 11.388 -0.554 244 HA ARG 30 HA ARG 30 -5.667 9.648 -1.493 245 HB2 ARG 30 HB2 ARG 30 -3.874 10.557 -2.938 246 HB3 ARG 30 HB3 ARG 30 -2.665 9.648 -2.045 247 HG2 ARG 30 HG2 ARG 30 -2.999 8.476 -4.087 248 HG3 ARG 30 HG3 ARG 30 -3.797 7.518 -2.842 249 HD2 ARG 30 HD2 ARG 30 -5.240 7.554 -4.761 250 HD3 ARG 30 HD3 ARG 30 -5.981 8.592 -3.538 251 HE ARG 30 HE ARG 30 -4.425 10.252 -5.112 252 HH11 ARG 30 HH11 ARG 30 -7.188 8.214 -5.660 253 HH12 ARG 30 HH12 ARG 30 -7.743 9.172 -6.985 254 HH21 ARG 30 HH21 ARG 30 -5.146 11.414 -6.806 255 HH22 ARG 30 HH22 ARG 30 -6.605 10.965 -7.621 256 H ILE 31 H ILE 31 -2.764 8.964 0.494 257 HA ILE 31 HA ILE 31 -3.079 6.112 0.342 258 HB ILE 31 HB ILE 31 -1.338 7.387 2.500 259 HG12 ILE 31 HG12 ILE 31 -0.753 7.252 -0.476 260 HG13 ILE 31 HG13 ILE 31 -0.692 8.652 0.569 261 HG21 ILE 31 HG21 ILE 31 -1.030 4.867 0.805 262 HG22 ILE 31 HG22 ILE 31 -1.632 4.920 2.463 263 HG23 ILE 31 HG23 ILE 31 0.034 5.377 2.121 264 HD11 ILE 31 HD11 ILE 31 1.288 7.693 1.679 265 HD12 ILE 31 HD12 ILE 31 1.512 7.983 -0.045 266 HD13 ILE 31 HD13 ILE 31 1.237 6.344 0.542 267 H GLU 32 H GLU 32 -3.890 8.541 2.857 268 HA GLU 32 HA GLU 32 -4.621 6.805 4.969 269 HB2 GLU 32 HB2 GLU 32 -5.548 9.619 4.262 270 HB3 GLU 32 HB3 GLU 32 -6.087 8.809 5.724 271 HG2 GLU 32 HG2 GLU 32 -3.150 9.243 5.140 272 HG3 GLU 32 HG3 GLU 32 -4.137 10.487 5.901 273 H LYS 33 H LYS 33 -6.544 8.249 2.375 274 HA LYS 33 HA LYS 33 -9.094 7.227 2.998 275 HB2 LYS 33 HB2 LYS 33 -8.635 9.103 1.424 276 HB3 LYS 33 HB3 LYS 33 -7.889 7.978 0.297 277 HG2 LYS 33 HG2 LYS 33 -10.111 6.815 0.076 278 HG3 LYS 33 HG3 LYS 33 -10.823 8.077 1.086 279 HD2 LYS 33 HD2 LYS 33 -9.479 8.479 -1.622 280 HD3 LYS 33 HD3 LYS 33 -11.210 8.554 -1.297 281 HE2 LYS 33 HE2 LYS 33 -10.869 10.538 0.121 282 HE3 LYS 33 HE3 LYS 33 -9.128 10.458 -0.159 283 HZ1 LYS 33 HZ1 LYS 33 -11.208 10.940 -2.225 284 HZ2 LYS 33 HZ2 LYS 33 -9.551 10.809 -2.527 285 HZ3 LYS 33 HZ3 LYS 33 -10.140 12.086 -1.592 286 H LEU 34 H LEU 34 -6.668 6.038 0.636 287 HA LEU 34 HA LEU 34 -8.243 3.780 -0.174 288 HB2 LEU 34 HB2 LEU 34 -6.695 4.997 -1.682 289 HB3 LEU 34 HB3 LEU 34 -5.328 4.418 -0.744 290 HG LEU 34 HG LEU 34 -5.777 2.098 -1.441 291 HD11 LEU 34 HD11 LEU 34 -7.523 1.548 -3.086 292 HD12 LEU 34 HD12 LEU 34 -8.142 3.198 -2.992 293 HD13 LEU 34 HD13 LEU 34 -8.213 2.144 -1.578 294 HD21 LEU 34 HD21 LEU 34 -4.345 3.476 -2.895 295 HD22 LEU 34 HD22 LEU 34 -5.756 3.973 -3.833 296 HD23 LEU 34 HD23 LEU 34 -5.247 2.283 -3.828 297 H ALA 35 H ALA 35 -5.729 4.219 2.239 298 HA ALA 35 HA ALA 35 -5.073 1.503 2.736 299 HB1 ALA 35 HB1 ALA 35 -5.012 3.812 4.714 300 HB2 ALA 35 HB2 ALA 35 -3.695 3.338 3.640 301 HB3 ALA 35 HB3 ALA 35 -4.222 2.244 4.921 302 H LYS 36 H LYS 36 -7.526 3.687 4.179 303 HA LYS 36 HA LYS 36 -8.645 1.806 5.982 304 HB2 LYS 36 HB2 LYS 36 -8.940 4.291 6.157 305 HB3 LYS 36 HB3 LYS 36 -10.038 4.232 4.780 306 HG2 LYS 36 HG2 LYS 36 -11.585 2.794 6.058 307 HG3 LYS 36 HG3 LYS 36 -10.473 2.796 7.427 308 HD2 LYS 36 HD2 LYS 36 -10.803 5.236 7.697 309 HD3 LYS 36 HD3 LYS 36 -11.893 5.251 6.308 310 HE2 LYS 36 HE2 LYS 36 -12.371 3.708 8.884 311 HE3 LYS 36 HE3 LYS 36 -13.107 5.260 8.483 312 HZ1 LYS 36 HZ1 LYS 36 -14.577 3.379 8.021 313 HZ2 LYS 36 HZ2 LYS 36 -13.460 2.755 6.919 314 HZ3 LYS 36 HZ3 LYS 36 -14.209 4.240 6.612 315 H ASP 37 H ASP 37 -9.288 2.477 2.597 316 HA ASP 37 HA ASP 37 -11.609 0.918 2.197 317 HB2 ASP 37 HB2 ASP 37 -10.661 2.576 0.581 318 HB3 ASP 37 HB3 ASP 37 -9.315 1.487 0.273 