NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
492554 | 2kij | 16277 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 17.596 -6.356 13.529 2 HA SER 1 HA SER 1 15.445 -5.020 15.079 3 HB2 SER 1 HB2 SER 1 17.128 -4.342 16.654 4 HB3 SER 1 HB3 SER 1 17.279 -6.072 16.317 5 HG SER 1 HG SER 1 19.068 -5.694 15.090 6 H GLU 2 H GLU 2 17.805 -4.083 12.638 7 HA GLU 2 HA GLU 2 17.157 -1.202 12.890 8 HB2 GLU 2 HB2 GLU 2 18.758 -2.783 10.836 9 HB3 GLU 2 HB3 GLU 2 18.518 -1.030 10.801 10 HG2 GLU 2 HG2 GLU 2 19.623 -0.803 12.992 11 HG3 GLU 2 HG3 GLU 2 19.837 -2.552 13.086 12 H ALA 3 H ALA 3 16.288 -3.962 10.862 13 HA ALA 3 HA ALA 3 14.622 -2.605 8.976 14 HB1 ALA 3 HB1 ALA 3 14.291 -5.451 10.006 15 HB2 ALA 3 HB2 ALA 3 13.684 -4.788 8.482 16 HB3 ALA 3 HB3 ALA 3 15.432 -4.956 8.729 17 H LEU 4 H LEU 4 13.723 -4.169 12.077 18 HA LEU 4 HA LEU 4 11.095 -3.619 12.317 19 HB2 LEU 4 HB2 LEU 4 12.512 -4.831 13.918 20 HB3 LEU 4 HB3 LEU 4 13.258 -3.327 14.437 21 HG LEU 4 HG LEU 4 11.165 -2.573 15.456 22 HD11 LEU 4 HD11 LEU 4 10.125 -5.270 14.511 23 HD12 LEU 4 HD12 LEU 4 9.284 -4.192 15.657 24 HD13 LEU 4 HD13 LEU 4 9.566 -3.661 13.994 25 HD21 LEU 4 HD21 LEU 4 12.725 -3.938 16.794 26 HD22 LEU 4 HD22 LEU 4 11.041 -4.268 17.242 27 HD23 LEU 4 HD23 LEU 4 11.928 -5.424 16.223 28 H ALA 5 H ALA 5 13.526 -1.059 12.491 29 HA ALA 5 HA ALA 5 11.516 0.992 13.280 30 HB1 ALA 5 HB1 ALA 5 14.517 1.171 12.706 31 HB2 ALA 5 HB2 ALA 5 13.471 2.527 13.170 32 HB3 ALA 5 HB3 ALA 5 13.747 1.192 14.310 33 H LYS 6 H LYS 6 13.555 -0.003 10.478 34 HA LYS 6 HA LYS 6 12.825 2.131 8.767 35 HB2 LYS 6 HB2 LYS 6 14.792 0.666 8.533 36 HB3 LYS 6 HB3 LYS 6 13.749 -0.705 8.148 37 HG2 LYS 6 HG2 LYS 6 13.106 0.205 6.067 38 HG3 LYS 6 HG3 LYS 6 13.650 1.838 6.496 39 HD2 LYS 6 HD2 LYS 6 15.134 0.763 4.866 40 HD3 LYS 6 HD3 LYS 6 15.971 1.162 6.378 41 HE2 LYS 6 HE2 LYS 6 15.932 -1.135 7.108 42 HE3 LYS 6 HE3 LYS 6 14.890 -1.611 5.749 43 HZ1 LYS 6 HZ1 LYS 6 16.638 -1.110 4.238 44 HZ2 LYS 6 HZ2 LYS 6 17.611 -0.496 5.417 45 HZ3 LYS 6 HZ3 LYS 6 17.243 -2.124 5.403 46 H LEU 7 H LEU 7 11.214 -0.976 9.309 47 HA LEU 7 HA LEU 7 9.405 -1.188 7.251 48 HB2 LEU 7 HB2 LEU 7 9.418 -1.899 10.154 49 HB3 LEU 7 HB3 LEU 7 7.814 -1.654 9.535 50 HG LEU 7 HG LEU 7 8.463 -3.995 9.492 51 HD11 LEU 7 HD11 LEU 7 7.717 -4.515 7.221 52 HD12 LEU 7 HD12 LEU 7 6.784 -3.185 7.923 53 HD13 LEU 7 HD13 LEU 7 8.039 -2.846 6.709 54 HD21 LEU 7 HD21 LEU 7 10.019 -4.866 7.783 55 HD22 LEU 7 HD22 LEU 7 10.535 -3.210 7.407 56 HD23 LEU 7 HD23 LEU 7 10.830 -3.904 9.018 57 H ILE 8 H ILE 8 8.929 0.965 10.070 58 HA ILE 8 HA ILE 8 6.440 2.038 9.026 59 HB ILE 8 HB ILE 8 8.187 2.796 11.375 60 HG12 ILE 8 HG12 ILE 8 7.206 0.613 11.639 61 HG13 ILE 8 HG13 ILE 8 6.391 1.743 12.709 62 HG21 ILE 8 HG21 ILE 8 5.456 3.884 10.569 63 HG22 ILE 8 HG22 ILE 8 6.158 4.032 12.186 64 HG23 ILE 8 HG23 ILE 8 6.960 4.798 10.813 65 HD11 ILE 8 HD11 ILE 8 4.513 1.862 10.957 66 HD12 ILE 8 HD12 ILE 8 5.342 0.533 10.121 67 HD13 ILE 8 HD13 ILE 8 4.738 0.291 11.766 68 H SER 9 H SER 9 9.793 3.000 8.655 69 HA SER 9 HA SER 9 9.260 5.771 7.949 70 HB2 SER 9 HB2 SER 9 11.662 3.961 7.477 71 HB3 SER 9 HB3 SER 9 11.601 5.674 7.039 72 HG SER 9 HG SER 9 12.429 4.880 9.258 73 H LEU 10 H LEU 10 9.323 2.712 6.182 74 HA LEU 10 HA LEU 10 9.375 3.701 3.519 75 HB2 LEU 10 HB2 LEU 10 8.518 1.142 4.863 76 HB3 LEU 10 HB3 LEU 10 7.929 1.446 3.249 77 HG LEU 10 HG LEU 10 10.297 1.794 2.458 78 HD11 LEU 10 HD11 LEU 10 10.916 0.476 5.128 79 HD12 LEU 10 HD12 LEU 10 12.077 0.775 3.810 80 HD13 LEU 10 HD13 LEU 10 11.370 2.142 4.686 81 HD21 LEU 10 HD21 LEU 10 9.020 -0.280 2.078 82 HD22 LEU 10 HD22 LEU 10 10.725 -0.647 2.382 83 HD23 LEU 10 HD23 LEU 10 9.515 -0.890 3.671 84 H GLN 11 H GLN 11 6.709 4.056 5.733 85 HA GLN 11 HA GLN 11 4.599 3.873 3.799 86 HB2 GLN 11 HB2 GLN 11 4.705 5.408 6.428 87 HB3 GLN 11 HB3 GLN 11 3.280 5.324 5.380 88 HG2 GLN 11 HG2 GLN 11 3.336 2.844 5.597 89 HG3 GLN 11 HG3 GLN 11 4.741 2.994 6.676 90 HE21 GLN 11 HE22 GLN 11 1.232 3.634 6.373 91 HE22 GLN 11 HE21 GLN 11 1.044 3.873 8.120 92 H ALA 12 H ALA 12 3.953 5.091 2.176 93 HA ALA 12 HA ALA 12 5.197 7.561 1.396 94 HB1 ALA 12 HB1 ALA 12 2.668 6.178 0.410 95 HB2 ALA 12 HB2 ALA 12 3.544 7.452 -0.431 96 HB3 ALA 12 HB3 ALA 12 4.317 5.885 -0.176 97 H THR 13 H THR 13 4.035 9.656 1.039 98 HA THR 13 HA THR 13 2.694 10.373 3.588 99 HB THR 13 HB THR 13 3.353 12.734 2.809 100 HG1 THR 13 HG1 THR 13 4.011 12.666 0.802 101 HG21 THR 13 HG21 THR 13 5.682 12.398 3.536 102 HG22 THR 13 HG22 THR 13 4.568 11.458 4.544 103 HG23 THR 13 HG23 THR 13 5.521 10.642 3.283 104 H GLU 14 H GLU 14 1.850 10.355 0.215 105 HA GLU 14 HA GLU 14 -0.765 11.598 0.944 106 HB2 GLU 14 HB2 GLU 14 -0.827 12.921 -1.078 107 HB3 GLU 14 HB3 GLU 14 0.580 13.322 -0.094 108 HG2 GLU 14 HG2 GLU 14 1.990 11.917 -1.622 109 HG3 GLU 14 HG3 GLU 14 0.554 11.589 -2.600 110 H ALA 15 H ALA 15 -2.573 11.215 -0.539 111 HA ALA 15 HA ALA 15 -2.428 8.718 -2.120 112 HB1 ALA 15 HB1 ALA 15 -4.328 9.184 0.224 113 HB2 ALA 15 HB2 ALA 15 -4.365 7.794 -0.880 114 HB3 ALA 15 HB3 ALA 15 -2.974 8.032 0.200 115 H THR 16 H THR 16 -4.025 8.578 -3.702 116 HA THR 16 HA THR 16 -5.562 11.076 -4.299 117 HB THR 16 HB THR 16 -5.307 8.625 -6.054 118 HG1 THR 16 HG1 THR 16 -3.881 9.972 -7.201 119 HG21 THR 16 HG21 THR 16 -5.977 10.200 -7.853 120 HG22 THR 16 HG22 THR 16 -7.241 10.091 -6.633 121 HG23 THR 16 HG23 THR 16 -6.160 11.500 -6.653 122 H ILE 17 H ILE 17 -7.557 11.278 -3.434 123 HA ILE 17 HA ILE 17 -9.382 8.957 -3.100 124 HB ILE 17 HB ILE 17 -9.742 11.926 -2.480 125 HG12 ILE 17 HG12 ILE 17 -9.156 9.537 -0.699 126 HG13 ILE 17 HG13 ILE 17 -8.099 10.911 -0.991 127 HG21 ILE 17 HG21 ILE 17 -11.913 10.837 -3.011 128 HG22 ILE 17 HG22 ILE 17 -11.569 9.566 -1.809 129 HG23 ILE 17 HG23 ILE 17 -11.820 11.261 -1.329 130 HD11 ILE 17 HD11 ILE 17 -10.706 10.936 0.575 131 HD12 ILE 17 HD12 ILE 17 -9.075 11.113 1.203 132 HD13 ILE 17 HD13 ILE 17 -9.755 12.390 0.169 133 H VAL 18 H VAL 18 -11.010 8.563 -4.533 134 HA VAL 18 HA VAL 18 -11.588 10.671 -6.589 135 HB VAL 18 HB VAL 18 -11.595 7.728 -7.196 136 HG11 VAL 18 HG11 VAL 18 -13.228 8.979 -8.567 137 HG12 VAL 18 HG12 VAL 18 -11.952 10.137 -9.014 138 HG13 VAL 18 HG13 VAL 18 -11.845 8.443 -9.526 139 HG21 VAL 18 HG21 VAL 18 -9.329 8.355 -6.940 140 HG22 VAL 18 HG22 VAL 18 -9.648 8.406 -8.680 141 HG23 VAL 18 HG23 VAL 18 -9.579 9.911 -7.734 142 H THR 19 H THR 19 -13.461 11.380 -6.845 143 HA THR 19 HA THR 19 -15.766 10.290 -5.282 144 HB THR 19 HB THR 19 -14.931 13.172 -5.830 145 HG1 THR 19 HG1 THR 19 -14.446 13.239 -3.686 146 HG21 THR 19 HG21 THR 19 -16.694 13.706 -4.119 147 HG22 THR 19 HG22 THR 19 -17.357 13.069 -5.624 148 HG23 THR 19 HG23 THR 19 -17.233 12.017 -4.194 149 H LEU 20 H LEU 20 -17.649 9.978 -6.384 150 HA LEU 20 HA LEU 20 -17.931 11.035 -9.129 151 HB2 LEU 20 HB2 LEU 20 -19.603 8.896 -7.750 152 HB3 LEU 20 HB3 LEU 20 -19.564 9.344 -9.449 153 HG LEU 20 HG LEU 20 -16.939 8.700 -9.174 154 HD11 LEU 20 HD11 LEU 20 -16.696 6.687 -7.776 155 HD12 LEU 20 HD12 LEU 20 -17.111 8.046 -6.742 156 HD13 LEU 20 HD13 LEU 20 -18.356 6.864 -7.175 157 HD21 LEU 20 HD21 LEU 20 -18.470 7.724 -10.770 158 HD22 LEU 20 HD22 LEU 20 -17.517 6.450 -9.981 159 HD23 LEU 20 HD23 LEU 20 -19.207 6.730 -9.480 160 H ASP 21 H ASP 21 -19.759 12.275 -9.730 161 HA ASP 21 HA ASP 21 -21.329 13.451 -7.485 162 HB2 ASP 21 HB2 ASP 21 -18.930 14.531 -8.581 163 HB3 ASP 21 HB3 ASP 21 -20.196 15.441 -9.356 164 H SER 22 H SER 22 -21.799 12.091 -10.299 165 HA SER 22 HA SER 22 -24.259 13.673 -10.919 166 HB2 SER 22 HB2 SER 22 -22.182 12.873 -12.967 167 HB3 SER 22 HB3 SER 22 -23.869 13.156 -13.407 168 HG SER 22 HG SER 22 -22.474 15.051 -13.544 169 H ASP 23 H ASP 23 -22.502 10.873 -12.039 170 HA ASP 23 HA ASP 23 -24.159 8.924 -10.756 171 HB2 ASP 23 HB2 ASP 23 -25.164 9.626 -13.204 172 HB3 ASP 23 HB3 ASP 23 -23.962 8.457 -13.724 173 H ASN 24 H ASN 24 -23.117 6.677 -11.943 174 HA ASN 24 HA ASN 24 -20.306 6.561 -11.481 175 HB2 ASN 24 HB2 ASN 24 -21.691 4.601 -11.436 176 HB3 ASN 24 HB3 ASN 24 -22.235 4.848 -13.092 177 HD21 ASN 24 HD22 ASN 24 -19.413 3.792 -11.210 178 HD22 ASN 24 HD21 ASN 24 -19.011 2.785 -12.609 179 H ILE 25 H ILE 25 -21.927 8.009 -14.092 180 HA ILE 25 HA ILE 25 -19.982 7.826 -16.193 181 HB ILE 25 HB ILE 25 -21.286 9.537 -17.274 182 HG12 ILE 25 HG12 ILE 25 -22.510 10.071 -14.537 183 HG13 ILE 25 HG13 ILE 25 -21.600 11.177 -15.555 184 HG21 ILE 25 HG21 ILE 25 -22.167 7.196 -17.095 185 HG22 ILE 25 HG22 ILE 25 -23.210 7.723 -15.761 186 HG23 ILE 25 HG23 ILE 25 -23.414 8.419 -17.377 187 HD11 ILE 25 HD11 ILE 25 -23.458 11.121 -17.231 188 HD12 ILE 25 HD12 ILE 25 -24.407 10.148 -16.078 189 HD13 ILE 25 HD13 ILE 25 -23.909 11.787 -15.646 190 H LEU 26 H LEU 26 -20.003 9.824 -13.278 191 HA LEU 26 HA LEU 26 -17.917 11.604 -14.491 192 HB2 LEU 26 HB2 LEU 26 -19.962 12.770 -14.056 193 HB3 LEU 26 HB3 LEU 26 -19.992 12.218 -12.385 194 HG LEU 26 HG LEU 26 -17.435 13.582 -13.095 195 HD11 LEU 26 HD11 LEU 26 -20.021 15.181 -13.132 196 HD12 LEU 26 HD12 LEU 26 -18.371 15.838 -13.167 197 HD13 LEU 26 HD13 LEU 26 -18.964 14.879 -14.534 198 HD21 LEU 26 HD21 LEU 26 -18.062 13.039 -10.801 199 HD22 LEU 26 HD22 LEU 26 -17.883 14.786 -11.033 200 HD23 LEU 26 HD23 LEU 26 -19.510 14.072 -10.989 201 H LEU 27 H LEU 27 -16.094 11.602 -13.652 202 HA LEU 27 HA LEU 27 -15.533 10.616 -10.879 203 HB2 LEU 27 HB2 LEU 27 -13.915 9.694 -13.290 204 HB3 LEU 27 HB3 LEU 27 -13.443 9.524 -11.611 205 HG LEU 27 HG LEU 27 -15.751 8.253 -11.342 206 HD11 LEU 27 HD11 LEU 27 -16.286 6.879 -13.335 207 HD12 LEU 27 HD12 LEU 27 -16.593 8.575 -13.667 208 HD13 LEU 27 HD13 LEU 27 -15.126 7.811 -14.306 209 HD21 LEU 27 HD21 LEU 27 -13.329 7.037 -12.731 210 HD22 LEU 27 HD22 LEU 27 -13.539 7.259 -10.978 211 HD23 LEU 27 HD23 LEU 27 -14.586 6.138 -11.852 212 H SER 28 H SER 28 -14.372 11.919 -9.707 213 HA SER 28 HA SER 28 -12.588 13.977 -10.912 214 HB2 SER 28 HB2 SER 28 -14.966 14.784 -10.227 215 HB3 SER 28 HB3 SER 28 -14.441 14.490 -8.560 216 HG SER 28 HG SER 28 -13.559 16.324 -10.483 217 H GLU 29 H GLU 29 -10.703 14.334 -9.697 218 HA GLU 29 HA GLU 29 -10.255 12.370 -7.491 219 HB2 GLU 29 HB2 GLU 29 -8.167 13.477 -9.366 220 HB3 GLU 29 HB3 GLU 29 -8.071 12.078 -8.278 221 HG2 GLU 29 HG2 GLU 29 -9.754 10.890 -9.666 222 HG3 GLU 29 HG3 GLU 29 -9.829 12.260 -10.764 223 H GLU 30 H GLU 30 -9.027 12.926 -5.655 224 HA GLU 30 HA GLU 30 -7.895 15.687 -5.423 225 HB2 GLU 30 HB2 GLU 30 -9.111 14.328 -3.002 226 HB3 GLU 30 HB3 GLU 30 -8.575 15.986 -3.211 227 HG2 GLU 30 HG2 GLU 30 -10.568 16.131 -4.920 228 HG3 GLU 30 HG3 GLU 30 -11.108 14.640 -4.107 229 H GLN 31 H GLN 31 -5.702 15.573 -4.907 230 HA GLN 31 HA GLN 31 -4.667 13.091 -3.624 231 HB2 GLN 31 HB2 GLN 31 -3.218 15.537 -4.694 232 HB3 GLN 31 HB3 GLN 31 -2.439 14.196 -3.838 233 HG2 GLN 31 HG2 GLN 31 -3.331 12.613 -5.540 234 HG3 GLN 31 HG3 GLN 31 -3.832 14.010 -6.532 235 HE21 GLN 31 HE22 GLN 31 -1.344 11.952 -5.492 236 HE22 GLN 31 HE21 GLN 31 -0.250 13.192 -5.208 237 H VAL 32 H VAL 32 -4.405 12.945 -1.474 238 HA VAL 32 HA VAL 32 -4.542 15.405 0.208 239 HB VAL 32 HB VAL 32 -6.023 14.359 1.747 240 HG11 VAL 32 HG11 VAL 32 -7.227 13.954 -1.017 241 HG12 VAL 32 HG12 VAL 32 -8.082 14.277 0.501 242 HG13 VAL 32 HG13 VAL 32 -7.045 15.529 -0.203 243 HG21 VAL 32 HG21 VAL 32 -5.353 11.985 1.539 244 HG22 VAL 32 HG22 VAL 32 -7.093 12.195 1.398 245 HG23 VAL 32 HG23 VAL 32 -6.120 11.911 -0.062 246 H ASP 33 H ASP 33 -3.777 15.123 2.390 247 HA ASP 33 HA ASP 33 -1.324 13.525 2.567 248 HB2 ASP 33 HB2 ASP 33 -2.778 15.488 4.324 249 HB3 ASP 33 HB3 ASP 33 -1.719 14.333 5.116 250 H VAL 34 H VAL 34 -0.904 11.740 3.761 251 HA VAL 34 HA VAL 34 -2.747 9.701 3.851 252 HB VAL 34 HB VAL 34 -0.335 9.412 3.828 253 HG11 VAL 34 HG11 VAL 34 -0.364 9.964 6.827 254 HG12 VAL 34 HG12 VAL 34 1.018 9.406 5.863 255 HG13 VAL 34 HG13 VAL 34 0.351 11.016 5.580 256 HG21 VAL 34 HG21 VAL 34 -0.169 7.369 5.069 257 HG22 VAL 34 HG22 VAL 34 -1.516 7.822 6.129 258 HG23 VAL 34 HG23 VAL 34 -1.811 7.496 4.408 259 H GLU 35 H GLU 35 -2.426 12.035 6.421 260 HA GLU 35 HA GLU 35 -3.911 10.515 8.421 261 HB2 GLU 35 HB2 GLU 35 -2.997 13.320 8.175 262 HB3 GLU 35 HB3 GLU 35 -4.086 12.847 9.476 263 HG2 GLU 35 HG2 GLU 35 -2.456 11.066 10.151 264 HG3 GLU 35 HG3 GLU 35 -1.334 11.654 8.918 265 H LEU 36 H LEU 36 -4.945 12.172 5.567 266 HA LEU 36 HA LEU 36 -7.579 12.910 6.721 267 HB2 LEU 36 HB2 LEU 36 -6.332 13.696 4.076 268 HB3 LEU 36 HB3 LEU 36 -7.701 14.447 4.885 269 HG LEU 36 HG LEU 36 -4.781 14.529 5.789 270 HD11 LEU 36 HD11 LEU 36 -4.902 16.888 5.250 271 HD12 LEU 36 HD12 LEU 36 -5.352 15.920 3.835 272 HD13 LEU 36 HD13 LEU 36 -6.612 16.734 4.787 273 HD21 LEU 36 HD21 LEU 36 -6.275 14.573 7.776 274 HD22 LEU 36 HD22 LEU 36 -5.482 16.129 7.502 275 HD23 LEU 36 HD23 LEU 36 -7.184 15.912 7.041 276 H VAL 37 H VAL 37 -6.254 10.469 4.758 277 HA VAL 37 HA VAL 37 -8.783 9.821 3.358 278 HB VAL 37 HB VAL 37 -6.776 9.486 2.106 279 HG11 VAL 37 HG11 VAL 37 -5.063 7.809 2.683 280 HG12 VAL 37 HG12 VAL 37 -5.097 9.140 3.836 281 HG13 VAL 37 HG13 VAL 37 -5.817 7.574 4.273 282 HG21 VAL 37 HG21 VAL 37 -8.604 7.880 1.742 283 HG22 VAL 37 HG22 VAL 37 -7.008 7.178 1.415 284 HG23 VAL 37 HG23 VAL 37 -7.862 6.758 2.907 285 H GLN 38 H GLN 38 -10.120 8.085 3.864 286 HA GLN 38 HA GLN 38 -9.724 6.881 6.590 287 HB2 GLN 38 HB2 GLN 38 -12.283 7.712 5.171 288 HB3 GLN 38 HB3 GLN 38 -12.229 6.698 6.615 289 HG2 GLN 38 HG2 GLN 38 -10.965 8.558 7.782 290 HG3 GLN 38 HG3 GLN 38 -11.322 9.577 6.384 291 HE21 GLN 38 HE22 GLN 38 -13.850 9.622 5.901 292 HE22 GLN 38 HE21 GLN 38 -14.840 9.401 7.336 293 H ARG 39 H ARG 39 -10.646 4.858 6.986 294 HA ARG 39 HA ARG 39 -10.148 2.921 4.866 295 HB2 ARG 39 HB2 ARG 39 -10.381 1.220 6.517 296 HB3 ARG 39 HB3 ARG 39 -9.379 2.535 7.131 297 HG2 ARG 39 HG2 ARG 39 -11.461 3.392 8.331 298 HG3 ARG 39 HG3 ARG 39 -12.279 1.903 7.851 299 HD2 ARG 39 HD2 ARG 39 -10.503 0.581 8.996 300 HD3 ARG 39 HD3 ARG 39 -9.724 2.122 9.443 301 HE ARG 39 HE ARG 39 -12.497 2.002 10.316 302 HH11 ARG 39 HH11 ARG 39 -9.321 0.723 11.419 303 HH12 ARG 39 HH12 ARG 39 -9.860 0.830 13.051 304 HH21 ARG 39 HH21 ARG 39 -13.005 2.023 12.341 305 HH22 ARG 39 HH22 ARG 39 -11.837 1.578 13.587 306 H GLY 40 H GLY 40 -12.253 4.556 4.317 307 HA2 GLY 40 HA2 GLY 40 -14.219 2.534 3.366 308 HA3 GLY 40 HA3 GLY 40 -14.801 4.091 3.970 309 H ASP 41 H ASP 41 -11.850 4.753 2.489 310 HA ASP 41 HA ASP 41 -13.142 5.738 0.020 311 HB2 ASP 41 HB2 ASP 41 -10.383 6.211 1.202 312 HB3 ASP 41 HB3 ASP 41 -10.995 6.952 -0.272 313 H ILE 42 H ILE 42 -11.997 5.519 -2.059 314 HA ILE 42 HA ILE 42 -10.424 3.010 -2.407 315 HB ILE 42 HB ILE 42 -12.518 4.066 -4.341 316 HG12 ILE 42 HG12 ILE 42 -12.461 1.530 -2.638 317 HG13 ILE 42 HG13 ILE 42 -13.505 2.916 -2.377 318 HG21 ILE 42 HG21 ILE 42 -10.701 1.609 -4.534 319 HG22 ILE 42 HG22 ILE 42 -11.943 2.091 -5.713 320 HG23 ILE 42 HG23 ILE 42 -10.529 3.094 -5.497 321 HD11 ILE 42 HD11 ILE 42 -14.824 1.236 -3.419 322 HD12 ILE 42 HD12 ILE 42 -14.558 2.506 -4.628 323 HD13 ILE 42 HD13 ILE 42 -13.645 0.980 -4.709 324 H ILE 43 H ILE 43 -8.488 3.336 -3.267 325 HA ILE 43 HA ILE 43 -7.801 6.060 -4.178 326 HB ILE 43 HB ILE 43 -6.244 3.963 -2.627 327 HG12 ILE 43 HG12 ILE 43 -7.986 4.798 -1.188 328 HG13 ILE 43 HG13 ILE 43 -6.442 5.420 -0.660 329 HG21 ILE 43 HG21 ILE 43 -4.653 5.311 -3.826 330 HG22 ILE 43 HG22 ILE 43 -5.441 6.810 -3.299 331 HG23 ILE 43 HG23 ILE 43 -4.608 5.764 -2.128 332 HD11 ILE 43 HD11 ILE 43 -8.264 7.101 -0.538 333 HD12 ILE 43 HD12 ILE 43 -6.952 7.635 -1.605 334 HD13 ILE 43 HD13 ILE 43 -8.480 7.017 -2.277 335 H LYS 44 H LYS 44 -6.783 6.432 -5.998 336 HA LYS 44 HA LYS 44 -5.900 4.378 -7.832 337 HB2 LYS 44 HB2 LYS 44 -5.040 7.301 -7.857 338 HB3 LYS 44 HB3 LYS 44 -5.049 6.198 -9.216 339 HG2 LYS 44 HG2 LYS 44 -7.478 7.236 -7.753 340 HG3 LYS 44 HG3 LYS 44 -6.833 7.916 -9.239 341 HD2 LYS 44 HD2 LYS 44 -7.968 5.145 -8.882 342 HD3 LYS 44 HD3 LYS 44 -8.817 6.480 -9.639 343 HE2 LYS 44 HE2 LYS 44 -6.343 5.045 -10.670 344 HE3 LYS 44 HE3 LYS 44 -7.974 4.935 -11.317 345 HZ1 LYS 44 HZ1 LYS 44 -6.717 6.429 -12.659 346 HZ2 LYS 44 HZ2 LYS 44 -7.876 7.289 -11.875 347 HZ3 LYS 44 HZ3 LYS 44 -6.308 7.406 -11.388 348 H VAL 45 H VAL 45 -3.930 3.485 -8.165 349 HA VAL 45 HA VAL 45 -1.548 4.988 -7.226 350 HB VAL 45 HB VAL 45 -2.028 2.926 -5.911 351 HG11 VAL 45 HG11 VAL 45 -1.144 1.447 -8.420 352 HG12 VAL 45 HG12 VAL 45 -1.461 0.756 -6.824 353 HG13 VAL 45 HG13 VAL 45 -2.788 1.481 -7.740 354 HG21 VAL 45 HG21 VAL 45 0.214 3.966 -5.996 355 HG22 VAL 45 HG22 VAL 45 0.328 2.205 -5.867 356 HG23 VAL 45 HG23 VAL 45 0.624 2.997 -7.427 357 H VAL 46 H VAL 46 -0.001 5.446 -8.611 358 HA VAL 46 HA VAL 46 -0.560 4.913 -11.475 359 HB VAL 46 HB VAL 46 0.559 6.987 -11.913 360 HG11 VAL 46 HG11 VAL 46 -1.152 7.361 -9.444 361 HG12 VAL 46 HG12 VAL 46 -0.819 8.540 -10.716 362 HG13 VAL 46 HG13 VAL 46 -1.755 7.090 -11.093 363 HG21 VAL 46 HG21 VAL 46 2.492 6.890 -10.487 364 HG22 VAL 46 HG22 VAL 46 1.594 8.374 -10.173 365 HG23 VAL 46 HG23 VAL 46 1.492 7.019 -9.035 366 HA PRO 47 HA PRO 47 3.264 2.748 -12.297 367 HB2 PRO 47 HB2 PRO 47 4.389 4.044 -14.480 368 HB3 PRO 47 HB3 PRO 47 3.053 2.879 -14.555 369 HG2 PRO 47 HG2 PRO 47 2.894 5.907 -14.476 370 HG3 PRO 47 HG3 PRO 47 2.048 4.778 -15.589 371 HD2 PRO 47 HD2 PRO 47 0.769 5.744 -13.464 372 HD3 PRO 47 HD3 PRO 47 0.603 4.029 -13.865 373 H GLY 48 H GLY 48 4.894 2.839 -10.945 374 HA2 GLY 48 HA2 GLY 48 6.968 3.486 -10.134 375 HA3 GLY 48 HA3 GLY 48 6.745 5.132 -10.738 376 H GLY 49 H GLY 49 3.866 4.558 -9.200 377 HA2 GLY 49 HA2 GLY 49 4.559 6.174 -6.918 378 HA3 GLY 49 HA3 GLY 49 2.986 5.468 -7.275 379 H LYS 50 H LYS 50 4.301 5.727 -4.697 380 HA LYS 50 HA LYS 50 4.683 2.870 -3.887 381 HB2 LYS 50 HB2 LYS 50 5.456 5.359 -2.335 382 HB3 LYS 50 HB3 LYS 50 5.883 3.684 -1.970 383 HG2 LYS 50 HG2 LYS 50 7.173 3.591 -4.123 384 HG3 LYS 50 HG3 LYS 50 6.820 5.296 -4.383 385 HD2 LYS 50 HD2 LYS 50 7.953 5.852 -2.224 386 HD3 LYS 50 HD3 LYS 50 8.389 4.139 -2.052 387 HE2 LYS 50 HE2 LYS 50 9.714 4.214 -4.095 388 HE3 LYS 50 HE3 LYS 50 9.198 5.873 -4.421 389 HZ1 LYS 50 HZ1 LYS 50 10.421 6.622 -2.508 390 HZ2 LYS 50 HZ2 LYS 50 10.741 5.109 -1.989 391 HZ3 LYS 50 HZ3 LYS 50 11.428 5.647 -3.377 392 H PHE 51 H PHE 51 3.699 2.060 -2.043 393 HA PHE 51 HA PHE 51 0.976 3.059 -1.676 394 HB2 PHE 51 HB2 PHE 51 2.369 0.537 -0.780 395 HB3 PHE 51 HB3 PHE 51 0.717 0.932 -0.328 396 HD1 PHE 51 HD2 PHE 51 -0.981 1.471 -2.218 397 HD2 PHE 51 HD1 PHE 51 2.735 -0.611 -2.845 398 HE1 PHE 51 HE2 PHE 51 -1.861 0.520 -4.325 399 HE2 PHE 51 HE1 PHE 51 1.847 -1.585 -4.937 400 HZ PHE 51 HZ PHE 51 -0.458 -1.037 -5.682 401 HA PRO 52 HA PRO 52 1.922 4.830 2.421 402 HB2 PRO 52 HB2 PRO 52 -0.413 6.176 2.847 403 HB3 PRO 52 HB3 PRO 52 0.794 6.711 1.649 404 HG2 PRO 52 HG2 PRO 52 -1.737 5.128 1.178 405 HG3 PRO 52 HG3 PRO 52 -1.115 6.540 0.267 406 HD2 PRO 52 HD2 PRO 52 -0.750 3.934 -0.544 407 HD3 PRO 52 HD3 PRO 52 0.419 5.240 -0.900 408 H VAL 53 H VAL 53 -0.530 2.502 1.732 409 HA VAL 53 HA VAL 53 -0.845 1.634 4.483 410 HB VAL 53 HB VAL 53 -3.296 1.535 4.420 411 HG11 VAL 53 HG11 VAL 53 -2.281 4.394 4.254 412 HG12 VAL 53 HG12 VAL 53 -3.742 3.810 5.075 413 HG13 VAL 53 HG13 VAL 53 -2.146 3.326 5.670 414 HG21 VAL 53 HG21 VAL 53 -4.598 2.934 2.916 415 HG22 VAL 53 HG22 VAL 53 -3.127 3.450 2.063 416 HG23 VAL 53 HG23 VAL 53 -3.663 1.756 1.984 417 H ASP 54 H ASP 54 -2.351 -0.413 4.402 418 HA ASP 54 HA ASP 54 -1.594 -2.090 2.045 419 HB2 ASP 54 HB2 ASP 54 -2.170 -3.976 3.387 420 HB3 ASP 54 HB3 ASP 54 -1.101 -2.949 4.332 421 H GLY 55 H GLY 55 -3.361 -3.517 1.173 422 HA2 GLY 55 HA2 GLY 55 -6.072 -3.159 1.802 423 HA3 GLY 55 HA3 GLY 55 -5.755 -1.994 0.528 424 H ARG 56 H ARG 56 -7.584 -3.426 -0.202 425 HA ARG 56 HA ARG 56 -6.642 -5.802 -1.748 426 HB2 ARG 56 HB2 ARG 56 -8.530 -5.960 -0.045 427 HB3 ARG 56 HB3 ARG 56 -9.509 -5.015 -1.164 428 HG2 ARG 56 HG2 ARG 56 -9.212 -6.806 -2.894 429 HG3 ARG 56 HG3 ARG 56 -8.194 -7.700 -1.753 430 HD2 ARG 56 HD2 ARG 56 -10.307 -8.711 -1.533 431 HD3 ARG 56 HD3 ARG 56 -10.150 -7.683 -0.127 432 HE ARG 56 HE ARG 56 -11.885 -6.320 -0.889 433 HH11 ARG 56 HH11 ARG 56 -11.154 -8.673 -3.424 434 HH12 ARG 56 HH12 ARG 56 -12.493 -8.160 -4.403 435 HH21 ARG 56 HH21 ARG 56 -13.612 -5.766 -2.212 436 HH22 ARG 56 HH22 ARG 56 -13.892 -6.646 -3.686 437 H VAL 57 H VAL 57 -6.993 -6.000 -3.902 438 HA VAL 57 HA VAL 57 -7.073 -3.452 -5.433 439 HB VAL 57 HB VAL 57 -5.948 -6.185 -6.138 440 HG11 VAL 57 HG11 VAL 57 -5.743 -3.520 -7.592 441 HG12 VAL 57 HG12 VAL 57 -4.784 -4.972 -7.980 442 HG13 VAL 57 HG13 VAL 57 -6.526 -5.000 -8.183 443 HG21 VAL 57 HG21 VAL 57 -4.409 -3.667 -5.406 444 HG22 VAL 57 HG22 VAL 57 -4.623 -5.073 -4.336 445 HG23 VAL 57 HG23 VAL 57 -3.732 -5.244 -5.848 446 H ILE 58 H ILE 58 -8.669 -3.086 -6.889 447 HA ILE 58 HA ILE 58 -10.328 -5.370 -7.929 448 HB ILE 58 HB ILE 58 -12.345 -3.804 -7.433 449 HG12 ILE 58 HG12 ILE 58 -10.431 -2.715 -5.330 450 HG13 ILE 58 HG13 ILE 58 -10.754 -1.852 -6.848 451 HG21 ILE 58 HG21 ILE 58 -10.942 -5.085 -5.058 452 HG22 ILE 58 HG22 ILE 58 -12.673 -4.756 -5.246 453 HG23 ILE 58 HG23 ILE 58 -11.894 -5.957 -6.282 454 HD11 ILE 58 HD11 ILE 58 -12.126 -0.904 -5.124 455 HD12 ILE 58 HD12 ILE 58 -13.170 -1.752 -6.282 456 HD13 ILE 58 HD13 ILE 58 -12.799 -2.485 -4.696 457 H GLU 59 H GLU 59 -8.302 -3.627 -9.198 458 HA GLU 59 HA GLU 59 -9.511 -3.621 -11.795 459 HB2 GLU 59 HB2 GLU 59 -10.235 -1.288 -10.846 460 HB3 GLU 59 HB3 GLU 59 -8.511 -0.947 -10.789 461 HG2 GLU 59 HG2 GLU 59 -9.085 0.084 -12.718 462 HG3 GLU 59 HG3 GLU 59 -8.477 -1.441 -13.331 463 H GLY 60 H GLY 60 -7.703 -4.002 -13.239 464 HA2 GLY 60 HA2 GLY 60 -5.639 -3.328 -14.149 465 HA3 GLY 60 HA3 GLY 60 -5.165 -2.612 -12.624 466 H HIS 61 H HIS 61 -3.290 -3.729 -13.678 467 HA HIS 61 HA HIS 61 -2.811 -6.419 -12.471 468 HB2 HIS 61 HB2 HIS 61 -2.240 -7.381 -14.689 469 HB3 HIS 61 HB3 HIS 61 -3.919 -6.908 -14.534 470 HD1 HIS 61 HD1 HIS 61 -4.824 -5.072 -16.227 471 HD2 HIS 61 HD2 HIS 61 -0.670 -5.797 -16.348 472 HE1 HIS 61 HE1 HIS 61 -3.934 -3.870 -18.298 473 H SER 62 H SER 62 -1.411 -4.148 -11.626 474 HA SER 62 HA SER 62 1.143 -4.017 -13.023 475 HB2 SER 62 HB2 SER 62 -0.055 -2.646 -10.685 476 HB3 SER 62 HB3 SER 62 1.701 -2.812 -10.660 477 HG SER 62 HG SER 62 1.791 -1.833 -12.621 478 H MET 63 H MET 63 3.232 -4.398 -12.126 479 HA MET 63 HA MET 63 3.332 -6.774 -10.336 480 HB2 MET 