319 H VAL 38 H VAL 38 -8.127 0.055 2.040 320 HA VAL 38 HA VAL 38 -8.476 -2.703 1.389 321 HB VAL 38 HB VAL 38 -6.080 -1.388 2.760 322 HG11 VAL 38 HG11 VAL 38 -6.010 -3.820 3.055 323 HG12 VAL 38 HG12 VAL 38 -4.763 -3.321 1.914 324 HG13 VAL 38 HG13 VAL 38 -6.249 -4.069 1.323 325 HG21 VAL 38 HG21 VAL 38 -6.512 -1.935 -0.205 326 HG22 VAL 38 HG22 VAL 38 -5.050 -1.265 0.523 327 HG23 VAL 38 HG23 VAL 38 -6.555 -0.350 0.570 328 H LYS 39 H LYS 39 -8.228 -0.976 4.524 329 HA LYS 39 HA LYS 39 -7.897 -3.069 6.337 330 HB2 LYS 39 HB2 LYS 39 -9.764 -0.694 6.812 331 HB3 LYS 39 HB3 LYS 39 -9.019 -1.693 8.052 332 HG2 LYS 39 HG2 LYS 39 -7.565 0.197 6.192 333 HG3 LYS 39 HG3 LYS 39 -7.987 0.528 7.867 334 HD2 LYS 39 HD2 LYS 39 -6.498 -1.287 8.595 335 HD3 LYS 39 HD3 LYS 39 -6.093 -1.633 6.911 336 HE2 LYS 39 HE2 LYS 39 -5.107 0.624 6.681 337 HE3 LYS 39 HE3 LYS 39 -5.518 0.979 8.362 338 HZ1 LYS 39 HZ1 LYS 39 -3.622 -1.102 7.404 339 HZ2 LYS 39 HZ2 LYS 39 -4.074 -0.891 9.018 340 HZ3 LYS 39 HZ3 LYS 39 -3.224 0.334 8.215 341 H ASP 40 H ASP 40 -10.946 -1.767 5.041 342 HA ASP 40 HA ASP 40 -12.716 -3.451 6.466 343 HB2 ASP 40 HB2 ASP 40 -13.116 -1.181 5.173 344 HB3 ASP 40 HB3 ASP 40 -13.427 -2.212 3.786 345 H GLU 41 H GLU 41 -11.262 -3.729 3.245 346 HA GLU 41 HA GLU 41 -12.644 -6.015 2.303 347 HB2 GLU 41 HB2 GLU 41 -9.949 -4.846 1.533 348 HB3 GLU 41 HB3 GLU 41 -10.721 -6.162 0.654 349 HG2 GLU 41 HG2 GLU 41 -11.876 -3.375 0.998 350 HG3 GLU 41 HG3 GLU 41 -11.031 -3.964 -0.428 351 H LEU 42 H LEU 42 -9.849 -5.741 4.431 352 HA LEU 42 HA LEU 42 -8.735 -8.307 4.182 353 HB2 LEU 42 HB2 LEU 42 -8.920 -6.602 6.690 354 HB3 LEU 42 HB3 LEU 42 -7.885 -8.011 6.509 355 HG LEU 42 HG LEU 42 -7.630 -5.396 4.975 356 HD11 LEU 42 HD11 LEU 42 -5.840 -6.603 7.100 357 HD12 LEU 42 HD12 LEU 42 -6.903 -5.208 7.299 358 HD13 LEU 42 HD13 LEU 42 -5.527 -5.113 6.202 359 HD21 LEU 42 HD21 LEU 42 -6.961 -7.272 3.530 360 HD22 LEU 42 HD22 LEU 42 -5.872 -7.868 4.784 361 HD23 LEU 42 HD23 LEU 42 -5.561 -6.314 4.008 362 H GLU 43 H GLU 43 -11.547 -7.262 6.100 363 HA GLU 43 HA GLU 43 -12.004 -9.705 7.493 364 HB2 GLU 43 HB2 GLU 43 -13.805 -7.351 6.824 365 HB3 GLU 43 HB3 GLU 43 -14.444 -8.769 7.643 366 HG2 GLU 43 HG2 GLU 43 -13.946 -7.033 9.257 367 HG3 GLU 43 HG3 GLU 43 -12.889 -8.419 9.509 368 H GLU 44 H GLU 44 -13.468 -8.404 4.513 369 HA GLU 44 HA GLU 44 -13.716 -10.989 3.285 370 HB2 GLU 44 HB2 GLU 44 -15.714 -11.032 4.782 371 HB3 GLU 44 HB3 GLU 44 -16.298 -9.545 4.050 372 HG2 GLU 44 HG2 GLU 44 -17.517 -11.462 3.175 373 HG3 GLU 44 HG3 GLU 44 -16.577 -10.706 1.892 374 H GLY 45 H GLY 45 -14.041 -10.845 1.063 375 HA2 GLY 45 HA2 GLY 45 -14.909 -9.215 -0.767 376 HA3 GLY 45 HA3 GLY 45 -13.678 -8.144 -0.103 377 H ASP 46 H ASP 46 -11.782 -8.190 -1.164 378 HA ASP 46 HA ASP 46 -10.455 -10.706 -1.717 379 HB2 ASP 46 HB2 ASP 46 -11.908 -10.120 -3.812 380 HB3 ASP 46 HB3 ASP 46 -10.743 -8.842 -4.115 381 H ALA 47 H ALA 47 -8.838 -10.064 -0.311 382 HA ALA 47 HA ALA 47 -7.699 -7.467 -0.166 383 HB1 ALA 47 HB1 ALA 47 -6.523 -10.097 0.810 384 HB2 ALA 47 HB2 ALA 47 -7.636 -9.065 1.710 385 HB3 ALA 47 HB3 ALA 47 -6.023 -8.477 1.312 386 H LYS 48 H LYS 48 -6.705 -10.366 -1.998 387 HA LYS 48 HA LYS 48 -4.187 -9.522 -2.952 388 HB2 LYS 48 HB2 LYS 48 -4.871 -11.826 -3.184 389 HB3 LYS 48 HB3 LYS 48 -6.285 -11.394 -4.124 390 HG2 LYS 48 HG2 LYS 48 -3.547 -10.809 -5.256 391 HG3 LYS 48 HG3 LYS 48 -4.135 -12.470 -5.265 392 HD2 LYS 48 HD2 LYS 48 -6.186 -11.656 -6.514 393 HD3 LYS 48 HD3 LYS 48 -5.432 -10.065 -6.619 394 HE2 LYS 48 HE2 LYS 48 -4.313 -12.633 -7.796 395 HE3 LYS 48 HE3 LYS 48 -5.140 -11.367 -8.703 396 HZ1 LYS 48 HZ1 LYS 48 -2.752 -11.193 -8.911 397 HZ2 LYS 48 HZ2 LYS 48 -2.578 -11.046 -7.235 398 HZ3 LYS 48 HZ3 LYS 48 -3.370 -9.835 -8.111 399 H ASN 49 H ASN 49 -7.444 -8.999 -4.278 400 HA ASN 49 HA ASN 49 -6.775 -7.531 -6.600 401 HB2 ASN 49 HB2 ASN 49 -9.023 -8.537 -6.144 402 HB3 ASN 49 HB3 ASN 49 -9.300 -7.338 -4.893 403 HD21 ASN 49 HD21 ASN 49 -9.027 -7.872 -8.336 404 HD22 ASN 49 HD22 ASN 49 -9.760 -6.385 -8.823 405 H MET 50 H MET 50 -7.249 -6.584 -3.245 406 HA MET 50 HA MET 50 -7.183 -3.754 -3.637 407 HB2 MET 50 HB2 MET 50 -6.800 -5.418 -1.125 408 HB3 MET 50 HB3 MET 50 -6.965 -3.660 -1.148 409 HG2 MET 50 HG2 MET 50 -9.035 -5.642 -2.099 410 HG3 MET 50 HG3 MET 50 -9.078 -4.734 -0.590 411 HE1 MET 50 HE1 MET 50 -9.566 -1.062 -1.828 412 HE2 MET 50 HE2 MET 50 -8.015 -1.846 -1.523 413 HE3 MET 50 HE3 MET 50 -9.376 -2.132 -0.436 414 H ILE 51 H ILE 51 -4.683 -6.170 -3.047 415 HA ILE 51 HA ILE 51 -2.571 -4.394 -2.314 416 HB ILE 51 HB ILE 51 -2.411 -7.150 -3.625 417 HG12 ILE 51 HG12 ILE 51 -2.131 -6.444 -0.661 418 HG13 ILE 51 HG13 ILE 51 -3.593 -7.089 -1.390 419 HG21 ILE 51 HG21 ILE 51 -0.092 -7.266 -2.739 420 HG22 ILE 51 HG22 ILE 51 -0.229 -5.598 -2.180 421 HG23 ILE 51 HG23 ILE 51 -0.289 -5.957 -3.905 422 HD11 ILE 51 HD11 ILE 51 -2.413 -9.133 -1.984 423 HD12 ILE 51 HD12 ILE 51 -2.349 -8.812 -0.251 424 HD13 ILE 51 HD13 ILE 51 -0.935 -8.495 -1.256 425 H GLU 52 H GLU 52 -3.439 -5.926 -5.430 426 HA GLU 52 HA GLU 52 -1.454 -4.652 -7.006 427 HB2 GLU 52 HB2 GLU 52 -2.764 -5.496 -8.965 428 HB3 GLU 52 HB3 GLU 52 -2.421 -6.730 -7.757 429 HG2 GLU 52 HG2 GLU 52 -4.716 -6.516 -6.881 430 HG3 GLU 52 HG3 GLU 52 -5.064 -5.290 -8.097 431 H LYS 53 H LYS 53 -4.847 -3.701 -6.280 432 HA LYS 53 HA LYS 53 -4.787 -1.504 -8.184 433 HB2 LYS 53 HB2 LYS 53 -7.006 -0.892 -7.453 434 HB3 LYS 53 HB3 LYS 53 -6.923 -2.628 -7.661 435 HG2 LYS 53 HG2 LYS 53 -8.180 -2.491 -5.730 436 HG3 LYS 53 HG3 LYS 53 -6.566 -2.668 -5.057 437 HD2 LYS 53 HD2 LYS 53 -7.830 -0.972 -3.820 438 HD3 LYS 53 HD3 LYS 53 -6.463 -0.224 -4.644 439 HE2 LYS 53 HE2 LYS 53 -8.442 1.183 -4.860 440 HE3 LYS 53 HE3 LYS 53 -7.991 0.547 -6.441 441 HZ1 LYS 53 HZ1 LYS 53 -10.135 -0.544 -4.700 442 HZ2 LYS 53 HZ2 LYS 53 -9.728 -1.102 -6.244 443 HZ3 LYS 53 HZ3 LYS 53 -10.372 0.448 -6.047 444 H PHE 54 H PHE 54 -4.256 -1.809 -4.684 445 HA PHE 54 HA PHE 54 -3.914 0.928 -4.072 446 HB2 PHE 54 HB2 PHE 54 -4.080 -0.749 -2.276 447 HB3 PHE 54 HB3 PHE 54 -2.582 -1.509 -2.793 448 HD1 PHE 54 HD2 PHE 54 -3.978 1.639 -1.312 449 HD2 PHE 54 HD1 PHE 54 -0.472 -0.726 -1.936 450 HE1 PHE 54 HE2 PHE 54 -2.707 3.121 0.182 451 HE2 PHE 54 HE1 PHE 54 0.788 0.764 -0.445 452 HZ PHE 54 HZ PHE 54 -0.303 2.695 0.598 453 H ARG 55 H ARG 55 -1.784 -1.462 -5.521 454 HA ARG 55 HA ARG 55 0.630 0.043 -5.496 455 HB2 ARG 55 HB2 ARG 55 0.317 -2.504 -5.792 456 HB3 ARG 55 HB3 ARG 55 -0.044 -2.171 -7.475 457 HG2 ARG 55 HG2 ARG 55 2.532 -1.084 -6.372 458 HG3 ARG 55 HG3 ARG 55 2.425 -2.824 -6.609 459 HD2 ARG 55 HD2 ARG 55 1.917 -0.761 -8.776 460 HD3 ARG 55 HD3 ARG 55 3.449 -1.606 -8.537 461 HE ARG 55 HE ARG 55 0.896 -2.931 -9.265 462 HH11 ARG 55 HH11 ARG 55 4.347 -2.768 -9.536 463 HH12 ARG 55 HH12 ARG 55 4.431 -4.173 -10.538 464 HH21 ARG 55 HH21 ARG 55 1.036 -4.704 -10.560 465 HH22 ARG 55 HH22 ARG 55 2.584 -5.256 -11.101 466 H ASP 56 H ASP 56 -2.080 -0.106 -7.787 467 HA ASP 