63 HB2 MET 63 4.407 -7.084 -12.487 481 HB3 MET 63 HB3 MET 63 5.422 -5.655 -12.219 482 HG2 MET 63 HG2 MET 63 6.525 -6.666 -10.358 483 HG3 MET 63 HG3 MET 63 5.349 -7.975 -10.248 484 HE1 MET 63 HE1 MET 63 6.230 -10.469 -12.936 485 HE2 MET 63 HE2 MET 63 5.475 -10.182 -11.352 486 HE3 MET 63 HE3 MET 63 4.880 -9.320 -12.787 487 H VAL 64 H VAL 64 3.948 -6.462 -8.333 488 HA VAL 64 HA VAL 64 4.828 -3.743 -7.502 489 HB VAL 64 HB VAL 64 3.172 -5.797 -6.016 490 HG11 VAL 64 HG11 VAL 64 4.113 -3.004 -5.225 491 HG12 VAL 64 HG12 VAL 64 2.825 -3.897 -4.400 492 HG13 VAL 64 HG13 VAL 64 4.469 -4.545 -4.404 493 HG21 VAL 64 HG21 VAL 64 1.911 -4.665 -7.825 494 HG22 VAL 64 HG22 VAL 64 1.374 -4.093 -6.243 495 HG23 VAL 64 HG23 VAL 64 2.451 -3.084 -7.228 496 H ASP 65 H ASP 65 6.686 -3.428 -6.419 497 HA ASP 65 HA ASP 65 8.369 -5.792 -5.829 498 HB2 ASP 65 HB2 ASP 65 9.346 -4.036 -7.210 499 HB3 ASP 65 HB3 ASP 65 9.035 -2.834 -5.945 500 H GLU 66 H GLU 66 7.929 -6.643 -3.951 501 HA GLU 66 HA GLU 66 7.709 -4.978 -1.490 502 HB2 GLU 66 HB2 GLU 66 6.267 -6.820 -0.596 503 HB3 GLU 66 HB3 GLU 66 5.580 -5.838 -1.881 504 HG2 GLU 66 HG2 GLU 66 5.928 -7.610 -3.528 505 HG3 GLU 66 HG3 GLU 66 6.756 -8.602 -2.328 506 H SER 67 H SER 67 10.150 -6.103 -2.755 507 HA SER 67 HA SER 67 10.988 -8.457 -1.523 508 HB2 SER 67 HB2 SER 67 13.188 -7.933 -2.400 509 HB3 SER 67 HB3 SER 67 11.934 -7.504 -3.573 510 HG SER 67 HG SER 67 13.641 -5.855 -2.078 511 H LEU 68 H LEU 68 11.100 -5.281 -0.003 512 HA LEU 68 HA LEU 68 12.810 -6.297 2.191 513 HB2 LEU 68 HB2 LEU 68 13.048 -4.013 1.389 514 HB3 LEU 68 HB3 LEU 68 11.361 -3.669 1.676 515 HG LEU 68 HG LEU 68 12.912 -2.614 3.247 516 HD11 LEU 68 HD11 LEU 68 10.525 -3.105 3.866 517 HD12 LEU 68 HD12 LEU 68 11.121 -4.499 4.799 518 HD13 LEU 68 HD13 LEU 68 11.647 -2.863 5.213 519 HD21 LEU 68 HD21 LEU 68 14.576 -4.411 3.497 520 HD22 LEU 68 HD22 LEU 68 13.977 -3.813 5.054 521 HD23 LEU 68 HD23 LEU 68 13.393 -5.372 4.422 522 H ILE 69 H ILE 69 9.451 -5.350 1.615 523 HA ILE 69 HA ILE 69 8.491 -5.696 4.280 524 HB ILE 69 HB ILE 69 6.883 -5.876 1.702 525 HG12 ILE 69 HG12 ILE 69 8.128 -3.713 1.892 526 HG13 ILE 69 HG13 ILE 69 6.384 -3.565 1.857 527 HG21 ILE 69 HG21 ILE 69 5.000 -5.086 3.256 528 HG22 ILE 69 HG22 ILE 69 5.525 -6.759 3.472 529 HG23 ILE 69 HG23 ILE 69 6.056 -5.511 4.611 530 HD11 ILE 69 HD11 ILE 69 6.312 -3.175 4.281 531 HD12 ILE 69 HD12 ILE 69 8.082 -3.379 4.376 532 HD13 ILE 69 HD13 ILE 69 7.375 -2.019 3.477 533 H THR 70 H THR 70 7.879 -7.933 1.500 534 HA THR 70 HA THR 70 7.296 -10.111 3.451 535 HB THR 70 HB THR 70 6.242 -11.244 1.558 536 HG1 THR 70 HG1 THR 70 5.979 -9.786 -0.346 537 HG21 THR 70 HG21 THR 70 4.346 -9.795 1.302 538 HG22 THR 70 HG22 THR 70 4.974 -9.522 2.932 539 HG23 THR 70 HG23 THR 70 5.302 -8.344 1.634 540 H GLY 71 H GLY 71 9.827 -9.096 1.410 541 HA2 GLY 71 HA2 GLY 71 11.993 -10.059 1.432 542 HA3 GLY 71 HA3 GLY 71 11.332 -11.581 1.986 543 H GLU 72 H GLU 72 9.352 -10.754 -0.550 544 HA GLU 72 HA GLU 72 10.359 -12.781 -2.315 545 HB2 GLU 72 HB2 GLU 72 8.377 -10.512 -2.771 546 HB3 GLU 72 HB3 GLU 72 8.668 -11.826 -3.907 547 HG2 GLU 72 HG2 GLU 72 7.602 -12.204 -1.077 548 HG3 GLU 72 HG3 GLU 72 6.612 -12.071 -2.531 549 H ALA 73 H ALA 73 12.410 -12.506 -3.221 550 HA ALA 73 HA ALA 73 13.390 -9.902 -4.040 551 HB1 ALA 73 HB1 ALA 73 15.323 -11.207 -4.838 552 HB2 ALA 73 HB2 ALA 73 14.853 -11.714 -3.206 553 HB3 ALA 73 HB3 ALA 73 14.417 -12.721 -4.607 554 H MET 74 H MET 74 11.352 -12.195 -5.462 555 HA MET 74 HA MET 74 11.680 -11.272 -8.274 556 HB2 MET 74 HB2 MET 74 10.810 -13.818 -6.914 557 HB3 MET 74 HB3 MET 74 10.091 -13.383 -8.445 558 HG2 MET 74 HG2 MET 74 11.993 -14.832 -8.813 559 HG3 MET 74 HG3 MET 74 12.281 -13.247 -9.518 560 HE1 MET 74 HE1 MET 74 14.794 -13.896 -9.895 561 HE2 MET 74 HE2 MET 74 15.870 -14.512 -8.620 562 HE3 MET 74 HE3 MET 74 14.485 -15.487 -9.160 563 HA PRO 75 HA PRO 75 8.353 -8.712 -6.644 564 HB2 PRO 75 HB2 PRO 75 8.301 -7.836 -9.536 565 HB3 PRO 75 HB3 PRO 75 8.130 -6.827 -8.064 566 HG2 PRO 75 HG2 PRO 75 10.512 -6.953 -9.294 567 HG3 PRO 75 HG3 PRO 75 10.460 -7.177 -7.512 568 HD2 PRO 75 HD2 PRO 75 10.587 -9.310 -9.672 569 HD3 PRO 75 HD3 PRO 75 11.557 -9.146 -8.179 570 H VAL 76 H VAL 76 6.113 -8.528 -6.663 571 HA VAL 76 HA VAL 76 4.865 -11.033 -7.614 572 HB VAL 76 HB VAL 76 4.009 -9.016 -5.499 573 HG11 VAL 76 HG11 VAL 76 2.886 -11.749 -6.226 574 HG12 VAL 76 HG12 VAL 76 2.469 -10.845 -4.757 575 HG13 VAL 76 HG13 VAL 76 2.036 -10.196 -6.344 576 HG21 VAL 76 HG21 VAL 76 6.054 -10.250 -4.843 577 HG22 VAL 76 HG22 VAL 76 4.668 -10.799 -3.901 578 HG23 VAL 76 HG23 VAL 76 5.265 -11.789 -5.247 579 H ALA 77 H ALA 77 3.414 -11.136 -9.236 580 HA ALA 77 HA ALA 77 2.316 -8.696 -10.414 581 HB1 ALA 77 HB1 ALA 77 1.328 -10.190 -12.047 582 HB2 ALA 77 HB2 ALA 77 3.024 -10.641 -11.793 583 HB3 ALA 77 HB3 ALA 77 1.724 -11.605 -11.058 584 H LYS 78 H LYS 78 0.339 -7.905 -10.279 585 HA LYS 78 HA LYS 78 -1.668 -9.145 -8.434 586 HB2 LYS 78 HB2 LYS 78 -1.356 -6.217 -9.175 587 HB3 LYS 78 HB3 LYS 78 -2.404 -6.882 -7.928 588 HG2 LYS 78 HG2 LYS 78 0.645 -6.903 -7.874 589 HG3 LYS 78 HG3 LYS 78 -0.390 -5.768 -7.020 590 HD2 LYS 78 HD2 LYS 78 -1.277 -7.502 -5.599 591 HD3 LYS 78 HD3 LYS 78 -0.441 -8.769 -6.520 592 HE2 LYS 78 HE2 LYS 78 1.744 -7.908 -5.868 593 HE3 LYS 78 HE3 LYS 78 1.013 -6.511 -5.069 594 HZ1 LYS 78 HZ1 LYS 78 0.550 -9.315 -4.210 595 HZ2 LYS 78 HZ2 LYS 78 1.598 -8.264 -3.460 596 HZ3 LYS 78 HZ3 LYS 78 -0.010 -7.995 -3.466 597 H LYS 79 H LYS 79 -3.866 -8.444 -8.830 598 HA LYS 79 HA LYS 79 -4.865 -8.040 -11.585 599 HB2 LYS 79 HB2 LYS 79 -6.132 -10.195 -11.527 600 HB3 LYS 79 HB3 LYS 79 -4.395 -10.445 -11.558 601 HG2 LYS 79 HG2 LYS 79 -4.351 -11.054 -9.223 602 HG3 LYS 79 HG3 LYS 79 -6.000 -10.471 -8.963 603 HD2 LYS 79 HD2 LYS 79 -5.959 -12.879 -9.013 604 HD3 LYS 79 HD3 LYS 79 -6.919 -12.230 -10.350 605 HE2 LYS 79 HE2 LYS 79 -5.091 -12.652 -11.934 606 HE3 LYS 79 HE3 LYS 79 -4.024 -13.163 -10.612 607 HZ1 LYS 79 HZ1 LYS 79 -5.001 -15.079 -11.715 608 HZ2 LYS 79 HZ2 LYS 79 -5.519 -14.993 -10.171 609 HZ3 LYS 79 HZ3 LYS 79 -6.540 -14.549 -11.360 610 HA PRO 80 HA PRO 80 -8.448 -6.649 -9.095 611 HB2 PRO 80 HB2 PRO 80 -10.665 -7.581 -10.438 612 HB3 PRO 80 HB3 PRO 80 -9.720 -6.155 -10.966 613 HG2 PRO 80 HG2 PRO 80 -9.481 -9.014 -11.961 614 HG3 PRO 80 HG3 PRO 80 -9.601 -7.509 -12.929 615 HD2 PRO 80 HD2 PRO 80 -7.201 -8.652 -12.451 616 HD3 PRO 80 HD3 PRO 80 -7.386 -6.881 -12.397 617 H GLY 81 H GLY 81 -9.341 -7.584 -7.288 618 HA2 GLY 81 HA2 GLY 81 -9.919 -9.228 -5.751 619 HA3 GLY 81 HA3 GLY 81 -9.791 -10.480 -6.991 620 H SER 82 H SER 82 -7.329 -8.072 -5.908 621 HA SER 82 HA SER 82 -5.529 -10.284 -4.961 622 HB2 SER 82 HB2 SER 82 -4.963 -9.396 -7.266 623 HB3 SER 82 HB3 SER 82 -4.611 -7.841 -6.508 624 HG SER 82 HG SER 82 -3.322 -10.343 -6.217 625 H THR 83 H THR 83 -3.597 -9.222 -3.587 626 HA THR 83 HA THR 83 -4.633 -6.928 -1.987 627 HB THR 83 HB THR 83 -3.656 -8.203 0.027 628 HG1 THR 83 HG1 THR 83 -2.744 -9.959 -0.914 629 HG21 THR 83 HG21 THR 83 -6.045 -7.740 -0.223 630 HG22 THR 83 HG22 THR 83 -6.240 -9.160 -1.270 631 HG23 THR 83 HG23 THR 83 -5.786 -9.360 0.437 632 H VAL 84 H VAL 84 -3.147 -5.647 -0.925 633 HA VAL 84 HA VAL 84 -0.260 -5.983 -1.595 634 HB VAL 84 HB VAL 84 -0.109 -3.586 -2.188 635 HG11 VAL 84 HG11 VAL 84 -0.975 -3.737 -4.452 636 HG12 VAL 84 HG12 VAL 84 -0.234 -5.266 -3.958 637 HG13 VAL 84 HG13 VAL 84 -2.003 -5.117 -4.004 638 HG21 VAL 84 HG21 VAL 84 -2.193 -2.758 -1.096 639 HG22 VAL 84 HG22 VAL 84 -2.039 -2.275 -2.787 640 HG23 VAL 84 HG23 VAL 84 -3.150 -3.588 -2.345 641 H ILE 85 H ILE 85 1.166 -4.569 -0.441 642 HA ILE 85 HA ILE 85 0.177 -3.592 2.188 643 HB ILE 85 HB ILE 85 2.674 -4.252 2.922 644 HG12 ILE 85 HG12 ILE 85 3.198 -6.565 2.272 645 HG13 ILE 85 HG13 ILE 85 1.923 -6.563 1.066 646 HG21 ILE 85 HG21 ILE 85 0.281 -6.116 3.000 647 HG22 ILE 85 HG22 ILE 85 1.702 -6.159 4.073 648 HG23 ILE 85 HG23 ILE 85 0.620 -4.766 4.113 649 HD11 ILE 85 HD11 ILE 85 4.153 -6.230 0.090 650 HD12 ILE 85 HD12 ILE 85 3.132 -4.822 -0.217 651 HD13 ILE 85 HD13 ILE 85 4.378 -4.744 1.039 652 H ALA 86 H ALA 86 1.208 -1.938 3.190 653 HA ALA 86 HA ALA 86 1.971 0.263 1.622 654 HB1 ALA 86 HB1 ALA 86 2.493 1.307 3.784 655 HB2 ALA 86 HB2 ALA 86 1.005 0.353 3.917 656 HB3 ALA 86 HB3 ALA 86 2.514 -0.293 4.562 657 H GLY 87 H GLY 87 3.901 1.298 1.221 658 HA2 GLY 87 HA2 GLY 87 6.218 1.709 1.213 659 HA3 GLY 87 HA3 GLY 87 6.464 0.281 2.231 660 H SER 88 H SER 88 4.623 -0.897 -0.227 661 HA SER 88 HA SER 88 6.961 -1.787 -1.802 662 HB2 SER 88 HB2 SER 88 5.522 -3.406 -2.802 663 HB3 SER 88 HB3 SER 88 5.431 -3.506 -1.047 664 HG SER 88 HG SER 88 3.382 -2.574 -1.110 665 H ILE 89 H ILE 89 6.883 -1.748 -4.133 666 HA ILE 89 HA ILE 89 5.993 0.952 -5.052 667 HB ILE 89 HB ILE 89 8.171 -0.660 -6.348 668 HG12 ILE 89 HG12 ILE 89 8.862 -0.751 -4.045 669 HG13 ILE 89 HG13 ILE 89 9.913 0.259 -5.003 670 HG21 ILE 89 HG21 ILE 89 9.061 1.604 -6.872 671 HG22 ILE 89 HG22 ILE 89 7.438 1.344 -7.514 672 HG23 ILE 89 HG23 ILE 89 7.658 2.330 -6.058 673 HD11 ILE 89 HD11 ILE 89 7.749 1.372 -3.162 674 HD12 ILE 89 HD12 ILE 89 9.450 1.152 -2.719 675 HD13 ILE 89 HD13 ILE 89 9.029 2.272 -4.017 676 H ASN 90 H ASN 90 4.624 1.213 -6.772 677 HA ASN 90 HA ASN 90 3.714 -1.178 -8.250 678 HB2 ASN 90 HB2 ASN 90 2.101 0.353 -7.078 679 HB3 ASN 90 HB3 ASN 90 2.632 1.674 -8.120 680 HD21 ASN 90 HD22 ASN 90 1.597 1.810 -10.131 681 HD22 ASN 90 HD21 ASN 90 0.657 0.454 -10.762 682 H GLN 91 H GLN 91 3.781 -1.388 -10.543 683 HA GLN 91 HA GLN 91 4.673 0.805 -12.243 684 HB2 GLN 91 HB2 GLN 91 6.736 -0.537 -11.235 685 HB3 GLN 91 HB3 GLN 91 6.202 -1.802 -12.352 686 HG2 GLN 91 HG2 GLN 91 8.008 -0.510 -13.341 687 HG3 GLN 91 HG3 GLN 91 6.529 -0.235 -14.256 688 HE21 GLN 91 HE22 GLN 91 5.868 1.921 -14.519 689 HE22 GLN 91 HE21 GLN 91 6.549 3.247 -13.593 690 H ASN 92 H ASN 92 3.811 0.510 -14.350 691 HA ASN 92 HA ASN 92 2.839 -0.327 -16.145 692 HB2 ASN 92 HB2 ASN 92 5.082 -1.216 -16.487 693 HB3 ASN 92 HB3 ASN 92 4.662 -2.663 -15.562 694 HD21 ASN 92 HD22 ASN 92 3.610 -0.930 -18.475 695 HD22 ASN 92 HD21 ASN 92 2.774 -2.403 -19.026 696 H GLY 93 H GLY 93 0.599 -0.476 -15.621 697 HA2 GLY 93 HA2 GLY 93 -0.928 -2.356 -16.062 698 HA3 GLY 93 HA3 GLY 93 -0.310 -3.074 -14.584 699 H SER 94 H SER 94 -0.336 -0.142 -13.525 700 HA SER 94 HA SER 94 -1.550 1.112 -12.093 701 HB2 SER 94 HB2 SER 94 -3.032 1.368 -14.703 702 HB3 SER 94 HB3 SER 94 -3.304 2.435 -13.306 703 HG SER 94 HG SER 94 -1.711 3.262 -14.722 704 H LEU 95 H LEU 95 -2.573 0.603 -10.337 705 HA LEU 95 HA LEU 95 -4.949 -1.181 -10.496 706 HB2 LEU 95 HB2 LEU 95 -3.036 -0.676 -8.233 707 HB3 LEU 95 HB3 LEU 95 -4.318 -1.874 -8.227 708 HG LEU 95 HG LEU 95 -1.773 -1.835 -9.873 709 HD11 LEU 95 HD11 LEU 95 -2.665 -3.662 -7.602 710 HD12 LEU 95 HD12 LEU 95 -1.135 -3.769 -8.510 711 HD13 LEU 95 HD13 LEU 95 -1.449 -2.366 -7.489 712 HD21 LEU 95 HD21 LEU 95 -3.344 -2.921 -11.222 713 HD22 LEU 95 HD22 LEU 95 -2.562 -4.276 -10.354 714 HD23 LEU 95 HD23 LEU 95 -4.157 -3.713 -9.863 715 H LEU 96 H LEU 96 -6.627 -1.024 -8.940 716 HA LEU 96 HA LEU 96 -7.097 1.638 -7.612 717 HB2 LEU 96 HB2 LEU 96 -9.032 -0.360 -8.827 718 HB3 LEU 96 HB3 LEU 96 -9.534 0.750 -7.612 719 HG LEU 96 HG LEU 96 -10.014 1.350 -10.045 720 HD11 LEU 96 HD11 LEU 96 -8.756 3.297 -8.093 721 HD12 LEU 96 HD12 LEU 96 -9.733 3.773 -9.510 722 HD13 LEU 96 HD13 LEU 96 -10.460 2.829 -8.206 723 HD21 LEU 96 HD21 LEU 96 -7.660 1.141 -10.951 724 HD22 LEU 96 HD22 LEU 96 -8.459 2.680 -11.270 725 HD23 LEU 96 HD23 LEU 96 -7.237 2.572 -9.986 726 H ILE 97 H ILE 97 -6.844 1.449 -5.426 727 HA ILE 97 HA ILE 97 -7.288 -1.225 -4.171 728 HB ILE 97 HB ILE 97 -5.406 1.037 -3.433 729 HG12 ILE 97 HG12 ILE 97 -3.724 -0.842 -3.480 730 HG13 ILE 97 HG13 ILE 97 -4.967 -1.897 -4.149 731 HG21 ILE 97 HG21 ILE 97 -6.095 -1.475 -1.844 732 HG22 ILE 97 HG22 ILE 97 -4.711 -0.413 -1.503 733 HG23 ILE 97 HG23 ILE 97 -6.342 0.209 -1.325 734 HD11 ILE 97 HD11 ILE 97 -4.924 -0.728 -6.233 735 HD12 ILE 97 HD12 ILE 97 -4.046 0.655 -5.530 736 HD13 ILE 97 HD13 ILE 97 -3.247 -0.919 -5.749 737 H CYS 98 H CYS 98 -8.896 -1.482 -2.728 738 HA CYS 98 HA CYS 98 -10.248 0.935 -1.618 739 HB2 CYS 98 HB2 CYS 98 -11.951 -0.629 -0.790 740 HB3 CYS 98 HB3 CYS 98 -11.771 -0.674 -2.551 741 HG CYS 98 HG CYS 98 -10.208 -2.686 -0.459 742 H ALA 99 H ALA 99 -9.621 1.738 0.285 743 HA ALA 99 HA ALA 99 -7.617 0.320 1.844 744 HB1 ALA 99 HB1 ALA 99 -8.943 3.035 2.232 745 HB2 ALA 99 HB2 ALA 99 -7.510 2.436 3.097 746 HB3 ALA 99 HB3 ALA 99 -7.433 2.717 1.346 747 H THR 100 H THR 100 -7.920 -0.889 3.548 748 HA THR 100 HA THR 100 -10.431 -0.715 5.195 749 HB THR 100 HB THR 100 -10.030 -3.094 5.760 750 HG1 THR 100 HG1 THR 100 -7.666 -2.681 4.558 751 HG21 THR 100 HG21 THR 100 -10.744 -4.047 3.656 752 HG22 THR 100 HG22 THR 100 -11.495 -2.451 3.821 753 HG23 THR 100 HG23 THR 100 -10.102 -2.668 2.739 754 H HIS 101 H HIS 101 -7.143 -0.043 5.401 755 HA HIS 101 HA HIS 101 -7.414 0.413 8.325 756 HB2 HIS 101 HB2 HIS 101 -4.895 -0.576 6.939 757 HB3 HIS 101 HB3 HIS 101 -5.111 -0.230 8.654 758 HD1 HIS 101 HD1 HIS 101 -4.670 -3.118 6.690 759 HD2 HIS 101 HD2 HIS 101 -7.502 -1.915 9.546 760 HE1 HIS 101 HE1 HIS 101 -5.713 -5.263 7.611 761 H VAL 102 H VAL 102 -6.419 2.315 9.032 762 HA VAL 102 HA VAL 102 -5.484 4.233 6.973 763 HB VAL 102 HB VAL 102 -5.681 5.923 8.759 764 HG11 VAL 102 HG11 VAL 102 -8.225 4.324 8.340 765 HG12 VAL 102 HG12 VAL 102 -8.071 6.051 8.717 766 HG13 VAL 102 HG13 VAL 102 -7.505 5.445 7.157 767 HG21 VAL 102 HG21 VAL 102 -5.391 4.454 10.760 768 HG22 VAL 102 HG22 VAL 102 -6.843 5.455 10.832 769 HG23 VAL 102 HG23 VAL 102 -6.994 3.740 10.437 770 H GLY 103 H GLY 103 -3.760 5.903 8.566 771 HA2 GLY 103 HA2 GLY 103 -1.330 4.563 7.698 772 HA3 GLY 103 HA3 GLY 103 -1.500 6.178 8.403 773 H ALA 104 H ALA 104 -2.844 5.382 10.821 774 HA ALA 104 HA ALA 104 -0.735 4.185 12.452 775 HB1 ALA 104 HB1 ALA 104 -3.597 5.009 13.109 776 HB2 ALA 104 HB2 ALA 104 -2.341 4.556 14.282 777 HB3 ALA 104 HB3 ALA 104 -2.142 6.013 13.292 778 H ASP 105 H ASP 105 -4.031 3.164 11.508 779 HA ASP 105 HA ASP 105 -4.030 0.737 12.976 780 HB2 ASP 105 HB2 ASP 105 -5.961 2.244 12.260 781 HB3 ASP 105 HB3 ASP 105 -5.839 1.509 10.661 782 H THR 106 H THR 106 -2.453 1.263 10.105 783 HA THR 106 HA THR 106 -2.944 -0.801 8.339 784 HB THR 106 HB THR 106 -1.524 0.961 7.779 785 HG1 THR 106 HG1 THR 106 -0.806 -0.517 6.555 786 HG21 THR 106 HG21 THR 106 0.465 0.082 9.856 787 HG22 THR 106 HG22 THR 106 0.749 1.316 8.613 788 HG23 THR 106 HG23 THR 106 -0.474 1.573 9.860 789 H THR 107 H THR 107 -2.244 -2.810 7.857 790 HA THR 107 HA THR 107 -1.483 -4.598 9.983 791 HB THR 107 HB THR 107 -2.701 -5.082 7.764 792 HG1 THR 107 HG1 THR 107 -2.216 -7.152 8.000 793 HG21 THR 107 HG21 THR 107 -1.416 -5.982 5.959 794 HG22 THR 107 HG22 THR 107 -0.785 -4.355 6.268 795 HG23 THR 107 HG23 THR 107 0.114 -5.780 6.837 796 H LEU 108 H LEU 108 0.403 -2.473 7.964 797 HA LEU 108 HA LEU 108 3.022 -3.616 8.253 798 HB2 LEU 108 HB2 LEU 108 2.192 -1.681 6.769 799 HB3 LEU 108 HB3 LEU 108 2.175 -0.702 8.226 800 HG LEU 108 HG LEU 108 4.727 -1.377 8.418 801 HD11 LEU 108 HD11 LEU 108 4.170 -1.764 5.430 802 HD12 LEU 108 HD12 LEU 108 5.767 -1.638 6.185 803 HD13 LEU 108 HD13 LEU 108 4.716 -3.026 6.551 804 HD21 LEU 108 HD21 LEU 108 3.931 0.888 8.069 805 HD22 LEU 108 HD22 LEU 108 5.250 0.569 6.934 806 HD23 LEU 108 HD23 LEU 108 3.579 0.546 6.360 807 H SER 109 H SER 109 1.017 -1.600 10.393 808 HA SER 109 HA SER 109 3.059 -1.304 12.482 809 HB2 SER 109 HB2 SER 109 1.314 0.448 12.010 810 HB3 SER 109 HB3 SER 109 0.098 -0.676 12.645 811 HG SER 109 HG SER 109 0.794 0.639 14.311 812 H GLN 110 H GLN 110 0.598 -3.583 11.525 813 HA GLN 110 HA GLN 110 0.305 -4.829 14.190 814 HB2 GLN 110 HB2 GLN 110 -1.403 -4.854 12.238 815 HB3 GLN 110 HB3 GLN 110 -0.413 -6.123 11.545 816 HG2 GLN 110 HG2 GLN 110 -1.969 -7.343 12.716 817 HG3 GLN 110 HG3 GLN 110 -0.647 -7.298 13.886 818 HE21 GLN 110 HE22 GLN 110 -3.725 -5.727 12.934 819 HE22 GLN 110 HE21 GLN 110 -4.026 -5.041 14.526 820 H ILE 111 H ILE 111 2.124 -5.485 11.197 821 HA ILE 111 HA ILE 111 3.445 -7.869 11.916 822 HB ILE 111 HB ILE 111 4.178 -5.582 10.066 823 HG12 ILE 111 HG12 ILE 111 3.381 -8.446 9.375 824 HG13 ILE 111 HG13 ILE 111 2.182 -7.198 9.639 825 HG21 ILE 111 HG21 ILE 111 5.665 -8.233 10.336 826 HG22 ILE 111 HG22 ILE 111 5.897 -7.060 9.026 827 HG23 ILE 111 HG23 ILE 111 6.325 -6.610 10.663 828 HD11 ILE 111 HD11 ILE 111 3.270 -5.810 7.829 829 HD12 ILE 111 HD12 ILE 111 4.298 -7.211 7.453 830 HD13 ILE 111 HD13 ILE 111 2.541 -7.321 7.281 831 H VAL 112 H VAL 112 4.613 -4.469 12.552 832 HA VAL 112 HA VAL 112 7.042 -5.392 13.730 833 HB VAL 112 HB VAL 112 7.254 -3.111 14.647 834 HG11 VAL 112 HG11 VAL 112 7.721 -2.121 12.483 835 HG12 VAL 112 HG12 VAL 112 8.083 -3.849 12.375 836 HG13 VAL 112 HG13 VAL 112 6.581 -3.219 11.671 837 HG21 VAL 112 HG21 VAL 112 4.872 -2.485 14.868 838 HG22 VAL 112 HG22 VAL 112 5.800 -1.335 13.882 839 HG23 VAL 112 HG23 VAL 112 4.734 -2.505 13.091 840 H LYS 113 H LYS 113 4.071 -5.784 15.055 841 HA LYS 113 HA LYS 113 4.898 -5.735 17.921 842 HB2 LYS 113 HB2 LYS 113 2.408 -6.870 16.619 843 HB3 LYS 113 HB3 LYS 113 2.751 -6.801 18.346 844 HG2 LYS 113 HG2 LYS 113 2.697 -4.357 18.334 845 HG3 LYS 113 HG3 LYS 113 2.544 -4.331 16.581 846 HD2 LYS 113 HD2 LYS 113 0.373 -3.942 17.396 847 HD3 LYS 113 HD3 LYS 113 0.403 -5.596 16.750 848 HE2 LYS 113 HE2 LYS 113 0.907 -6.362 19.129 849 HE3 LYS 113 HE3 LYS 113 0.568 -4.706 19.651 850 HZ1 LYS 113 HZ1 LYS 113 -1.685 -4.995 18.660 851 HZ2 LYS 113 HZ2 LYS 113 -1.309 -6.569 18.294 852 HZ3 LYS 113 HZ3 LYS 113 -1.400 -6.104 19.851 853 H LEU 114 H LEU 114 4.692 -7.889 15.180 854 HA LEU 114 HA LEU 114 5.041 -10.414 16.662 855 HB2 LEU 114 HB2 LEU 114 3.617 -9.685 14.381 856 HB3 LEU 114 HB3 LEU 114 5.089 -10.342 13.674 857 HG LEU 114 HG LEU 114 3.175 -11.750 15.567 858 HD11 LEU 114 HD11 LEU 114 2.642 -13.102 13.555 859 HD12 LEU 114 HD12 LEU 114 2.286 -11.390 13.291 860 HD13 LEU 114 HD13 LEU 114 3.752 -12.107 12.587 861 HD21 LEU 114 HD21 LEU 114 5.424 -12.665 15.892 862 HD22 LEU 114 HD22 LEU 114 4.472 -13.808 14.945 863 HD23 LEU 114 HD23 LEU 114 5.658 -12.767 14.126 864 H VAL 115 H VAL 115 6.760 -8.311 14.360 865 HA VAL 115 HA VAL 115 9.114 -9.963 14.089 866 HB VAL 115 HB VAL 115 8.595 -7.042 13.440 867 HG11 VAL 115 HG11 VAL 115 10.983 -8.760 12.632 868 HG12 VAL 115 HG12 VAL 115 10.575 -7.179 11.933 869 HG13 VAL 115 HG13 VAL 115 11.038 -7.294 13.627 870 HG21 VAL 115 HG21 VAL 115 8.451 -7.865 11.124 871 HG22 VAL 115 HG22 VAL 115 8.795 -9.518 11.663 872 HG23 VAL 115 HG23 VAL 115 7.282 -8.728 12.128 873 H GLU 116 H GLU 116 8.177 -7.680 16.553 874 HA GLU 116 HA GLU 116 10.738 -7.132 17.737 875 HB2 GLU 116 HB2 GLU 116 8.530 -6.026 18.148 876 HB3 GLU 116 HB3 GLU 116 7.953 -7.476 18.957 877 HG2 GLU 116 HG2 GLU 116 9.521 -7.149 20.774 878 HG3 GLU 116 HG3 GLU 116 10.344 -5.849 19.884 879 H GLU 117 H GLU 117 8.345 -9.564 19.018 880 HA GLU 117 HA GLU 117 10.185 -11.152 20.234 881 HB2 GLU 117 HB2 GLU 117 7.496 -11.941 19.044 882 HB3 GLU 117 HB3 GLU 117 8.421 -12.884 20.227 883 HG2 GLU 117 HG2 GLU 117 8.345 -10.392 21.447 884 HG3 GLU 117 HG3 GLU 117 6.799 -10.444 20.611 885 H ALA 118 H ALA 118 10.274 -10.944 16.850 886 HA ALA 118 HA ALA 118 10.903 -13.712 16.274 887 HB1 ALA 118 HB1 ALA 118 11.659 -11.207 14.722 888 HB2 ALA 118 HB2 ALA 118 11.612 -12.867 14.112 889 HB3 ALA 118 HB3 ALA 118 10.110 -12.043 14.566 890 H GLN 119 H GLN 119 12.793 -10.918 17.327 891 HA GLN 119 HA GLN 119 15.392 -12.112 16.832 892 HB2 GLN 119 HB2 GLN 119 14.450 -9.587 18.220 893 HB3 GLN 119 HB3 GLN 119 16.131 -10.094 18.286 894 HG2 GLN 119 HG2 GLN 119 16.064 -8.628 16.471 895 HG3 GLN 119 HG3 GLN 119 16.142 -10.244 15.741 896 HE21 GLN 119 HE22 GLN 119 13.942 -7.673 16.790 897 HE22 GLN 119 HE21 GLN 119 12.608 -8.284 15.809 Start of MODEL 2 1 H SER 1 H SER 1 18.101 -6.865 12.286 2 HA SER 1 HA SER 1 16.074 -5.273 13.755 3 HB2 SER 1 HB2 SER 1 18.073 -4.400 14.984 4 HB3 SER 1 HB3 SER 1 17.772 -6.139 15.144 5 HG SER 1 HG SER 1 19.960 -5.583 14.776 6 H GLU 2 H GLU 2 18.303 -4.845 11.067 7 HA GLU 2 HA GLU 2 17.993 -1.916 10.985 8 HB2 GLU 2 HB2 GLU 2 19.964 -3.326 10.055 9 HB3 GLU 2 HB3 GLU 2 18.897 -3.733 8.716 10 HG2 GLU 2 HG2 GLU 2 18.653 -1.354 8.138 11 HG3 GLU 2 HG3 GLU 2 19.620 -0.889 9.544 12 H ALA 3 H ALA 3 16.561 -4.806 9.534 13 HA ALA 3 HA ALA 3 14.652 -3.560 7.805 14 HB1 ALA 3 HB1 ALA 3 13.450 -5.679 7.924 15 HB2 ALA 3 HB2 ALA 3 15.194 -5.990 7.814 16 HB3 ALA 3 HB3 ALA 3 14.358 -6.163 9.367 17 H LEU 4 H LEU 4 14.230 -4.631 11.221 18 HA LEU 4 HA LEU 4 11.743 -3.635 11.764 19 HB2 LEU 4 HB2 LEU 4 13.385 -4.928 13.277 20 HB3 LEU 4 HB3 LEU 4 14.108 -3.381 13.668 21 HG LEU 4 HG LEU 4 11.740 -2.663 14.480 22 HD11 LEU 4 HD11 LEU 4 11.450 -5.692 14.498 23 HD12 LEU 4 HD12 LEU 4 10.315 -4.517 15.208 24 HD13 LEU 4 HD13 LEU 4 10.547 -4.598 13.446 25 HD21 LEU 4 HD21 LEU 4 12.071 -3.747 16.667 26 HD22 LEU 4 HD22 LEU 4 13.268 -4.850 15.943 27 HD23 LEU 4 HD23 LEU 4 13.583 -3.102 16.024 28 H ALA 5 H ALA 5 14.610 -1.623 11.368 29 HA ALA 5 HA ALA 5 13.269 0.844 12.280 30 HB1 ALA 5 HB1 ALA 5 15.686 0.563 12.725 31 HB2 ALA 5 HB2 ALA 5 16.003 0.419 10.986 32 HB3 ALA 5 HB3 ALA 5 15.374 1.940 11.652 33 H LYS 6 H LYS 6 14.577 -0.499 9.217 34 HA LYS 6 HA LYS 6 13.779 1.540 7.439 35 HB2 LYS 6 HB2 LYS 6 15.378 -0.182 6.879 36 HB3 LYS 6 HB3 LYS 6 14.128 -1.437 6.946 37 HG2 LYS 6 HG2 LYS 6 12.976 -0.532 5.045 38 HG3 LYS 6 HG3 LYS 6 13.930 0.961 5.078 39 HD2 LYS 6 HD2 LYS 6 15.923 -0.207 4.355 40 HD3 LYS 6 HD3 LYS 6 15.105 -1.788 4.478 41 HE2 LYS 6 HE2 LYS 6 13.500 -1.164 2.766 42 HE3 LYS 6 HE3 LYS 6 14.107 0.498 2.732 43 HZ1 LYS 6 HZ1 LYS 6 15.962 -1.702 2.090 44 HZ2 LYS 6 HZ2 LYS 6 14.901 -1.166 0.929 45 HZ3 LYS 6 HZ3 LYS 6 15.993 -0.147 1.605 46 H LEU 7 H LEU 7 11.804 -1.201 8.567 47 HA LEU 7 HA LEU 7 9.647 -0.971 6.780 48 HB2 LEU 7 HB2 LEU 7 10.096 -2.044 9.532 49 HB3 LEU 7 HB3 LEU 7 8.427 -1.676 9.155 50 HG LEU 7 HG LEU 7 8.855 -3.996 8.795 51 HD11 LEU 7 HD11 LEU 7 8.496 -2.679 6.082 52 HD12 LEU 7 HD12 LEU 7 7.931 -4.276 6.606 53 HD13 LEU 7 HD13 LEU 7 7.248 -2.819 7.346 54 HD21 LEU 7 HD21 LEU 7 11.163 -4.143 8.269 55 HD22 LEU 7 HD22 LEU 7 10.269 -4.805 6.902 56 HD23 LEU 7 HD23 LEU 7 10.975 -3.176 6.781 57 H ILE 8 H ILE 8 10.190 1.053 9.695 58 HA