56 HA ASP 56 -0.870 1.316 -9.934 468 HB2 ASP 56 HB2 ASP 56 -2.945 -0.040 -10.187 469 HB3 ASP 56 HB3 ASP 56 -3.826 1.129 -9.206 470 H GLU 57 H GLU 57 -3.137 2.518 -7.375 471 HA GLU 57 HA GLU 57 -2.745 5.285 -7.929 472 HB2 GLU 57 HB2 GLU 57 -3.782 3.852 -5.467 473 HB3 GLU 57 HB3 GLU 57 -3.601 5.601 -5.501 474 HG2 GLU 57 HG2 GLU 57 -5.881 5.134 -5.961 475 HG3 GLU 57 HG3 GLU 57 -5.153 5.671 -7.472 476 H MET 58 H MET 58 -0.999 3.023 -5.832 477 HA MET 58 HA MET 58 0.659 4.776 -4.440 478 HB2 MET 58 HB2 MET 58 0.513 2.379 -3.908 479 HB3 MET 58 HB3 MET 58 1.308 1.975 -5.426 480 HG2 MET 58 HG2 MET 58 2.843 1.841 -3.523 481 HG3 MET 58 HG3 MET 58 3.341 3.077 -4.680 482 HE1 MET 58 HE1 MET 58 4.743 4.689 -3.388 483 HE2 MET 58 HE2 MET 58 4.841 3.352 -2.236 484 HE3 MET 58 HE3 MET 58 4.528 4.991 -1.665 485 H GLU 59 H GLU 59 1.142 3.297 -7.629 486 HA GLU 59 HA GLU 59 3.696 4.398 -8.152 487 HB2 GLU 59 HB2 GLU 59 2.670 2.445 -9.362 488 HB3 GLU 59 HB3 GLU 59 1.577 3.562 -10.170 489 HG2 GLU 59 HG2 GLU 59 3.439 4.638 -11.319 490 HG3 GLU 59 HG3 GLU 59 4.604 3.666 -10.418 491 H GLN 60 H GLN 60 0.404 5.583 -8.758 492 HA GLN 60 HA GLN 60 0.986 7.875 -10.295 493 HB2 GLN 60 HB2 GLN 60 -1.262 6.880 -10.051 494 HB3 GLN 60 HB3 GLN 60 -1.322 7.357 -8.366 495 HG2 GLN 60 HG2 GLN 60 -1.041 9.449 -10.532 496 HG3 GLN 60 HG3 GLN 60 -2.614 8.752 -10.174 497 HE21 GLN 60 HE21 GLN 60 -1.619 11.517 -9.870 498 HE22 GLN 60 HE22 GLN 60 -1.904 11.930 -8.218 499 H MET 61 H MET 61 0.443 7.645 -6.735 500 HA MET 61 HA MET 61 1.088 10.415 -6.275 501 HB2 MET 61 HB2 MET 61 0.818 9.869 -3.857 502 HB3 MET 61 HB3 MET 61 -0.557 9.401 -4.846 503 HG2 MET 61 HG2 MET 61 0.391 7.048 -4.852 504 HG3 MET 61 HG3 MET 61 1.527 7.598 -3.614 505 HE1 MET 61 HE1 MET 61 0.417 5.500 -2.129 506 HE2 MET 61 HE2 MET 61 -0.803 5.188 -3.369 507 HE3 MET 61 HE3 MET 61 -1.294 5.465 -1.698 508 H TYR 62 H TYR 62 2.978 7.483 -6.266 509 HA TYR 62 HA TYR 62 5.335 8.471 -5.010 510 HB2 TYR 62 HB2 TYR 62 5.187 6.106 -5.295 511 HB3 TYR 62 HB3 TYR 62 4.809 6.244 -7.006 512 HD1 TYR 62 HD1 TYR 62 7.620 6.785 -4.541 513 HD2 TYR 62 HD2 TYR 62 6.532 6.033 -8.619 514 HE1 TYR 62 HE1 TYR 62 9.980 6.453 -5.124 515 HE2 TYR 62 HE2 TYR 62 8.894 5.706 -9.185 516 HH TYR 62 HH TYR 62 11.317 5.322 -6.859 517 H LYS 63 H LYS 63 4.286 8.466 -8.451 518 HA LYS 63 HA LYS 63 6.550 9.918 -9.439 519 HB2 LYS 63 HB2 LYS 63 3.772 9.699 -10.675 520 HB3 LYS 63 HB3 LYS 63 5.213 10.280 -11.501 521 HG2 LYS 63 HG2 LYS 63 4.711 7.464 -10.506 522 HG3 LYS 63 HG3 LYS 63 4.693 8.005 -12.182 523 HD2 LYS 63 HD2 LYS 63 7.114 8.490 -12.055 524 HD3 LYS 63 HD3 LYS 63 7.134 7.991 -10.359 525 HE2 LYS 63 HE2 LYS 63 6.472 5.707 -11.017 526 HE3 LYS 63 HE3 LYS 63 6.427 6.198 -12.713 527 HZ1 LYS 63 HZ1 LYS 63 8.490 5.043 -12.101 528 HZ2 LYS 63 HZ2 LYS 63 8.853 6.273 -10.996 529 HZ3 LYS 63 HZ3 LYS 63 8.779 6.618 -12.644 530 H ASP 64 H ASP 64 3.533 10.906 -7.960 531 HA ASP 64 HA ASP 64 3.552 13.673 -8.615 532 HB2 ASP 64 HB2 ASP 64 1.528 12.632 -7.753 533 HB3 ASP 64 HB3 ASP 64 2.346 12.131 -6.280 534 H ALA 65 H ALA 65 4.650 11.978 -5.651 535 HA ALA 65 HA ALA 65 6.773 13.941 -5.196 536 HB1 ALA 65 HB1 ALA 65 4.817 14.922 -4.052 537 HB2 ALA 65 HB2 ALA 65 6.046 14.424 -2.889 538 HB3 ALA 65 HB3 ALA 65 4.601 13.437 -3.123 539 HA PRO 66 HA PRO 66 8.295 9.862 -3.659 540 HB2 PRO 66 HB2 PRO 66 10.499 9.616 -5.197 541 HB3 PRO 66 HB3 PRO 66 8.891 9.279 -5.850 542 HG2 PRO 66 HG2 PRO 66 10.650 11.665 -6.280 543 HG3 PRO 66 HG3 PRO 66 9.515 10.887 -7.399 544 HD2 PRO 66 HD2 PRO 66 9.018 13.211 -5.811 545 HD3 PRO 66 HD3 PRO 66 7.819 12.301 -6.756 546 H ASN 67 H ASN 67 9.402 9.903 -1.728 547 HA ASN 67 HA ASN 67 11.577 11.852 -1.322 548 HB2 ASN 67 HB2 ASN 67 11.519 10.904 1.105 549 HB3 ASN 67 HB3 ASN 67 10.206 11.937 0.564 550 HD21 ASN 67 HD21 ASN 67 8.661 11.200 1.954 551 HD22 ASN 67 HD22 ASN 67 8.049 9.586 1.949 552 H ALA 68 H ALA 68 11.651 8.527 0.053 553 HA ALA 68 HA ALA 68 13.506 7.570 -1.959 554 HB1 ALA 68 HB1 ALA 68 14.416 7.809 0.936 555 HB2 ALA 68 HB2 ALA 68 15.020 8.774 -0.410 556 HB3 ALA 68 HB3 ALA 68 15.320 7.035 -0.368 557 H VAL 69 H VAL 69 12.402 6.803 1.365 558 HA VAL 69 HA VAL 69 12.391 3.984 1.051 559 HB VAL 69 HB VAL 69 11.194 3.863 3.187 560 HG11 VAL 69 HG11 VAL 69 13.599 4.326 3.274 561 HG12 VAL 69 HG12 VAL 69 12.776 5.116 4.618 562 HG13 VAL 69 HG13 VAL 69 13.295 6.065 3.222 563 HG21 VAL 69 HG21 VAL 69 10.398 5.898 4.373 564 HG22 VAL 69 HG22 VAL 69 9.506 5.619 2.879 565 HG23 VAL 69 HG23 VAL 69 10.749 6.871 2.941 566 H MET 70 H MET 70 10.026 6.387 0.198 567 HA MET 70 HA MET 70 7.633 4.956 0.097 568 HB2 MET 70 HB2 MET 70 7.979 7.446 -0.203 569 HB3 MET 70 HB3 MET 70 8.538 7.136 -1.838 570 HG2 MET 70 HG2 MET 70 6.352 6.361 -2.496 571 HG3 MET 70 HG3 MET 70 5.784 6.408 -0.826 572 HE1 MET 70 HE1 MET 70 3.644 7.851 -1.353 573 HE2 MET 70 HE2 MET 70 4.039 7.757 -3.073 574 HE3 MET 70 HE3 MET 70 3.675 9.316 -2.335 575 H GLU 71 H GLU 71 10.319 5.013 -2.200 576 HA GLU 71 HA GLU 71 9.135 3.544 -4.337 577 HB2 GLU 71 HB2 GLU 71 11.211 4.907 -4.547 578 HB3 GLU 71 HB3 GLU 71 12.062 3.770 -3.509 579 HG2 GLU 71 HG2 GLU 71 11.618 1.983 -5.245 580 HG3 GLU 71 HG3 GLU 71 10.974 3.241 -6.298 581 H GLN 72 H GLN 72 11.062 2.556 -1.522 582 HA GLN 72 HA GLN 72 11.237 -0.229 -2.124 583 HB2 GLN 72 HB2 GLN 72 11.599 1.223 0.528 584 HB3 GLN 72 HB3 GLN 72 12.093 -0.439 0.204 585 HG2 GLN 72 HG2 GLN 72 13.717 0.328 -1.450 586 HG3 GLN 72 HG3 GLN 72 13.179 1.995 -1.246 587 HE21 GLN 72 HE21 GLN 72 15.841 0.790 -0.837 588 HE22 GLN 72 HE22 GLN 72 16.284 1.179 0.785 589 H LEU 73 H LEU 73 8.939 1.704 -0.298 590 HA LEU 73 HA LEU 73 7.413 -0.460 0.793 591 HB2 LEU 73 HB2 LEU 73 6.742 2.475 0.362 592 HB3 LEU 73 HB3 LEU 73 5.704 1.355 1.236 593 HG LEU 73 HG LEU 73 8.569 1.972 2.069 594 HD11 LEU 73 HD11 LEU 73 7.236 4.025 2.240 595 HD12 LEU 73 HD12 LEU 73 7.694 3.412 3.826 596 HD13 LEU 73 HD13 LEU 73 6.048 3.177 3.234 597 HD21 LEU 73 HD21 LEU 73 6.337 0.579 3.590 598 HD22 LEU 73 HD22 LEU 73 7.952 0.931 4.207 599 HD23 LEU 73 HD23 LEU 73 7.752 -0.202 2.875 600 H LEU 74 H LEU 74 7.135 1.520 -2.166 601 HA LEU 74 HA LEU 74 4.838 0.334 -3.315 602 HB2 LEU 74 HB2 LEU 74 6.076 2.425 -4.080 603 HB3 LEU 74 HB3 LEU 74 7.286 1.393 -4.807 604 HG LEU 74 HG LEU 74 4.356 1.320 -5.665 605 HD11 LEU 74 HD11 LEU 74 4.941 2.807 -7.548 606 HD12 LEU 74 HD12 LEU 74 6.550 3.046 -6.859 607 HD13 LEU 74 HD13 LEU 74 5.119 3.607 -5.987 608 HD21 LEU 74 HD21 LEU 74 5.218 0.389 -7.779 609 HD22 LEU 74 HD22 LEU 74 5.637 -0.628 -6.405 610 HD23 LEU 74 HD23 LEU 74 6.861 0.417 -7.129 611 H GLU 75 H GLU 75 8.253 -0.529 -3.472 612 HA GLU 75 HA GLU 75 8.161 -2.786 -5.151 613 HB2 GLU 75 HB2 GLU 75 10.216 -1.562 -4.630 614 HB3 GLU 75 HB3 GLU 75 10.075 -1.982 -2.928 615 HG2 GLU 75 HG2 GLU 75 10.406 -4.379 -3.547 616 HG3 GLU 75 HG3 GLU 75 10.681 -3.874 -5.216 617 H GLU 76 H GLU 76 7.795 -2.440 -1.635 618 HA GLU 76 HA GLU 76 7.846 -5.176 -0.917 619 HB2 GLU 76 HB2 GLU 76 8.164 -3.191 0.637 620 HB3 GLU 76 HB3 GLU 76 6.430 -2.925 0.568 621 HG2 GLU 76 HG2 GLU 76 6.858 -4.073 2.600 622 HG3 GLU 76 HG3 GLU 76 6.119 -5.247 1.518 623 H ILE 77 H ILE 77 5.196 -3.037 -1.918 624 HA ILE 77 HA ILE 77 2.936 -4.610 -1.407 625 HB ILE 77 HB ILE 77 3.412 -2.801 -3.829 626 HG12 ILE 77 HG12 ILE 77 2.070 -2.086 -1.183 627 HG13 ILE 77 HG13 ILE 77 3.738 -1.697 -1.579 628 HG21 ILE 77 HG21 ILE 77 1.448 -4.231 -4.186 629 HG22 ILE 77 HG22 ILE 77 0.941 -2.564 -3.923 630 HG23 ILE 77 HG23 ILE 77 0.781 -3.750 -2.625 631 HD11 ILE 77 HD11 ILE 77 2.978 -0.309 -3.438 632 HD12 ILE 77 HD12 ILE 77 2.300 0.207 -1.895 633 HD13 ILE 77 HD13 ILE 77 1.301 -0.694 -3.034 634 H GLU 78 H GLU 78 5.098 -4.629 -4.256 635 HA GLU 78 HA GLU 78 3.866 -6.620 -5.807 636 HB2 GLU 78 HB2 GLU 78 5.627 -5.244 -6.744 637 HB3 GLU 78 HB3 GLU 78 6.793 -5.820 -5.558 638 HG2 GLU 78 HG2 GLU 78 6.663 -8.098 -6.564 639 HG3 GLU 78 HG3 GLU 78 5.543 -7.481 -7.777 640 H LYS 79 H LYS 79 6.232 -6.914 -3.171 641 HA LYS 79 HA LYS 79 6.827 -9.674 -3.502 642 HB2 LYS 79 HB2 LYS 79 7.073 -8.144 -0.879 643 HB3 LYS 79 HB3 LYS 79 8.005 -9.544 -1.395 644 HG2 LYS 79 HG2 LYS 79 8.196 -6.711 -2.445 645 HG3 LYS 79 HG3 LYS 79 9.408 -7.595 -1.517 646 HD2 LYS 79 HD2 LYS 79 9.780 -9.120 -3.420 647 HD3 LYS 79 HD3 LYS 79 8.509 -8.308 -4.342 648 HE2 LYS 79 HE2 LYS 79 9.853 -6.188 -4.208 649 HE3 LYS 79 HE3 LYS 79 11.153 -7.111 -3.448 650 HZ1 LYS 79 HZ1 LYS 79 10.034 -7.598 -6.157 651 HZ2 LYS 79 HZ2 LYS 79 11.289 -8.474 -5.440 652 HZ3 LYS 79 HZ3 LYS 79 11.510 -6.839 -5.826 653 H LEU 80 H LEU 80 4.470 -7.961 -1.479 654 HA LEU 80 HA LEU 80 3.434 -10.319 -0.185 655 HB2 LEU 80 HB2 LEU 80 2.645 -7.409 -0.194 656 HB3 LEU 80 HB3 LEU 80 1.524 -8.592 0.451 657 HG LEU 80 HG LEU 80 2.831 -7.544 2.253 658 HD11 LEU 80 HD11 LEU 80 3.610 -9.563 3.405 659 HD12 LEU 80 HD12 LEU 80 3.556 -10.468 1.890 660 HD13 LEU 80 HD13 LEU 80 2.067 -9.835 2.599 661 HD21 LEU 80 HD21 LEU 80 5.247 -7.899 2.492 662 HD22 LEU 80 HD22 LEU 80 4.881 -6.998 1.027 663 HD23 LEU 80 HD23 LEU 80 5.301 -8.709 0.924 664 H LEU 81 H LEU 81 2.525 -8.493 -3.072 665 HA LEU 81 HA LEU 81 0.020 -9.735 -3.609 666 HB2 LEU 81 HB2 LEU 81 0.855 -7.675 -4.754 667 HB3 LEU 81 HB3 LEU 81 2.077 -8.631 -5.567 668 HG LEU 81 HG LEU 81 0.270 -9.883 -6.773 669 HD11 LEU 81 HD11 LEU 81 -2.047 -9.058 -6.754 670 HD12 LEU 81 HD12 LEU 81 -1.637 -7.906 -5.480 671 HD13 LEU 81 HD13 LEU 81 -1.557 -9.641 -5.164 672 HD21 LEU 81 HD21 LEU 81 1.339 -7.957 -7.863 673 HD22 LEU 81 HD22 LEU 81 0.146 -6.869 -7.151 674 HD23 LEU 81 HD23 LEU 81 -0.356 -8.082 -8.330 675 H LYS 82 H LYS 82 3.331 -10.511 -4.547 676 HA LYS 82 HA LYS 82 2.751 -12.881 -6.047 677 HB2 LYS 82 HB2 LYS 82 4.716 -11.409 -6.441 678 HB3 LYS 82 HB3 LYS 82 5.378 -11.883 -4.880 679 HG2 LYS 82 HG2 LYS 82 5.616 -14.195 -5.655 680 HG3 LYS 82 HG3 LYS 82 4.872 -13.776 -7.202 681 HD2 LYS 82 HD2 LYS 82 6.752 -12.300 -7.751 682 HD3 LYS 82 HD3 LYS 82 7.474 -12.574 -6.162 683 HE2 LYS 82 HE2 LYS 82 7.048 -14.699 -8.287 684 HE3 LYS 82 HE3 LYS 82 8.583 -13.904 -7.929 685 HZ1 LYS 82 HZ1 LYS 82 8.495 -16.020 -6.841 686 HZ2 LYS 82 HZ2 LYS 82 7.030 -15.642 -6.087 687 HZ3 LYS 82 HZ3 LYS 82 8.439 -14.807 -5.664 688 H LYS 83 H LYS 83 3.684 -12.236 -2.694 689 HA LYS 83 HA LYS 83 4.023 -14.951 -1.865 690 HB2 LYS 83 HB2 LYS 83 4.903 -12.915 -0.642 691 HB3 LYS 83 HB3 LYS 83 3.258 -12.554 -0.144 692 HG2 LYS 83 HG2 LYS 83 4.465 -13.627 1.676 693 HG3 LYS 83 HG3 LYS 83 3.174 -14.690 1.109 694 