ILE 8 HA ILE 8 7.658 2.506 9.309 59 HB ILE 8 HB ILE 8 10.013 2.956 11.158 60 HG12 ILE 8 HG12 ILE 8 8.691 1.015 11.762 61 HG13 ILE 8 HG13 ILE 8 8.449 2.301 12.929 62 HG21 ILE 8 HG21 ILE 8 7.462 4.593 10.876 63 HG22 ILE 8 HG22 ILE 8 8.471 4.594 12.336 64 HG23 ILE 8 HG23 ILE 8 9.145 5.152 10.807 65 HD11 ILE 8 HD11 ILE 8 6.484 1.381 10.794 66 HD12 ILE 8 HD12 ILE 8 6.323 1.268 12.550 67 HD13 ILE 8 HD13 ILE 8 6.248 2.850 11.774 68 H SER 9 H SER 9 11.024 2.943 8.282 69 HA SER 9 HA SER 9 10.665 5.672 7.355 70 HB2 SER 9 HB2 SER 9 12.719 3.598 6.498 71 HB3 SER 9 HB3 SER 9 12.796 5.349 6.251 72 HG SER 9 HG SER 9 13.992 4.955 8.022 73 H LEU 10 H LEU 10 10.014 2.513 6.024 74 HA LEU 10 HA LEU 10 9.912 3.056 3.259 75 HB2 LEU 10 HB2 LEU 10 9.859 0.846 4.838 76 HB3 LEU 10 HB3 LEU 10 8.141 0.991 4.542 77 HG LEU 10 HG LEU 10 8.750 1.021 2.016 78 HD11 LEU 10 HD11 LEU 10 11.173 1.532 2.237 79 HD12 LEU 10 HD12 LEU 10 11.397 0.049 3.194 80 HD13 LEU 10 HD13 LEU 10 10.935 -0.049 1.481 81 HD21 LEU 10 HD21 LEU 10 7.825 -0.927 3.196 82 HD22 LEU 10 HD22 LEU 10 9.036 -1.430 1.998 83 HD23 LEU 10 HD23 LEU 10 9.452 -1.400 3.730 84 H GLN 11 H GLN 11 7.624 4.015 5.638 85 HA GLN 11 HA GLN 11 5.200 3.716 4.115 86 HB2 GLN 11 HB2 GLN 11 5.926 5.035 6.721 87 HB3 GLN 11 HB3 GLN 11 4.301 5.199 6.040 88 HG2 GLN 11 HG2 GLN 11 4.084 2.770 5.829 89 HG3 GLN 11 HG3 GLN 11 5.669 2.558 6.596 90 HE21 GLN 11 HE22 GLN 11 5.121 1.765 8.647 91 HE22 GLN 11 HE21 GLN 11 3.891 2.594 9.608 92 H ALA 12 H ALA 12 3.958 5.207 2.978 93 HA ALA 12 HA ALA 12 5.465 7.420 1.748 94 HB1 ALA 12 HB1 ALA 12 2.769 6.186 1.069 95 HB2 ALA 12 HB2 ALA 12 3.666 7.355 0.080 96 HB3 ALA 12 HB3 ALA 12 4.333 5.732 0.348 97 H THR 13 H THR 13 4.268 9.491 1.237 98 HA THR 13 HA THR 13 3.189 10.545 3.805 99 HB THR 13 HB THR 13 3.888 12.171 1.343 100 HG1 THR 13 HG1 THR 13 5.690 10.915 1.818 101 HG21 THR 13 HG21 THR 13 4.462 13.878 3.082 102 HG22 THR 13 HG22 THR 13 2.768 13.389 3.169 103 HG23 THR 13 HG23 THR 13 3.936 12.744 4.343 104 H GLU 14 H GLU 14 2.123 10.376 0.389 105 HA GLU 14 HA GLU 14 -0.533 11.402 1.317 106 HB2 GLU 14 HB2 GLU 14 -0.769 12.611 -0.776 107 HB3 GLU 14 HB3 GLU 14 0.615 13.188 0.150 108 HG2 GLU 14 HG2 GLU 14 2.143 12.215 -1.389 109 HG3 GLU 14 HG3 GLU 14 0.909 11.132 -2.053 110 H ALA 15 H ALA 15 -2.398 11.012 0.026 111 HA ALA 15 HA ALA 15 -2.335 8.671 -1.767 112 HB1 ALA 15 HB1 ALA 15 -4.198 8.926 0.636 113 HB2 ALA 15 HB2 ALA 15 -4.245 7.647 -0.599 114 HB3 ALA 15 HB3 ALA 15 -2.849 7.776 0.495 115 H THR 16 H THR 16 -3.930 8.680 -3.274 116 HA THR 16 HA THR 16 -5.508 11.208 -3.567 117 HB THR 16 HB THR 16 -4.673 9.250 -5.705 118 HG1 THR 16 HG1 THR 16 -3.031 10.645 -4.784 119 HG21 THR 16 HG21 THR 16 -6.795 10.356 -6.326 120 HG22 THR 16 HG22 THR 16 -6.122 11.938 -5.865 121 HG23 THR 16 HG23 THR 16 -5.460 11.040 -7.247 122 H ILE 17 H ILE 17 -7.568 11.155 -2.951 123 HA ILE 17 HA ILE 17 -9.101 8.613 -2.851 124 HB ILE 17 HB ILE 17 -9.955 11.351 -1.810 125 HG12 ILE 17 HG12 ILE 17 -8.424 9.204 -0.275 126 HG13 ILE 17 HG13 ILE 17 -7.853 10.825 -0.665 127 HG21 ILE 17 HG21 ILE 17 -10.834 8.519 -1.076 128 HG22 ILE 17 HG22 ILE 17 -11.543 10.030 -0.467 129 HG23 ILE 17 HG23 ILE 17 -11.732 9.611 -2.150 130 HD11 ILE 17 HD11 ILE 17 -8.538 10.749 1.648 131 HD12 ILE 17 HD12 ILE 17 -9.657 11.796 0.749 132 HD13 ILE 17 HD13 ILE 17 -10.134 10.147 1.226 133 H VAL 18 H VAL 18 -10.761 8.213 -4.286 134 HA VAL 18 HA VAL 18 -11.674 10.512 -5.982 135 HB VAL 18 HB VAL 18 -11.260 7.695 -6.964 136 HG11 VAL 18 HG11 VAL 18 -12.125 10.258 -8.381 137 HG12 VAL 18 HG12 VAL 18 -11.661 8.746 -9.192 138 HG13 VAL 18 HG13 VAL 18 -13.097 8.779 -8.174 139 HG21 VAL 18 HG21 VAL 18 -9.103 8.645 -6.670 140 HG22 VAL 18 HG22 VAL 18 -9.498 8.972 -8.363 141 HG23 VAL 18 HG23 VAL 18 -9.645 10.256 -7.170 142 H THR 19 H THR 19 -13.676 10.844 -6.400 143 HA THR 19 HA THR 19 -15.809 9.238 -5.017 144 HB THR 19 HB THR 19 -15.557 12.268 -5.255 145 HG1 THR 19 HG1 THR 19 -14.128 11.612 -3.766 146 HG21 THR 19 HG21 THR 19 -17.384 12.300 -3.571 147 HG22 THR 19 HG22 THR 19 -17.917 11.611 -5.100 148 HG23 THR 19 HG23 THR 19 -17.552 10.536 -3.732 149 H LEU 20 H LEU 20 -17.707 8.923 -6.122 150 HA LEU 20 HA LEU 20 -17.888 9.955 -8.908 151 HB2 LEU 20 HB2 LEU 20 -19.615 7.830 -7.604 152 HB3 LEU 20 HB3 LEU 20 -19.549 8.276 -9.291 153 HG LEU 20 HG LEU 20 -17.220 7.015 -7.768 154 HD11 LEU 20 HD11 LEU 20 -19.163 5.755 -9.738 155 HD12 LEU 20 HD12 LEU 20 -17.741 4.982 -9.012 156 HD13 LEU 20 HD13 LEU 20 -19.106 5.463 -7.994 157 HD21 LEU 20 HD21 LEU 20 -16.448 8.357 -9.686 158 HD22 LEU 20 HD22 LEU 20 -16.266 6.634 -10.016 159 HD23 LEU 20 HD23 LEU 20 -17.607 7.536 -10.754 160 H ASP 21 H ASP 21 -18.243 12.103 -8.023 161 HA ASP 21 HA ASP 21 -20.413 12.754 -6.263 162 HB2 ASP 21 HB2 ASP 21 -18.361 14.202 -7.817 163 HB3 ASP 21 HB3 ASP 21 -19.866 15.094 -7.704 164 H SER 22 H SER 22 -20.587 11.840 -9.425 165 HA SER 22 HA SER 22 -23.430 12.214 -9.406 166 HB2 SER 22 HB2 SER 22 -22.038 13.431 -11.813 167 HB3 SER 22 HB3 SER 22 -23.780 13.221 -11.593 168 HG SER 22 HG SER 22 -22.716 14.436 -9.441 169 H ASP 23 H ASP 23 -24.386 10.704 -10.310 170 HA ASP 23 HA ASP 23 -24.307 8.332 -10.366 171 HB2 ASP 23 HB2 ASP 23 -26.083 9.641 -11.530 172 HB3 ASP 23 HB3 ASP 23 -25.211 9.441 -13.051 173 H ASN 24 H ASN 24 -21.805 8.149 -10.453 174 HA ASN 24 HA ASN 24 -19.908 7.171 -11.225 175 HB2 ASN 24 HB2 ASN 24 -21.652 5.265 -11.631 176 HB3 ASN 24 HB3 ASN 24 -21.409 5.620 -13.340 177 HD21 ASN 24 HD22 ASN 24 -18.596 5.933 -13.378 178 HD22 ASN 24 HD21 ASN 24 -18.018 4.304 -12.969 179 H ILE 25 H ILE 25 -21.748 9.160 -13.283 180 HA ILE 25 HA ILE 25 -20.061 9.399 -15.554 181 HB ILE 25 HB ILE 25 -21.666 11.355 -15.923 182 HG12 ILE 25 HG12 ILE 25 -23.165 10.320 -13.556 183 HG13 ILE 25 HG13 ILE 25 -22.211 11.807 -13.580 184 HG21 ILE 25 HG21 ILE 25 -21.882 9.062 -16.871 185 HG22 ILE 25 HG22 ILE 25 -22.868 8.608 -15.469 186 HG23 ILE 25 HG23 ILE 25 -23.433 9.856 -16.590 187 HD11 ILE 25 HD11 ILE 25 -24.527 12.362 -13.902 188 HD12 ILE 25 HD12 ILE 25 -23.660 12.672 -15.418 189 HD13 ILE 25 HD13 ILE 25 -24.685 11.224 -15.247 190 H LEU 26 H LEU 26 -19.889 10.949 -12.450 191 HA LEU 26 HA LEU 26 -17.983 12.949 -13.625 192 HB2 LEU 26 HB2 LEU 26 -20.072 14.009 -12.980 193 HB3 LEU 26 HB3 LEU 26 -19.858 13.457 -11.315 194 HG LEU 26 HG LEU 26 -17.492 14.877 -12.480 195 HD11 LEU 26 HD11 LEU 26 -19.277 16.167 -13.481 196 HD12 LEU 26 HD12 LEU 26 -20.078 16.342 -11.893 197 HD13 LEU 26 HD13 LEU 26 -18.487 17.087 -12.183 198 HD21 LEU 26 HD21 LEU 26 -17.620 14.237 -10.072 199 HD22 LEU 26 HD22 LEU 26 -17.464 15.983 -10.299 200 HD23 LEU 26 HD23 LEU 26 -19.047 15.290 -9.903 201 H LEU 27 H LEU 27 -16.102 12.670 -13.013 202 HA LEU 27 HA LEU 27 -15.410 11.222 -10.466 203 HB2 LEU 27 HB2 LEU 27 -13.874 11.602 -13.047 204 HB3 LEU 27 HB3 LEU 27 -13.059 11.216 -11.535 205 HG LEU 27 HG LEU 27 -14.393 9.160 -11.273 206 HD11 LEU 27 HD11 LEU 27 -15.599 8.236 -13.274 207 HD12 LEU 27 HD12 LEU 27 -16.435 9.580 -12.513 208 HD13 LEU 27 HD13 LEU 27 -15.520 9.847 -14.022 209 HD21 LEU 27 HD21 LEU 27 -12.198 9.118 -12.384 210 HD22 LEU 27 HD22 LEU 27 -13.275 7.889 -13.052 211 HD23 LEU 27 HD23 LEU 27 -12.977 9.390 -13.959 212 H SER 28 H SER 28 -14.687 12.270 -8.786 213 HA SER 28 HA SER 28 -13.396 14.953 -9.075 214 HB2 SER 28 HB2 SER 28 -15.695 15.158 -8.121 215 HB3 SER 28 HB3 SER 28 -15.223 14.050 -6.816 216 HG SER 28 HG SER 28 -14.826 16.059 -6.020 217 H GLU 29 H GLU 29 -11.298 14.908 -8.316 218 HA GLU 29 HA GLU 29 -10.464 12.534 -6.717 219 HB2 GLU 29 HB2 GLU 29 -8.811 14.056 -8.733 220 HB3 GLU 29 HB3 GLU 29 -8.413 12.541 -7.909 221 HG2 GLU 29 HG2 GLU 29 -10.132 11.344 -9.132 222 HG3 GLU 29 HG3 GLU 29 -10.729 12.819 -9.876 223 H GLU 30 H GLU 30 -9.104 12.889 -4.957 224 HA GLU 30 HA GLU 30 -8.338 15.702 -4.256 225 HB2 GLU 30 HB2 GLU 30 -9.527 13.600 -2.408 226 HB3 GLU 30 HB3 GLU 30 -9.010 15.210 -1.932 227 HG2 GLU 30 HG2 GLU 30 -11.274 14.698 -3.902 228 HG3 GLU 30 HG3 GLU 30 -11.482 14.736 -2.164 229 H GLN 31 H GLN 31 -6.224 15.869 -3.494 230 HA GLN 31 HA GLN 31 -4.845 13.341 -2.692 231 HB2 GLN 31 HB2 GLN 31 -3.487 15.990 -3.201 232 HB3 GLN 31 HB3 GLN 31 -2.771 14.374 -3.041 233 HG2 GLN 31 HG2 GLN 31 -4.157 13.752 -5.132 234 HG3 GLN 31 HG3 GLN 31 -4.260 15.513 -5.412 235 HE21 GLN 31 HE22 GLN 31 -2.474 12.709 -5.588 236 HE22 GLN 31 HE21 GLN 31 -1.046 13.346 -4.971 237 H VAL 32 H VAL 32 -4.261 12.994 -0.658 238 HA VAL 32 HA VAL 32 -4.391 15.194 1.358 239 HB VAL 32 HB VAL 32 -5.630 13.849 2.879 240 HG11 VAL 32 HG11 VAL 32 -7.151 13.772 0.254 241 HG12 VAL 32 HG12 VAL 32 -7.826 13.780 1.891 242 HG13 VAL 32 HG13 VAL 32 -6.956 15.206 1.296 243 HG21 VAL 32 HG21 VAL 32 -6.630 11.692 2.379 244 HG22 VAL 32 HG22 VAL 32 -5.888 11.675 0.760 245 HG23 VAL 32 HG23 VAL 32 -4.885 11.560 2.220 246 H ASP 33 H ASP 33 -3.437 14.643 3.381 247 HA ASP 33 HA ASP 33 -0.955 13.037 3.220 248 HB2 ASP 33 HB2 ASP 33 -2.320 14.481 5.540 249 HB3 ASP 33 HB3 ASP 33 -0.861 13.520 5.730 250 H VAL 34 H VAL 34 -0.620 11.028 4.169 251 HA VAL 34 HA VAL 34 -2.754 9.218 4.147 252 HB VAL 34 HB VAL 34 -0.331 8.801 3.685 253 HG11 VAL 34 HG11 VAL 34 -0.144 8.319 6.688 254 HG12 VAL 34 HG12 VAL 34 1.093 7.959 5.477 255 HG13 VAL 34 HG13 VAL 34 0.639 9.640 5.788 256 HG21 VAL 34 HG21 VAL 34 -2.020 6.983 3.700 257 HG22 VAL 34 HG22 VAL 34 -0.389 6.455 4.146 258 HG23 VAL 34 HG23 VAL 34 -1.617 6.652 5.399 259 H GLU 35 H GLU 35 -2.253 11.250 6.676 260 HA GLU 35 HA GLU 35 -3.464 9.653 8.830 261 HB2 GLU 35 HB2 GLU 35 -3.254 12.602 8.607 262 HB3 GLU 35 HB3 GLU 35 -3.490 11.656 10.069 263 HG2 GLU 35 HG2 GLU 35 -1.197 10.671 9.700 264 HG3 GLU 35 HG3 GLU 35 -0.955 11.856 8.396 265 H LEU 36 H LEU 36 -4.688 11.452 6.131 266 HA LEU 36 HA LEU 36 -7.283 12.072 7.440 267 HB2 LEU 36 HB2 LEU 36 -6.099 13.119 4.864 268 HB3 LEU 36 HB3 LEU 36 -7.387 13.851 5.815 269 HG LEU 36 HG LEU 36 -4.426 13.677 6.592 270 HD11 LEU 36 HD11 LEU 36 -6.170 16.033 5.833 271 HD12 LEU 36 HD12 LEU 36 -4.463 16.099 6.340 272 HD13 LEU 36 HD13 LEU 36 -4.897 15.287 4.826 273 HD21 LEU 36 HD21 LEU 36 -5.071 15.178 8.469 274 HD22 LEU 36 HD22 LEU 36 -6.783 14.928 8.036 275 HD23 LEU 36 HD23 LEU 36 -5.791 13.575 8.622 276 H VAL 37 H VAL 37 -6.134 9.812 5.313 277 HA VAL 37 HA VAL 37 -8.682 9.350 3.881 278 HB VAL 37 HB VAL 37 -6.562 9.045 2.690 279 HG11 VAL 37 HG11 VAL 37 -5.990 6.724 4.579 280 HG12 VAL 37 HG12 VAL 37 -5.057 7.177 3.139 281 HG13 VAL 37 HG13 VAL 37 -5.102 8.259 4.536 282 HG21 VAL 37 HG21 VAL 37 -8.557 7.724 2.048 283 HG22 VAL 37 HG22 VAL 37 -7.019 6.929 1.659 284 HG23 VAL 37 HG23 VAL 37 -7.969 6.375 3.047 285 H GLN 38 H GLN 38 -9.956 7.487 4.262 286 HA GLN 38 HA GLN 38 -9.362 5.982 6.766 287 HB2 GLN 38 HB2 GLN 38 -11.629 5.980 7.455 288 HB3 GLN 38 HB3 GLN 38 -11.168 7.633 7.122 289 HG2 GLN 38 HG2 GLN 38 -12.527 7.685 5.134 290 HG3 GLN 38 HG3 GLN 38 -12.721 5.920 5.127 291 HE21 GLN 38 HE22 GLN 38 -13.366 8.726 7.282 292 HE22 GLN 38 HE21 GLN 38 -14.854 7.953 7.851 293 H ARG 39 H ARG 39 -10.339 3.938 7.021 294 HA ARG 39 HA ARG 39 -9.825 2.230 4.703 295 HB2 ARG 39 HB2 ARG 39 -9.998 0.400 6.228 296 HB3 ARG 39 HB3 ARG 39 -8.985 1.675 6.908 297 HG2 ARG 39 HG2 ARG 39 -11.416 2.307 7.994 298 HG3 ARG 39 HG3 ARG 39 -11.619 0.574 7.824 299 HD2 ARG 39 HD2 ARG 39 -9.550 0.184 9.128 300 HD3 ARG 39 HD3 ARG 39 -9.262 1.939 9.207 301 HE ARG 39 HE ARG 39 -11.847 1.448 10.275 302 HH11 ARG 39 HH11 ARG 39 -8.565 0.503 11.245 303 HH12 ARG 39 HH12 ARG 39 -8.970 0.777 12.927 304 HH21 ARG 39 HH21 ARG 39 -12.174 1.653 12.501 305 HH22 ARG 39 HH22 ARG 39 -10.861 1.208 13.575 306 H GLY 40 H GLY 40 -11.820 3.696 3.885 307 HA2 GLY 40 HA2 GLY 40 -14.012 1.833 3.358 308 HA3 GLY 40 HA3 GLY 40 -14.466 3.226 4.348 309 H ASP 41 H ASP 41 -11.960 3.587 1.845 310 HA ASP 41 HA ASP 41 -13.856 4.798 -0.078 311 HB2 ASP 41 HB2 ASP 41 -11.503 6.109 1.293 312 HB3 ASP 41 HB3 ASP 41 -11.821 6.484 -0.394 313 H ILE 42 H ILE 42 -12.591 5.294 -2.135 314 HA ILE 42 HA ILE 42 -10.944 2.930 -2.950 315 HB ILE 42 HB ILE 42 -12.777 4.620 -4.662 316 HG12 ILE 42 HG12 ILE 42 -14.151 3.219 -3.260 317 HG13 ILE 42 HG13 ILE 42 -14.134 2.593 -4.898 318 HG21 ILE 42 HG21 ILE 42 -11.031 2.206 -5.331 319 HG22 ILE 42 HG22 ILE 42 -12.296 2.870 -6.394 320 HG23 ILE 42 HG23 ILE 42 -10.898 3.854 -5.982 321 HD11 ILE 42 HD11 ILE 42 -12.526 0.809 -4.202 322 HD12 ILE 42 HD12 ILE 42 -12.619 1.429 -2.533 323 HD13 ILE 42 HD13 ILE 42 -14.054 0.760 -3.308 324 H ILE 43 H ILE 43 -8.851 3.404 -3.313 325 HA ILE 43 HA ILE 43 -8.023 6.180 -3.852 326 HB ILE 43 HB ILE 43 -6.546 3.797 -2.668 327 HG12 ILE 43 HG12 ILE 43 -8.321 4.256 -1.125 328 HG13 ILE 43 HG13 ILE 43 -6.814 4.827 -0.446 329 HG21 ILE 43 HG21 ILE 43 -5.018 5.478 -3.576 330 HG22 ILE 43 HG22 ILE 43 -5.815 6.753 -2.639 331 HG23 ILE 43 HG23 ILE 43 -4.935 5.451 -1.817 332 HD11 ILE 43 HD11 ILE 43 -8.915 6.620 -1.750 333 HD12 ILE 43 HD12 ILE 43 -8.697 6.371 -0.022 334 HD13 ILE 43 HD13 ILE 43 -7.415 7.160 -0.965 335 H LYS 44 H LYS 44 -7.153 6.648 -5.795 336 HA LYS 44 HA LYS 44 -6.404 4.475 -7.629 337 HB2 LYS 44 HB2 LYS 44 -6.725 7.444 -8.080 338 HB3 LYS 44 HB3 LYS 44 -6.251 6.259 -9.310 339 HG2 LYS 44 HG2 LYS 44 -8.342 4.917 -8.657 340 HG3 LYS 44 HG3 LYS 44 -8.844 6.321 -7.712 341 HD2 LYS 44 HD2 LYS 44 -9.969 6.495 -9.762 342 HD3 LYS 44 HD3 LYS 44 -8.638 7.674 -9.865 343 HE2 LYS 44 HE2 LYS 44 -7.334 6.204 -11.253 344 HE3 LYS 44 HE3 LYS 44 -8.488 4.877 -11.015 345 HZ1 LYS 44 HZ1 LYS 44 -10.129 6.083 -12.228 346 HZ2 LYS 44 HZ2 LYS 44 -9.216 7.426 -12.323 347 HZ3 LYS 44 HZ3 LYS 44 -8.746 6.082 -13.156 348 H VAL 45 H VAL 45 -4.473 3.945 -8.416 349 HA VAL 45 HA VAL 45 -2.085 5.508 -7.537 350 HB VAL 45 HB VAL 45 -2.592 3.215 -6.495 351 HG11 VAL 45 HG11 VAL 45 -1.429 2.220 -9.137 352 HG12 VAL 45 HG12 VAL 45 -1.779 1.255 -7.693 353 HG13 VAL 45 HG13 VAL 45 -3.104 2.035 -8.583 354 HG21 VAL 45 HG21 VAL 45 -0.238 2.613 -6.340 355 HG22 VAL 45 HG22 VAL 45 0.162 3.606 -7.756 356 HG23 VAL 45 HG23 VAL 45 -0.410 4.369 -6.259 357 H VAL 46 H VAL 46 -0.353 5.791 -8.931 358 HA VAL 46 HA VAL 46 -0.608 4.796 -11.740 359 HB VAL 46 HB VAL 46 0.563 6.770 -12.467 360 HG11 VAL 46 HG11 VAL 46 -1.673 7.653 -10.623 361 HG12 VAL 46 HG12 VAL 46 -1.072 8.455 -12.086 362 HG13 VAL 46 HG13 VAL 46 -1.896 6.891 -12.218 363 HG21 VAL 46 HG21 VAL 46 2.047 7.171 -10.529 364 HG22 VAL 46 HG22 VAL 46 1.164 8.614 -11.028 365 HG23 VAL 46 HG23 VAL 46 0.641 7.723 -9.586 366 HA PRO 47 HA PRO 47 3.306 2.757 -11.567 367 HB2 PRO 47 HB2 PRO 47 4.357 4.319 -13.905 368 HB3 PRO 47 HB3 PRO 47 4.224 2.547 -13.684 369 HG2 PRO 47 HG2 PRO 47 2.506 3.923 -15.290 370 HG3 PRO 47 HG3 PRO 47 1.960 2.549 -14.289 371 HD2 PRO 47 HD2 PRO 47 1.672 5.486 -13.764 372 HD3 PRO 47 HD3 PRO 47 0.490 4.169 -13.504 373 H GLY 48 H GLY 48 4.873 3.069 -10.184 374 HA2 GLY 48 HA2 GLY 48 6.805 3.980 -9.167 375 HA3 GLY 48 HA3 GLY 48 6.573 5.484 -10.056 376 H GLY 49 H GLY 49 3.601 5.396 -8.943 377 HA2 GLY 49 HA2 GLY 49 4.028 7.303 -6.944 378 HA3 GLY 49 HA3 GLY 49 2.490 6.556 -7.361 379 H LYS 50 H LYS 50 4.145 3.986 -6.404 380 HA LYS 50 HA LYS 50 4.167 2.567 -4.610 381 HB2 LYS 50 HB2 LYS 50 4.527 5.108 -2.996 382 HB3 LYS 50 HB3 LYS 50 4.757 3.472 -2.385 383 HG2 LYS 50 HG2 LYS 50 6.622 3.060 -3.776 384 HG3 LYS 50 HG3 LYS 50 6.360 4.519 -4.745 385 HD2 LYS 50 HD2 LYS 50 6.885 5.968 -2.919 386 HD3 LYS 50 HD3 LYS 50 6.926 4.638 -1.756 387 HE2 LYS 50 HE2 LYS 50 8.906 3.701 -2.708 388 HE3 LYS 50 HE3 LYS 50 8.792 4.728 -4.152 389 HZ1 LYS 50 HZ1 LYS 50 10.462 5.551 -2.620 390 HZ2 LYS 50 HZ2 LYS 50 9.235 6.639 -2.739 391 HZ3 LYS 50 HZ3 LYS 50 9.378 5.675 -1.409 392 H PHE 51 H PHE 51 3.124 1.660 -2.780 393 HA PHE 51 HA PHE 51 0.235 2.328 -2.645 394 HB2 PHE 51 HB2 PHE 51 1.809 -0.059 -1.652 395 HB3 PHE 51 HB3 PHE 51 0.089 0.177 -1.394 396 HD1 PHE 51 HD1 PHE 51 -1.520 0.137 -3.318 397 HD2 PHE 51 HD2 PHE 51 2.655 -0.811 -3.798 398 HE1 PHE 51 HE1 PHE 51 -2.011 -0.959 -5.492 399 HE2 PHE 51 HE2 PHE 51 2.168 -1.887 -5.964 400 HZ PHE 51 HZ PHE 51 -0.170 -1.969 -6.826 401 HA PRO 52 HA PRO 52 1.333 4.190 1.350 402 HB2 PRO 52 HB2 PRO 52 -0.800 5.815 1.728 403 HB3 PRO 52 HB3 PRO 52 0.410 6.121 0.449 404 HG2 PRO 52 HG2 PRO 52 -2.294 4.787 0.171 405 HG3 PRO 52 HG3 PRO 52 -1.578 6.071 -0.852 406 HD2 PRO 52 HD2 PRO 52 -1.479 3.390 -1.498 407 HD3 PRO 52 HD3 PRO 52 -0.216 4.563 -1.976 408 H VAL 53 H VAL 53 -1.179 1.909 0.849 409 HA VAL 53 HA VAL 53 -1.588 1.390 3.694 410 HB VAL 53 HB VAL 53 -4.062 1.338 3.477 411 HG11 VAL 53 HG11 VAL 53 -2.886 4.129 3.168 412 HG12 VAL 53 HG12 VAL 53 -4.406 3.675 3.970 413 HG13 VAL 53 HG13 VAL 53 -2.854 3.168 4.658 414 HG21 VAL 53 HG21 VAL 53 -5.181 2.695 1.799 415 HG22 VAL 53 HG22 VAL 53 -3.634 3.084 1.028 416 HG23 VAL 53 HG23 VAL 53 -4.243 1.411 1.008 417 H ASP 54 H ASP 54 -3.066 -0.668 3.910 418 HA ASP 54 HA ASP 54 -2.451 -2.485 1.640 419 HB2 ASP 54 HB2 ASP 54 -1.929 -4.210 2.924 420 HB3 ASP 54 HB3 ASP 54 -1.259 -2.905 3.874 421 H GLY 55 H GLY 55 -3.909 -3.993 0.894 422 HA2 GLY 55 HA2 GLY 55 -6.574 -4.411 1.664 423 HA3 GLY 55 HA3 GLY 55 -6.589 -2.895 0.765 424 H ARG 56 H ARG 56 -7.994 -3.993 -0.677 425 HA ARG 56 HA ARG 56 -6.706 -5.938 -2.556 426 HB2 ARG 56 HB2 ARG 56 -8.736 -6.670 -1.268 427 HB3 ARG 56 HB3 ARG 56 -9.686 -5.511 -2.203 428 HG2 ARG 56 HG2 ARG 56 -9.118 -6.699 -4.292 429 HG3 ARG 56 HG3 ARG 56 -8.019 -7.756 -3.403 430 HD2 ARG 56 HD2 ARG 56 -9.980 -9.003 -3.850 431 HD3 ARG 56 HD3 ARG 56 -9.919 -8.686 -2.127 432 HE ARG 56 HE ARG 56 -11.907 -7.778 -4.078 433 HH11 ARG 56 HH11 ARG 56 -10.986 -7.754 -0.676 434 HH12 ARG 56 HH12 ARG 56 -12.388 -6.775 -0.257 435 HH21 ARG 56 HH21 ARG 56 -13.725 -6.620 -3.388 436 HH22 ARG 56 HH22 ARG 56 -13.985 -6.495 -1.681 437 H VAL 57 H VAL 57 -6.699 -5.743 -4.675 438 HA VAL 57 HA VAL 57 -7.218 -3.122 -5.998 439 HB VAL 57 HB VAL 57 -5.683 -5.615 -6.895 440 HG11 VAL 57 HG11 VAL 57 -6.025 -2.911 -8.248 441 HG12 VAL 57 HG12 VAL 57 -4.887 -4.181 -8.767 442 HG13 VAL 57 HG13 VAL 57 -6.611 -4.481 -8.843 443 HG21 VAL 57 HG21 VAL 57 -4.563 -2.904 -6.106 444 HG22 VAL 57 HG22 VAL 57 -4.461 -4.385 -5.131 445 HG23 VAL 57 HG23 VAL 57 -3.648 -4.307 -6.694 446 H ILE 58 H ILE 58 -9.007 -3.048 -7.374 447 HA ILE 58 HA ILE 58 -10.037 -5.621 -8.529 448 HB ILE 58 HB ILE 58 -12.414 -4.715 -8.013 449 HG12 ILE 58 HG12 ILE 58 -10.944 -3.372 -5.719 450 HG13 ILE 58 HG13 ILE 58 -11.430 -2.474 -7.172 451 HG21 ILE 58 HG21 ILE 58 -10.782 -5.791 -5.693 452 HG22 ILE 58 HG22 ILE 58 -12.529 -5.934 -5.942 453 HG23 ILE 58 HG23 ILE 58 -11.427 -6.768 -7.033 454 HD11 ILE 58 HD11 ILE 58 -13.324 -3.867 -5.241 455 HD12 ILE 58 HD12 ILE 58 -13.082 -2.123 -5.453 456 HD13 ILE 58 HD13 ILE 58 -13.799 -3.074 -6.768 457 H GLU 59 H GLU 59 -8.547 -3.270 -9.596 458 HA GLU 59 HA GLU 59 -9.813 -3.435 -12.161 459 HB2 GLU 59 HB2 GLU 59 -10.654 -1.223 -10.565 460 HB3 GLU 59 HB3 GLU 59 -9.457 -0.565 -11.659 461 HG2 GLU 59 HG2 GLU 59 -11.993 -2.063 -12.360 462 HG3 GLU 59 HG3 GLU 59 -11.700 -0.343 -12.563 463 H GLY 60 H GLY 60 -8.223 -3.256 -13.712 464 HA2 GLY 60 HA2 GLY 60 -6.252 -2.575 -14.723 465 HA3 GLY 60 HA3 GLY 60 -5.778 -1.704 -13.270 466 H HIS 61 H HIS 61 -3.812 -2.713 -14.208 467 HA HIS 61 HA HIS 61 -3.095 -5.238 -12.811 468 HB2 HIS 61 HB2 HIS 61 -1.991 -6.136 -14.830 469 HB3 HIS 61 HB3 HIS 61 -3.742 -6.061 -14.941 470 HD1 HIS 61 HD1 HIS 61 -1.923 -2.809 -15.737 471 HD2 HIS 61 HD2 HIS 61 -3.484 -6.213 -17.644 472 HE1 HIS 61 HE1 HIS 61 -2.102 -2.225 -18.224 473 H SER 62 H SER 62 -1.019 -5.353 -12.066 474 HA SER 62 HA SER 62 1.005 -3.495 -13.032 475 HB2 SER 62 HB2 SER 62 -0.123 -3.239 -10.244 476 HB3 SER 62 HB3 SER 62 1.506 -2.683 -10.629 477 HG SER 62 HG SER 62 -0.569 -1.971 -12.371 478 H MET 63 H MET 63 3.138 -3.854 -12.218 479 HA MET 63 HA MET 63 3.546 -6.482 -10.903 480 HB2 MET 63 HB2 MET 63 4.477 -6.460 -13.157 481 HB3 MET 63 HB3 MET 63 5.444 -5.025 -12.779 482 HG2 MET 63 HG2 MET 63 6.824 -6.178 -11.288 483 HG3 MET 63 HG3 MET 63 5.661 -7.476 -11.020 484 HE1 MET 63 HE1 MET 63 6.079 -9.946 -13.833 485 HE2 MET 63 HE2 MET 63 5.516 -9.626 -12.178 486 HE3 MET 63 HE3 MET 63 4.770 -8.782 -13.554 487 H VAL 64 H VAL 64 4.465 -6.417 -8.995 488 HA VAL 64 HA VAL 64 5.167 -3.775 -7.830 489 HB VAL 64 HB VAL 64 3.580 -6.050 -6.590 490 HG11 VAL 64 HG11 VAL 64 4.257 -3.288 -5.485 491 HG12 VAL 64 HG12 VAL 64 3.074 -4.406 -4.785 492 HG13 VAL 64 HG13 VAL 64 4.777 -4.857 -4.828 493 HG21 VAL 64 HG21 VAL 64 2.213 -4.937 -8.242 494 HG22 VAL 64 HG22 VAL 64 1.718 -4.323 -6.662 495 HG23 VAL 64 HG23 VAL 64 2.762 -3.335 -7.707 496 H ASP 65 H ASP 65 6.829 -3.543 -6.455 497 HA ASP 65 HA ASP 65 8.674 -5.810 -5.985 498 HB2 ASP 65 HB2 ASP 65 9.419 -3.615 -6.962 499 HB3 ASP 65 HB3 ASP 65 8.962 -2.826 -5.456 500 H GLU 66 H GLU 66 7.917 -7.013 -4.293 501 HA GLU 66 HA GLU 66 7.501 -5.670 -1.660 502 HB2 GLU 66 HB2 GLU 66 5.748 -7.243 -1.092 503 HB3 GLU 66 HB3 GLU 66 5.310 -6.208 -2.444 504 HG2 GLU 66 HG2 GLU 66 5.495 -7.988 -4.016 505 HG3 GLU 66 HG3 GLU 66 6.368 -9.020 -2.876 506 H SER 67 H SER 67 9.542 -7.700 -3.186 507 HA SER 67 HA SER 67 10.147 -9.865 -1.614 508 HB2 SER 67 HB2 SER 67 12.540 -9.522 -2.180 509 HB3 SER 67 HB3 SER 67 11.477 -9.343 -3.576 510 HG SER 67 HG SER 67 13.250 -7.693 -3.027 511 H LEU 68 H LEU 68 10.725 -6.543 -0.565 512 HA LEU 68 HA LEU 68 12.278 -7.321 1.797 513 HB2 LEU 68 HB2 LEU 68 12.589 -5.216 0.541 514 HB3 LEU 68 HB3 LEU 68 10.960 -4.705 0.913 515 HG LEU 68 HG LEU 68 12.815 -3.574 2.135 516 HD11 LEU 68 HD11 LEU 68 10.907 -4.891 4.088 517 HD12 LEU 68 HD12 LEU 68 11.714 -3.328 4.217 518 HD13 LEU 68 HD13 LEU 68 10.465 -3.570 2.983 519 HD21 LEU 68 HD21 LEU 68 14.236 -5.553 2.573 520 HD22 LEU 68 HD22 LEU 68 13.900 -4.604 4.033 521 HD23 LEU 68 HD23 LEU 68 13.046 -6.130 3.761 522 H ILE 69 H ILE 69 8.886 -6.645 1.081 523 HA ILE 69 HA ILE 69 7.994 -6.320 3.822 524 HB ILE 69 HB ILE 69 6.315 -6.860 1.340 525 HG12 ILE 69 HG12 ILE 69 7.824 -4.849 0.983 526 HG13 ILE 69 HG13 ILE 69 6.108 -4.657 0.770 527 HG21 ILE 69 HG21 ILE 69 5.022 -7.158 3.337 528 HG22 ILE 69 HG22 ILE 69 5.690 -5.690 4.077 529 HG23 ILE 69 HG23 ILE 69 4.595 -5.571 2.695 530 HD11 ILE 69 HD11 ILE 69 5.879 -3.540 2.924 531 HD12 ILE 69 HD12 ILE 69 7.621 -3.768 3.248 532 HD13 ILE 69 HD13 ILE 69 7.065 -2.742 1.897 533 H THR 70 H THR 70 7.130 -8.752 1.309 534 HA THR 70 HA THR 70 6.168 -10.650 3.316 535 HB THR 70 HB THR 70 5.613 -11.961 1.160 536 HG1 THR 70 HG1 THR 70 5.472 -10.336 -0.626 537 HG21 THR 70 HG21 THR 70 3.666 -10.590 0.724 538 HG22 THR 70 HG22 THR 70 3.988 -10.555 2.460 539 HG23 THR 70 HG23 THR 70 4.436 -9.160 1.449 540 H GLY 71 H GLY 71 9.134 -10.129 1.756 541 HA2 GLY 71 HA2 GLY 71 11.148 -11.164 2.291 542 HA3 GLY 71 HA3 GLY 71 10.290 -12.519 3.045 543 H GLU 72 H GLU 72 9.512 -11.466 -0.106 544 HA GLU 72 HA GLU 72 10.196 -14.087 -1.367 545 HB2 GLU 72 HB2 GLU 72 8.822 -11.681 -2.607 546 HB3 GLU 72 HB3 GLU 72 8.979 -13.285 -3.317 547 HG2 GLU 72 HG2 GLU 72 7.357 -12.538 -0.852 548 HG3 GLU 72 HG3 GLU 72 6.730 -12.969 -2.438 549 H ALA 73 H ALA 73 10.879 -13.135 -4.023 550 HA ALA 73 HA ALA 73 13.486 -11.817 -3.600 551 HB1 ALA 73 HB1 ALA 73 13.332 -14.706 -4.540 552 HB2 ALA 73 HB2 ALA 73 14.801 -13.716 -4.343 553 HB3 ALA 73 HB3 ALA 73 13.853 -14.168 -2.925 554 H MET 74 H MET 74 10.896 -11.654 -5.393 555 HA MET 74 HA MET 74 12.208 -10.775 -7.819 556 HB2 MET 74 HB2 MET 74 11.070 -12.248 -9.317 557 HB3 MET 74 HB3 MET 74 12.013 -13.220 -8.211 558 HG2 MET 74 HG2 MET 74 9.009 -12.761 -8.010 559 HG3 MET 74 HG3 MET 74 9.767 -14.152 -8.753 560 HE1 MET 74 HE1 MET 74 11.193 -16.224 -5.828 561 HE2 MET 74 HE2 MET 74 10.805 -16.164 -7.558 562 HE3 MET 74 HE3 MET 74 12.077 -15.112 -6.892 563 HA PRO 75 HA PRO 75 8.610 -8.101 -7.848 564 HB2 PRO 75 HB2 PRO 75 8.742 -8.433 -10.841 565 HB3 PRO 75 HB3 PRO 75 8.552 -6.929 -9.878 566 HG2 PRO 75 HG2 PRO 75 10.961 -7.573 -10.934 567 HG3 PRO 75 HG3 PRO 75 10.856 -6.966 -9.248 568 HD2 PRO 75 HD2 PRO 75 11.146 -9.835 -10.187 569 HD3 PRO 75 HD3 PRO 75 11.972 -8.967 -8.862 570 H VAL 76 H VAL 76 6.430 -8.289 -7.855 571 HA VAL 76 HA VAL 76 5.240 -10.949 -8.527 572 HB VAL 76 HB VAL 76 4.659 -8.926 -6.327 573 HG11 VAL 76 HG11 VAL 76 3.317 -11.593 -6.865 574 HG12 VAL 76 HG12 VAL 76 3.120 -10.622 -5.392 575 HG13 VAL 76 HG13 VAL 76 2.538 -10.000 -6.939 576 HG21 VAL 76 HG21 VAL 76 6.688 -10.237 -5.897 577 HG22 VAL 76 HG22 VAL 76 5.398 -10.777 -4.824 578 HG23 VAL 76 HG23 VAL 76 5.822 -11.747 -6.250 579 H ALA 77 H ALA 77 3.331 -11.105 -9.692 580 HA ALA 77 HA ALA 77 2.282 -8.655 -10.935 581 HB1 ALA 77 HB1 ALA 77 1.052 -10.215 -12.355 582 HB2 ALA 77 HB2 ALA 77 2.772 -10.647 -12.288 583 HB3 ALA 77 HB3 ALA 77 1.580 -11.582 -11.353 584 H LYS 78 H LYS 78 0.478 -7.658 -10.485 585 HA LYS 78 HA LYS 78 -1.632 -8.837 -8.709 586 HB2 LYS 78 HB2 LYS 78 -0.726 -5.937 -8.760 587 HB3 LYS 78 HB3 LYS 78 -1.944 -6.635 -7.699 588 HG2 LYS 78 HG2 LYS 78 1.020 -7.337 -7.649 589 HG3 LYS 78 HG3 LYS 78 0.237 -6.122 -6.650 590 HD2 LYS 78 HD2 LYS 78 -1.169 -7.896 -5.602 591 HD3 LYS 78 HD3 LYS 78 -0.316 -9.126 -6.566 592 HE2 LYS 78 HE2 LYS 78 1.842 -8.444 -5.567 593 HE3 LYS 78 HE3 LYS 78 1.044 -7.133 -4.700 594 HZ1 LYS 78 HZ1 LYS 78 0.589 -10.022 -4.207 595 HZ2 LYS 78 HZ2 LYS 78 1.432 -8.966 -3.252 596 HZ3 LYS 78 HZ3 LYS 78 -0.201 -8.789 -3.443 597 H LYS 79 H LYS 79 -3.726 -8.346 -9.252 598 HA LYS 79 HA LYS 79 -4.407 -6.899 -11.743 599 HB2 LYS 79 HB2 LYS 79 -5.020 -8.885 -12.935 600 HB3 LYS 79 HB3 LYS 79 -3.429 -9.130 -12.307 601 HG2 LYS 79 HG2 LYS 79 -4.425 -10.417 -10.348 602 HG3 LYS 79 HG3 LYS 79 -6.011 -10.247 -11.108 603 HD2 LYS 79 HD2 LYS 79 -5.056 -12.423 -11.573 604 HD3 LYS 79 HD3 LYS 79 -5.216 -11.497 -13.080 605 HE2 LYS 79 HE2 LYS 79 -2.870 -11.013 -13.148 606 HE3 LYS 79 HE3 LYS 79 -2.633 -11.588 -11.484 607 HZ1 LYS 79 HZ1 LYS 79 -3.339 -13.302 -13.804 608 HZ2 LYS 79 HZ2 LYS 79 -1.884 -13.235 -13.082 609 HZ3 LYS 79 HZ3 LYS 79 -3.169 -13.826 -12.238 610 HA PRO 80 HA PRO 80 -8.235 -6.405 -9.664 611 HB2 PRO 80 HB2 PRO 80 -10.391 -7.200 -11.154 612 HB3 PRO 80 HB3 PRO 80 -9.372 -5.784 -11.549 613 HG2 PRO 80 HG2 PRO 80 -9.287 -8.530 -12.765 614 HG3 PRO 80 HG3 PRO 80 -9.121 -6.949 -13.568 615 HD2 PRO 80 HD2 PRO 80 -7.029 -8.608 -12.829 616 HD3 PRO 80 HD3 PRO 80 -6.846 -6.843 -13.048 617 H GLY 81 H GLY 81 -9.166 -7.309 -7.949 618 HA2 GLY 81 HA2 GLY 81 -10.077 -8.946 -6.536 619 HA3 GLY 81 HA3 GLY 81 -9.652 -10.217 -7.682 620 H SER 82 H SER 82 -6.991 -7.985 -7.013 621 HA SER 82 HA SER 82 -5.616 -10.275 -5.658 622 HB2 SER 82 HB2 SER 82 -4.762 -9.492 -7.911 623 HB3 SER 82 HB3 SER 82 -4.404 -7.931 -7.156 624 HG SER 82 HG SER 82 -3.327 -10.488 -6.489 625 H THR 83 H THR 83 -4.087 -9.773 -3.864 626 HA THR 83 HA THR 83 -4.895 -7.300 -2.401 627 HB THR 83 HB THR 83 -4.160 -8.470 -0.347 628 HG1 THR 83 HG1 THR 83 -3.995 -10.658 -0.402 629 HG21 THR 83 HG21 THR 83 -6.204 -9.792 -0.147 630 HG22 THR 83 HG22 THR 83 -6.544 -8.299 -1.027 631 HG23 THR 83 HG23 THR 83 -6.396 -9.838 -1.911 632 H VAL 84 H VAL 84 -3.482 -6.040 -1.313 633 HA VAL 84 HA VAL 84 -0.599 -6.213 -2.027 634 HB VAL 84 HB VAL 84 -0.621 -3.807 -2.648 635 HG11 VAL 84 HG11 VAL 84 -2.361 -5.542 -4.438 636 HG12 VAL 84 HG12 VAL 84 -1.439 -4.099 -4.915 637 HG13 VAL 84 HG13 VAL 84 -0.586 -5.549 -4.365 638 HG21 VAL 84 HG21 VAL 84 -2.685 -2.691 -3.312 639 HG22 VAL 84 HG22 VAL 84 -3.655 -4.079 -2.785 640 HG23 VAL 84 HG23 VAL 84 -2.761 -3.111 -1.594 641 H ILE 85 H ILE 85 0.737 -4.688 -0.905 642 HA ILE 85 HA ILE 85 -0.253 -3.851 1.758 643 HB ILE 85 HB ILE 85 2.232 -4.522 2.485 644 HG12 ILE 85 HG12 ILE 85 2.826 -6.773 1.696 645 HG13 ILE 85 HG13 ILE 85 1.549 -6.738 0.487 646 HG21 ILE 85 HG21 ILE 85 -0.118 -6.445 2.421 647 HG22 ILE 85 HG22 ILE 85 1.297 -6.530 3.497 648 HG23 ILE 85 HG23 ILE 85 0.186 -5.165 3.626 649 HD11 ILE 85 HD11 ILE 85 3.807 -6.207 -0.425 650 HD12 ILE 85 HD12 ILE 85 2.656 -4.888 -0.675 651 HD13 ILE 85 HD13 ILE 85 3.860 -4.757 0.611 652 H ALA 86 H ALA 86 0.655 -2.192 2.801 653 HA ALA 86 HA ALA 86 1.410 0.031 1.250 654 HB1 ALA 86 HB1 ALA 86 0.265 0.110 3.453 655 HB2 ALA 86 HB2 ALA 86 1.736 -0.464 4.244 656 HB3 ALA 86 HB3 ALA 86 1.717 1.124 3.439 657 H GLY 87 H GLY 87 3.341 1.178 1.033 658 HA2 GLY 87 HA2 GLY 87 5.618 1.652 1.124 659 HA3 GLY 87 HA3 GLY 87 5.869 0.297 2.225 660 H SER 88 H SER 88 4.248 -1.062 -0.315 661 HA SER 88 HA SER 88 6.685 -1.987 -1.695 662 HB2 SER 88 HB2 SER 88 5.275 -3.541 -2.857 663 HB3 SER 88 HB3 SER 88 4.978 -3.642 -1.124 664 HG SER 88 HG SER 88 3.004 -2.640 -1.409 665 H ILE 89 H ILE 89 6.847 -1.936 -4.037 666 HA ILE 89 HA ILE 89 6.049 0.778 -4.993 667 HB ILE 89 HB ILE 89 8.293 -0.789 -6.230 668 HG12 ILE 89 HG12 ILE 89 8.897 -0.898 -3.860 669 HG13 ILE 89 HG13 ILE 89 9.964 0.128 -4.788 670 HG21 ILE 89 HG21 ILE 89 9.130 1.520 -6.657 671 HG22 ILE 89 HG22 ILE 89 7.547 1.212 -7.371 672 HG23 ILE 89 HG23 ILE 89 7.673 2.176 -5.885 673 HD11 ILE 89 HD11 ILE 89 7.737 1.147 -2.975 674 HD12 ILE 89 HD12 ILE 89 9.467 1.121 -2.604 675 HD13 ILE 89 HD13 ILE 89 8.884 2.137 -3.919 676 H ASN 90 H ASN 90 4.687 0.941 -6.669 677 HA ASN 90 HA ASN 90 4.086 -1.366 -8.458 678 HB2 ASN 90 HB2 ASN 90 2.181 -0.042 -7.691 679 HB3 ASN 90 HB3 ASN 90 2.973 1.460 -8.164 680 HD21 ASN 90 HD22 ASN 90 0.608 1.423 -9.065 681 HD22 ASN 90 HD21 ASN 90 0.568 0.978 -10.772 682 H GLN 91 H GLN 91 5.140 -1.609 -10.384 683 HA GLN 91 HA GLN 91 6.396 0.774 -11.607 684 HB2 GLN 91 HB2 GLN 91 8.037 -0.652 -10.167 685 HB3 GLN 91 HB3 GLN 91 7.925 -1.834 -11.478 686 HG2 GLN 91 HG2 GLN 91 9.566 -0.578 -12.460 687 HG3 GLN 91 HG3 GLN 91 8.237 0.513 -12.895 688 HE21 GLN 91 HE22 GLN 91 7.940 2.470 -11.619 689 HE22 GLN 91 HE21 GLN 91 9.184 3.041 -10.518 690 H ASN 92 H ASN 92 4.065 -0.097 -12.519 691 HA ASN 92 HA ASN 92 4.719 -0.870 -15.254 692 HB2 ASN 92 HB2 ASN 92 4.625 -3.078 -13.884 693 HB3 ASN 92 HB3 ASN 92 2.883 -2.800 -13.805 694 HD21 ASN 92 HD22 ASN 92 2.147 -4.517 -15.197 695 HD22 ASN 92 HD21 ASN 92 2.747 -4.644 -16.831 696 H GLY 93 H GLY 93 1.898 -0.255 -13.015 697 HA2 GLY 93 HA2 GLY 93 0.451 0.901 -15.347 698 HA3 GLY 93 HA3 GLY 93 -0.182 -0.594 -14.675 699 H SER 94 H SER 94 -2.012 1.109 -14.689 700 HA SER 94 HA SER 94 -2.066 2.681 -12.133 701 HB2 SER 94 HB2 SER 94 -3.564 3.177 -14.727 702 HB3 SER 94 HB3 SER 94 -3.771 4.081 -13.223 703 HG SER 94 HG SER 94 -1.519 3.944 -14.917 704 H LEU 95 H LEU 95 -3.365 1.949 -10.586 705 HA LEU 95 HA LEU 95 -5.624 0.102 -11.253 706 HB2 LEU 95 HB2 LEU 95 -4.132 0.114 -8.658 707 HB3 LEU 95 HB3 LEU 95 -5.098 -1.151 -9.330 708 HG LEU 95 HG LEU 95 -2.326 -0.363 -10.333 709 HD11 LEU 95 HD11 LEU 95 -2.323 -1.136 -7.975 710 HD12 LEU 95 HD12 LEU 95 -3.216 -2.593 -8.455 711 HD13 LEU 95 HD13 LEU 95 -1.571 -2.311 -9.048 712 HD21 LEU 95 HD21 LEU 95 -2.494 -2.702 -11.257 713 HD22 LEU 95 HD22 LEU 95 -4.210 -2.710 -10.837 714 HD23 LEU 95 HD23 LEU 95 -3.591 -1.530 -12.022 715 H LEU 96 H LEU 96 -7.254 -0.160 -9.622 716 HA LEU 96 HA LEU 96 -7.782 2.191 -7.824 717 HB2 LEU 96 HB2 LEU 96 -9.667 0.266 -9.226 718 HB3 LEU 96 HB3 LEU 96 -10.152 1.247 -7.861 719 HG LEU 96 HG LEU 96 -9.799 3.306 -9.089 720 HD11 LEU 96 HD11 LEU 96 -8.966 1.538 -11.425 721 HD12 LEU 96 HD12 LEU 96 -9.519 3.202 -11.614 722 HD13 LEU 96 HD13 LEU 96 -8.048 2.864 -10.687 723 HD21 LEU 96 HD21 LEU 96 -11.975 2.175 -9.188 724 HD22 LEU 96 HD22 LEU 96 -11.631 3.055 -10.679 725 HD23 LEU 96 HD23 LEU 96 -11.459 1.289 -10.643 726 H ILE 97 H ILE 97 -7.381 1.728 -5.738 727 HA ILE 97 HA ILE 97 -7.634 -1.094 -4.768 728 HB ILE 97 HB ILE 97 -5.945 1.135 -3.576 729 HG12 ILE 97 HG12 ILE 97 -4.094 -0.627 -4.489 730 HG13 ILE 97 HG13 ILE 97 -5.314 -0.863 -5.735 731 HG21 ILE 97 HG21 ILE 97 -4.866 -0.674 -2.321 732 HG22 ILE 97 HG22 ILE 97 -6.596 -0.672 -1.986 733 HG23 ILE 97 HG23 ILE 97 -5.911 -1.877 -3.098 734 HD11 ILE 97 HD11 ILE 97 -3.586 0.807 -6.320 735 HD12 ILE 97 HD12 ILE 97 -5.192 1.542 -6.315 736 HD13 ILE 97 HD13 ILE 97 -4.081 1.818 -4.951 737 H CYS 98 H CYS 98 -9.097 -1.559 -3.191 738 HA CYS 98 HA CYS 98 -10.512 0.687 -1.846 739 HB2 CYS 98 HB2 CYS 98 -12.043 -1.010 -1.001 740 HB3 CYS 98 HB3 CYS 98 -11.926 -1.076 -2.763 741 HG CYS 98 HG CYS 98 -10.163 -2.907 -0.667 742 H ALA 99 H ALA 99 -9.728 1.493 0.033 743 HA ALA 99 HA ALA 99 -7.513 0.172 1.325 744 HB1 ALA 99 HB1 ALA 99 -9.121 2.648 2.091 745 HB2 ALA 99 HB2 ALA 99 -7.557 2.165 2.782 746 HB3 ALA 99 HB3 ALA 99 -7.666 2.615 1.069 747 H THR 100 H THR 100 -7.489 -1.177 3.039 748 HA THR 100 HA THR 100 -10.019 -1.525 4.625 749 HB THR 100 HB THR 100 -8.771 -3.365 2.994 750 HG1 THR 100 HG1 THR 100 -10.632 -3.948 3.453 751 HG21 THR 100 HG21 THR 100 -8.052 -4.225 5.815 752 HG22 THR 100 HG22 THR 100 -7.882 -5.153 4.318 753 HG23 THR 100 HG23 THR 100 -6.877 -3.715 4.576 754 H HIS 101 H HIS 101 -6.760 -0.525 4.961 755 HA HIS 101 HA HIS 101 -7.289 -0.163 7.844 756 HB2 HIS 101 HB2 HIS 101 -4.656 -1.129 6.659 757 HB3 HIS 101 HB3 HIS 101 -4.952 -0.703 8.342 758 HD1 HIS 101 HD1 HIS 101 -4.354 -3.691 6.588 759 HD2 HIS 101 HD2 HIS 101 -7.407 -2.378 9.154 760 HE1 HIS 101 HE1 HIS 101 -5.505 -5.792 7.467 761 H VAL 102 H VAL 102 -6.504 1.845 8.561 762 HA VAL 102 HA VAL 102 -5.395 3.734 6.577 763 HB VAL 102 HB VAL 102 -7.124 4.406 8.241 764 HG11 VAL 102 HG11 VAL 102 -4.866 4.208 10.281 765 HG12 VAL 102 HG12 VAL 102 -6.450 4.969 10.528 766 HG13 VAL 102 HG13 VAL 102 -6.360 3.233 10.248 767 HG21 VAL 102 HG21 VAL 102 -6.154 6.565 8.652 768 HG22 VAL 102 HG22 VAL 102 -4.525 5.946 8.380 769 HG23 VAL 102 HG23 VAL 102 -5.703 5.984 7.042 770 H GLY 103 H GLY 103 -3.122 4.907 7.428 771 HA2 GLY 103 HA2 GLY 103 -1.317 2.763 6.869 772 HA3 GLY 103 HA3 GLY 103 -0.887 4.393 7.300 773 H ALA 104 H ALA 104 -2.014 4.517 9.931 774 HA ALA 104 HA ALA 104 -0.034 3.154 11.512 775 HB1 ALA 104 HB1 ALA 104 -2.668 4.462 12.336 776 HB2 ALA 104 HB2 ALA 104 -1.301 4.086 13.405 777 HB3 ALA 104 HB3 ALA 104 -1.114 5.299 12.124 778 H ASP 105 H ASP 105 -3.287 2.264 10.600 779 HA ASP 105 HA ASP 105 -3.601 -0.004 12.437 780 HB2 ASP 105 HB2 ASP 105 -5.445 1.550 11.836 781 HB3 ASP 105 HB3 ASP 105 -5.331 1.018 10.160 782 H THR 106 H THR 106 -1.980 0.382 9.464 783 HA THR 106 HA THR 106 -2.803 -1.985 8.072 784 HB THR 106 HB THR 106 -0.714 -1.782 6.761 785 HG1 THR 106 HG1 THR 106 -0.113 0.503 8.271 786 HG21 THR 106 HG21 THR 106 -2.263 0.767 7.032 787 HG22 THR 106 HG22 THR 106 -1.061 0.433 5.768 788 HG23 THR 106 HG23 THR 106 -2.526 -0.561 5.901 789 H THR 107 H THR 107 -1.720 -3.924 7.605 790 HA THR 107 HA THR 107 -0.555 -5.316 9.814 791 HB THR 107 HB THR 107 -1.659 -6.382 7.892 792 HG1 THR 107 HG1 THR 107 -0.376 -7.568 9.234 793 HG21 THR 107 HG21 THR 107 -0.500 -6.880 5.842 794 HG22 THR 107 HG22 THR 107 -0.556 -5.122 6.026 795 HG23 THR 107 HG23 THR 107 0.952 -6.009 6.371 796 H LEU 108 H LEU 108 0.995 -3.375 7.298 797 HA LEU 108 HA LEU 108 3.730 -3.990 7.742 798 HB2 LEU 108 HB2 LEU 108 2.650 -2.565 5.896 799 HB3 LEU 108 HB3 LEU 108 2.441 -1.300 7.091 800 HG LEU 108 HG LEU 108 5.070 -1.534 7.419 801 HD11 LEU 108 HD11 LEU 108 4.594 -2.649 4.617 802 HD12 LEU 108 HD12 LEU 108 6.157 -2.074 5.229 803 HD13 LEU 108 HD13 LEU 108 5.375 -3.497 5.963 804 HD21 LEU 108 HD21 LEU 108 5.440 0.171 5.759 805 HD22 LEU 108 HD22 LEU 108 3.952 -0.266 4.896 806 HD23 LEU 108 HD23 LEU 108 3.862 0.449 6.525 807 H SER 109 H SER 109 1.656 -1.527 9.296 808 HA SER 109 HA SER 109 3.670 -0.579 11.153 809 HB2 SER 109 HB2 SER 109 0.667 -0.162 10.967 810 HB3 SER 109 HB3 SER 109 1.733 0.681 12.115 811 HG SER 109 HG SER 109 1.228 1.555 9.807 812 H GLN 110 H GLN 110 1.263 -3.141 11.284 813 HA GLN 110 HA GLN 110 1.361 -3.565 14.148 814 HB2 GLN 110 HB2 GLN 110 -0.469 -4.327 12.686 815 HB3 GLN 110 HB3 GLN 110 0.603 -5.420 11.867 816 HG2 GLN 110 HG2 GLN 110 -0.500 -6.814 13.313 817 HG3 GLN 110 HG3 GLN 110 1.038 -6.575 14.130 818 HE21 GLN 110 HE22 GLN 110 -2.285 -5.265 13.911 819 HE22 GLN 110 HE21 GLN 110 -2.379 -4.793 15.618 820 H ILE 111 H ILE 111 3.107 -5.091 11.389 821 HA ILE 111 HA ILE 111 4.284 -7.199 12.764 822 HB ILE 111 HB ILE 111 5.230 -5.609 10.367 823 HG12 ILE 111 HG12 ILE 111 4.258 -8.494 10.472 824 HG13 ILE 111 HG13 ILE 111 3.109 -7.175 10.443 825 HG21 ILE 111 HG21 ILE 111 6.503 -8.159 11.472 826 HG22 ILE 111 HG22 ILE 111 6.808 -7.500 9.856 827 HG23 ILE 111 HG23 ILE 111 7.296 -6.581 11.267 828 HD11 ILE 111 HD11 ILE 111 3.425 -7.964 8.187 829 HD12 ILE 111 HD12 ILE 111 4.114 -6.334 8.310 830 HD13 ILE 111 HD13 ILE 111 5.182 -7.760 8.288 831 H VAL 112 H VAL 112 5.910 -4.003 12.297 832 HA VAL 112 HA VAL 112 8.162 -4.765 13.890 833 HB VAL 112 HB VAL 112 8.814 -2.433 13.872 834 HG11 VAL 112 HG11 VAL 112 7.673 -3.133 11.144 835 HG12 VAL 112 HG12 VAL 112 9.086 -2.124 11.545 836 HG13 VAL 112 HG13 VAL 112 9.136 -3.870 11.826 837 HG21 VAL 112 HG21 VAL 112 6.652 -1.290 14.198 838 HG22 VAL 112 HG22 VAL 112 7.474 -0.717 12.752 839 HG23 VAL 112 HG23 VAL 112 6.104 -1.831 12.590 840 H LYS 113 H LYS 113 5.051 -3.664 14.929 841 HA LYS 113 HA LYS 113 5.996 -2.867 17.629 842 HB2 LYS 113 HB2 LYS 113 3.196 -3.087 16.451 843 HB3 LYS 113 HB3 LYS 113 3.552 -2.720 18.138 844 HG2 LYS 113 HG2 LYS 113 5.050 -0.782 17.216 845 HG3 LYS 113 HG3 LYS 113 4.226 -1.060 15.691 846 HD2 LYS 113 HD2 LYS 113 2.959 0.652 16.678 847 HD3 LYS 113 HD3 LYS 113 2.013 -0.808 17.038 848 HE2 LYS 113 HE2 LYS 113 3.327 -0.922 19.243 849 HE3 LYS 113 HE3 LYS 113 3.985 0.667 18.839 850 HZ1 LYS 113 HZ1 LYS 113 2.007 0.858 20.272 851 HZ2 LYS 113 HZ2 LYS 113 1.676 1.505 18.793 852 HZ3 LYS 113 HZ3 LYS 113 1.106 0.023 19.194 853 H LEU 114 H LEU 114 4.578 -5.656 15.996 854 HA LEU 114 HA LEU 114 4.159 -7.244 18.375 855 HB2 LEU 114 HB2 LEU 114 3.254 -7.373 15.852 856 HB3 LEU 114 HB3 LEU 114 4.627 -8.470 15.665 857 HG LEU 114 HG LEU 114 2.304 -8.722 17.615 858 HD11 LEU 114 HD11 LEU 114 3.067 -10.348 15.150 859 HD12 LEU 114 HD12 LEU 114 1.703 -10.677 16.235 860 HD13 LEU 114 HD13 LEU 114 1.719 -9.194 15.267 861 HD21 LEU 114 HD21 LEU 114 4.219 -9.715 18.676 862 HD22 LEU 114 HD22 LEU 114 3.256 -11.038 18.013 863 HD23 LEU 114 HD23 LEU 114 4.725 -10.505 17.158 864 H VAL 115 H VAL 115 6.771 -7.145 15.957 865 HA VAL 115 HA VAL 115 8.438 -9.136 17.202 866 HB VAL 115 HB VAL 115 9.316 -6.783 15.495 867 HG11 VAL 115 HG11 VAL 115 10.855 -9.252 16.444 868 HG12 VAL 115 HG12 VAL 115 11.385 -8.188 15.122 869 HG13 VAL 115 HG13 VAL 115 11.269 -7.551 16.759 870 HG21 VAL 115 HG21 VAL 115 8.926 -9.744 14.842 871 HG22 VAL 115 HG22 VAL 115 7.834 -8.439 14.347 872 HG23 VAL 115 HG23 VAL 115 9.481 -8.477 13.717 873 H GLU 116 H GLU 116 8.649 -5.539 17.715 874 HA GLU 116 HA GLU 116 10.434 -5.703 19.836 875 HB2 GLU 116 HB2 GLU 116 9.494 -3.696 18.465 876 HB3 GLU 116 HB3 GLU 116 8.262 -3.596 19.733 877 HG2 GLU 116 HG2 GLU 116 10.097 -3.365 21.424 878 HG3 GLU 116 HG3 GLU 116 11.289 -3.545 20.120 879 H GLU 117 H GLU 117 7.013 -6.517 20.008 880 HA GLU 117 HA GLU 117 6.884 -6.485 22.960 881 HB2 GLU 117 HB2 GLU 117 5.018 -7.386 20.735 882 HB3 GLU 117 HB3 GLU 117 4.692 -7.722 22.426 883 HG2 GLU 117 HG2 GLU 117 5.354 -4.875 21.821 884 HG3 GLU 117 HG3 GLU 117 3.887 -5.491 21.084 885 H ALA 118 H ALA 118 7.549 -8.752 20.316 886 HA ALA 118 HA ALA 118 7.348 -11.131 21.892 887 HB1 ALA 118 HB1 ALA 118 8.878 -10.648 19.306 888 HB2 ALA 118 HB2 ALA 118 8.305 -12.205 19.946 889 HB3 ALA 118 HB3 ALA 118 7.135 -10.989 19.416 890 H GLN 119 H GLN 119 10.247 -8.968 21.187 891 HA GLN 119 HA GLN 119 12.168 -10.511 22.542 892 HB2 GLN 119 HB2 GLN 119 11.818 -7.593 21.836 893 HB3 GLN 119 HB3 GLN 119 13.306 -8.270 22.516 894 HG2 GLN 119 HG2 GLN 119 12.556 -7.887 19.813 895 HG3 GLN 119 HG3 GLN 119 14.095 -8.428 20.478 896 HE21 GLN 119 HE22 GLN 119 11.061 -9.394 19.065 897 HE22 GLN 119 HE21 GLN 119 11.339 -11.090 19.317 Start of MODEL 3 1 H SER 1 H SER 1 19.302 -4.615 14.638 2 HA SER 1 HA SER 1 16.930 -3.665 16.050 3 HB2 SER 1 HB2 SER 1 18.576 -2.143 17.162 4 HB3 SER 1 HB3 SER 1 19.018 -3.854 17.270 5 HG SER 1 HG SER 1 20.673 -3.566 15.947 6 H GLU 2 H GLU 2 19.042 -2.379 13.466 7 HA GLU 2 HA GLU 2 17.561 0.156 13.339 8 HB2 GLU 2 HB2 GLU 2 19.744 -1.055 11.599 9 HB3 GLU 2 HB3 GLU 2 19.031 0.541 11.339 10 HG2 GLU 2 HG2 GLU 2 19.668 1.148 13.713 11 HG3 GLU 2 HG3 GLU 2 20.547 -0.384 13.820 12 H ALA 3 H ALA 3 17.524 -2.928 11.488 13 HA ALA 3 HA ALA 3 15.721 -2.219 9.500 14 HB1 ALA 3 HB1 ALA 3 15.797 -4.845 11.052 15 HB2 ALA 3 HB2 ALA 3 15.228 -4.595 9.392 16 HB3 ALA 3 HB3 ALA 3 16.950 -4.397 9.774 17 H LEU 4 H LEU 4 15.026 -2.656 12.944 18 HA LEU 4 HA LEU 4 12.212 -3.181 12.697 19 HB2 LEU 4 HB2 LEU 4 13.778 -3.629 14.691 20 HB3 LEU 4 HB3 LEU 4 13.703 -1.910 15.027 21 HG LEU 4 HG LEU 4 11.156 -2.154 15.237 22 HD11 LEU 4 HD11 LEU 4 11.987 -5.077 15.242 23 HD12 LEU 4 HD12 LEU 4 10.384 -4.470 15.741 24 HD13 LEU 4 HD13 LEU 4 10.910 -4.302 14.057 25 HD21 LEU 4 HD21 LEU 4 12.641 -1.982 17.185 26 HD22 LEU 4 HD22 LEU 4 11.297 -3.094 17.497 27 HD23 LEU 4 HD23 LEU 4 12.917 -3.736 17.144 28 H ALA 5 H ALA 5 14.044 -0.165 12.502 29 HA ALA 5 HA ALA 5 11.669 1.540 12.838 30 HB1 ALA 5 HB1 ALA 5 13.276 3.344 12.430 31 HB2 ALA 5 HB2 ALA 5 13.856 2.279 13.723 32 HB3 ALA 5 HB3 ALA 5 14.555 2.161 12.093 33 H LYS 6 H LYS 6 13.352 -0.235 10.298 34 HA LYS 6 HA LYS 6 13.076 1.710 8.208 35 HB2 LYS 6 HB2 LYS 6 14.796 -0.168 8.507 36 HB3 LYS 6 HB3 LYS 6 13.569 -1.281 7.891 37 HG2 LYS 6 HG2 LYS 6 13.486 -0.063 5.771 38 HG3 LYS 6 HG3 LYS 6 14.544 1.201 6.422 39 HD2 LYS 6 HD2 LYS 6 16.360 -0.508 6.700 40 HD3 LYS 6 HD3 LYS 6 15.315 -1.707 5.901 41 HE2 LYS 6 HE2 LYS 6 15.209 -0.266 3.886 42 HE3 LYS 6 HE3 LYS 6 16.181 0.963 4.701 43 HZ1 LYS 6 HZ1 LYS 6 17.971 -0.775 4.855 44 HZ2 LYS 6 HZ2 LYS 6 17.093 -1.738 3.879 45 HZ3 LYS 6 HZ3 LYS 6 17.601 -0.293 3.308 46 H LEU 7 H LEU 7 11.216 -1.194 8.991 47 HA LEU 7 HA LEU 7 9.382 -1.328 6.896 48 HB2 LEU 7 HB2 LEU 7 9.153 -1.825 9.877 49 HB3 LEU 7 HB3 LEU 7 7.756 -2.059 8.851 50 HG LEU 7 HG LEU 7 9.007 -4.128 9.449 51 HD11 LEU 7 HD11 LEU 7 7.483 -4.172 7.622 52 HD12 LEU 7 HD12 LEU 7 8.691 -3.506 6.495 53 HD13 LEU 7 HD13 LEU 7 8.895 -5.131 7.180 54 HD21 LEU 7 HD21 LEU 7 11.323 -3.340 9.231 55 HD22 LEU 7 HD22 LEU 7 11.015 -4.775 8.256 56 HD23 LEU 7 HD23 LEU 7 11.112 -3.196 7.463 57 H ILE 8 H ILE 8 9.151 0.854 9.707 58 HA ILE 8 HA ILE 8 6.666 2.103 8.839 59 HB ILE 8 HB ILE 8 8.717 2.865 10.935 60 HG12 ILE 8 HG12 ILE 8 7.549 0.785 11.451 61 HG13 ILE 8 HG13 ILE 8 7.096 2.063 12.561 62 HG21 ILE 8 HG21 ILE 8 6.027 4.170 10.369 63 HG22 ILE 8 HG22 ILE 8 6.954 4.376 11.871 64 HG23 ILE 8 HG23 ILE 8 7.630 4.929 10.344 65 HD11 ILE 8 HD11 ILE 8 4.930 2.348 11.331 66 HD12 ILE 8 HD12 ILE 8 5.393 1.002 10.259 67 HD13 ILE 8 HD13 ILE 8 5.150 0.722 11.986 68 H SER 9 H SER 9 10.082 2.792 8.240 69 HA SER 9 HA SER 9 9.679 5.543 7.353 70 HB2 SER 9 HB2 SER 9 12.016 3.634 6.998 71 HB3 SER 9 HB3 SER 9 12.023 5.360 6.599 72 HG SER 9 HG SER 9 12.795 4.562 8.777 73 H LEU 10 H LEU 10 9.711 2.359 5.719 74 HA LEU 10 HA LEU 10 9.710 3.405 3.042 75 HB2 LEU 10 HB2 LEU 10 8.718 0.796 4.252 76 HB3 LEU 10 HB3 LEU 10 8.364 1.220 2.587 77 HG LEU 10 HG LEU 10 10.877 1.539 2.207 78 HD11 LEU 10 HD11 LEU 10 10.922 -0.129 4.760 79 HD12 LEU 10 HD12 LEU 10 12.296 0.095 3.653 80 HD13 LEU 10 HD13 LEU 10 11.655 1.484 4.532 81 HD21 LEU 10 HD21 LEU 10 9.591 -0.318 1.278 82 HD22 LEU 10 HD22 LEU 10 11.155 -0.904 1.839 83 HD23 LEU 10 HD23 LEU 10 9.690 -1.198 2.815 84 H GLN 11 H GLN 11 7.102 3.429 5.432 85 HA GLN 11 HA GLN 11 4.909 3.216 3.639 86 HB2 GLN 11 HB2 GLN 11 5.059 4.455 6.384 87 HB3 GLN 11 HB3 GLN 11 3.586 4.286 5.422 88 HG2 GLN 11 HG2 GLN 11 4.100 1.798 5.221 89 HG3 GLN 11 HG3 GLN 11 5.313 2.010 6.488 90 HE21 GLN 11 HE22 GLN 11 4.348 3.246 8.564 91 HE22 GLN 11 HE21 GLN 11 2.707 2.776 8.932 92 H ALA 12 H ALA 12 3.869 4.557 2.354 93 HA ALA 12 HA ALA 12 5.254 6.768 1.323 94 HB1 ALA 12 HB1 ALA 12 2.352 5.999 0.822 95 HB2 ALA 12 HB2 ALA 12 3.429 6.886 -0.268 96 HB3 ALA 12 HB3 ALA 12 3.748 5.178 0.092 97 H THR 13 H THR 13 4.527 8.919 0.892 98 HA THR 13 HA THR 13 3.608 10.301 3.330 99 HB THR 13 HB THR 13 4.560 11.359 0.636 100 HG1 THR 13 HG1 THR 13 5.841 10.325 2.844 101 HG21 THR 13 HG21 THR 13 3.435 13.124 2.010 102 HG22 THR 13 HG22 THR 13 4.580 12.768 3.327 103 HG23 THR 13 HG23 THR 13 5.164 13.404 1.781 104 H GLU 14 H GLU 14 2.299 9.580 0.102 105 HA GLU 14 HA GLU 14 -0.151 11.148 0.727 106 HB2 GLU 14 HB2 GLU 14 -0.012 12.142 -1.515 107 HB3 GLU 14 HB3 GLU 14 1.302 12.629 -0.450 108 HG2 GLU 14 HG2 GLU 14 2.860 11.146 -1.610 109 HG3 GLU 14 HG3 GLU 14 1.540 10.441 -2.552 110 H ALA 15 H ALA 15 -1.925 10.893 -0.686 111 HA ALA 15 HA ALA 15 -2.133 8.425 -2.289 112 HB1 ALA 15 HB1 ALA 15 -2.822 7.877 0.070 113 HB2 ALA 15 HB2 ALA 15 -4.055 9.147 -0.026 114 HB3 ALA 15 HB3 ALA 15 -4.153 7.728 -1.093 115 H THR 16 H THR 16 -3.964 8.434 -3.657 116 HA THR 16 HA THR 16 -5.298 11.084 -4.139 117 HB THR 16 