HD2 LYS 83 HD2 LYS 83 4.803 -16.039 -0.155 695 HD3 LYS 83 HD3 LYS 83 6.103 -14.939 0.315 696 HE2 LYS 83 HE2 LYS 83 4.479 -16.665 2.216 697 HE3 LYS 83 HE3 LYS 83 6.119 -17.006 1.665 698 HZ1 LYS 83 HZ1 LYS 83 6.105 -15.996 3.853 699 HZ2 LYS 83 HZ2 LYS 83 5.297 -14.635 3.254 700 HZ3 LYS 83 HZ3 LYS 83 6.868 -14.982 2.734 701 H ALA 84 H ALA 84 1.234 -12.766 -2.016 702 HA ALA 84 HA ALA 84 -0.673 -14.460 -0.730 703 HB1 ALA 84 HB1 ALA 84 -1.136 -12.198 -2.703 704 HB2 ALA 84 HB2 ALA 84 -1.033 -12.037 -0.949 705 HB3 ALA 84 HB3 ALA 84 -2.368 -12.937 -1.675 706 H GLY 85 H GLY 85 0.337 -14.019 -4.091 707 HA2 GLY 85 HA2 GLY 85 -0.430 -16.630 -4.911 708 HA3 GLY 85 HA3 GLY 85 -1.632 -15.462 -5.448 709 H SER 86 H SER 86 -1.218 -14.252 -7.244 710 HA SER 86 HA SER 86 -0.403 -13.792 -9.299 711 HB2 SER 86 HB2 SER 86 2.281 -13.676 -7.857 712 HB3 SER 86 HB3 SER 86 1.956 -13.010 -9.461 713 HG SER 86 HG SER 86 1.086 -12.121 -6.944 714 H LEU 87 H LEU 87 1.747 -14.450 -10.827 715 HA LEU 87 HA LEU 87 2.689 -16.007 -12.168 716 HB2 LEU 87 HB2 LEU 87 2.573 -17.853 -9.755 717 HB3 LEU 87 HB3 LEU 87 3.552 -18.114 -11.188 718 HG LEU 87 HG LEU 87 3.930 -15.869 -9.160 719 HD11 LEU 87 HD11 LEU 87 6.027 -16.997 -8.557 720 HD12 LEU 87 HD12 LEU 87 5.654 -18.311 -9.676 721 HD13 LEU 87 HD13 LEU 87 4.633 -18.037 -8.263 722 HD21 LEU 87 HD21 LEU 87 4.547 -15.084 -11.394 723 HD22 LEU 87 HD22 LEU 87 5.568 -16.503 -11.641 724 HD23 LEU 87 HD23 LEU 87 5.991 -15.311 -10.410 725 H VAL 88 H VAL 88 -0.418 -16.094 -11.503 726 HA VAL 88 HA VAL 88 -1.216 -18.796 -12.138 727 HB VAL 88 HB VAL 88 -3.548 -17.967 -12.080 728 HG11 VAL 88 HG11 VAL 88 -3.637 -17.249 -9.722 729 HG12 VAL 88 HG12 VAL 88 -1.902 -16.921 -9.749 730 HG13 VAL 88 HG13 VAL 88 -2.493 -18.572 -9.955 731 HG21 VAL 88 HG21 VAL 88 -2.371 -15.180 -11.703 732 HG22 VAL 88 HG22 VAL 88 -4.080 -15.601 -11.555 733 HG23 VAL 88 HG23 VAL 88 -3.269 -15.750 -13.113 734 HA PRO 89 HA PRO 89 -1.370 -18.271 -16.640 735 HB2 PRO 89 HB2 PRO 89 -2.884 -20.423 -17.330 736 HB3 PRO 89 HB3 PRO 89 -1.236 -20.597 -16.712 737 HG2 PRO 89 HG2 PRO 89 -3.855 -20.889 -15.236 738 HG3 PRO 89 HG3 PRO 89 -2.427 -21.950 -15.201 739 HD2 PRO 89 HD2 PRO 89 -2.928 -20.081 -13.264 740 HD3 PRO 89 HD3 PRO 89 -1.279 -20.565 -13.720 741 H ARG 90 H ARG 90 -2.735 -16.252 -15.911 742 HA ARG 90 HA ARG 90 -5.586 -16.377 -16.510 743 HB2 ARG 90 HB2 ARG 90 -4.655 -14.879 -14.712 744 HB3 ARG 90 HB3 ARG 90 -3.846 -13.929 -15.951 745 HG2 ARG 90 HG2 ARG 90 -5.997 -13.243 -16.891 746 HG3 ARG 90 HG3 ARG 90 -6.859 -14.295 -15.765 747 HD2 ARG 90 HD2 ARG 90 -5.917 -12.925 -13.867 748 HD3 ARG 90 HD3 ARG 90 -5.226 -11.827 -15.063 749 HE ARG 90 HE ARG 90 -7.378 -11.070 -15.613 750 HH11 ARG 90 HH11 ARG 90 -7.564 -13.437 -13.082 751 HH12 ARG 90 HH12 ARG 90 -9.157 -12.960 -12.615 752 HH21 ARG 90 HH21 ARG 90 -9.426 -10.485 -14.977 753 HH22 ARG 90 HH22 ARG 90 -10.190 -11.321 -13.670 754 H GLY 91 H GLY 91 -6.233 -16.469 -18.587 755 HA2 GLY 91 HA2 GLY 91 -4.613 -15.676 -20.841 756 HA3 GLY 91 HA3 GLY 91 -6.257 -16.284 -20.890 757 H SER 92 H SER 92 -4.389 -13.372 -20.070 758 HA SER 92 HA SER 92 -6.695 -11.616 -20.678 759 HB2 SER 92 HB2 SER 92 -5.434 -9.876 -19.444 760 HB3 SER 92 HB3 SER 92 -5.631 -11.327 -18.460 761 HG SER 92 HG SER 92 -3.377 -10.102 -19.163 762 H TYR 93 H TYR 93 -3.673 -12.633 -21.986 763 HA TYR 93 HA TYR 93 -3.152 -10.288 -23.621 764 HB2 TYR 93 HB2 TYR 93 -1.912 -13.075 -23.727 765 HB3 TYR 93 HB3 TYR 93 -1.320 -11.665 -24.600 766 HD1 TYR 93 HD2 TYR 93 -1.648 -13.205 -21.226 767 HD2 TYR 93 HD1 TYR 93 0.010 -9.948 -23.450 768 HE1 TYR 93 HE2 TYR 93 -0.235 -12.610 -19.308 769 HE2 TYR 93 HE1 TYR 93 1.421 -9.358 -21.524 770 HH TYR 93 HH TYR 93 1.431 -9.669 -19.066 771 H LEU 94 H LEU 94 -3.627 -10.030 -25.791 772 HA LEU 94 HA LEU 94 -5.853 -11.505 -26.850 773 HB2 LEU 94 HB2 LEU 94 -4.221 -9.234 -28.037 774 HB3 LEU 94 HB3 LEU 94 -5.590 -9.962 -28.853 775 HG LEU 94 HG LEU 94 -7.045 -9.240 -26.889 776 HD11 LEU 94 HD11 LEU 94 -5.318 -8.909 -25.187 777 HD12 LEU 94 HD12 LEU 94 -6.259 -7.439 -25.423 778 HD13 LEU 94 HD13 LEU 94 -4.637 -7.567 -26.111 779 HD21 LEU 94 HD21 LEU 94 -5.695 -7.030 -28.476 780 HD22 LEU 94 HD22 LEU 94 -7.261 -6.915 -27.664 781 HD23 LEU 94 HD23 LEU 94 -7.051 -8.024 -29.017 782 H GLU 95 H GLU 95 -2.534 -10.928 -28.103 783 HA GLU 95 HA GLU 95 -2.647 -13.509 -29.556 784 HB2 GLU 95 HB2 GLU 95 -1.691 -10.849 -30.689 785 HB3 GLU 95 HB3 GLU 95 -1.382 -12.402 -31.464 786 HG2 GLU 95 HG2 GLU 95 -3.801 -12.768 -31.725 787 HG3 GLU 95 HG3 GLU 95 -4.133 -11.234 -30.925 788 H HIS 96 H HIS 96 -0.928 -14.781 -29.320 789 HA HIS 96 HA HIS 96 1.784 -13.755 -29.123 790 HB2 HIS 96 HB2 HIS 96 0.980 -13.951 -26.711 791 HB3 HIS 96 HB3 HIS 96 0.760 -15.675 -26.971 792 HD1 HIS 96 HD1 HIS 96 2.855 -17.154 -26.799 793 HD2 HIS 96 HD2 HIS 96 3.744 -13.097 -26.652 794 HE1 HIS 96 HE1 HIS 96 5.273 -17.014 -26.156 795 HE2 HIS 96 HE2 HIS 96 5.796 -14.556 -26.109 796 H HIS 97 H HIS 97 0.137 -15.166 -31.066 797 HA HIS 97 HA HIS 97 0.912 -17.925 -31.208 798 HB2 HIS 97 HB2 HIS 97 -0.061 -17.858 -33.514 799 HB3 HIS 97 HB3 HIS 97 -1.159 -17.272 -32.275 800 HD1 HIS 97 HD1 HIS 97 0.775 -16.153 -35.274 801 HD2 HIS 97 HD2 HIS 97 -1.855 -14.524 -32.506 802 HE1 HIS 97 HE1 HIS 97 0.098 -13.944 -36.219 803 HE2 HIS 97 HE2 HIS 97 -1.620 -13.063 -34.612 804 H HIS 98 H HIS 98 3.038 -18.337 -31.280 805 HA HIS 98 HA HIS 98 4.683 -17.205 -33.487 806 HB2 HIS 98 HB2 HIS 98 5.531 -17.705 -30.600 807 HB3 HIS 98 HB3 HIS 98 6.678 -17.450 -31.911 808 HD1 HIS 98 HD1 HIS 98 6.916 -15.066 -32.834 809 HD2 HIS 98 HD2 HIS 98 4.171 -15.365 -29.733 810 HE1 HIS 98 HE1 HIS 98 6.402 -12.710 -32.169 811 HE2 HIS 98 HE2 HIS 98 4.587 -12.917 -30.440 812 H HIS 99 H HIS 99 4.765 -18.817 -34.897 813 HA HIS 99 HA HIS 99 6.193 -21.269 -34.186 814 HB2 HIS 99 HB2 HIS 99 3.804 -21.942 -33.994 815 HB3 HIS 99 HB3 HIS 99 3.494 -21.349 -35.622 816 HD1 HIS 99 HD1 HIS 99 3.913 -22.981 -37.524 817 HD2 HIS 99 HD2 HIS 99 5.531 -24.285 -33.926 818 HE1 HIS 99 HE1 HIS 99 4.728 -25.309 -37.958 819 HE2 HIS 99 HE2 HIS 99 5.889 -25.982 -35.835 820 H HIS 100 H HIS 100 7.939 -20.542 -35.378 821 HA HIS 100 HA HIS 100 7.589 -19.923 -38.256 822 HB2 HIS 100 HB2 HIS 100 8.835 -18.290 -36.815 823 HB3 HIS 100 HB3 HIS 100 10.039 -19.527 -36.479 824 HD1 HIS 100 HD1 HIS 100 8.789 -17.299 -39.254 825 HD2 HIS 100 HD2 HIS 100 11.968 -19.869 -38.495 826 HE1 HIS 100 HE1 HIS 100 10.423 -16.923 -41.122 827 HE2 HIS 100 HE2 HIS 100 12.405 -18.348 -40.534 828 H HIS 101 H HIS 101 9.051 -22.242 -36.042 829 HA HIS 101 HA HIS 101 9.487 -24.162 -38.193 830 HB2 HIS 101 HB2 HIS 101 11.894 -24.587 -37.513 831 HB3 HIS 101 HB3 HIS 101 11.634 -23.031 -38.285 832 HD1 HIS 101 HD1 HIS 101 12.388 -24.555 -34.918 833 HD2 HIS 101 HD2 HIS 101 12.315 -20.817 -36.727 834 HE1 HIS 101 HE1 HIS 101 13.477 -22.998 -33.282 835 HE2 HIS 101 HE2 HIS 101 13.629 -20.805 -34.502
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