HB THR 16 -4.699 8.974 -6.215 118 HG1 THR 16 HG1 THR 16 -2.912 10.179 -5.272 119 HG21 THR 16 HG21 THR 16 -5.264 10.767 -7.818 120 HG22 THR 16 HG22 THR 16 -6.655 10.383 -6.807 121 HG23 THR 16 HG23 THR 16 -5.702 11.846 -6.476 122 H ILE 17 H ILE 17 -7.349 11.035 -3.365 123 HA ILE 17 HA ILE 17 -8.887 8.503 -3.226 124 HB ILE 17 HB ILE 17 -9.714 11.266 -2.259 125 HG12 ILE 17 HG12 ILE 17 -8.352 9.062 -0.670 126 HG13 ILE 17 HG13 ILE 17 -7.663 10.626 -1.086 127 HG21 ILE 17 HG21 ILE 17 -10.777 8.481 -1.600 128 HG22 ILE 17 HG22 ILE 17 -11.370 10.006 -0.903 129 HG23 ILE 17 HG23 ILE 17 -11.599 9.693 -2.602 130 HD11 ILE 17 HD11 ILE 17 -9.985 10.128 0.816 131 HD12 ILE 17 HD12 ILE 17 -8.362 10.677 1.213 132 HD13 ILE 17 HD13 ILE 17 -9.441 11.741 0.284 133 H VAL 18 H VAL 18 -10.666 7.983 -4.542 134 HA VAL 18 HA VAL 18 -11.372 10.025 -6.606 135 HB VAL 18 HB VAL 18 -11.422 8.330 -8.309 136 HG11 VAL 18 HG11 VAL 18 -8.705 8.288 -6.936 137 HG12 VAL 18 HG12 VAL 18 -9.060 8.165 -8.675 138 HG13 VAL 18 HG13 VAL 18 -9.347 9.684 -7.810 139 HG21 VAL 18 HG21 VAL 18 -11.803 6.292 -6.928 140 HG22 VAL 18 HG22 VAL 18 -10.439 6.140 -8.040 141 HG23 VAL 18 HG23 VAL 18 -10.141 6.424 -6.313 142 H THR 19 H THR 19 -13.296 10.186 -7.429 143 HA THR 19 HA THR 19 -15.533 8.387 -6.527 144 HB THR 19 HB THR 19 -15.596 11.429 -6.444 145 HG1 THR 19 HG1 THR 19 -14.458 10.796 -4.737 146 HG21 THR 19 HG21 THR 19 -17.725 11.075 -5.190 147 HG22 THR 19 HG22 THR 19 -17.840 10.543 -6.866 148 HG23 THR 19 HG23 THR 19 -17.641 9.340 -5.566 149 H LEU 20 H LEU 20 -16.996 7.895 -8.145 150 HA LEU 20 HA LEU 20 -16.769 9.278 -10.750 151 HB2 LEU 20 HB2 LEU 20 -18.465 6.911 -9.905 152 HB3 LEU 20 HB3 LEU 20 -18.595 7.737 -11.438 153 HG LEU 20 HG LEU 20 -16.211 7.273 -11.939 154 HD11 LEU 20 HD11 LEU 20 -16.330 5.539 -9.428 155 HD12 LEU 20 HD12 LEU 20 -15.106 5.368 -10.707 156 HD13 LEU 20 HD13 LEU 20 -15.174 6.849 -9.766 157 HD21 LEU 20 HD21 LEU 20 -18.075 5.859 -12.735 158 HD22 LEU 20 HD22 LEU 20 -16.581 4.935 -12.497 159 HD23 LEU 20 HD23 LEU 20 -17.895 4.838 -11.296 160 H ASP 21 H ASP 21 -17.308 11.339 -10.237 161 HA ASP 21 HA ASP 21 -19.773 12.043 -8.865 162 HB2 ASP 21 HB2 ASP 21 -17.415 13.484 -10.016 163 HB3 ASP 21 HB3 ASP 21 -18.904 14.400 -9.937 164 H SER 22 H SER 22 -19.101 11.304 -12.146 165 HA SER 22 HA SER 22 -21.906 11.497 -12.697 166 HB2 SER 22 HB2 SER 22 -20.171 12.891 -14.729 167 HB3 SER 22 HB3 SER 22 -21.911 12.620 -14.781 168 HG SER 22 HG SER 22 -21.415 13.822 -12.492 169 H ASP 23 H ASP 23 -22.438 9.761 -13.662 170 HA ASP 23 HA ASP 23 -21.524 7.465 -13.671 171 HB2 ASP 23 HB2 ASP 23 -23.767 8.008 -14.449 172 HB3 ASP 23 HB3 ASP 23 -23.143 8.341 -16.068 173 H ASN 24 H ASN 24 -19.263 7.711 -13.966 174 HA ASN 24 HA ASN 24 -17.251 7.112 -14.782 175 HB2 ASN 24 HB2 ASN 24 -18.697 5.846 -17.175 176 HB3 ASN 24 HB3 ASN 24 -17.037 5.572 -16.727 177 HD21 ASN 24 HD22 ASN 24 -20.332 4.995 -15.475 178 HD22 ASN 24 HD21 ASN 24 -19.778 3.391 -15.062 179 H ILE 25 H ILE 25 -19.428 8.908 -16.947 180 HA ILE 25 HA ILE 25 -17.710 9.871 -18.859 181 HB ILE 25 HB ILE 25 -19.572 11.651 -18.917 182 HG12 ILE 25 HG12 ILE 25 -20.941 9.972 -16.846 183 HG13 ILE 25 HG13 ILE 25 -20.170 11.532 -16.533 184 HG21 ILE 25 HG21 ILE 25 -21.150 10.028 -19.895 185 HG22 ILE 25 HG22 ILE 25 -19.500 9.557 -20.286 186 HG23 ILE 25 HG23 ILE 25 -20.371 8.709 -19.002 187 HD11 ILE 25 HD11 ILE 25 -22.557 11.808 -16.827 188 HD12 ILE 25 HD12 ILE 25 -21.704 12.606 -18.164 189 HD13 ILE 25 HD13 ILE 25 -22.515 11.036 -18.412 190 H LEU 26 H LEU 26 -17.758 10.789 -15.542 191 HA LEU 26 HA LEU 26 -16.116 13.237 -16.133 192 HB2 LEU 26 HB2 LEU 26 -18.260 13.823 -15.217 193 HB3 LEU 26 HB3 LEU 26 -18.098 12.639 -13.923 194 HG LEU 26 HG LEU 26 -16.270 13.993 -12.914 195 HD11 LEU 26 HD11 LEU 26 -17.031 15.971 -15.094 196 HD12 LEU 26 HD12 LEU 26 -15.993 16.320 -13.689 197 HD13 LEU 26 HD13 LEU 26 -15.448 15.164 -14.922 198 HD21 LEU 26 HD21 LEU 26 -18.664 14.302 -12.267 199 HD22 LEU 26 HD22 LEU 26 -17.717 15.784 -12.095 200 HD23 LEU 26 HD23 LEU 26 -18.812 15.578 -13.480 201 H LEU 27 H LEU 27 -16.658 11.505 -13.268 202 HA LEU 27 HA LEU 27 -15.352 10.576 -11.595 203 HB2 LEU 27 HB2 LEU 27 -14.660 9.136 -13.589 204 HB3 LEU 27 HB3 LEU 27 -13.151 10.032 -13.596 205 HG LEU 27 HG LEU 27 -14.164 8.595 -11.106 206 HD11 LEU 27 HD11 LEU 27 -12.428 7.470 -13.340 207 HD12 LEU 27 HD12 LEU 27 -12.863 6.641 -11.826 208 HD13 LEU 27 HD13 LEU 27 -14.113 7.020 -13.017 209 HD21 LEU 27 HD21 LEU 27 -12.243 10.022 -10.622 210 HD22 LEU 27 HD22 LEU 27 -11.684 8.358 -10.676 211 HD23 LEU 27 HD23 LEU 27 -11.386 9.428 -12.055 212 H SER 28 H SER 28 -14.073 11.357 -10.003 213 HA SER 28 HA SER 28 -12.594 13.916 -10.515 214 HB2 SER 28 HB2 SER 28 -14.912 14.280 -9.682 215 HB3 SER 28 HB3 SER 28 -14.533 13.300 -8.255 216 HG SER 28 HG SER 28 -14.348 15.669 -8.127 217 H GLU 29 H GLU 29 -10.719 14.265 -9.205 218 HA GLU 29 HA GLU 29 -9.888 11.981 -7.470 219 HB2 GLU 29 HB2 GLU 29 -8.144 13.632 -9.315 220 HB3 GLU 29 HB3 GLU 29 -7.649 12.261 -8.323 221 HG2 GLU 29 HG2 GLU 29 -9.117 10.795 -9.735 222 HG3 GLU 29 HG3 GLU 29 -9.451 12.179 -10.777 223 H GLU 30 H GLU 30 -9.170 12.641 -5.456 224 HA GLU 30 HA GLU 30 -8.355 15.499 -5.031 225 HB2 GLU 30 HB2 GLU 30 -9.076 13.448 -2.916 226 HB3 GLU 30 HB3 GLU 30 -8.754 15.153 -2.660 227 HG2 GLU 30 HG2 GLU 30 -11.149 13.995 -4.149 228 HG3 GLU 30 HG3 GLU 30 -11.124 14.503 -2.468 229 H GLN 31 H GLN 31 -6.163 15.911 -4.366 230 HA GLN 31 HA GLN 31 -4.421 13.515 -3.955 231 HB2 GLN 31 HB2 GLN 31 -3.866 16.269 -5.069 232 HB3 GLN 31 HB3 GLN 31 -2.621 15.254 -4.379 233 HG2 GLN 31 HG2 GLN 31 -3.787 13.392 -6.002 234 HG3 GLN 31 HG3 GLN 31 -4.221 14.847 -6.900 235 HE21 GLN 31 HE21 GLN 31 -1.346 13.639 -5.077 236 HE22 GLN 31 HE22 GLN 31 -0.185 14.036 -6.329 237 H VAL 32 H VAL 32 -4.022 13.069 -1.927 238 HA VAL 32 HA VAL 32 -4.034 15.225 0.132 239 HB VAL 32 HB VAL 32 -5.375 13.909 1.538 240 HG11 VAL 32 HG11 VAL 32 -6.739 13.685 -1.159 241 HG12 VAL 32 HG12 VAL 32 -7.497 13.779 0.436 242 HG13 VAL 32 HG13 VAL 32 -6.617 15.181 -0.198 243 HG21 VAL 32 HG21 VAL 32 -5.416 11.671 -0.521 244 HG22 VAL 32 HG22 VAL 32 -4.564 11.620 1.040 245 HG23 VAL 32 HG23 VAL 32 -6.318 11.718 1.008 246 H ASP 33 H ASP 33 -3.002 14.769 2.081 247 HA ASP 33 HA ASP 33 -0.609 13.073 2.010 248 HB2 ASP 33 HB2 ASP 33 -1.032 15.351 3.261 249 HB3 ASP 33 HB3 ASP 33 -1.722 14.347 4.520 250 H VAL 34 H VAL 34 -0.187 11.297 3.418 251 HA VAL 34 HA VAL 34 -2.183 9.312 3.513 252 HB VAL 34 HB VAL 34 0.216 8.869 3.480 253 HG11 VAL 34 HG11 VAL 34 0.229 9.483 6.470 254 HG12 VAL 34 HG12 VAL 34 1.579 8.870 5.497 255 HG13 VAL 34 HG13 VAL 34 0.962 10.496 5.210 256 HG21 VAL 34 HG21 VAL 34 -1.477 7.112 4.197 257 HG22 VAL 34 HG22 VAL 34 0.201 6.832 4.705 258 HG23 VAL 34 HG23 VAL 34 -0.995 7.434 5.868 259 H GLU 35 H GLU 35 -1.687 11.772 5.923 260 HA GLU 35 HA GLU 35 -3.165 10.433 8.060 261 HB2 GLU 35 HB2 GLU 35 -1.408 12.297 8.195 262 HB3 GLU 35 HB3 GLU 35 -2.718 13.399 7.747 263 HG2 GLU 35 HG2 GLU 35 -2.497 13.379 10.155 264 HG3 GLU 35 HG3 GLU 35 -4.001 12.556 9.730 265 H LEU 36 H LEU 36 -4.210 11.943 5.131 266 HA LEU 36 HA LEU 36 -6.830 12.753 6.206 267 HB2 LEU 36 HB2 LEU 36 -5.553 13.148 3.503 268 HB3 LEU 36 HB3 LEU 36 -7.007 13.954 4.075 269 HG LEU 36 HG LEU 36 -4.167 14.371 5.115 270 HD11 LEU 36 HD11 LEU 36 -6.078 16.223 3.635 271 HD12 LEU 36 HD12 LEU 36 -4.466 16.650 4.249 272 HD13 LEU 36 HD13 LEU 36 -4.622 15.460 2.959 273 HD21 LEU 36 HD21 LEU 36 -5.690 14.623 6.986 274 HD22 LEU 36 HD22 LEU 36 -5.160 16.221 6.465 275 HD23 LEU 36 HD23 LEU 36 -6.783 15.641 6.021 276 H VAL 37 H VAL 37 -5.720 9.907 4.951 277 HA VAL 37 HA VAL 37 -8.299 9.190 3.630 278 HB VAL 37 HB VAL 37 -6.453 8.665 2.276 279 HG11 VAL 37 HG11 VAL 37 -4.681 7.033 2.934 280 HG12 VAL 37 HG12 VAL 37 -4.592 8.564 3.794 281 HG13 VAL 37 HG13 VAL 37 -5.253 7.127 4.613 282 HG21 VAL 37 HG21 VAL 37 -8.265 7.009 2.313 283 HG22 VAL 37 HG22 VAL 37 -6.702 6.288 1.904 284 HG23 VAL 37 HG23 VAL 37 -7.381 6.048 3.521 285 H GLN 38 H GLN 38 -9.633 7.581 4.366 286 HA GLN 38 HA GLN 38 -9.047 6.356 7.040 287 HB2 GLN 38 HB2 GLN 38 -11.403 6.454 7.564 288 HB3 GLN 38 HB3 GLN 38 -10.792 8.055 7.216 289 HG2 GLN 38 HG2 GLN 38 -11.924 8.060 5.042 290 HG3 GLN 38 HG3 GLN 38 -12.358 6.354 5.215 291 HE21 GLN 38 HE22 GLN 38 -12.795 9.429 7.022 292 HE22 GLN 38 HE21 GLN 38 -14.316 8.829 7.699 293 H ARG 39 H ARG 39 -10.221 4.322 7.472 294 HA ARG 39 HA ARG 39 -9.663 2.364 5.472 295 HB2 ARG 39 HB2 ARG 39 -10.197 0.772 7.170 296 HB3 ARG 39 HB3 ARG 39 -9.422 2.143 7.954 297 HG2 ARG 39 HG2 ARG 39 -11.917 2.948 8.329 298 HG3 ARG 39 HG3 ARG 39 -12.333 1.275 8.008 299 HD2 ARG 39 HD2 ARG 39 -10.909 0.502 9.855 300 HD3 ARG 39 HD3 ARG 39 -10.309 2.141 10.105 301 HE ARG 39 HE ARG 39 -12.204 2.701 11.270 302 HH11 ARG 39 HH11 ARG 39 -13.004 -0.278 9.548 303 HH12 ARG 39 HH12 ARG 39 -14.653 -0.215 10.153 304 HH21 ARG 39 HH21 ARG 39 -14.129 2.422 12.251 305 HH22 ARG 39 HH22 ARG 39 -15.113 1.003 11.880 306 H GLY 40 H GLY 40 -11.738 4.153 4.543 307 HA2 GLY 40 HA2 GLY 40 -13.626 2.162 3.469 308 HA3 GLY 40 HA3 GLY 40 -14.333 3.551 4.304 309 H ASP 41 H ASP 41 -11.367 4.323 2.642 310 HA ASP 41 HA ASP 41 -12.860 5.654 0.443 311 HB2 ASP 41 HB2 ASP 41 -10.038 5.949 1.512 312 HB3 ASP 41 HB3 ASP 41 -10.661 6.836 0.127 313 H ILE 42 H ILE 42 -11.877 5.697 -1.724 314 HA ILE 42 HA ILE 42 -10.358 3.227 -2.463 315 HB ILE 42 HB ILE 42 -12.616 4.553 -3.991 316 HG12 ILE 42 HG12 ILE 42 -12.239 1.707 -2.930 317 HG13 ILE 42 HG13 ILE 42 -13.232 2.942 -2.167 318 HG21 ILE 42 HG21 ILE 42 -10.819 3.983 -5.589 319 HG22 ILE 42 HG22 ILE 42 -10.716 2.339 -4.914 320 HG23 ILE 42 HG23 ILE 42 -12.164 2.887 -5.789 321 HD11 ILE 42 HD11 ILE 42 -14.686 1.477 -3.364 322 HD12 ILE 42 HD12 ILE 42 -14.667 3.032 -4.219 323 HD13 ILE 42 HD13 ILE 42 -13.759 1.635 -4.858 324 H ILE 43 H ILE 43 -8.477 3.533 -3.386 325 HA ILE 43 HA ILE 43 -7.643 6.258 -4.139 326 HB ILE 43 HB ILE 43 -6.084 3.879 -3.063 327 HG12 ILE 43 HG12 ILE 43 -7.575 4.524 -1.298 328 HG13 ILE 43 HG13 ILE 43 -5.948 5.026 -0.902 329 HG21 ILE 43 HG21 ILE 43 -5.246 6.776 -3.411 330 HG22 ILE 43 HG22 ILE 43 -4.312 5.548 -2.534 331 HG23 ILE 43 HG23 ILE 43 -4.598 5.363 -4.261 332 HD11 ILE 43 HD11 ILE 43 -8.175 6.848 -1.900 333 HD12 ILE 43 HD12 ILE 43 -7.556 6.740 -0.255 334 HD13 ILE 43 HD13 ILE 43 -6.518 7.379 -1.541 335 H LYS 44 H LYS 44 -6.890 6.647 -6.218 336 HA LYS 44 HA LYS 44 -6.035 4.356 -7.915 337 HB2 LYS 44 HB2 LYS 44 -7.575 6.117 -8.802 338 HB3 LYS 44 HB3 LYS 44 -6.219 7.246 -8.765 339 HG2 LYS 44 HG2 LYS 44 -4.924 5.869 -10.276 340 HG3 LYS 44 HG3 LYS 44 -6.051 4.519 -10.156 341 HD2 LYS 44 HD2 LYS 44 -6.855 7.190 -11.315 342 HD3 LYS 44 HD3 LYS 44 -6.092 5.899 -12.270 343 HE2 LYS 44 HE2 LYS 44 -7.964 4.372 -11.611 344 HE3 LYS 44 HE3 LYS 44 -8.759 5.763 -10.836 345 HZ1 LYS 44 HZ1 LYS 44 -8.052 5.587 -13.710 346 HZ2 LYS 44 HZ2 LYS 44 -9.555 5.394 -13.098 347 HZ3 LYS 44 HZ3 LYS 44 -8.797 6.868 -12.986 348 H VAL 45 H VAL 45 -4.033 3.711 -8.177 349 HA VAL 45 HA VAL 45 -1.838 5.332 -7.006 350 HB VAL 45 HB VAL 45 -2.222 3.030 -6.228 351 HG11 VAL 45 HG11 VAL 45 -1.144 2.126 -8.928 352 HG12 VAL 45 HG12 VAL 45 -1.534 1.106 -7.533 353 HG13 VAL 45 HG13 VAL 45 -2.827 1.970 -8.386 354 HG21 VAL 45 HG21 VAL 45 0.504 3.422 -7.529 355 HG22 VAL 45 HG22 VAL 45 -0.016 4.117 -5.977 356 HG23 VAL 45 HG23 VAL 45 0.111 2.360 -6.164 357 H VAL 46 H VAL 46 -0.164 6.186 -8.090 358 HA VAL 46 HA VAL 46 -0.280 6.269 -11.005 359 HB VAL 46 HB VAL 46 1.468 7.973 -10.837 360 HG11 VAL 46 HG11 VAL 46 -0.740 8.395 -8.793 361 HG12 VAL 46 HG12 VAL 46 0.220 9.656 -9.604 362 HG13 VAL 46 HG13 VAL 46 -0.868 8.633 -10.544 363 HG21 VAL 46 HG21 VAL 46 2.291 8.779 -8.672 364 HG22 VAL 46 HG22 VAL 46 1.526 7.405 -7.854 365 HG23 VAL 46 HG23 VAL 46 2.844 7.142 -9.016 366 HA PRO 47 HA PRO 47 3.170 3.537 -11.983 367 HB2 PRO 47 HB2 PRO 47 4.452 4.888 -14.024 368 HB3 PRO 47 HB3 PRO 47 2.924 3.983 -14.228 369 HG2 PRO 47 HG2 PRO 47 3.273 6.958 -13.745 370 HG3 PRO 47 HG3 PRO 47 2.274 6.147 -14.993 371 HD2 PRO 47 HD2 PRO 47 1.152 7.014 -12.717 372 HD3 PRO 47 HD3 PRO 47 0.682 5.429 -13.380 373 H GLY 48 H GLY 48 4.998 3.262 -10.840 374 HA2 GLY 48 HA2 GLY 48 7.004 3.702 -9.758 375 HA3 GLY 48 HA3 GLY 48 6.885 5.419 -10.157 376 H GLY 49 H GLY 49 3.893 4.756 -8.917 377 HA2 GLY 49 HA2 GLY 49 4.348 6.210 -6.517 378 HA3 GLY 49 HA3 GLY 49 2.849 5.422 -7.001 379 H LYS 50 H LYS 50 3.751 5.642 -4.370 380 HA LYS 50 HA LYS 50 4.450 2.820 -3.601 381 HB2 LYS 50 HB2 LYS 50 4.865 5.386 -2.029 382 HB3 LYS 50 HB3 LYS 50 5.287 3.745 -1.499 383 HG2 LYS 50 HG2 LYS 50 6.866 3.554 -3.402 384 HG3 LYS 50 HG3 LYS 50 6.481 5.205 -3.883 385 HD2 LYS 50 HD2 LYS 50 7.241 5.983 -1.574 386 HD3 LYS 50 HD3 LYS 50 7.730 4.310 -1.260 387 HE2 LYS 50 HE2 LYS 50 9.716 5.376 -1.933 388 HE3 LYS 50 HE3 LYS 50 9.184 4.448 -3.340 389 HZ1 LYS 50 HZ1 LYS 50 8.935 7.373 -2.930 390 HZ2 LYS 50 HZ2 LYS 50 9.828 6.622 -4.060 391 HZ3 LYS 50 HZ3 LYS 50 8.207 6.577 -4.198 392 H PHE 51 H PHE 51 3.240 1.708 -2.179 393 HA PHE 51 HA PHE 51 0.501 2.568 -1.864 394 HB2 PHE 51 HB2 PHE 51 1.948 0.133 -0.840 395 HB3 PHE 51 HB3 PHE 51 0.219 0.406 -0.629 396 HD1 PHE 51 HD2 PHE 51 -1.106 1.041 -2.884 397 HD2 PHE 51 HD1 PHE 51 2.610 -1.131 -2.712 398 HE1 PHE 51 HE2 PHE 51 -1.509 0.160 -5.169 399 HE2 PHE 51 HE1 PHE 51 2.207 -1.992 -5.002 400 HZ PHE 51 HZ PHE 51 0.145 -1.360 -6.234 401 HA PRO 52 HA PRO 52 1.218 4.473 2.139 402 HB2 PRO 52 HB2 PRO 52 -1.151 5.735 2.478 403 HB3 PRO 52 HB3 PRO 52 -0.026 6.188 1.163 404 HG2 PRO 52 HG2 PRO 52 -2.469 4.397 1.008 405 HG3 PRO 52 HG3 PRO 52 -2.005 5.736 -0.086 406 HD2 PRO 52 HD2 PRO 52 -1.457 3.092 -0.623 407 HD3 PRO 52 HD3 PRO 52 -0.420 4.445 -1.169 408 H VAL 53 H VAL 53 -1.170 1.963 1.752 409 HA VAL 53 HA VAL 53 -1.179 1.228 4.542 410 HB VAL 53 HB VAL 53 -3.656 1.083 4.727 411 HG11 VAL 53 HG11 VAL 53 -2.629 3.942 4.604 412 HG12 VAL 53 HG12 VAL 53 -3.961 3.309 5.585 413 HG13 VAL 53 HG13 VAL 53 -2.295 2.802 5.919 414 HG21 VAL 53 HG21 VAL 53 -4.223 1.508 2.324 415 HG22 VAL 53 HG22 VAL 53 -5.077 2.568 3.465 416 HG23 VAL 53 HG23 VAL 53 -3.700 3.201 2.545 417 H ASP 54 H ASP 54 -2.517 -0.928 4.735 418 HA ASP 54 HA ASP 54 -2.086 -2.483 2.247 419 HB2 ASP 54 HB2 ASP 54 -1.787 -4.372 3.394 420 HB3 ASP 54 HB3 ASP 54 -1.116 -3.221 4.532 421 H GLY 55 H GLY 55 -3.684 -3.660 1.201 422 HA2 GLY 55 HA2 GLY 55 -6.434 -3.736 1.939 423 HA3 GLY 55 HA3 GLY 55 -6.163 -2.268 1.005 424 H ARG 56 H ARG 56 -7.845 -3.497 -0.244 425 HA ARG 56 HA ARG 56 -6.704 -5.620 -2.003 426 HB2 ARG 56 HB2 ARG 56 -8.680 -5.968 -0.328 427 HB3 ARG 56 HB3 ARG 56 -9.674 -5.262 -1.597 428 HG2 ARG 56 HG2 ARG 56 -9.137 -7.026 -3.134 429 HG3 ARG 56 HG3 ARG 56 -7.781 -7.576 -2.146 430 HD2 ARG 56 HD2 ARG 56 -10.681 -7.808 -1.303 431 HD3 ARG 56 HD3 ARG 56 -9.696 -9.097 -2.031 432 HE ARG 56 HE ARG 56 -8.396 -7.994 0.316 433 HH11 ARG 56 HH11 ARG 56 -10.976 -10.309 -0.491 434 HH12 ARG 56 HH12 ARG 56 -10.935 -10.906 1.144 435 HH21 ARG 56 HH21 ARG 56 -8.207 -9.096 2.128 436 HH22 ARG 56 HH22 ARG 56 -9.211 -10.510 2.428 437 H VAL 57 H VAL 57 -7.119 -5.774 -4.169 438 HA VAL 57 HA VAL 57 -7.237 -3.148 -5.564 439 HB VAL 57 HB VAL 57 -6.097 -5.821 -6.477 440 HG11 VAL 57 HG11 VAL 57 -5.784 -3.010 -7.606 441 HG12 VAL 57 HG12 VAL 57 -4.950 -4.474 -8.193 442 HG13 VAL 57 HG13 VAL 57 -6.693 -4.342 -8.355 443 HG21 VAL 57 HG21 VAL 57 -4.742 -5.065 -4.607 444 HG22 VAL 57 HG22 VAL 57 -3.858 -4.789 -6.109 445 HG23 VAL 57 HG23 VAL 57 -4.657 -3.432 -5.284 446 H ILE 58 H ILE 58 -8.875 -2.748 -6.960 447 HA ILE 58 HA ILE 58 -10.577 -5.004 -7.973 448 HB ILE 58 HB ILE 58 -12.579 -3.553 -7.202 449 HG12 ILE 58 HG12 ILE 58 -10.538 -2.550 -5.184 450 HG13 ILE 58 HG13 ILE 58 -11.006 -1.584 -6.602 451 HG21 ILE 58 HG21 ILE 58 -10.938 -4.901 -5.025 452 HG22 ILE 58 HG22 ILE 58 -12.696 -4.684 -5.090 453 HG23 ILE 58 HG23 ILE 58 -11.903 -5.761 -6.240 454 HD11 ILE 58 HD11 ILE 58 -13.377 -1.632 -5.864 455 HD12 ILE 58 HD12 ILE 58 -12.877 -2.470 -4.372 456 HD13 ILE 58 HD13 ILE 58 -12.295 -0.829 -4.714 457 H GLU 59 H GLU 59 -8.723 -3.106 -9.366 458 HA GLU 59 HA GLU 59 -10.262 -3.061 -11.762 459 HB2 GLU 59 HB2 GLU 59 -10.957 -0.785 -10.644 460 HB3 GLU 59 HB3 GLU 59 -9.309 -0.269 -11.009 461 HG2 GLU 59 HG2 GLU 59 -9.668 -0.767 -13.412 462 HG3 GLU 59 HG3 GLU 59 -11.289 -1.360 -13.048 463 H GLY 60 H GLY 60 -8.789 -3.220 -13.513 464 HA2 GLY 60 HA2 GLY 60 -6.905 -2.569 -14.772 465 HA3 GLY 60 HA3 GLY 60 -6.193 -1.831 -13.355 466 H HIS 61 H HIS 61 -4.325 -2.882 -14.427 467 HA HIS 61 HA HIS 61 -3.642 -5.242 -12.874 468 HB2 HIS 61 HB2 HIS 61 -3.163 -6.845 -14.464 469 HB3 HIS 61 HB3 HIS 61 -4.753 -6.264 -14.904 470 HD1 HIS 61 HD1 HIS 61 -1.300 -6.738 -16.240 471 HD2 HIS 61 HD2 HIS 61 -4.822 -4.651 -17.227 472 HE1 HIS 61 HE1 HIS 61 -1.023 -5.968 -18.662 473 H SER 62 H SER 62 -1.688 -5.032 -12.140 474 HA SER 62 HA SER 62 0.430 -3.545 -13.621 475 HB2 SER 62 HB2 SER 62 -1.052 -1.999 -12.181 476 HB3 SER 62 HB3 SER 62 -0.276 -2.753 -10.781 477 HG SER 62 HG SER 62 1.189 -1.630 -12.925 478 H MET 63 H MET 63 2.578 -3.467 -12.265 479 HA MET 63 HA MET 63 2.908 -6.081 -10.878 480 HB2 MET 63 HB2 MET 63 3.868 -6.160 -13.092 481 HB3 MET 63 HB3 MET 63 4.820 -4.698 -12.785 482 HG2 MET 63 HG2 MET 63 6.171 -5.772 -11.173 483 HG3 MET 63 HG3 MET 63 5.056 -7.127 -10.985 484 HE1 MET 63 HE1 MET 63 4.374 -8.450 -13.553 485 HE2 MET 63 HE2 MET 63 5.768 -9.527 -13.799 486 HE3 MET 63 HE3 MET 63 5.120 -9.276 -12.165 487 H VAL 64 H VAL 64 3.824 -6.089 -9.002 488 HA VAL 64 HA VAL 64 4.759 -3.549 -7.748 489 HB VAL 64 HB VAL 64 3.189 -5.874 -6.567 490 HG11 VAL 64 HG11 VAL 64 4.156 -3.299 -5.258 491 HG12 VAL 64 HG12 VAL 64 2.954 -4.409 -4.555 492 HG13 VAL 64 HG13 VAL 64 4.604 -4.959 -4.808 493 HG21 VAL 64 HG21 VAL 64 1.790 -4.440 -7.993 494 HG22 VAL 64 HG22 VAL 64 1.398 -4.150 -6.296 495 HG23 VAL 64 HG23 VAL 64 2.408 -2.992 -7.187 496 H ASP 65 H ASP 65 6.494 -3.516 -6.437 497 HA ASP 65 HA ASP 65 8.266 -5.919 -6.331 498 HB2 ASP 65 HB2 ASP 65 9.081 -3.765 -7.281 499 HB3 ASP 65 HB3 ASP 65 8.849 -3.001 -5.710 500 H GLU 66 H GLU 66 7.988 -7.191 -4.557 501 HA GLU 66 HA GLU 66 7.287 -5.956 -1.930 502 HB2 GLU 66 HB2 GLU 66 6.808 -8.820 -2.682 503 HB3 GLU 66 HB3 GLU 66 6.180 -7.870 -1.310 504 HG2 GLU 66 HG2 GLU 66 4.776 -6.571 -2.868 505 HG3 GLU 66 HG3 GLU 66 5.299 -7.623 -4.191 506 H SER 67 H SER 67 10.089 -6.616 -3.130 507 HA SER 67 HA SER 67 11.155 -8.828 -1.770 508 HB2 SER 67 HB2 SER 67 13.294 -8.064 -2.612 509 HB3 SER 67 HB3 SER 67 12.036 -7.868 -3.837 510 HG SER 67 HG SER 67 12.005 -5.568 -2.620 511 H LEU 68 H LEU 68 10.327 -6.092 -0.100 512 HA LEU 68 HA LEU 68 12.392 -6.561 2.027 513 HB2 LEU 68 HB2 LEU 68 12.639 -4.343 1.034 514 HB3 LEU 68 HB3 LEU 68 10.944 -3.993 1.264 515 HG LEU 68 HG LEU 68 12.433 -2.795 2.777 516 HD11 LEU 68 HD11 LEU 68 10.761 -4.610 4.526 517 HD12 LEU 68 HD12 LEU 68 11.160 -2.902 4.728 518 HD13 LEU 68 HD13 LEU 68 10.051 -3.396 3.437 519 HD21 LEU 68 HD21 LEU 68 13.512 -3.844 4.693 520 HD22 LEU 68 HD22 LEU 68 13.038 -5.452 4.115 521 HD23 LEU 68 HD23 LEU 68 14.177 -4.469 3.171 522 H ILE 69 H ILE 69 9.009 -5.850 1.217 523 HA ILE 69 HA ILE 69 8.053 -6.169 3.936 524 HB ILE 69 HB ILE 69 6.426 -6.144 1.371 525 HG12 ILE 69 HG12 ILE 69 7.875 -4.093 1.547 526 HG13 ILE 69 HG13 ILE 69 6.157 -3.802 1.500 527 HG21 ILE 69 HG21 ILE 69 5.723 -5.667 4.299 528 HG22 ILE 69 HG22 ILE 69 4.663 -5.223 2.953 529 HG23 ILE 69 HG23 ILE 69 5.085 -6.922 3.217 530 HD11 ILE 69 HD11 ILE 69 7.489 -2.371 3.088 531 HD12 ILE 69 HD12 ILE 69 6.091 -3.191 3.777 532 HD13 ILE 69 HD13 ILE 69 7.732 -3.816 4.098 533 H THR 70 H THR 70 7.376 -8.208 1.003 534 HA THR 70 HA THR 70 6.835 -10.524 2.802 535 HB THR 70 HB THR 70 5.758 -11.571 0.965 536 HG1 THR 70 HG1 THR 70 5.589 -10.101 -1.003 537 HG21 THR 70 HG21 THR 70 4.439 -9.811 2.181 538 HG22 THR 70 HG22 THR 70 4.860 -8.666 0.880 539 HG23 THR 70 HG23 THR 70 3.909 -10.120 0.520 540 H GLY 71 H GLY 71 9.369 -9.323 0.847 541 HA2 GLY 71 HA2 GLY 71 11.486 -10.153 0.543 542 HA3 GLY 71 HA3 GLY 71 11.072 -11.536 1.548 543 H GLU 72 H GLU 72 8.999 -11.186 -1.120 544 HA GLU 72 HA GLU 72 9.612 -13.645 -2.271 545 HB2 GLU 72 HB2 GLU 72 8.309 -11.192 -3.499 546 HB3 GLU 72 HB3 GLU 72 8.499 -12.677 -4.430 547 HG2 GLU 72 HG2 GLU 72 7.077 -12.466 -1.748 548 HG3 GLU 72 HG3 GLU 72 6.265 -12.511 -3.308 549 H ALA 73 H ALA 73 10.986 -10.584 -3.519 550 HA ALA 73 HA ALA 73 12.988 -10.131 -4.447 551 HB1 ALA 73 HB1 ALA 73 13.881 -12.969 -3.877 552 HB2 ALA 73 HB2 ALA 73 14.902 -11.588 -4.313 553 HB3 ALA 73 HB3 ALA 73 14.036 -11.592 -2.763 554 H MET 74 H MET 74 10.635 -11.335 -5.754 555 HA MET 74 HA MET 74 11.573 -11.066 -8.471 556 HB2 MET 74 HB2 MET 74 11.571 -13.540 -8.150 557 HB3 MET 74 HB3 MET 74 9.910 -13.473 -7.551 558 HG2 MET 74 HG2 MET 74 9.170 -12.546 -9.710 559 HG3 MET 74 HG3 MET 74 10.826 -12.611 -10.319 560 HE1 MET 74 HE1 MET 74 12.075 -14.780 -11.072 561 HE2 MET 74 HE2 MET 74 11.964 -15.450 -9.425 562 HE3 MET 74 HE3 MET 74 11.463 -16.428 -10.818 563 HA PRO 75 HA PRO 75 8.053 -8.471 -7.648 564 HB2 PRO 75 HB2 PRO 75 7.375 -7.511 -10.104 565 HB3 PRO 75 HB3 PRO 75 8.870 -7.049 -9.244 566 HG2 PRO 75 HG2 PRO 75 8.549 -9.200 -11.372 567 HG3 PRO 75 HG3 PRO 75 9.762 -7.876 -11.315 568 HD2 PRO 75 HD2 PRO 75 10.368 -10.358 -10.427 569 HD3 PRO 75 HD3 PRO 75 10.938 -8.916 -9.532 570 H VAL 76 H VAL 76 5.762 -8.165 -7.985 571 HA VAL 76 HA VAL 76 4.351 -10.735 -8.643 572 HB VAL 76 HB VAL 76 3.787 -8.809 -6.352 573 HG11 VAL 76 HG11 VAL 76 2.348 -10.643 -5.516 574 HG12 VAL 76 HG12 VAL 76 1.775 -10.058 -7.085 575 HG13 VAL 76 HG13 VAL 76 2.682 -11.583 -6.977 576 HG21 VAL 76 HG21 VAL 76 5.904 -9.993 -5.905 577 HG22 VAL 76 HG22 VAL 76 4.620 -10.614 -4.870 578 HG23 VAL 76 HG23 VAL 76 5.125 -11.548 -6.288 579 H ALA 77 H ALA 77 2.815 -10.570 -10.141 580 HA ALA 77 HA ALA 77 1.727 -7.983 -10.966 581 HB1 ALA 77 HB1 ALA 77 0.532 -9.301 -12.659 582 HB2 ALA 77 HB2 ALA 77 2.262 -9.671 -12.638 583 HB3 ALA 77 HB3 ALA 77 1.100 -10.802 -11.902 584 H LYS 78 H LYS 78 -0.245 -7.232 -10.745 585 HA LYS 78 HA LYS 78 -2.203 -8.519 -8.862 586 HB2 LYS 78 HB2 LYS 78 -1.667 -5.560 -9.283 587 HB3 LYS 78 HB3 LYS 78 -2.724 -6.258 -8.062 588 HG2 LYS 78 HG2 LYS 78 0.311 -6.497 -8.187 589 HG3 LYS 78 HG3 LYS 78 -0.608 -5.438 -7.125 590 HD2 LYS 78 HD2 LYS 78 -1.553 -7.317 -5.913 591 HD3 LYS 78 HD3 LYS 78 -0.795 -8.482 -7.017 592 HE2 LYS 78 HE2 LYS 78 1.436 -7.786 -6.344 593 HE3 LYS 78 HE3 LYS 78 0.776 -6.478 -5.348 594 HZ1 LYS 78 HZ1 LYS 78 0.277 -9.364 -4.857 595 HZ2 LYS 78 HZ2 LYS 78 1.356 -8.432 -4.017 596 HZ3 LYS 78 HZ3 LYS 78 -0.269 -8.132 -3.936 597 H LYS 79 H LYS 79 -4.446 -7.787 -9.082 598 HA LYS 79 HA LYS 79 -5.478 -6.929 -11.695 599 HB2 LYS 79 HB2 LYS 79 -6.541 -9.082 -12.178 600 HB3 LYS 79 HB3 LYS 79 -4.818 -9.322 -12.050 601 HG2 LYS 79 HG2 LYS 79 -5.014 -10.436 -9.948 602 HG3 LYS 79 HG3 LYS 79 -6.639 -9.824 -9.661 603 HD2 LYS 79 HD2 LYS 79 -6.874 -12.088 -10.250 604 HD3 LYS 79 HD3 LYS 79 -7.488 -11.152 -11.608 605 HE2 LYS 79 HE2 LYS 79 -5.494 -11.547 -12.916 606 HE3 LYS 79 HE3 LYS 79 -4.625 -12.174 -11.505 607 HZ1 LYS 79 HZ1 LYS 79 -5.344 -14.038 -12.768 608 HZ2 LYS 79 HZ2 LYS 79 -6.292 -13.984 -11.428 609 HZ3 LYS 79 HZ3 LYS 79 -6.894 -13.473 -12.878 610 HA PRO 80 HA PRO 80 -9.115 -6.240 -8.995 611 HB2 PRO 80 HB2 PRO 80 -11.290 -7.323 -10.326 612 HB3 PRO 80 HB3 PRO 80 -10.565 -5.736 -10.726 613 HG2 PRO 80 HG2 PRO 80 -9.998 -8.424 -12.032 614 HG3 PRO 80 HG3 PRO 80 -10.389 -6.863 -12.831 615 HD2 PRO 80 HD2 PRO 80 -7.837 -7.615 -12.622 616 HD3 PRO 80 HD3 PRO 80 -8.289 -5.936 -12.240 617 H GLY 81 H GLY 81 -9.619 -7.384 -7.203 618 HA2 GLY 81 HA2 GLY 81 -9.982 -9.203 -5.785 619 HA3 GLY 81 HA3 GLY 81 -9.962 -10.316 -7.157 620 H SER 82 H SER 82 -7.487 -7.902 -6.085 621 HA SER 82 HA SER 82 -5.592 -10.096 -5.350 622 HB2 SER 82 HB2 SER 82 -5.227 -9.147 -7.690 623 HB3 SER 82 HB3 SER 82 -4.819 -7.614 -6.908 624 HG SER 82 HG SER 82 -3.478 -10.104 -6.837 625 H THR 83 H THR 83 -3.707 -9.120 -3.954 626 HA THR 83 HA THR 83 -4.770 -6.904 -2.230 627 HB THR 83 HB THR 83 -3.971 -7.994 -0.283 628 HG1 THR 83 HG1 THR 83 -3.013 -9.982 -2.066 629 HG21 THR 83 HG21 THR 83 -5.365 -9.984 -0.126 630 HG22 THR 83 HG22 THR 83 -6.227 -8.697 -0.974 631 HG23 THR 83 HG23 THR 83 -5.537 -10.055 -1.890 632 H VAL 84 H VAL 84 -3.349 -5.525 -1.197 633 HA VAL 84 HA VAL 84 -0.449 -5.723 -1.865 634 HB VAL 84 HB VAL 84 -0.370 -3.272 -2.241 635 HG11 VAL 84 HG11 VAL 84 -1.152 -3.319 -4.547 636 HG12 VAL 84 HG12 VAL 84 -0.341 -4.836 -4.126 637 HG13 VAL 84 HG13 VAL 84 -2.113 -4.774 -4.225 638 HG21 VAL 84 HG21 VAL 84 -2.525 -2.622 -1.172 639 HG22 VAL 84 HG22 VAL 84 -2.359 -2.014 -2.825 640 HG23 VAL 84 HG23 VAL 84 -3.403 -3.412 -2.500 641 H ILE 85 H ILE 85 0.899 -4.286 -0.604 642 HA ILE 85 HA ILE 85 -0.036 -3.713 2.138 643 HB ILE 85 HB ILE 85 2.513 -4.418 2.672 644 HG12 ILE 85 HG12 ILE 85 3.032 -6.631 1.744 645 HG13 ILE 85 HG13 ILE 85 1.677 -6.546 0.634 646 HG21 ILE 85 HG21 ILE 85 0.547 -5.098 3.921 647 HG22 ILE 85 HG22 ILE 85 0.133 -6.300 2.675 648 HG23 ILE 85 HG23 ILE 85 1.612 -6.476 3.642 649 HD11 ILE 85 HD11 ILE 85 3.916 -6.062 -0.397 650 HD12 ILE 85 HD12 ILE 85 2.759 -4.742 -0.618 651 HD13 ILE 85 HD13 ILE 85 4.033 -4.606 0.615 652 H ALA 86 H ALA 86 1.085 -2.082 3.238 653 HA ALA 86 HA ALA 86 1.733 0.141 1.572 654 HB1 ALA 86 HB1 ALA 86 2.129 -0.220 4.570 655 HB2 ALA 86 HB2 ALA 86 2.095 1.321 3.687 656 HB3 ALA 86 HB3 ALA 86 0.649 0.306 3.785 657 H GLY 87 H GLY 87 3.647 1.280 1.306 658 HA2 GLY 87 HA2 GLY 87 5.951 1.721 1.326 659 HA3 GLY 87 HA3 GLY 87 6.212 0.316 2.365 660 H SER 88 H SER 88 4.466 -0.951 -0.149 661 HA SER 88 HA SER 88 6.889 -1.721 -1.686 662 HB2 SER 88 HB2 SER 88 4.190 -2.922 -1.310 663 HB3 SER 88 HB3 SER 88 4.885 -3.051 -2.937 664 HG SER 88 HG SER 88 6.583 -4.093 -2.222 665 H ILE 89 H ILE 89 6.853 -1.626 -4.012 666 HA ILE 89 HA ILE 89 5.838 1.045 -4.844 667 HB ILE 89 HB ILE 89 8.118 -0.299 -6.238 668 HG12 ILE 89 HG12 ILE 89 8.862 -0.634 -3.960 669 HG13 ILE 89 HG13 ILE 89 9.829 0.547 -4.809 670 HG21 ILE 89 HG21 ILE 89 7.221 1.800 -7.109 671 HG22 ILE 89 HG22 ILE 89 7.448 2.589 -5.536 672 HG23 ILE 89 HG23 ILE 89 8.856 2.056 -6.483 673 HD11 ILE 89 HD11 ILE 89 9.403 1.157 -2.444 674 HD12 ILE 89 HD12 ILE 89 8.833 2.382 -3.582 675 HD13 ILE 89 HD13 ILE 89 7.670 1.293 -2.789 676 H ASN 90 H ASN 90 4.635 1.297 -6.619 677 HA ASN 90 HA ASN 90 3.855 -1.097 -8.219 678 HB2 ASN 90 HB2 ASN 90 2.116 0.331 -7.014 679 HB3 ASN 90 HB3 ASN 90 2.519 1.644 -8.120 680 HD21 ASN 90 HD22 ASN 90 1.463 1.536 -10.183 681 HD22 ASN 90 HD21 ASN 90 0.693 0.013 -10.680 682 H GLN 91 H GLN 91 4.335 -1.271 -10.409 683 HA GLN 91 HA GLN 91 6.395 0.593 -11.348 684 HB2 GLN 91 HB2 GLN 91 6.683 -1.857 -11.422 685 HB3 GLN 91 HB3 GLN 91 5.331 -1.990 -12.542 686 HG2 GLN 91 HG2 GLN 91 7.366 -2.113 -13.802 687 HG3 GLN 91 HG3 GLN 91 6.573 -0.589 -14.198 688 HE21 GLN 91 HE22 GLN 91 9.026 -1.813 -11.725 689 HE22 GLN 91 HE21 GLN 91 10.087 -0.441 -11.982 690 H ASN 92 H ASN 92 3.680 -0.844 -13.224 691 HA ASN 92 HA ASN 92 2.643 1.685 -14.193 692 HB2 ASN 92 HB2 ASN 92 4.664 1.246 -15.674 693 HB3 ASN 92 HB3 ASN 92 3.953 -0.290 -16.147 694 HD21 ASN 92 HD22 ASN 92 2.540 -0.254 -17.962 695 HD22 ASN 92 HD21 ASN 92 1.856 1.257 -18.546 696 H GLY 93 H GLY 93 0.410 1.215 -15.126 697 HA2 GLY 93 HA2 GLY 93 -0.933 -0.650 -15.962 698 HA3 GLY 93 HA3 GLY 93 -0.476 -1.561 -14.539 699 H SER 94 H SER 94 -1.107 1.733 -13.895 700 HA SER 94 HA SER 94 -2.678 2.675 -12.455 701 HB2 SER 94 HB2 SER 94 -3.904 2.201 -15.187 702 HB3 SER 94 HB3 SER 94 -4.548 3.366 -14.008 703 HG SER 94 HG SER 94 -2.663 4.476 -14.021 704 H LEU 95 H LEU 95 -3.220 1.372 -10.754 705 HA LEU 95 HA LEU 95 -5.631 -0.382 -10.977 706 HB2 LEU 95 HB2 LEU 95 -3.458 -0.149 -8.887 707 HB3 LEU 95 HB3 LEU 95 -4.811 -1.262 -8.776 708 HG LEU 95 HG LEU 95 -2.548 -1.313 -10.800 709 HD11 LEU 95 HD11 LEU 95 -3.155 -2.979 -8.318 710 HD12 LEU 95 HD12 LEU 95 -1.900 -3.363 -9.506 711 HD13 LEU 95 HD13 LEU 95 -1.784 -1.876 -8.565 712 HD21 LEU 95 HD21 LEU 95 -3.451 -3.597 -11.308 713 HD22 LEU 95 HD22 LEU 95 -4.876 -3.227 -10.323 714 HD23 LEU 95 HD23 LEU 95 -4.537 -2.275 -11.779 715 H LEU 96 H LEU 96 -7.229 -0.377 -9.401 716 HA LEU 96 HA LEU 96 -7.403 2.027 -7.623 717 HB2 LEU 96 HB2 LEU 96 -9.633 0.338 -8.818 718 HB3 LEU 96 HB3 LEU 96 -9.872 1.482 -7.511 719 HG LEU 96 HG LEU 96 -8.831 2.235 -10.279 720 HD11 LEU 96 HD11 LEU 96 -11.507 2.886 -8.981 721 HD12 LEU 96 HD12 LEU 96 -10.941 3.338 -10.608 722 HD13 LEU 96 HD13 LEU 96 -11.267 1.639 -10.220 723 HD21 LEU 96 HD21 LEU 96 -7.954 3.788 -8.703 724 HD22 LEU 96 HD22 LEU 96 -9.387 4.571 -9.376 725 HD23 LEU 96 HD23 LEU 96 -9.462 3.841 -7.767 726 H ILE 97 H ILE 97 -7.046 1.719 -5.596 727 HA ILE 97 HA ILE 97 -7.272 -1.001 -4.417 728 HB ILE 97 HB ILE 97 -5.769 1.276 -3.152 729 HG12 ILE 97 HG12 ILE 97 -4.845 1.400 -5.379 730 HG13 ILE 97 HG13 ILE 97 -3.693 0.851 -4.186 731 HG21 ILE 97 HG21 ILE 97 -5.353 -1.737 -3.182 732 HG22 ILE 97 HG22 ILE 97 -4.398 -0.558 -2.252 733 HG23 ILE 97 HG23 ILE 97 -6.113 -0.791 -1.892 734 HD11 ILE 97 HD11 ILE 97 -3.551 -0.333 -6.382 735 HD12 ILE 97 HD12 ILE 97 -3.767 -1.404 -4.989 736 HD13 ILE 97 HD13 ILE 97 -5.147 -1.048 -6.063 737 H CYS 98 H CYS 98 -8.868 -1.312 -2.904 738 HA CYS 98 HA CYS 98 -10.183 1.042 -1.660 739 HB2 CYS 98 HB2 CYS 98 -11.729 -0.539 -0.664 740 HB3 CYS 98 HB3 CYS 98 -11.657 -0.710 -2.417 741 HG CYS 98 HG CYS 98 -9.827 -2.736 -2.274 742 H ALA 99 H ALA 99 -9.337 1.998 0.118 743 HA ALA 99 HA ALA 99 -7.342 0.646 1.738 744 HB1 ALA 99 HB1 ALA 99 -8.771 3.338 1.958 745 HB2 ALA 99 HB2 ALA 99 -7.413 2.813 2.969 746 HB3 ALA 99 HB3 ALA 99 -7.178 3.041 1.222 747 H THR 100 H THR 100 -7.996 -0.898 3.111 748 HA THR 100 HA THR 100 -10.530 -0.580 4.674 749 HB THR 100 HB THR 100 -10.395 -3.102 4.802 750 HG1 THR 100 HG1 THR 100 -8.996 -4.088 3.326 751 HG21 THR 100 HG21 THR 100 -11.152 -3.516 2.535 752 HG22 THR 100 HG22 THR 100 -11.775 -1.946 3.065 753 HG23 THR 100 HG23 THR 100 -10.394 -2.024 1.949 754 H HIS 101 H HIS 101 -7.364 -0.048 5.234 755 HA HIS 101 HA HIS 101 -7.752 -0.388 8.132 756 HB2 HIS 101 HB2 HIS 101 -5.129 -1.097 6.768 757 HB3 HIS 101 HB3 HIS 101 -5.587 -1.380 8.443 758 HD1 HIS 101 HD1 HIS 101 -6.022 -2.824 4.917 759 HD2 HIS 101 HD2 HIS 101 -7.029 -3.640 8.930 760 HE1 HIS 101 HE1 HIS 101 -7.005 -5.170 4.935 761 H VAL 102 H VAL 102 -6.716 1.305 9.315 762 HA VAL 102 HA VAL 102 -5.288 3.423 7.760 763 HB VAL 102 HB VAL 102 -5.058 4.607 9.924 764 HG11 VAL 102 HG11 VAL 102 -7.885 3.956 9.024 765 HG12 VAL 102 HG12 VAL 102 -7.389 5.379 9.965 766 HG13 VAL 102 HG13 VAL 102 -6.790 5.166 8.312 767 HG21 VAL 102 HG21 VAL 102 -5.338 2.677 11.486 768 HG22 VAL 102 HG22 VAL 102 -6.426 4.029 11.828 769 HG23 VAL 102 HG23 VAL 102 -7.055 2.590 11.020 770 H GLY 103 H GLY 103 -3.047 4.148 8.732 771 HA2 GLY 103 HA2 GLY 103 -1.341 2.002 8.031 772 HA3 GLY 103 HA3 GLY 103 -0.843 3.513 8.739 773 H ALA 104 H ALA 104 -2.061 3.332 11.306 774 HA ALA 104 HA ALA 104 -0.313 1.628 12.763 775 HB1 ALA 104 HB1 ALA 104 -1.688 2.269 14.688 776 HB2 ALA 104 HB2 ALA 104 -1.448 3.676 13.638 777 HB3 ALA 104 HB3 ALA 104 -2.996 2.809 13.615 778 H ASP 105 H ASP 105 -3.616 1.013 11.556 779 HA ASP 105 HA ASP 105 -3.922 -1.488 13.015 780 HB2 ASP 105 HB2 ASP 105 -5.732 0.234 12.497 781 HB3 ASP 105 HB3 ASP 105 -5.698 -0.392 10.847 782 H THR 106 H THR 106 -2.248 -0.729 10.199 783 HA THR 106 HA THR 106 -2.943 -2.919 8.503 784 HB THR 106 HB THR 106 -0.794 -2.532 7.352 785 HG1 THR 106 HG1 THR 106 -0.235 -0.469 9.142 786 HG21 THR 106 HG21 THR 106 -2.254 0.019 7.976 787 HG22 THR 106 HG22 THR 106 -1.093 -0.223 6.654 788 HG23 THR 106 HG23 THR 106 -2.623 -1.132 6.691 789 H THR 107 H THR 107 -1.709 -4.745 7.876 790 HA THR 107 HA THR 107 -0.599 -6.333 10.045 791 HB THR 107 HB THR 107 -1.773 -7.262 8.069 792 HG1 THR 107 HG1 THR 107 -0.847 -8.955 8.656 793 HG21 THR 107 HG21 THR 107 0.855 -6.857 6.580 794 HG22 THR 107 HG22 THR 107 -0.587 -7.715 6.011 795 HG23 THR 107 HG23 THR 107 -0.653 -5.964 6.250 796 H LEU 108 H LEU 108 0.857 -4.146 7.657 797 HA LEU 108 HA LEU 108 3.588 -4.736 8.087 798 HB2 LEU 108 HB2 LEU 108 2.570 -3.231 6.313 799 HB3 LEU 108 HB3 LEU 108 2.244 -2.042 7.570 800 HG LEU 108 HG LEU 108 4.762 -1.990 8.051 801 HD11 LEU 108 HD11 LEU 108 4.750 -3.547 5.432 802 HD12 LEU 108 HD12 LEU 108 6.181 -2.754 6.150 803 HD13 LEU 108 HD13 LEU 108 5.391 -4.121 6.981 804 HD21 LEU 108 HD21 LEU 108 5.256 -0.534 6.200 805 HD22 LEU 108 HD22 LEU 108 3.986 -1.268 5.210 806 HD23 LEU 108 HD23 LEU 108 3.551 -0.311 6.647 807 H SER 109 H SER 109 1.433 -2.442 9.841 808 HA SER 109 HA SER 109 3.402 -1.763 11.852 809 HB2 SER 109 HB2 SER 109 0.403 -1.451 11.677 810 HB3 SER 109 HB3 SER 109 1.312 -1.027 13.143 811 HG SER 109 HG SER 109 1.021 0.392 10.921 812 H GLN 110 H GLN 110 1.285 -4.593 11.497 813 HA GLN 110 HA GLN 110 1.667 -5.410 14.272 814 HB2 GLN 110 HB2 GLN 110 -0.254 -6.230 13.003 815 HB3 GLN 110 HB3 GLN 110 0.797 -7.096 11.915 816 HG2 GLN 110 HG2 GLN 110 0.122 -8.728 13.404 817 HG3 GLN 110 HG3 GLN 110 1.749 -8.377 13.930 818 HE21 GLN 110 HE22 GLN 110 -1.652 -7.519 14.437 819 HE22 GLN 110 HE21 GLN 110 -1.503 -7.320 16.183 820 H ILE 111 H ILE 111 3.396 -6.096 11.197 821 HA ILE 111 HA ILE 111 5.138 -8.087 12.181 822 HB ILE 111 HB ILE 111 5.588 -5.961 10.062 823 HG12 ILE 111 HG12 ILE 111 5.133 -8.973 9.814 824 HG13 ILE 111 HG13 ILE 111 3.830 -7.798 9.756 825 HG21 ILE 111 HG21 ILE 111 7.402 -8.320 10.745 826 HG22 ILE 111 HG22 ILE 111 7.546 -7.302 9.294 827 HG23 ILE 111 HG23 ILE 111 7.825 -6.600 10.879 828 HD11 ILE 111 HD11 ILE 111 4.379 -8.367 7.505 829 HD12 ILE 111 HD12 ILE 111 4.929 -6.703 7.777 830 HD13 ILE 111 HD13 ILE 111 6.100 -8.046 7.750 831 H VAL 112 H VAL 112 5.864 -4.523 12.174 832 HA VAL 112 HA VAL 112 8.150 -4.826 13.830 833 HB VAL 112 HB VAL 112 7.890 -2.425 14.426 834 HG11 VAL 112 HG11 VAL 112 7.660 -3.090 11.469 835 HG12 VAL 112 HG12 VAL 112 8.355 -1.614 12.181 836 HG13 VAL 112 HG13 VAL 112 9.144 -3.171 12.456 837 HG21 VAL 112 HG21 VAL 112 5.408 -2.216 14.331 838 HG22 VAL 112 HG22 VAL 112 6.234 -1.047 13.298 839 HG23 VAL 112 HG23 VAL 112 5.469 -2.473 12.571 840 H LYS 113 H LYS 113 4.767 -4.810 14.825 841 HA LYS 113 HA LYS 113 5.363 -4.342 17.667 842 HB2 LYS 113 HB2 LYS 113 2.884 -5.189 16.188 843 HB3 LYS 113 HB3 LYS 113 2.989 -5.234 17.945 844 HG2 LYS 113 HG2 LYS 113 3.608 -2.823 18.004 845 HG3 LYS 113 HG3 LYS 113 3.388 -2.738 16.250 846 HD2 LYS 113 HD2 LYS 113 1.224 -3.569 18.249 847 HD3 LYS 113 HD3 LYS 113 1.398 -1.935 17.580 848 HE2 LYS 113 HE2 LYS 113 1.031 -2.705 15.333 849 HE3 LYS 113 HE3 LYS 113 1.139 -4.392 15.821 850 HZ1 LYS 113 HZ1 LYS 113 -1.005 -2.638 16.848 851 HZ2 LYS 113 HZ2 LYS 113 -1.151 -3.534 15.455 852 HZ3 LYS 113 HZ3 LYS 113 -0.922 -4.251 16.942 853 H LEU 114 H LEU 114 4.902 -7.156 15.569 854 HA LEU 114 HA LEU 114 4.833 -9.271 17.516 855 HB2 LEU 114 HB2 LEU 114 4.288 -9.108 14.938 856 HB3 LEU 114 HB3 LEU 114 6.004 -9.452 14.729 857 HG LEU 114 HG LEU 114 3.904 -11.191 16.079 858 HD11 LEU 114 HD11 LEU 114 3.834 -11.098 13.597 859 HD12 LEU 114 HD12 LEU 114 5.538 -11.596 13.539 860 HD13 LEU 114 HD13 LEU 114 4.297 -12.691 14.204 861 HD21 LEU 114 HD21 LEU 114 6.899 -11.577 15.758 862 HD22 LEU 114 HD22 LEU 114 5.928 -11.525 17.257 863 HD23 LEU 114 HD23 LEU 114 5.768 -12.894 16.157 864 H VAL 115 H VAL 115 7.482 -7.782 15.689 865 HA VAL 115 HA VAL 115 9.540 -9.318 17.102 866 HB VAL 115 HB VAL 115 9.832 -6.888 15.303 867 HG11 VAL 115 HG11 VAL 115 11.905 -8.834 16.443 868 HG12 VAL 115 HG12 VAL 115 12.208 -7.645 15.165 869 HG13 VAL 115 HG13 VAL 115 11.796 -7.094 16.791 870 HG21 VAL 115 HG21 VAL 115 8.956 -8.834 14.094 871 HG22 VAL 115 HG22 VAL 115 10.668 -8.631 13.691 872 HG23 VAL 115 HG23 VAL 115 10.177 -9.886 14.839 873 H GLU 116 H GLU 116 8.533 -5.861 17.388 874 HA GLU 116 HA GLU 116 9.997 -5.221 19.638 875 HB2 GLU 116 HB2 GLU 116 8.539 -3.747 18.269 876 HB3 GLU 116 HB3 GLU 116 7.122 -4.341 19.129 877 HG2 GLU 116 HG2 GLU 116 9.491 -2.973 20.468 878 HG3 GLU 116 HG3 GLU 116 8.154 -2.075 19.761 879 H GLU 117 H GLU 117 7.065 -7.246 19.706 880 HA GLU 117 HA GLU 117 6.786 -7.298 22.608 881 HB2 GLU 117 HB2 GLU 117 5.762 -8.997 20.303 882 HB3 GLU 117 HB3 GLU 117 5.410 -9.403 21.979 883 HG2 GLU 117 HG2 GLU 117 4.857 -6.600 21.142 884 HG3 GLU 117 HG3 GLU 117 3.803 -7.858 20.478 885 H ALA 118 H ALA 118 8.812 -8.996 20.352 886 HA ALA 118 HA ALA 118 9.313 -11.319 22.011 887 HB1 ALA 118 HB1 ALA 118 10.997 -10.180 19.739 888 HB2 ALA 118 HB2 ALA 118 11.046 -11.826 20.367 889 HB3 ALA 118 HB3 ALA 118 9.598 -11.249 19.533 890 H GLN 119 H GLN 119 11.234 -8.308 21.475 891 HA GLN 119 HA GLN 119 12.967 -8.547 23.649 892 HB2 GLN 119 HB2 GLN 119 11.784 -6.106 22.262 893 HB3 GLN 119 HB3 GLN 119 13.044 -6.024 23.457 894 HG2 GLN 119 HG2 GLN 119 14.376 -5.938 21.664 895 HG3 GLN 119 HG3 GLN 119 14.320 -7.706 21.865 896 HE21 GLN 119 HE22 GLN 119 13.084 -8.934 20.384 897 HE22 GLN 119 HE21 GLN 119 11.953 -8.096 19.326 Start of MODEL 4 1 H SER 1 H SER 1 19.757 -3.778 14.526 2 HA SER 1 HA SER 1 17.068 -3.242 15.502 3 HB2 SER 1 HB2 SER 1 19.602 -1.586 15.805 4 HB3 SER 1 HB3 SER 1 18.133 -1.481 16.798 5 HG SER 1 HG SER 1 19.787 -2.762 17.756 6 H GLU 2 H GLU 2 18.989 -1.834 12.837 7 HA GLU 2 HA GLU 2 17.117 0.425 12.551 8 HB2 GLU 2 HB2 GLU 2 19.413 -0.632 10.862 9 HB3 GLU 2 HB3 GLU 2 18.313 0.594 10.253 10 HG2 GLU 2 HG2 GLU 2 19.951 0.854 12.801 11 HG3 GLU 2 HG3 GLU 2 20.331 1.603 11.246 12 H ALA 3 H ALA 3 17.325 -2.868 11.232 13 HA ALA 3 HA ALA 3 15.297 -2.681 9.311 14 HB1 ALA 3 HB1 ALA 3 15.871 -4.985 11.225 15 HB2 ALA 3 HB2 ALA 3 15.048 -5.098 9.672 16 HB3 ALA 3 HB3 ALA 3 16.757 -4.647 9.718 17 H LEU 4 H LEU 4 14.949 -2.766 12.855 18 HA LEU 4 HA LEU 4 12.065 -2.977 12.925 19 HB2 LEU 4 HB2 LEU 4 13.780 -3.408 14.819 20 HB3 LEU 4 HB3 LEU 4 13.906 -1.656 14.951 21 HG LEU 4 HG LEU 4 11.375 -1.621 15.405 22 HD11 LEU 4 HD11 LEU 4 11.996 -4.554 15.886 23 HD12 LEU 4 HD12 LEU 4 10.468 -3.732 16.306 24 HD13 LEU 4 HD13 LEU 4 10.928 -3.940 14.604 25 HD21 LEU 4 HD21 LEU 4 13.225 -3.040 17.371 26 HD22 LEU 4 HD22 LEU 4 13.070 -1.282 17.167 27 HD23 LEU 4 HD23 LEU 4 11.698 -2.218 17.770 28 H ALA 5 H ALA 5 14.282 -0.255 12.421 29 HA ALA 5 HA ALA 5 12.191 1.781 12.799 30 HB1 ALA 5 HB1 ALA 5 14.436 2.321 13.548 31 HB2 ALA 5 HB2 ALA 5 15.103 1.978 11.941 32 HB3 ALA 5 HB3 ALA 5 13.991 3.341 12.169 33 H LYS 6 H LYS 6 13.709 -0.111 10.148 34 HA LYS 6 HA LYS 6 13.057 1.543 7.998 35 HB2 LYS 6 HB2 LYS 6 14.499 -0.462 7.888 36 HB3 LYS 6 HB3 LYS 6 13.066 -1.502 8.001 37 HG2 LYS 6 HG2 LYS 6 12.185 -0.604 5.897 38 HG3 LYS 6 HG3 LYS 6 13.478 0.610 5.831 39 HD2 LYS 6 HD2 LYS 6 15.160 -1.170 5.594 40 HD3 LYS 6 HD3 LYS 6 13.883 -2.406 5.688 41 HE2 LYS 6 HE2 LYS 6 12.848 -1.561 3.639 42 HE3 LYS 6 HE3 LYS 6 13.970 -0.190 3.593 43 HZ1 LYS 6 HZ1 LYS 6 14.885 -3.013 3.430 44 HZ2 LYS 6 HZ2 LYS 6 14.641 -2.046 2.089 45 HZ3 LYS 6 HZ3 LYS 6 15.780 -1.689 3.189 46 H LEU 7 H LEU 7 10.893 -0.830 9.562 47 HA LEU 7 HA LEU 7 8.701 -0.616 7.760 48 HB2 LEU 7 HB2 LEU 7 8.958 -1.223 10.712 49 HB3 LEU 7 HB3 LEU 7 7.373 -1.135 9.971 50 HG LEU 7 HG LEU 7 8.110 -3.423 10.219 51 HD11 LEU 7 HD11 LEU 7 8.051 -2.707 7.264 52 HD12 LEU 7 HD12 LEU 7 7.604 -4.250 8.016 53 HD13 LEU 7 HD13 LEU 7 6.634 -2.806 8.335 54 HD21 LEU 7 HD21 LEU 7 10.320 -2.860 8.210 55 HD22 LEU 7 HD22 LEU 7 10.541 -3.138 9.962 56 HD23 LEU 7 HD23 LEU 7 9.891 -4.419 8.932 57 H ILE 8 H ILE 8 9.670 1.632 10.333 58 HA ILE 8 HA ILE 8 7.307 3.303 10.102 59 HB ILE 8 HB ILE 8 9.969 3.930 11.384 60 HG12 ILE 8 HG12 ILE 8 8.912 1.963 12.386 61 HG13 ILE 8 HG13 ILE 8 8.910 3.331 13.486 62 HG21 ILE 8 HG21 ILE 8 7.268 5.325 11.487 63 HG22 ILE 8 HG22 ILE 8 8.579 5.616 12.644 64 HG23 ILE 8 HG23 ILE 8 8.817 5.991 10.934 65 HD11 ILE 8 HD11 ILE 8 6.487 3.700 12.971 66 HD12 ILE 8 HD12 ILE 8 6.522 2.276 11.898 67 HD13 ILE 8 HD13 ILE 8 6.813 2.098 13.638 68 H SER 9 H SER 9 10.628 3.448 8.784 69 HA SER 9 HA SER 9 10.212 5.991 7.409 70 HB2 SER 9 HB2 SER 9 12.414 3.920 7.089 71 HB3 SER 9 HB3 SER 9 12.456 5.608 6.546 72 HG SER 9 HG SER 9 13.516 5.126 8.594 73 H LEU 10 H LEU 10 9.599 2.699 6.653 74 HA LEU 10 HA LEU 10 9.327 2.777 3.796 75 HB2 LEU 10 HB2 LEU 10 9.718 0.811 5.189 76 HB3 LEU 10 HB3 LEU 10 8.140 1.022 5.956 77 HG LEU 10 HG LEU 10 7.053 0.521 3.776 78 HD11 LEU 10 HD11 LEU 10 9.940 0.085 2.867 79 HD12 LEU 10 HD12 LEU 10 8.527 -0.525 1.999 80 HD13 LEU 10 HD13 LEU 10 8.762 1.219 2.161 81 HD21 LEU 10 HD21 LEU 10 7.543 -1.250 5.405 82 HD22 LEU 10 HD22 LEU 10 7.727 -1.863 3.749 83 HD23 LEU 10 HD23 LEU 10 9.168 -1.459 4.707 84 H GLN 11 H GLN 11 7.281 3.950 6.405 85 HA GLN 11 HA GLN 11 4.785 3.602 4.988 86 HB2 GLN 11 HB2 GLN 11 5.583 4.568 7.685 87 HB3 GLN 11 HB3 GLN 11 4.015 5.072 7.086 88 HG2 GLN 11 HG2 GLN 11 3.283 2.801 6.738 89 HG3 GLN 11 HG3 GLN 11 4.890 2.160 7.133 90 HE21 GLN 11 HE22 GLN 11 5.569 2.060 9.287 91 HE22 GLN 11 HE21 GLN 11 4.459 2.508 10.601 92 H ALA 12 H ALA 12 3.349 5.122 4.266 93 HA ALA 12 HA ALA 12 4.540 7.135 2.641 94 HB1 ALA 12 HB1 ALA 12 1.619 6.426 3.149 95 HB2 ALA 12 HB2 ALA 12 2.239 7.363 1.774 96 HB3 ALA 12 HB3 ALA 12 2.690 5.664 1.952 97 H THR 13 H THR 13 3.904 9.309 2.365 98 HA THR 13 HA THR 13 3.035 10.796 4.818 99 HB THR 13 HB THR 13 3.944 12.798 3.539 100 HG1 THR 13 HG1 THR 13 4.684 12.467 1.609 101 HG21 THR 13 HG21 THR 13 5.904 10.531 4.143 102 HG22 THR 13 HG22 THR 13 6.296 12.262 4.021 103 HG23 THR 13 HG23 THR 13 5.251 11.677 5.326 104 H GLU 14 H GLU 14 2.265 10.469 1.351 105 HA GLU 14 HA GLU 14 -0.330 11.855 1.806 106 HB2 GLU 14 HB2 GLU 14 -0.044 13.030 -0.321 107 HB3 GLU 14 HB3 GLU 14 1.207 13.463 0.843 108 HG2 GLU 14 HG2 GLU 14 2.833 12.006 -0.305 109 HG3 GLU 14 HG3 GLU 14 1.574 11.445 -1.411 110 H ALA 15 H ALA 15 -2.029 11.408 0.302 111 HA ALA 15 HA ALA 15 -1.776 9.011 -1.403 112 HB1 ALA 15 HB1 ALA 15 -3.833 9.287 0.828 113 HB2 ALA 15 HB2 ALA 15 -3.745 7.961 -0.354 114 HB3 ALA 15 HB3 ALA 15 -2.441 8.179 0.826 115 H THR 16 H THR 16 -3.629 8.655 -2.815 116 HA THR 16 HA THR 16 -5.013 11.216 -3.580 117 HB THR 16 HB THR 16 -4.287 8.996 -5.499 118 HG1 THR 16 HG1 THR 16 -2.395 9.651 -5.198 119 HG21 THR 16 HG21 THR 16 -6.047 10.505 -6.300 120 HG22 THR 16 HG22 THR 16 -5.059 11.921 -5.888 121 HG23 THR 16 HG23 THR 16 -4.540 10.806 -7.175 122 H ILE 17 H ILE 17 -7.074 11.129 -2.941 123 HA ILE 17 HA ILE 17 -8.598 8.583 -2.891 124 HB ILE 17 HB ILE 17 -9.389 11.379 -1.987 125 HG12 ILE 17 HG12 ILE 17 -8.425 8.973 -0.388 126 HG13 ILE 17 HG13 ILE 17 -7.554 10.483 -0.621 127 HG21 ILE 17 HG21 ILE 17 -10.786 8.692 -1.569 128 HG22 ILE 17 HG22 ILE 17 -11.299 10.251 -0.879 129 HG23 ILE 17 HG23 ILE 17 -11.363 10.017 -2.605 130 HD11 ILE 17 HD11 ILE 17 -10.112 10.115 0.973 131 HD12 ILE 17 HD12 ILE 17 -8.507 10.464 1.589 132 HD13 ILE 17 HD13 ILE 17 -9.359 11.692 0.622 133 H VAL 18 H VAL 18 -10.188 8.023 -4.336 134 HA VAL 18 HA VAL 18 -10.809 9.950 -6.531 135 HB VAL 18 HB VAL 18 -11.057 6.941 -6.548 136 HG11 VAL 18 HG11 VAL 18 -11.317 7.241 -9.007 137 HG12 VAL 18 HG12 VAL 18 -12.643 7.965 -8.108 138 HG13 VAL 18 HG13 VAL 18 -11.360 9.001 -8.776 139 HG21 VAL 18 HG21 VAL 18 -8.913 8.730 -7.722 140 HG22 VAL 18 HG22 VAL 18 -8.715 7.460 -6.498 141 HG23 VAL 18 HG23 VAL 18 -9.163 7.026 -8.151 142 H THR 19 H THR 19 -12.790 10.463 -6.967 143 HA THR 19 HA THR 19 -15.045 9.646 -5.159 144 HB THR 19 HB THR 19 -14.483 12.445 -6.213 145 HG1 THR 19 HG1 THR 19 -12.787 11.981 -4.956 146 HG21 THR 19 HG21 THR 19 -16.776 12.059 -5.344 147 HG22 THR 19 HG22 THR 19 -16.081 11.475 -3.809 148 HG23 THR 19 HG23 THR 19 -15.843 13.157 -4.312 149 H LEU 20 H LEU 20 -17.091 9.455 -6.096 150 HA LEU 20 HA LEU 20 -17.204 9.709 -9.066 151 HB2 LEU 20 HB2 LEU 20 -19.039 8.098 -7.259 152 HB3 LEU 20 HB3 LEU 20 -19.065 8.161 -9.013 153 HG LEU 20 HG LEU 20 -16.735 7.085 -7.359 154 HD11 LEU 20 HD11 LEU 20 -17.462 4.883 -8.089 155 HD12 LEU 20 HD12 LEU 20 -18.757 5.683 -7.188 156 HD13 LEU 20 HD13 LEU 20 -18.837 5.585 -8.961 157 HD21 LEU 20 HD21 LEU 20 -15.977 7.914 -9.546 158 HD22 LEU 20 HD22 LEU 20 -15.959 6.149 -9.526 159 HD23 LEU 20 HD23 LEU 20 -17.265 7.009 -10.369 160 H ASP 21 H ASP 21 -18.366 11.289 -9.987 161 HA ASP 21 HA ASP 21 -19.994 12.975 -8.130 162 HB2 ASP 21 HB2 ASP 21 -17.610 13.669 -9.100 163 HB3 ASP 21 HB3 ASP 21 -18.563 14.166 -10.465 164 H SER 22 H SER 22 -20.975 10.987 -10.445 165 HA SER 22 HA SER 22 -23.203 12.817 -11.205 166 HB2 SER 22 HB2 SER 22 -21.625 11.280 -13.258 167 HB3 SER 22 HB3 SER 22 -23.304 11.776 -13.510 168 HG SER 22 HG SER 22 -21.699 13.211 -14.315 169 H ASP 23 H ASP 23 -22.313 9.517 -12.157 170 HA ASP 23 HA ASP 23 -24.072 8.106 -10.418 171 HB2 ASP 23 HB2 ASP 23 -25.792 9.003 -11.989 172 HB3 ASP 23 HB3 ASP 23 -24.950 8.258 -13.345 173 H ASN 24 H ASN 24 -21.674 7.657 -10.341 174 HA ASN 24 HA ASN 24 -19.730 6.715 -10.775 175 HB2 ASN 24 HB2 ASN 24 -19.716 4.297 -11.332 176 HB3 ASN 24 HB3 ASN 24 -20.798 4.764 -10.040 177 HD21 ASN 24 HD22 ASN 24 -22.901 4.288 -10.218 178 HD22 ASN 24 HD21 ASN 24 -23.552 3.412 -11.608 179 H ILE 25 H ILE 25 -21.390 7.380 -13.679 180 HA ILE 25 HA ILE 25 -19.261 6.792 -15.490 181 HB ILE 25 HB ILE 25 -20.507 8.245 -17.049 182 HG12 ILE 25 HG12 ILE 25 -22.388 8.804 -14.704 183 HG13 ILE 25 HG13 ILE 25 -21.264 9.965 -15.411 184 HG21 ILE 25 HG21 ILE 25 -22.427 6.804 -17.221 185 HG22 ILE 25 HG22 ILE 25 -21.072 5.843 -16.631 186 HG23 ILE 25 HG23 ILE 25 -22.336 6.373 -15.501 187 HD11 ILE 25 HD11 ILE 25 -23.679 8.716 -16.777 188 HD12 ILE 25 HD12 ILE 25 -23.462 10.400 -16.280 189 HD13 ILE 25 HD13 ILE 25 -22.474 9.739 -17.601 190 H LEU 26 H LEU 26 -19.118 9.057 -13.113 191 HA LEU 26 HA LEU 26 -17.147 10.767 -14.575 192 HB2 LEU 26 HB2 LEU 26 -19.222 11.994 -14.399 193 HB3 LEU 26 HB3 LEU 26 -19.359 11.629 -12.682 194 HG LEU 26 HG LEU 26 -17.486 13.059 -12.140 195 HD11 LEU 26 HD11 LEU 26 -17.245 13.617 -15.113 196 HD12 LEU 26 HD12 LEU 26 -16.406 14.489 -13.805 197 HD13 LEU 26 HD13 LEU 26 -16.034 12.794 -14.095 198 HD21 LEU 26 HD21 LEU 26 -19.725 14.116 -12.424 199 HD22 LEU 26 HD22 LEU 26 -18.416 15.236 -12.819 200 HD23 LEU 26 HD23 LEU 26 -19.343 14.460 -14.119 201 H LEU 27 H LEU 27 -15.321 10.717 -13.742 202 HA LEU 27 HA LEU 27 -14.803 9.968 -10.861 203 HB2 LEU 27 HB2 LEU 27 -13.143 9.376 -13.338 204 HB3 LEU 27 HB3 LEU 27 -12.503 9.296 -11.703 205 HG LEU 27 HG LEU 27 -14.206 7.569 -11.111 206 HD11 LEU 27 HD11 LEU 27 -14.762 7.590 -14.111 207 HD12 LEU 27 HD12 LEU 27 -15.188 6.253 -13.021 208 HD13 LEU 27 HD13 LEU 27 -15.941 7.819 -12.794 209 HD21 LEU 27 HD21 LEU 27 -11.918 6.965 -11.678 210 HD22 LEU 27 HD22 LEU 27 -13.026 5.756 -12.315 211 HD23 LEU 27 HD23 LEU 27 -12.318 6.953 -13.420 212 H SER 28 H SER 28 -13.856 11.383 -9.570 213 HA SER 28 HA SER 28 -12.112 13.583 -10.610 214 HB2 SER 28 HB2 SER 28 -14.397 14.462 -10.332 215 HB3 SER 28 HB3 SER 28 -14.461 13.810 -8.688 216 HG SER 28 HG SER 28 -13.950 15.868 -8.448 217 H GLU 29 H GLU 29 -10.331 14.041 -9.208 218 HA GLU 29 HA GLU 29 -10.158 12.265 -6.814 219 HB2 GLU 29 HB2 GLU 29 -7.747 12.923 -8.484 220 HB3 GLU 29 HB3 GLU 29 -7.995 11.686 -7.255 221 HG2 GLU 29 HG2 GLU 29 -8.036 10.413 -9.132 222 HG3 GLU 29 HG3 GLU 29 -9.752 10.660 -8.835 223 H GLU 30 H GLU 30 -8.992 12.773 -5.071 224 HA GLU 30 HA GLU 30 -8.238 15.637 -4.587 225 HB2 GLU 30 HB2 GLU 30 -9.157 13.745 -2.411 226 HB3 GLU 30 HB3 GLU 30 -9.099 15.503 -2.411 227 HG2 GLU 30 HG2 GLU 30 -11.005 15.442 -4.118 228 HG3 GLU 30 HG3 GLU 30 -11.106 13.695 -3.824 229 H GLN 31 H GLN 31 -6.288 15.991 -3.305 230 HA GLN 31 HA GLN 31 -4.711 13.510 -2.709 231 HB2 GLN 31 HB2 GLN 31 -3.455 16.197 -3.208 232 HB3 GLN 31 HB3 GLN 31 -2.713 14.605 -2.934 233 HG2 GLN 31 HG2 GLN 31 -4.141 13.966 -5.113 234 HG3 GLN 31 HG3 GLN 31 -3.922 15.696 -5.437 235 HE21 GLN 31 HE21 GLN 31 -2.278 12.609 -4.808 236 HE22 GLN 31 HE22 GLN 31 -0.727 13.128 -5.487 237 H VAL 32 H VAL 32 -4.152 13.129 -0.693 238 HA VAL 32 HA VAL 32 -4.605 15.222 1.404 239 HB VAL 32 HB VAL 32 -5.795 13.644 2.762 240 HG11 VAL 32 HG11 VAL 32 -7.104 13.625 0.023 241 HG12 VAL 32 HG12 VAL 32 -7.891 13.499 1.606 242 HG13 VAL 32 HG13 VAL 32 -7.096 15.013 1.136 243 HG21 VAL 32 HG21 VAL 32 -4.779 11.506 2.024 244 HG22 VAL 32 HG22 VAL 32 -6.537 11.451 1.999 245 HG23 VAL 32 HG23 VAL 32 -5.642 11.636 0.474 246 H ASP 33 H ASP 33 -3.750 14.789 3.452 247 HA ASP 33 HA ASP 33 -1.151 13.400 3.525 248 HB2 ASP 33 HB2 ASP 33 -2.787 15.043 5.472 249 HB3 ASP 33 HB3 ASP 33 -1.527 13.979 6.087 250 H VAL 34 H VAL 34 -0.678 11.497 4.702 251 HA VAL 34 HA VAL 34 -2.568 9.451 4.526 252 HB VAL 34 HB VAL 34 -0.099 9.217 4.557 253 HG11 VAL 34 HG11 VAL 34 0.442 10.551 6.563 254 HG12 VAL 34 HG12 VAL 34 -0.357 9.339 7.592 255 HG13 VAL 34 HG13 VAL 34 1.090 8.911 6.678 256 HG21 VAL 34 HG21 VAL 34 -1.591 7.243 4.723 257 HG22 VAL 34 HG22 VAL 34 -0.033 7.012 5.535 258 HG23 VAL 34 HG23 VAL 34 -1.486 7.331 6.496 259 H GLU 35 H GLU 35 -2.172 11.611 7.237 260 HA GLU 35 HA GLU 35 -3.600 10.149 9.253 261 HB2 GLU 35 HB2 GLU 35 -3.181 13.043 8.749 262 HB3 GLU 35 HB3 GLU 35 -3.985 12.446 10.202 263 HG2 GLU 35 HG2 GLU 35 -1.999 11.332 10.966 264 HG3 GLU 35 HG3 GLU 35 -1.182 11.566 9.420 265 H LEU 36 H LEU 36 -4.737 11.815 6.393 266 HA LEU 36 HA LEU 36 -7.473 12.200 7.463 267 HB2 LEU 36 HB2 LEU 36 -6.237 13.189 4.887 268 HB3 LEU 36 HB3 LEU 36 -7.707 13.777 5.649 269 HG LEU 36 HG LEU 36 -4.860 14.149 6.691 270 HD11 LEU 36 HD11 LEU 36 -6.863 16.105 5.505 271 HD12 LEU 36 HD12 LEU 36 -5.259 16.512 6.144 272 HD13 LEU 36 HD13 LEU 36 -5.403 15.492 4.703 273 HD21 LEU 36 HD21 LEU 36 -6.433 14.023 8.589 274 HD22 LEU 36 HD22 LEU 36 -5.865 15.676 8.346 275 HD23 LEU 36 HD23 LEU 36 -7.494 15.215 7.802 276 H VAL 37 H VAL 37 -5.998 9.790 5.648 277 HA VAL 37 HA VAL 37 -8.402 9.216 3.985 278 HB VAL 37 HB VAL 37 -6.310 9.060 2.813 279 HG11 VAL 37 HG11 VAL 37 -5.524 6.845 4.751 280 HG12 VAL 37 HG12 VAL 37 -4.678 7.267 3.247 281 HG13 VAL 37 HG13 VAL 37 -4.746 8.435 4.564 282 HG21 VAL 37 HG21 VAL 37 -8.155 7.600 2.138 283 HG22 VAL 37 HG22 VAL 37 -6.575 6.861 1.828 284 HG23 VAL 37 HG23 VAL 37 -7.545 6.307 3.201 285 H GLN 38 H GLN 38 -9.691 7.453 4.293 286 HA GLN 38 HA GLN 38 -9.513 6.079 6.956 287 HB2 GLN 38 HB2 GLN 38 -11.913 7.173 5.464 288 HB3 GLN 38 HB3 GLN 38 -12.018 6.180 6.919 289 HG2 GLN 38 HG2 GLN 38 -10.898 7.881 8.245 290 HG3 GLN 38 HG3 GLN 38 -10.658 8.905 6.816 291 HE21 GLN 38 HE22 GLN 38 -13.290 8.612 5.677 292 HE22 GLN 38 HE21 GLN 38 -14.406 9.193 6.893 293 H ARG 39 H ARG 39 -10.858 4.130 7.046 294 HA ARG 39 HA ARG 39 -10.045 2.364 4.873 295 HB2 ARG 39 HB2 ARG 39 -10.554 0.557 6.303 296 HB3 ARG 39 HB3 ARG 39 -9.818 1.824 7.274 297 HG2 ARG 39 HG2 ARG 39 -12.313 2.483 7.826 298 HG3 ARG 39 HG3 ARG 39 -12.690 0.871 7.192 299 HD2 ARG 39 HD2 ARG 39 -11.172 -0.158 8.835 300 HD3 ARG 39 HD3 ARG 39 -10.679 1.451 9.408 301 HE ARG 39 HE ARG 39 -13.542 1.128 9.590 302 HH11 ARG 39 HH11 ARG 39 -10.574 0.308 11.304 303 HH12 ARG 39 HH12 ARG 39 -11.421 0.219 12.835 304 HH21 ARG 39 HH21 ARG 39 -14.499 0.998 11.589 305 HH22 ARG 39 HH22 ARG 39 -13.574 0.446 12.962 306 H GLY 40 H GLY 40 -12.473 4.272 4.632 307 HA2 GLY 40 HA2 GLY 40 -14.083 2.414 2.924 308 HA3 GLY 40 HA3 GLY 40 -14.739 3.855 3.703 309 H ASP 41 H ASP 41 -11.589 4.621 2.567 310 HA ASP 41 HA ASP 41 -12.689 5.993 0.190 311 HB2 ASP 41 HB2 ASP 41 -9.986 6.091 1.563 312 HB3 ASP 41 HB3 ASP 41 -10.389 6.991 0.106 313 H ILE 42 H ILE 42 -11.852 5.845 -1.892 314 HA ILE 42 HA ILE 42 -10.484 3.287 -2.650 315 HB ILE 42 HB ILE 42 -12.330 5.025 -4.297 316 HG12 ILE 42 HG12 ILE 42 -13.650 3.887 -2.608 317 HG13 ILE 42 HG13 ILE 42 -13.918 3.187 -4.189 318 HG21 ILE 42 HG21 ILE 42 -12.237 3.104 -5.902 319 HG22 ILE 42 HG22 ILE 42 -10.701 3.951 -5.725 320 HG23 ILE 42 HG23 ILE 42 -10.935 2.385 -4.925 321 HD11 ILE 42 HD11 ILE 42 -13.851 1.453 -2.482 322 HD12 ILE 42 HD12 ILE 42 -12.498 1.247 -3.606 323 HD13 ILE 42 HD13 ILE 42 -12.227 1.946 -1.989 324 H ILE 43 H ILE 43 -8.413 3.508 -3.406 325 HA ILE 43 HA ILE 43 -7.428 6.189 -4.129 326 HB ILE 43 HB ILE 43 -6.047 3.694 -3.083 327 HG12 ILE 43 HG12 ILE 43 -7.554 4.376 -1.351 328 HG13 ILE 43 HG13 ILE 43 -5.914 4.762 -0.884 329 HG21 ILE 43 HG21 ILE 43 -4.182 5.171 -2.468 330 HG22 ILE 43 HG22 ILE 43 -4.456 5.148 -4.209 331 HG23 ILE 43 HG23 ILE 43 -4.991 6.538 -3.248 332 HD11 ILE 43 HD11 ILE 43 -7.954 6.767 -1.927 333 HD12 ILE 43 HD12 ILE 43 -7.499 6.531 -0.246 334 HD13 ILE 43 HD13 ILE 43 -6.301 7.158 -1.395 335 H LYS 44 H LYS 44 -6.729 6.601 -6.212 336 HA LYS 44 HA LYS 44 -5.941 4.386 -7.988 337 HB2 LYS 44 HB2 LYS 44 -7.249 6.215 -8.861 338 HB3 LYS 44 HB3 LYS 44 -5.922 7.347 -8.561 339 HG2 LYS 44 HG2 LYS 44 -4.504 6.238 -10.142 340 HG3 LYS 44 HG3 LYS 44 -5.526 4.799 -10.207 341 HD2 LYS 44 HD2 LYS 44 -6.484 7.508 -11.158 342 HD3 LYS 44 HD3 LYS 44 -5.607 6.356 -12.192 343 HE2 LYS 44 HE2 LYS 44 -7.375 4.637 -11.669 344 HE3 LYS 44 HE3 LYS 44 -8.295 5.913 -10.845 345 HZ1 LYS 44 HZ1 LYS 44 -8.433 7.117 -12.913 346 HZ2 LYS 44 HZ2 LYS 44 -7.488 6.008 -13.698 347 HZ3 LYS 44 HZ3 LYS 44 -8.968 5.576 -13.174 348 H VAL 45 H VAL 45 -4.046 3.503 -8.098 349 HA VAL 45 HA VAL 45 -1.616 4.994 -7.242 350 HB VAL 45 HB VAL 45 -2.190 2.908 -6.050 351 HG11 VAL 45 HG11 VAL 45 -1.515 1.479 -8.645 352 HG12 VAL 45 HG12 VAL 45 -1.785 0.745 -7.064 353 HG13 VAL 45 HG13 VAL 45 -3.116 1.591 -7.861 354 HG21 VAL 45 HG21 VAL 45 0.053 1.958 -6.053 355 HG22 VAL 45 HG22 VAL 45 0.432 2.733 -7.606 356 HG23 VAL 45 HG23 VAL 45 0.157 3.723 -6.152 357 H VAL 46 H VAL 46 -0.039 5.507 -8.614 358 HA VAL 46 HA VAL 46 -0.461 4.995 -11.480 359 HB VAL 46 HB VAL 46 1.015 6.866 -11.852 360 HG11 VAL 46 HG11 VAL 46 -0.787 7.566 -9.515 361 HG12 VAL 46 HG12 VAL 46 -0.207 8.637 -10.798 362 HG13 VAL 46 HG13 VAL 46 -1.340 7.334 -11.191 363 HG21 VAL 46 HG21 VAL 46 2.049 8.126 -9.992 364 HG22 VAL 46 HG22 VAL 46 1.617 6.808 -8.886 365 HG23 VAL 46 HG23 VAL 46 2.758 6.525 -10.204 366 HA PRO 47 HA PRO 47 3.207 2.457 -12.196 367 HB2 PRO 47 HB2 PRO 47 4.382 3.667 -14.401 368 HB3 PRO 47 HB3 PRO 47 2.983 2.546 -14.477 369 HG2 PRO 47 HG2 PRO 47 2.968 5.576 -14.424 370 HG3 PRO 47 HG3 PRO 47 2.073 4.496 -15.532 371 HD2 PRO 47 HD2 PRO 47 0.816 5.522 -13.419 372 HD3 PRO 47 HD3 PRO 47 0.591 3.799 -13.798 373 H GLY 48 H GLY 48 5.096 2.452 -11.250 374 HA2 GLY 48 HA2 GLY 48 7.107 3.099 -10.291 375 HA3 GLY 48 HA3 GLY 48 6.827 4.782 -10.752 376 H GLY 49 H GLY 49 3.958 4.025 -9.365 377 HA2 GLY 49 HA2 GLY 49 4.517 5.485 -6.975 378 HA3 GLY 49 HA3 GLY 49 2.989 4.726 -7.406 379 H LYS 50 H LYS 50 3.956 4.868 -4.797 380 HA LYS 50 HA LYS 50 4.506 1.990 -4.122 381 HB2 LYS 50 HB2 LYS 50 4.978 4.443 -2.399 382 HB3 LYS 50 HB3 LYS 50 5.343 2.764 -1.967 383 HG2 LYS 50 HG2 LYS 50 6.997 2.664 -3.821 384 HG3 LYS 50 HG3 LYS 50 6.632 4.352 -4.211 385 HD2 LYS 50 HD2 LYS 50 7.311 4.985 -1.859 386 HD3 LYS 50 HD3 LYS 50 7.809 3.302 -1.604 387 HE2 LYS 50 HE2 LYS 50 9.391 3.530 -3.546 388 HE3 LYS 50 HE3 LYS 50 8.905 5.222 -3.712 389 HZ1 LYS 50 HZ1 LYS 50 9.754 5.615 -1.456 390 HZ2 LYS 50 HZ2 LYS 50 10.197 4.038 -1.310 391 HZ3 LYS 50 HZ3 LYS 50 10.941 4.987 -2.421 392 H PHE 51 H PHE 51 3.155 0.927 -2.787 393 HA PHE 51 HA PHE 51 0.438 1.889 -2.542 394 HB2 PHE 51 HB2 PHE 51 1.808 -0.553 -1.387 395 HB3 PHE 51 HB3 PHE 51 0.082 -0.240 -1.256 396 HD1 PHE 51 HD2 PHE 51 -1.308 -0.003 -3.402 397 HD2 PHE 51 HD1 PHE 51 2.709 -1.540 -3.362 398 HE1 PHE 51 HE2 PHE 51 -1.636 -0.963 -5.667 399 HE2 PHE 51 HE1 PHE 51 2.417 -2.389 -5.665 400 HZ PHE 51 HZ PHE 51 0.233 -2.110 -6.830 401 HA PRO 52 HA PRO 52 1.250 3.972 1.359 402 HB2 PRO 52 HB2 PRO 52 -1.124 5.284 1.744 403 HB3 PRO 52 HB3 PRO 52 0.062 5.748 0.495 404 HG2 PRO 52 HG2 PRO 52 -2.397 3.993 0.159 405 HG3 PRO 52 HG3 PRO 52 -1.899 5.401 -0.834 406 HD2 PRO 52 HD2 PRO 52 -1.326 2.875 -1.614 407 HD3 PRO 52 HD3 PRO 52 -0.144 4.189 -1.836 408 H VAL 53 H VAL 53 -1.228 1.509 1.139 409 HA VAL 53 HA VAL 53 -1.223 0.888 3.929 410 HB VAL 53 HB VAL 53 -3.821 0.981 4.066 411 HG11 VAL 53 HG11 VAL 53 -2.249 3.530 4.561 412 HG12 VAL 53 HG12 VAL 53 -3.760 3.022 5.335 413 HG13 VAL 53 HG13 VAL 53 -2.277 2.106 5.629 414 HG21 VAL 53 HG21 VAL 53 -3.379 3.447 2.340 415 HG22 VAL 53 HG22 VAL 53 -4.207 1.959 1.805 416 HG23 VAL 53 HG23 VAL 53 -4.878 2.941 3.126 417 H ASP 54 H ASP 54 -2.307 -1.221 4.294 418 HA ASP 54 HA ASP 54 -2.232 -2.718 1.771 419 HB2 ASP 54 HB2 ASP 54 -1.954 -4.652 2.898 420 HB3 ASP 54 HB3 ASP 54 -1.026 -3.471 3.816 421 H GLY 55 H GLY 55 -3.757 -3.960 0.781 422 HA2 GLY 55 HA2 GLY 55 -6.487 -4.223 1.541 423 HA3 GLY 55 HA3 GLY 55 -6.307 -2.714 0.648 424 H ARG 56 H ARG 56 -7.712 -3.577 -0.906 425 HA ARG 56 HA ARG 56 -6.667 -5.788 -2.653 426 HB2 ARG 56 HB2 ARG 56 -8.443 -6.601 -1.348 427 HB3 ARG 56 HB3 ARG 56 -9.433 -5.184 -1.638 428 HG2 ARG 56 HG2 ARG 56 -9.777 -5.844 -3.984 429 HG3 ARG 56 HG3 ARG 56 -8.681 -7.221 -3.776 430 HD2 ARG 56 HD2 ARG 56 -11.017 -7.932 -3.674 431 HD3 ARG 56 HD3 ARG 56 -10.182 -8.245 -2.157 432 HE ARG 56 HE ARG 56 -12.136 -5.996 -2.662 433 HH11 ARG 56 HH11 ARG 56 -10.623 -8.107 -0.229 434 HH12 ARG 56 HH12 ARG 56 -11.803 -7.598 0.954 435 HH21 ARG 56 HH21 ARG 56 -13.319 -5.268 -1.053 436 HH22 ARG 56 HH22 ARG 56 -13.209 -5.938 0.558 437 H VAL 57 H VAL 57 -6.945 -5.787 -4.783 438 HA VAL 57 HA VAL 57 -7.060 -3.152 -6.159 439 HB VAL 57 HB VAL 57 -6.092 -5.861 -7.184 440 HG11 VAL 57 HG11 VAL 57 -5.603 -3.021 -8.171 441 HG12 VAL 57 HG12 VAL 57 -4.883 -4.500 -8.856 442 HG13 VAL 57 HG13 VAL 57 -6.617 -4.243 -8.970 443 HG21 VAL 57 HG21 VAL 57 -4.428 -3.662 -5.932 444 HG22 VAL 57 HG22 VAL 57 -4.656 -5.305 -5.310 445 HG23 VAL 57 HG23 VAL 57 -3.786 -5.052 -6.824 446 H ILE 58 H ILE 58 -8.777 -2.699 -7.520 447 HA ILE 58 HA ILE 58 -10.359 -4.964 -8.680 448 HB ILE 58 HB ILE 58 -12.455 -3.485 -7.974 449 HG12 ILE 58 HG12 ILE 58 -10.622 -2.981 -5.614 450 HG13 ILE 58 HG13 ILE 58 -10.841 -1.761 -6.890 451 HG21 ILE 58 HG21 ILE 58 -12.803 -4.952 -6.099 452 HG22 ILE 58 HG22 ILE 58 -12.029 -5.852 -7.407 453 HG23 ILE 58 HG23 ILE 58 -11.077 -5.327 -6.000 454 HD11 ILE 58 HD11 ILE 58 -13.266 -1.712 -6.506 455 HD12 ILE 58 HD12 ILE 58 -13.078 -2.852 -5.145 456 HD13 ILE 58 HD13 ILE 58 -12.338 -1.239 -5.071 457 H GLU 59 H GLU 59 -8.508 -2.980 -9.892 458 HA GLU 59 HA GLU 59 -10.030 -2.812 -12.342 459 HB2 GLU 59 HB2 GLU 59 -10.696 -0.635 -11.091 460 HB3 GLU 59 HB3 GLU 59 -8.993 -0.205 -11.155 461 HG2 GLU 59 HG2 GLU 59 -10.150 0.940 -12.907 462 HG3 GLU 59 HG3 GLU 59 -9.019 -0.194 -13.612 463 H GLY 60 H GLY 60 -8.549 -3.061 -14.035 464 HA2 GLY 60 HA2 GLY 60 -6.726 -2.368 -15.325 465 HA3 GLY 60 HA3 GLY 60 -6.004 -1.602 -13.931 466 H HIS 61 H HIS 61 -4.103 -2.445 -14.886 467 HA HIS 61 HA HIS 61 -3.334 -5.097 -13.799 468 HB2 HIS 61 HB2 HIS 61 -2.368 -5.921 -15.826 469 HB3 HIS 61 HB3 HIS 61 -4.059 -5.548 -16.130 470 HD1 HIS 61 HD1 HIS 61 -0.566 -4.619 -17.285 471 HD2 HIS 61 HD2 HIS 61 -4.530 -3.233 -17.640 472 HE1 HIS 61 HE1 HIS 61 -0.567 -2.932 -19.196 473 H SER 62 H SER 62 -1.347 -5.109 -12.928 474 HA SER 62 HA SER 62 0.793 -3.513 -14.057 475 HB2 SER 62 HB2 SER 62 -0.508 -2.119 -12.147 476 HB3 SER 62 HB3 SER 62 0.679 -2.959 -11.131 477 HG SER 62 HG SER 62 1.029 -0.848 -12.505 478 H MET 63 H MET 63 2.842 -3.776 -12.595 479 HA MET 63 HA MET 63 3.066 -6.559 -11.511 480 HB2 MET 63 HB2 MET 63 4.144 -6.260 -13.741 481 HB3 MET 63 HB3 MET 63 5.135 -4.965 -13.074 482 HG2 MET 63 HG2 MET 63 6.639 -6.423 -12.373 483 HG3 MET 63 HG3 MET 63 5.461 -7.240 -11.345 484 HE1 MET 63 HE1 MET 63 4.505 -9.519 -11.718 485 HE2 MET 63 HE2 MET 63 3.439 -8.702 -12.890 486 HE3 MET 63 HE3 MET 63 4.226 -10.238 -13.310 487 H VAL 64 H VAL 64 3.938 -6.721 -9.514 488 HA VAL 64 HA VAL 64 4.848 -4.225 -8.167 489 HB VAL 64 HB VAL 64 2.941 -6.372 -7.199 490 HG11 VAL 64 HG11 VAL 64 4.064 -4.024 -5.614 491 HG12 VAL 64 HG12 VAL 64 2.685 -5.033 -5.124 492 HG13 VAL 64 HG13 VAL 64 4.288 -5.748 -5.258 493 HG21 VAL 64 HG21 VAL 64 1.885 -4.711 -8.643 494 HG22 VAL 64 HG22 VAL 64 1.428 -4.355 -6.970 495 HG23 VAL 64 HG23 VAL 64 2.672 -3.389 -7.773 496 H ASP 65 H ASP 65 6.395 -4.229 -6.701 497 HA ASP 65 HA ASP 65 7.962 -6.759 -6.296 498 HB2 ASP 65 HB2 ASP 65 9.195 -5.057 -7.478 499 HB3 ASP 65 HB3 ASP 65 8.858 -3.868 -6.210 500 H GLU 66 H GLU 66 7.377 -7.724 -4.485 501 HA GLU 66 HA GLU 66 6.598 -6.235 -2.064 502 HB2 GLU 66 HB2 GLU 66 6.306 -9.174 -2.708 503 HB3 GLU 66 HB3 GLU 66 5.526 -8.262 -1.394 504 HG2 GLU 66 HG2 GLU 66 4.290 -6.946 -3.140 505 HG3 GLU 66 HG3 GLU 66 4.946 -8.046 -4.367 506 H SER 67 H SER 67 9.470 -6.507 -2.706 507 HA SER 67 HA SER 67 10.886 -8.546 -1.724 508 HB2 SER 67 HB2 SER 67 12.734 -7.013 -1.443 509 HB3 SER 67 HB3 SER 67 11.800 -6.577 -2.888 510 HG SER 67 HG SER 67 10.977 -4.823 -1.821 511 H LEU 68 H LEU 68 9.450 -6.165 0.501 512 HA LEU 68 HA LEU 68 10.983 -7.262 2.797 513 HB2 LEU 68 HB2 LEU 68 10.768 -4.767 2.127 514 HB3 LEU 68 HB3 LEU 68 9.122 -4.858 2.676 515 HG LEU 68 HG LEU 68 10.389 -3.806 4.341 516 HD11 LEU 68 HD11 LEU 68 10.101 -6.630 5.419 517 HD12 LEU 68 HD12 LEU 68 10.136 -5.117 6.333 518 HD13 LEU 68 HD13 LEU 68 8.770 -5.457 5.264 519 HD21 LEU 68 HD21 LEU 68 12.637 -4.559 3.669 520 HD22 LEU 68 HD22 LEU 68 12.374 -4.655 5.415 521 HD23 LEU 68 HD23 LEU 68 12.334 -6.136 4.433 522 H ILE 69 H ILE 69 7.611 -6.422 1.948 523 HA ILE 69 HA ILE 69 6.609 -7.429 4.416 524 HB ILE 69 HB ILE 69 4.758 -7.209 2.056 525 HG12 ILE 69 HG12 ILE 69 5.998 -5.183 1.782 526 HG13 ILE 69 HG13 ILE 69 4.421 -4.830 2.427 527 HG21 ILE 69 HG21 ILE 69 3.803 -7.996 4.146 528 HG22 ILE 69 HG22 ILE 69 4.520 -6.648 5.046 529 HG23 ILE 69 HG23 ILE 69 3.235 -6.349 3.868 530 HD11 ILE 69 HD11 ILE 69 7.018 -4.771 3.997 531 HD12 ILE 69 HD12 ILE 69 6.062 -3.390 3.431 532 HD13 ILE 69 HD13 ILE 69 5.406 -4.465 4.683 533 H THR 70 H THR 70 6.193 -8.981 1.159 534 HA THR 70 HA THR 70 5.509 -11.529 2.500 535 HB THR 70 HB THR 70 4.880 -12.361 0.356 536 HG1 THR 70 HG1 THR 70 4.954 -10.643 -1.380 537 HG21 THR 70 HG21 THR 70 3.306 -10.781 1.618 538 HG22 THR 70 HG22 THR 70 3.821 -9.508 0.489 539 HG23 THR 70 HG23 THR 70 3.009 -10.966 -0.114 540 H GLY 71 H GLY 71 8.264 -10.019 1.057 541 HA2 GLY 71 HA2 GLY 71 10.441 -10.664 1.368 542 HA3 GLY 71 HA3 GLY 71 9.919 -12.248 1.924 543 H GLU 72 H GLU 72 8.463 -11.714 -0.996 544 HA GLU 72 HA GLU 72 9.625 -13.867 -2.243 545 HB2 GLU 72 HB2 GLU 72 8.163 -11.517 -3.492 546 HB3 GLU 72 HB3 GLU 72 8.561 -12.970 -4.398 547 HG2 GLU 72 HG2 GLU 72 6.891 -13.050 -1.858 548 HG3 GLU 72 HG3 GLU 72 6.210 -12.809 -3.462 549 H ALA 73 H ALA 73 10.411 -10.526 -3.282 550 HA ALA 73 HA ALA 73 12.250 -9.557 -4.053 551 HB1 ALA 73 HB1 ALA 73 13.868 -12.046 -3.464 552 HB2 ALA 73 HB2 ALA 73 14.475 -10.419 -3.803 553 HB3 ALA 73 HB3 ALA 73 13.562 -10.721 -2.313 554 H MET 74 H MET 74 10.338 -10.803 -5.572 555 HA MET 74 HA MET 74 11.580 -10.845 -8.188 556 HB2 MET 74 HB2 MET 74 10.440 -12.893 -8.882 557 HB3 MET 74 HB3 MET 74 11.778 -13.175 -7.776 558 HG2 MET 74 HG2 MET 74 10.174 -13.545 -5.944 559 HG3 MET 74 HG3 MET 74 8.827 -13.206 -7.043 560 HE1 MET 74 HE1 MET 74 7.667 -15.298 -6.345 561 HE2 MET 74 HE2 MET 74 8.275 -16.965 -6.479 562 HE3 MET 74 HE3 MET 74 8.945 -15.861 -5.255 563 HA PRO 75 HA PRO 75 7.905 -8.599 -9.031 564 HB2 PRO 75 HB2 PRO 75 7.837 -9.939 -11.731 565 HB3 PRO 75 HB3 PRO 75 7.767 -8.195 -11.309 566 HG2 PRO 75 HG2 PRO 75 10.056 -9.300 -12.241 567 HG3 PRO 75 HG3 PRO 75 10.078 -8.085 -10.924 568 HD2 PRO 75 HD2 PRO 75 10.374 -11.087 -10.686 569 HD3 PRO 75 HD3 PRO 75 11.194 -9.756 -9.836 570 H VAL 76 H VAL 76 5.830 -8.773 -8.534 571 HA VAL 76 HA VAL 76 4.326 -11.345 -8.832 572 HB VAL 76 HB VAL 76 4.107 -9.116 -6.766 573 HG11 VAL 76 HG11 VAL 76 2.515 -10.589 -5.584 574 HG12 VAL 76 HG12 VAL 76 1.875 -10.073 -7.153 575 HG13 VAL 76 HG13 VAL 76 2.528 -11.707 -6.955 576 HG21 VAL 76 HG21 VAL 76 6.061 -10.557 -6.373 577 HG22 VAL 76 HG22 VAL 76 4.821 -10.883 -5.162 578 HG23 VAL 76 HG23 VAL 76 5.049 -12.010 -6.517 579 H ALA 77 H ALA 77 2.281 -11.351 -9.787 580 HA ALA 77 HA ALA 77 1.666 -8.926 -11.367 581 HB1 ALA 77 HB1 ALA 77 0.528 -11.740 -11.497 582 HB2 ALA 77 HB2 ALA 77 0.206 -10.425 -12.644 583 HB3 ALA 77 HB3 ALA 77 1.843 -11.093 -12.501 584 H LYS 78 H LYS 78 -0.011 -7.580 -11.088 585 HA LYS 78 HA LYS 78 -2.250 -8.346 -9.233 586 HB2 LYS 78 HB2 LYS 78 -1.108 -5.555 -9.594 587 HB3 LYS 78 HB3 LYS 78 -2.412 -6.030 -8.513 588 HG2 LYS 78 HG2 LYS 78 0.519 -6.801 -8.284 589 HG3 LYS 78 HG3 LYS 78 -0.364 -5.627 -7.302 590 HD2 LYS 78 HD2 LYS 78 -1.683 -7.346 -6.241 591 HD3 LYS 78 HD3 LYS 78 -1.024 -8.588 -7.316 592 HE2 LYS 78 HE2 LYS 78 1.276 -8.088 -6.465 593 HE3 LYS 78 HE3 LYS 78 0.584 -6.935 -5.321 594 HZ1 LYS 78 HZ1 LYS 78 -0.030 -9.838 -5.383 595 HZ2 LYS 78 HZ2 LYS 78 0.962 -9.060 -4.289 596 HZ3 LYS 78 HZ3 LYS 78 -0.653 -8.755 -4.318 597 H LYS 79 H LYS 79 -4.295 -7.980 -9.850 598 HA LYS 79 HA LYS 79 -5.020 -6.383 -12.180 599 HB2 LYS 79 HB2 LYS 79 -5.785 -8.165 -13.494 600 HB3 LYS 79 HB3 LYS 79 -4.242 -8.714 -12.919 601 HG2 LYS 79 HG2 LYS 79 -5.500 -9.955 -11.043 602 HG3 LYS 79 HG3 LYS 79 -6.981 -9.574 -11.927 603 HD2 LYS 79 HD2 LYS 79 -4.624 -11.164 -13.005 604 HD3 LYS 79 HD3 LYS 79 -6.171 -11.823 -12.440 605 HE2 LYS 79 HE2 LYS 79 -7.237 -10.220 -14.200 606 HE3 LYS 79 HE3 LYS 79 -5.617 -10.123 -14.894 607 HZ1 LYS 79 HZ1 LYS 79 -7.282 -12.558 -14.582 608 HZ2 LYS 79 HZ2 LYS 79 -6.854 -11.846 -15.974 609 HZ3 LYS 79 HZ3 LYS 79 -5.694 -12.597 -15.079 610 HA PRO 80 HA PRO 80 -8.775 -6.028 -9.646 611 HB2 PRO 80 HB2 PRO 80 -10.955 -7.070 -11.041 612 HB3 PRO 80 HB3 PRO 80 -10.265 -5.439 -11.291 613 HG2 PRO 80 HG2 PRO 80 -9.639 -7.971 -12.835 614 HG3 PRO 80 HG3 PRO 80 -10.054 -6.351 -13.485 615 HD2 PRO 80 HD2 PRO 80 -7.505 -7.085 -13.342 616 HD3 PRO 80 HD3 PRO 80 -7.965 -5.456 -12.782 617 H GLY 81 H GLY 81 -9.573 -7.178 -7.958 618 HA2 GLY 81 HA2 GLY 81 -10.262 -8.999 -6.672 619 HA3 GLY 81 HA3 GLY 81 -9.992 -10.096 -8.027 620 H SER 82 H SER 82 -7.279 -7.970 -7.255 621 HA SER 82 HA SER 82 -5.820 -10.301 -6.031 622 HB2 SER 82 HB2 SER 82 -4.675 -7.892 -7.490 623 HB3 SER 82 HB3 SER 82 -3.755 -9.198 -6.744 624 HG SER 82 HG SER 82 -5.141 -10.572 -8.293 625 H THR 83 H THR 83 -4.118 -9.597 -4.336 626 HA THR 83 HA THR 83 -5.059 -7.194 -2.808 627 HB THR 83 HB THR 83 -4.321 -8.318 -0.788 628 HG1 THR 83 HG1 THR 83 -3.846 -10.543 -0.930 629 HG21 THR 83 HG21 THR 83 -6.687 -8.589 -1.554 630 HG22 THR 83 HG22 THR 83 -6.227 -10.103 -2.363 631 HG23 THR 83 HG23 THR 83 -6.097 -9.960 -0.600 632 H VAL 84 H VAL 84 -3.588 -5.921 -1.712 633 HA VAL 84 HA VAL 84 -0.699 -6.164 -2.432 634 HB VAL 84 HB VAL 84 -0.695 -3.666 -2.771 635 HG11 VAL 84 HG11 VAL 84 -2.260 -5.349 -4.754 636 HG12 VAL 84 HG12 VAL 84 -1.501 -3.787 -5.102 637 HG13 VAL 84 HG13 VAL 84 -0.495 -5.169 -4.649 638 HG21 VAL 84 HG21 VAL 84 -2.727 -2.508 -3.381 639 HG22 VAL 84 HG22 VAL 84 -3.711 -3.960 -3.116 640 HG23 VAL 84 HG23 VAL 84 -2.918 -3.150 -1.746 641 H ILE 85 H ILE 85 0.747 -4.912 -1.165 642 HA ILE 85 HA ILE 85 -0.192 -4.168 1.533 643 HB ILE 85 HB ILE 85 2.211 -5.204 2.173 644 HG12 ILE 85 HG12 ILE 85 2.365 -7.535 1.361 645 HG13 ILE 85 HG13 ILE 85 1.107 -7.240 0.170 646 HG21 ILE 85 HG21 ILE 85 -0.466 -6.615 2.161 647 HG22 ILE 85 HG22 ILE 85 0.934 -7.102 3.135 648 HG23 ILE 85 HG23 ILE 85 0.196 -5.523 3.406 649 HD11 ILE 85 HD11 ILE 85 2.589 -5.644 -1.010 650 HD12 ILE 85 HD12 ILE 85 3.806 -5.844 0.273 651 HD13 ILE 85 HD13 ILE 85 3.390 -7.207 -0.779 652 H ALA 86 H ALA 86 0.880 -2.612 2.604 653 HA ALA 86 HA ALA 86 1.706 -0.540 0.914 654 HB1 ALA 86 HB1 ALA 86 2.013 -0.672 3.933 655 HB2 ALA 86 HB2 ALA 86 1.870 0.781 2.926 656 HB3 ALA 86 HB3 ALA 86 0.495 -0.326 3.089 657 H GLY 87 H GLY 87 3.636 0.692 0.775 658 HA2 GLY 87 HA2 GLY 87 5.973 1.093 0.894 659 HA3 GLY 87 HA3 GLY 87 6.138 -0.320 1.955 660 H SER 88 H SER 88 4.421 -1.460 -0.627 661 HA SER 88 HA SER 88 6.844 -2.433 -2.068 662 HB2 SER 88 HB2 SER 88 3.949 -3.309 -2.285 663 HB3 SER 88 HB3 SER 88 5.333 -4.027 -3.131 664 HG SER 88 HG SER 88 4.726 -3.970 -0.382 665 H ILE 89 H ILE 89 6.913 -2.322 -4.392 666 HA ILE 89 HA ILE 89 5.953 0.338 -5.323 667 HB ILE 89 HB ILE 89 8.119 -1.096 -6.786 668 HG12 ILE 89 HG12 ILE 89 8.915 -1.542 -4.533 669 HG13 ILE 89 HG13 ILE 89 9.928 -0.406 -5.387 670 HG21 ILE 89 HG21 ILE 89 7.653 1.809 -5.971 671 HG22 ILE 89 HG22 ILE 89 9.008 1.227 -6.959 672 HG23 ILE 89 HG23 ILE 89 7.355 1.086 -7.562 673 HD11 ILE 89 HD11 ILE 89 9.085 1.465 -4.081 674 HD12 ILE 89 HD12 ILE 89 7.895 0.422 -3.267 675 HD13 ILE 89 HD13 ILE 89 9.628 0.176 -2.999 676 H ASN 90 H ASN 90 5.045 0.662 -7.361 677 HA ASN 90 HA ASN 90 3.885 -1.728 -8.737 678 HB2 ASN 90 HB2 ASN 90 2.364 -0.229 -7.406 679 HB3 ASN 90 HB3 ASN 90 2.901 1.144 -8.359 680 HD21 ASN 90 HD22 ASN 90 1.633 1.626 -10.089 681 HD22 ASN 90 HD21 ASN 90 0.487 0.491 -10.783 682 H GLN 91 H GLN 91 4.070 -1.922 -11.030 683 HA GLN 91 HA GLN 91 5.236 0.282 -12.614 684 HB2 GLN 91 HB2 GLN 91 7.030 -1.145 -11.341 685 HB3 GLN 91 HB3 GLN 91 6.598 -2.429 -12.455 686 HG2 GLN 91 HG2 GLN 91 8.475 -1.449 -13.436 687 HG3 GLN 91 HG3 GLN 91 7.165 -0.694 -14.343 688 HE21 GLN 91 HE22 GLN 91 6.757 1.663 -13.939 689 HE22 GLN 91 HE21 GLN 91 7.894 2.556 -12.925 690 H ASN 92 H ASN 92 4.592 0.215 -14.722 691 HA ASN 92 HA ASN 92 4.186 -0.455 -16.776 692 HB2 ASN 92 HB2 ASN 92 5.134 -2.708 -16.462 693 HB3 ASN 92 HB3 ASN 92 3.552 -3.281 -15.919 694 HD21 ASN 92 HD22 ASN 92 2.158 -4.048 -17.523 695 HD22 ASN 92 HD21 ASN 92 2.342 -3.638 -19.221 696 H GLY 93 H GLY 93 2.086 -0.037 -14.270 697 HA2 GLY 93 HA2 GLY 93 0.142 1.015 -16.019 698 HA3 GLY 93 HA3 GLY 93 -0.369 -0.601 -15.584 699 H SER 94 H SER 94 -1.898 1.595 -15.034 700 HA SER 94 HA SER 94 -1.631 2.238 -12.156 701 HB2 SER 94 HB2 SER 94 -3.108 4.079 -12.509 702 HB3 SER 94 HB3 SER 94 -1.810 4.143 -13.700 703 HG SER 94 HG SER 94 -3.419 3.046 -15.151 704 H LEU 95 H LEU 95 -3.184 1.817 -10.664 705 HA LEU 95 HA LEU 95 -5.452 0.013 -11.423 706 HB2 LEU 95 HB2 LEU 95 -3.485 -0.170 -9.130 707 HB3 LEU 95 HB3 LEU 95 -4.834 -1.256 -9.366 708 HG LEU 95 HG LEU 95 -2.411 -1.020 -11.212 709 HD11 LEU 95 HD11 LEU 95 -3.022 -2.991 -8.969 710 HD12 LEU 95 HD12 LEU 95 -1.692 -3.137 -10.138 711 HD13 LEU 95 HD13 LEU 95 -1.716 -1.785 -9.001 712 HD21 LEU 95 HD21 LEU 95 -4.376 -1.955 -12.309 713 HD22 LEU 95 HD22 LEU 95 -3.220 -3.265 -11.964 714 HD23 LEU 95 HD23 LEU 95 -4.662 -3.072 -10.962 715 H LEU 96 H LEU 96 -7.146 -0.144 -9.774 716 HA LEU 96 HA LEU 96 -7.292 2.181 -7.888 717 HB2 LEU 96 HB2 LEU 96 -9.546 0.688 -9.258 718 HB3 LEU 96 HB3 LEU 96 -9.795 1.682 -7.847 719 HG LEU 96 HG LEU 96 -8.462 2.834 -10.328 720 HD11 LEU 96 HD11 LEU 96 -11.427 2.944 -9.634 721 HD12 LEU 96 HD12 LEU 96 -10.609 3.759 -10.989 722 HD13 LEU 96 HD13 LEU 96 -10.725 1.996 -10.954 723 HD21 LEU 96 HD21 LEU 96 -8.249 4.119 -8.207 724 HD22 LEU 96 HD22 LEU 96 -9.320 4.955 -9.353 725 HD23 LEU 96 HD23 LEU 96 -10.007 4.058 -7.998 726 H ILE 97 H ILE 97 -7.113 1.781 -5.866 727 HA ILE 97 HA ILE 97 -7.297 -0.999 -4.848 728 HB ILE 97 HB ILE 97 -5.772 1.294 -3.596 729 HG12 ILE 97 HG12 ILE 97 -4.849 1.226 -5.832 730 HG13 ILE 97 HG13 ILE 97 -3.707 0.672 -4.630 731 HG21 ILE 97 HG21 ILE 97 -6.125 -0.647 -2.172 732 HG22 ILE 97 HG22 ILE 97 -5.501 -1.732 -3.424 733 HG23 ILE 97 HG23 ILE 97 -4.418 -0.568 -2.639 734 HD11 ILE 97 HD11 ILE 97 -3.987 -1.621 -5.275 735 HD12 ILE 97 HD12 ILE 97 -5.340 -1.224 -6.365 736 HD13 ILE 97 HD13 ILE 97 -3.698 -0.669 -6.739 737 H CYS 98 H CYS 98 -8.848 -1.445 -3.334 738 HA CYS 98 HA CYS 98 -10.173 0.807 -1.901 739 HB2 CYS 98 HB2 CYS 98 -11.746 -0.887 -1.085 740 HB3 CYS 98 HB3 CYS 98 -11.713 -0.767 -2.845 741 HG CYS 98 HG CYS 98 -9.996 -2.890 -1.021 742 H ALA 99 H ALA 99 -9.179 1.541 -0.192 743 HA ALA 99 HA ALA 99 -7.267 -0.075 1.357 744 HB1 ALA 99 HB1 ALA 99 -8.275 2.792 1.642 745 HB2 ALA 99 HB2 ALA 99 -6.988 2.052 2.612 746 HB3 ALA 99 HB3 ALA 99 -6.763 2.274 0.861 747 H THR 100 H THR 100 -7.983 -1.429 2.916 748 HA THR 100 HA THR 100 -10.460 -0.705 4.436 749 HB THR 100 HB THR 100 -10.615 -2.576 2.766 750 HG1 THR 100 HG1 THR 100 -12.211 -2.389 4.176 751 HG21 THR 100 HG21 THR 100 -9.225 -4.182 4.941 752 HG22 THR 100 HG22 THR 100 -9.951 -4.790 3.444 753 HG23 THR 100 HG23 THR 100 -8.502 -3.775 3.364 754 H HIS 101 H HIS 101 -7.293 -0.567 4.946 755 HA HIS 101 HA HIS 101 -7.664 -0.742 7.865 756 HB2 HIS 101 HB2 HIS 101 -5.053 -1.504 6.516 757 HB3 HIS 101 HB3 HIS 101 -5.521 -1.740 8.193 758 HD1 HIS 101 HD1 HIS 101 -5.808 -3.331 4.742 759 HD2 HIS 101 HD2 HIS 101 -6.947 -4.021 8.736 760 HE1 HIS 101 HE1 HIS 101 -6.704 -5.711 4.831 761 H VAL 102 H VAL 102 -6.830 1.114 8.857 762 HA VAL 102 HA VAL 102 -5.536 3.184 7.163 763 HB VAL 102 HB VAL 102 -5.726 4.600 9.241 764 HG11 VAL 102 HG11 VAL 102 -8.085 5.076 8.868 765 HG12 VAL 102 HG12 VAL 102 -7.264 4.766 7.331 766 HG13 VAL 102 HG13 VAL 102 -8.304 3.518 8.051 767 HG21 VAL 102 HG21 VAL 102 -7.249 3.979 10.981 768 HG22 VAL 102 HG22 VAL 102 -7.662 2.452 10.187 769 HG23 VAL 102 HG23 VAL 102 -6.037 2.693 10.879 770 H GLY 103 H GLY 103 -3.709 4.511 8.708 771 HA2 GLY 103 HA2 GLY 103 -1.477 2.882 7.970 772 HA3 GLY 103 HA3 GLY 103 -1.449 4.440 8.802 773 H ALA 104 H ALA 104 -2.924 3.640 11.189 774 HA ALA 104 HA ALA 104 -0.808 2.286 12.655 775 HB1 ALA 104 HB1 ALA 104 -3.650 2.980 13.506 776 HB2 ALA 104 HB2 ALA 104 -2.295 2.582 14.575 777 HB3 ALA 104 HB3 ALA 104 -2.244 4.067 13.614 778 H ASP 105 H ASP 105 -3.890 1.259 11.277 779 HA ASP 105 HA ASP 105 -3.852 -1.375 12.517 780 HB2 ASP 105 HB2 ASP 105 -5.900 0.044 12.043 781 HB3 ASP 105 HB3 ASP 105 -5.726 -0.416 10.351 782 H THR 106 H THR 106 -2.191 -0.209 9.794 783 HA THR 106 HA THR 106 -2.584 -2.525 8.077 784 HB THR 106 HB THR 106 -2.017 -0.115 7.423 785 HG1 THR 106 HG1 THR 106 -1.762 -2.374 6.189 786 HG21 THR 106 HG21 THR 106 0.845 -1.083 7.496 787 HG22 THR 106 HG22 THR 106 0.219 0.529 7.088 788 HG23 THR 106 HG23 THR 106 0.163 -0.047 8.763 789 H THR 107 H THR 107 -0.970 -4.061 7.407 790 HA THR 107 HA THR 107 0.089 -5.422 9.560 791 HB THR 107 HB THR 107 -0.423 -6.462 7.429 792 HG1 THR 107 HG1 THR 107 0.763 -7.763 8.661 793 HG21 THR 107 HG21 THR 107 0.723 -4.832 5.891 794 HG22 THR 107 HG22 THR 107 2.285 -5.509 6.436 795 HG23 THR 107 HG23 THR 107 1.117 -6.534 5.592 796 H LEU 108 H LEU 108 1.954 -3.035 7.656 797 HA LEU 108 HA LEU 108 4.541 -3.511 8.725 798 HB2 LEU 108 HB2 LEU 108 3.160 -0.899 7.966 799 HB3 LEU 108 HB3 LEU 108 4.846 -1.009 8.421 800 HG LEU 108 HG LEU 108 5.367 -2.379 6.447 801 HD11 LEU 108 HD11 LEU 108 2.431 -1.983 5.766 802 HD12 LEU 108 HD12 LEU 108 3.684 -2.473 4.598 803 HD13 LEU 108 HD13 LEU 108 3.312 -3.535 5.941 804 HD21 LEU 108 HD21 LEU 108 5.497 0.062 6.410 805 HD22 LEU 108 HD22 LEU 108 4.973 -0.537 4.823 806 HD23 LEU 108 HD23 LEU 108 3.780 0.166 5.950 807 H SER 109 H SER 109 1.956 -1.412 9.995 808 HA SER 109 HA SER 109 3.383 -0.526 12.338 809 HB2 SER 109 HB2 SER 109 0.450 -0.483 11.530 810 HB3 SER 109 HB3 SER 109 1.097 0.319 12.977 811 HG SER 109 HG SER 109 0.941 1.478 10.770 812 H GLN 110 H GLN 110 1.327 -3.255 11.601 813 HA GLN 110 HA GLN 110 0.981 -4.158 14.387 814 HB2 GLN 110 HB2 GLN 110 -0.598 -4.767 12.622 815 HB3 GLN 110 HB3 GLN 110 0.647 -5.597 11.756 816 HG2 GLN 110 HG2 GLN 110 -0.574 -7.269 12.746 817 HG3 GLN 110 HG3 GLN 110 0.929 -7.220 13.661 818 HE21 GLN 110 HE22 GLN 110 -2.071 -5.190 13.865 819 HE22 GLN 110 HE21 GLN 110 -2.420 -5.685 15.503 820 H ILE 111 H ILE 111 3.252 -5.040 11.727 821 HA ILE 111 HA ILE 111 4.655 -7.100 13.014 822 HB ILE 111 HB ILE 111 5.476 -5.087 10.902 823 HG12 ILE 111 HG12 ILE 111 5.144 -8.089 10.557 824 HG13 ILE 111 HG13 ILE 111 3.727 -7.057 10.573 825 HG21 ILE 111 HG21 ILE 111 7.127 -7.462 11.876 826 HG22 ILE 111 HG22 ILE 111 7.446 -6.550 10.393 827 HG23 ILE 111 HG23 ILE 111 7.595 -5.747 11.946 828 HD11 ILE 111 HD11 ILE 111 4.607 -5.736 8.677 829 HD12 ILE 111 HD12 ILE 111 6.053 -6.750 8.622 830 HD13 ILE 111 HD13 ILE 111 4.462 -7.449 8.276 831 H VAL 112 H VAL 112 5.599 -3.581 13.054 832 HA VAL 112 HA VAL 112 7.800 -4.066 14.784 833 HB VAL 112 HB VAL 112 7.874 -1.678 15.218 834 HG11 VAL 112 HG11 VAL 112 7.298 -2.299 12.304 835 HG12 VAL 112 HG12 VAL 112 8.256 -0.945 12.946 836 HG13 VAL 112 HG13 VAL 112 8.835 -2.605 13.150 837 HG21 VAL 112 HG21 VAL 112 5.305 -1.474 13.565 838 HG22 VAL 112 HG22 VAL 112 5.413 -1.190 15.314 839 HG23 VAL 112 HG23 VAL 112 6.268 -0.127 14.195 840 H LYS 113 H LYS 113 4.464 -3.975 15.699 841 HA LYS 113 HA LYS 113 5.028 -3.447 18.560 842 HB2 LYS 113 HB2 LYS 113 2.549 -4.513 17.123 843 HB3 LYS 113 HB3 LYS 113 2.704 -4.376 18.872 844 HG2 LYS 113 HG2 LYS 113 3.139 -1.915 18.618 845 HG3 LYS 113 HG3 LYS 113 2.866 -2.075 16.890 846 HD2 LYS 113 HD2 LYS 113 0.860 -1.233 17.905 847 HD3 LYS 113 HD3 LYS 113 0.540 -2.884 17.326 848 HE2 LYS 113 HE2 LYS 113 0.813 -3.789 19.555 849 HE3 LYS 113 HE3 LYS 113 1.453 -2.249 20.147 850 HZ1 LYS 113 HZ1 LYS 113 -0.729 -1.266 19.781 851 HZ2 LYS 113 HZ2 LYS 113 -1.340 -2.705 19.243 852 HZ3 LYS 113 HZ3 LYS 113 -0.849 -2.549 20.814 853 H LEU 114 H LEU 114 4.986 -6.226 16.424 854 HA LEU 114 HA LEU 114 5.274 -8.209 18.598 855 HB2 LEU 114 HB2 LEU 114 4.219 -8.409 16.144 856 HB3 LEU 114 HB3 LEU 114 5.893 -8.733 15.688 857 HG LEU 114 HG LEU 114 4.193 -10.263 17.692 858 HD11 LEU 114 HD11 LEU 114 5.290 -11.051 14.955 859 HD12 LEU 114 HD12 LEU 114 4.323 -12.078 16.036 860 HD13 LEU 114 HD13 LEU 114 3.599 -10.633 15.315 861 HD21 LEU 114 HD21 LEU 114 6.107 -11.911 17.634 862 HD22 LEU 114 HD22 LEU 114 7.070 -10.677 16.790 863 HD23 LEU 114 HD23 LEU 114 6.479 -10.385 18.448 864 H VAL 115 H VAL 115 7.425 -6.986 15.973 865 HA VAL 115 HA VAL 115 9.644 -8.417 17.030 866 HB VAL 115 HB VAL 115 9.730 -6.137 15.031 867 HG11 VAL 115 HG11 VAL 115 11.618 -8.508 15.463 868 HG12 VAL 115 HG12 VAL 115 11.726 -7.327 14.143 869 HG13 VAL 115 HG13 VAL 115 12.008 -6.812 15.800 870 HG21 VAL 115 HG21 VAL 115 9.362 -9.140 14.597 871 HG22 VAL 115 HG22 VAL 115 8.143 -7.893 14.276 872 HG23 VAL 115 HG23 VAL 115 9.616 -7.936 13.318 873 H GLU 116 H GLU 116 8.466 -5.306 18.073 874 HA GLU 116 HA GLU 116 10.944 -4.423 19.296 875 HB2 GLU 116 HB2 GLU 116 8.950 -2.985 18.867 876 HB3 GLU 116 HB3 GLU 116 8.093 -3.801 20.167 877 HG2 GLU 116 HG2 GLU 116 10.821 -2.617 20.760 878 HG3 GLU 116 HG3 GLU 116 9.504 -1.501 20.448 879 H GLU 117 H GLU 117 8.510 -6.922 20.250 880 HA GLU 117 HA GLU 117 9.491 -7.195 22.973 881 HB2 GLU 117 HB2 GLU 117 7.784 -9.037 21.263 882 HB3 GLU 117 HB3 GLU 117 7.920 -9.031 23.019 883 HG2 GLU 117 HG2 GLU 117 6.719 -6.814 21.295 884 HG3 GLU 117 HG3 GLU 117 5.827 -8.056 22.107 885 H ALA 118 H ALA 118 10.639 -8.038 19.907 886 HA ALA 118 HA ALA 118 11.770 -10.678 20.578 887 HB1 ALA 118 HB1 ALA 118 11.892 -9.201 17.930 888 HB2 ALA 118 HB2 ALA 118 12.328 -10.884 18.259 889 HB3 ALA 118 HB3 ALA 118 10.636 -10.381 18.382 890 H GLN 119 H GLN 119 12.663 -7.441 21.006 891 HA GLN 119 HA GLN 119 15.495 -7.693 20.386 892 HB2 GLN 119 HB2 GLN 119 14.076 -5.555 22.010 893 HB3 GLN 119 HB3 GLN 119 15.715 -5.483 21.368 894 HG2 GLN 119 HG2 GLN 119 13.100 -5.426 19.831 895 HG3 GLN 119 HG3 GLN 119 14.351 -4.195 19.885 896 HE21 GLN 119 HE21 GLN 119 13.095 -6.765 18.059 897 HE22 GLN 119 HE22 GLN 119 14.497 -7.057 17.021 Start of MODEL 5 1 H SER 1 H SER 1 18.379 -4.557 14.873 2 HA SER 1 HA SER 1 15.837 -3.467 16.005 3 HB2 SER 1 HB2 SER 1 18.722 -3.068 16.875 4 HB3 SER 1 HB3 SER 1 17.303 -2.352 17.651 5 HG SER 1 HG SER 1 16.536 -4.462 18.073 6 H GLU 2 H GLU 2 18.787 -2.390 14.197 7 HA GLU 2 HA GLU 2 17.641 0.276 13.854 8 HB2 GLU 2 HB2 GLU 2 19.442 0.749 12.378 9 HB3 GLU 2 HB3 GLU 2 20.054 -0.040 13.832 10 HG2 GLU 2 HG2 GLU 2 20.334 -2.148 12.615 11 HG3 GLU 2 HG3 GLU 2 19.578 -1.461 11.172 12 H ALA 3 H ALA 3 17.282 -2.784 12.067 13 HA ALA 3 HA ALA 3 16.047 -1.689 9.740 14 HB1 ALA 3 HB1 ALA 3 15.619 -4.395 11.073 15 HB2 ALA 3 HB2 ALA 3 15.310 -3.976 9.377 16 HB3 ALA 3 HB3 ALA 3 16.965 -4.016 9.977 17 H LEU 4 H LEU 4 14.895 -1.612 12.956 18 HA LEU 4 HA LEU 4 12.189 -2.282 12.728 19 HB2 LEU 4 HB2 LEU 4 13.484 -1.843 14.828 20 HB3 LEU 4 HB3 LEU 4 13.487 -0.132 14.460 21 HG LEU 4 HG LEU 4 10.925 -0.190 14.578 22 HD11 LEU 4 HD11 LEU 4 10.654 -2.637 14.271 23 HD12 LEU 4 HD12 LEU 4 11.589 -2.906 15.766 24 HD13 LEU 4 HD13 LEU 4 10.001 -2.130 15.841 25 HD21 LEU 4 HD21 LEU 4 12.237 0.644 16.475 26 HD22 LEU 4 HD22 LEU 4 10.901 -0.339 17.075 27 HD23 LEU 4 HD23 LEU 4 12.536 -1.018 17.039 28 H ALA 5 H ALA 5 13.470 1.228 12.431 29 HA ALA 5 HA ALA 5 11.069 2.126 11.410 30 HB1 ALA 5 HB1 ALA 5 13.896 3.215 11.108 31 HB2 ALA 5 HB2 ALA 5 12.385 4.134 10.946 32 HB3 ALA 5 HB3 ALA 5 12.836 3.456 12.516 33 H LYS 6 H LYS 6 13.077 -0.022 9.607 34 HA LYS 6 HA LYS 6 12.956 1.398 7.060 35 HB2 LYS 6 HB2 LYS 6 14.651 -0.307 7.460 36 HB3 LYS 6 HB3 LYS 6 13.411 -1.569 7.580 37 HG2 LYS 6 HG2 LYS 6 12.833 -1.388 5.286 38 HG3 LYS 6 HG3 LYS 6 13.562 0.216 5.126 39 HD2 LYS 6 HD2 LYS 6 15.802 -0.745 5.372 40 HD3 LYS 6 HD3 LYS 6 15.115 -2.378 5.502 41 HE2 LYS 6 HE2 LYS 6 14.203 -2.250 3.259 42 HE3 LYS 6 HE3 LYS 6 14.588 -0.530 3.133 43 HZ1 LYS 6 HZ1 LYS 6 16.160 -2.071 1.974 44 HZ2 LYS 6 HZ2 LYS 6 16.916 -1.068 3.074 45 HZ3 LYS 6 HZ3 LYS 6 16.664 -2.625 3.434 46 H LEU 7 H LEU 7 10.982 -1.129 8.562 47 HA LEU 7 HA LEU 7 8.894 -1.465 6.714 48 HB2 LEU 7 HB2 LEU 7 8.926 -1.283 9.757 49 HB3 LEU 7 HB3 LEU 7 7.451 -1.625 8.889 50 HG LEU 7 HG LEU 7 8.536 -3.609 9.870 51 HD11 LEU 7 HD11 LEU 7 8.307 -3.676 6.834 52 HD12 LEU 7 HD12 LEU 7 8.289 -5.084 7.914 53 HD13 LEU 7 HD13 LEU 7 6.991 -3.892 8.017 54 HD21 LEU 7 HD21 LEU 7 10.901 -3.025 9.466 55 HD22 LEU 7 HD22 LEU 7 10.460 -4.646 8.904 56 HD23 LEU 7 HD23 LEU 7 10.664 -3.343 7.722 57 H ILE 8 H ILE 8 9.169 1.090 9.181 58 HA ILE 8 HA ILE 8 6.776 2.496 8.438 59 HB ILE 8 HB ILE 8 9.205 3.398 10.022 60 HG12 ILE 8 HG12 ILE 8 8.119 1.404 10.985 61 HG13 ILE 8 HG13 ILE 8 7.992 2.817 12.019 62 HG21 ILE 8 HG21 ILE 8 6.455 4.653 9.737 63 HG22 ILE 8 HG22 ILE 8 7.576 5.014 11.070 64 HG23 ILE 8 HG23 ILE 8 8.037 5.385 9.402 65 HD11 ILE 8 HD11 ILE 8 5.626 3.116 11.322 66 HD12 ILE 8 HD12 ILE 8 5.762 1.685 10.268 67 HD13 ILE 8 HD13 ILE 8 5.916 1.521 12.023 68 H SER 9 H SER 9 10.106 2.706 7.327 69 HA SER 9 HA SER 9 9.862 5.341 6.078 70 HB2 SER 9 HB2 SER 9 12.049 3.243 5.868 71 HB3 SER 9 HB3 SER 9 12.130 4.917 5.293 72 HG SER 9 HG SER 9 11.836 3.987 7.960 73 H LEU 10 H LEU 10 9.511 1.964 5.006 74 HA LEU 10 HA LEU 10 9.367 2.578 2.195 75 HB2 LEU 10 HB2 LEU 10 8.571 0.251 3.925 76 HB3 LEU 10 HB3 LEU 10 7.804 0.416 2.356 77 HG LEU 10 HG LEU 10 10.106 0.608 1.295 78 HD11 LEU 10 HD11 LEU 10 10.971 -0.585 3.953 79 HD12 LEU 10 HD12 LEU 10 11.977 -0.399 2.496 80 HD13 LEU 10 HD13 LEU 10 11.421 1.036 3.368 81 HD21 LEU 10 HD21 LEU 10 10.436 -1.850 1.341 82 HD22 LEU 10 HD22 LEU 10 9.282 -1.959 2.700 83 HD23 LEU 10 HD23 LEU 10 8.747 -1.404 1.103 84 H GLN 11 H GLN 11 6.990 3.146 4.740 85 HA GLN 11 HA GLN 11 4.683 3.076 2.999 86 HB2 GLN 11 HB2 GLN 11 5.029 4.441 5.704 87 HB3 GLN 11 HB3 GLN 11 3.509 4.136 4.863 88 HG2 GLN 11 HG2 GLN 11 3.899 1.698 5.022 89 HG3 GLN 11 HG3 GLN 11 5.393 1.980 5.923 90 HE21 GLN 11 HE22 GLN 11 1.863 2.051 6.091 91 HE22 GLN 11 HE21 GLN 11 1.798 2.540 7.778 92 H ALA 12 H ALA 12 3.587 4.596 1.954 93 HA ALA 12 HA ALA 12 4.834 7.147 1.310 94 HB1 ALA 12 HB1 ALA 12 2.070 6.036 0.712 95 HB2 ALA 12 HB2 ALA 12 2.792 7.481 -0.030 96 HB3 ALA 12 HB3 ALA 12 3.506 5.879 -0.316 97 H THR 13 H THR 13 4.020 9.240 1.790 98 HA THR 13 HA THR 13 2.651 9.447 4.432 99 HB THR 13 HB THR 13 4.186 11.720 3.204 100 HG1 THR 13 HG1 THR 13 6.047 10.956 4.116 101 HG21 THR 13 HG21 THR 13 2.860 11.831 5.400 102 HG22 THR 13 HG22 THR 13 4.006 10.652 6.048 103 HG23 THR 13 HG23 THR 13 4.567 12.255 5.551 104 H GLU 14 H GLU 14 1.949 9.708 1.245 105 HA GLU 14 HA GLU 14 -0.320 11.575 1.584 106 HB2 GLU 14 HB2 GLU 14 0.265 12.542 -0.622 107 HB3 GLU 14 HB3 GLU 14 1.325 12.995 0.692 108 HG2 GLU 14 HG2 GLU 14 2.027 10.756 -1.251 109 HG3 GLU 14 HG3 GLU 14 2.378 12.442 -1.593 110 H ALA 15 H ALA 15 -2.001 11.355 0.002 111 HA ALA 15 HA ALA 15 -2.004 8.940 -1.698 112 HB1 ALA 15 HB1 ALA 15 -4.058 9.413 0.505 113 HB2 ALA 15 HB2 ALA 15 -4.094 8.108 -0.703 114 HB3 ALA 15 HB3 ALA 15 -2.800 8.156 0.508 115 H THR 16 H THR 16 -3.731 8.874 -3.198 116 HA THR 16 HA THR 16 -5.164 11.472 -3.698 117 HB THR 16 HB THR 16 -4.414 9.372 -5.742 118 HG1 THR 16 HG1 THR 16 -2.762 10.815 -4.873 119 HG21 THR 16 HG21 THR 16 -6.528 10.566 -6.354 120 HG22 THR 16 HG22 THR 16 -5.727 12.122 -6.054 121 HG23 THR 16 HG23 THR 16 -5.190 11.066 -7.380 122 H ILE 17 H ILE 17 -7.192 11.415 -2.977 123 HA ILE 17 HA ILE 17 -8.764 8.895 -3.051 124 HB ILE 17 HB ILE 17 -9.779 11.585 -2.097 125 HG12 ILE 17 HG12 ILE 17 -8.359 9.464 -0.434 126 HG13 ILE 17 HG13 ILE 17 -7.785 11.097 -0.764 127 HG21 ILE 17 HG21 ILE 17 -10.659 8.724 -1.504 128 HG22 ILE 17 HG22 ILE 17 -11.446 10.206 -0.924 129 HG23 ILE 17 HG23 ILE 17 -11.469 9.835 -2.632 130 HD11 ILE 17 HD11 ILE 17 -10.177 10.339 0.943 131 HD12 ILE 17 HD12 ILE 17 -8.655 11.061 1.462 132 HD13 ILE 17 HD13 ILE 17 -9.775 12.010 0.462 133 H VAL 18 H VAL 18 -10.214 8.424 -4.616 134 HA VAL 18 HA VAL 18 -10.850 10.540 -6.636 135 HB VAL 18 HB VAL 18 -10.826 8.827 -8.366 136 HG11 VAL 18 HG11 VAL 18 -8.157 8.874 -6.905 137 HG12 VAL 18 HG12 VAL 18 -8.464 8.822 -8.659 138 HG13 VAL 18 HG13 VAL 18 -8.817 10.285 -7.741 139 HG21 VAL 18 HG21 VAL 18 -11.163 6.763 -7.048 140 HG22 VAL 18 HG22 VAL 18 -9.679 6.683 -8.009 141 HG23 VAL 18 HG23 VAL 18 -9.583 6.988 -6.268 142 H THR 19 H THR 19 -12.841 10.789 -7.353 143 HA THR 19 HA THR 19 -15.037 9.048 -6.255 144 HB THR 19 HB THR 19 -14.706 12.055 -6.001 145 HG1 THR 19 HG1 THR 19 -15.008 9.964 -4.106 146 HG21 THR 19 HG21 THR 19 -17.051 11.729 -6.375 147 HG22 THR 19 HG22 THR 19 -17.072 10.256 -5.384 148 HG23 THR 19 HG23 THR 19 -16.833 11.843 -4.624 149 H LEU 20 H LEU 20 -16.793 8.784 -7.465 150 HA LEU 20 HA LEU 20 -17.081 10.289 -10.030 151 HB2 LEU 20 HB2 LEU 20 -18.534 7.734 -9.297 152 HB3 LEU 20 HB3 LEU 20 -18.435 8.534 -10.858 153 HG LEU 20 HG LEU 20 -16.216 6.994 -9.465 154 HD11 LEU 20 HD11 LEU 20 -17.805 6.478 -12.021 155 HD12 LEU 20 HD12 LEU 20 -16.477 5.478 -11.398 156 HD13 LEU 20 HD13 LEU 20 -17.987 5.612 -10.487 157 HD21 LEU 20 HD21 LEU 20 -15.223 8.848 -10.684 158 HD22 LEU 20 HD22 LEU 20 -14.945 7.347 -11.574 159 HD23 LEU 20 HD23 LEU 20 -16.193 8.491 -12.123 160 H ASP 21 H ASP 21 -19.002 11.558 -10.269 161 HA ASP 21 HA ASP 21 -21.150 11.162 -8.248 162 HB2 ASP 21 HB2 ASP 21 -19.135 12.976 -7.731 163 HB3 ASP 21 HB3 ASP 21 -20.365 14.007 -8.416 164 H SER 22 H SER 22 -21.078 10.908 -11.170 165 HA SER 22 HA SER 22 -23.681 12.207 -11.608 166 HB2 SER 22 HB2 SER 22 -21.467 12.779 -13.592 167 HB3 SER 22 HB3 SER 22 -23.191 12.959 -13.943 168 HG SER 22 HG SER 22 -22.156 14.914 -13.243 169 H ASP 23 H ASP 23 -21.348 10.625 -13.767 170 HA ASP 23 HA ASP 23 -22.687 8.119 -13.931 171 HB2 ASP 23 HB2 ASP 23 -24.254 9.620 -15.291 172 HB3 ASP 23 HB3 ASP 23 -22.943 9.845 -16.442 173 H ASN 24 H ASN 24 -20.239 8.556 -13.202 174 HA ASN 24 HA ASN 24 -18.034 8.381 -13.433 175 HB2 ASN 24 HB2 ASN 24 -18.854 6.335 -14.883 176 HB3 ASN 24 HB3 ASN 24 -18.151 7.269 -16.217 177 HD21 ASN 24 HD22 ASN 24 -15.821 8.250 -14.808 178 HD22 ASN 24 HD21 ASN 24 -14.906 6.765 -14.511 179 H ILE 25 H ILE 25 -19.646 10.197 -15.966 180 HA ILE 25 HA ILE 25 -17.406 11.526 -17.053 181 HB ILE 25 HB ILE 25 -19.032 13.105 -17.933 182 HG12 ILE 25 HG12 ILE 25 -21.059 11.764 -16.069 183 HG13 ILE 25 HG13 ILE 25 -20.509 13.438 -15.997 184 HG21 ILE 25 HG21 ILE 25 -20.253 10.316 -18.015 185 HG22 ILE 25 HG22 ILE 25 -20.180 11.534 -19.301 186 HG23 ILE 25 HG23 ILE 25 -18.717 10.697 -18.791 187 HD11 ILE 25 HD11 ILE 25 -22.221 12.164 -18.154 188 HD12 ILE 25 HD12 ILE 25 -22.667 13.434 -17.007 189 HD13 ILE 25 HD13 ILE 25 -21.500 13.787 -18.300 190 H LEU 26 H LEU 26 -19.322 12.386 -14.187 191 HA LEU 26 HA LEU 26 -17.509 14.607 -13.541 192 HB2 LEU 26 HB2 LEU 26 -19.817 14.866 -12.989 193 HB3 LEU 26 HB3 LEU 26 -19.828 13.367 -12.047 194 HG LEU 26 HG LEU 26 -18.492 14.316 -10.308 195 HD11 LEU 26 HD11 LEU 26 -18.141 16.720 -12.132 196 HD12 LEU 26 HD12 LEU 26 -17.722 16.693 -10.403 197 HD13 LEU 26 HD13 LEU 26 -16.859 15.638 -11.525 198 HD21 LEU 26 HD21 LEU 26 -20.916 15.015 -10.413 199 HD22 LEU 26 HD22 LEU 26 -19.850 16.133 -9.539 200 HD23 LEU 26 HD23 LEU 26 -20.396 16.519 -11.184 201 H LEU 27 H LEU 27 -15.660 13.754 -13.482 202 HA LEU 27 HA LEU 27 -14.887 11.710 -11.431 203 HB2 LEU 27 HB2 LEU 27 -14.349 11.261 -13.834 204 HB3 LEU 27 HB3 LEU 27 -13.360 12.718 -13.868 205 HG LEU 27 HG LEU 27 -11.831 11.710 -12.172 206 HD11 LEU 27 HD11 LEU 27 -13.604 9.256 -12.542 207 HD12 LEU 27 HD12 LEU 27 -12.027 9.257 -11.727 208 HD13 LEU 27 HD13 LEU 27 -13.365 10.163 -11.020 209 HD21 LEU 27 HD21 LEU 27 -11.466 11.418 -14.621 210 HD22 LEU 27 HD22 LEU 27 -10.828 10.062 -13.678 211 HD23 LEU 27 HD23 LEU 27 -12.359 9.888 -14.566 212 H SER 28 H SER 28 -13.807 12.367 -9.626 213 HA SER 28 HA SER 28 -12.676 15.140 -9.506 214 HB2 SER 28 HB2 SER 28 -14.928 15.295 -8.729 215 HB3 SER 28 HB3 SER 28 -14.784 13.819 -7.770 216 HG SER 28 HG SER 28 -14.519 15.379 -6.343 217 H GLU 29 H GLU 29 -10.715 15.299 -8.417 218 HA GLU 29 HA GLU 29 -9.745 12.876 -6.985 219 HB2 GLU 29 HB2 GLU 29 -8.202 14.474 -9.054 220 HB3 GLU 29 HB3 GLU 29 -7.656 13.047 -8.165 221 HG2 GLU 29 HG2 GLU 29 -9.541 11.743 -9.276 222 HG3 GLU 29 HG3 GLU 29 -9.877 13.164 -10.257 223 H GLU 30 H GLU 30 -8.738 13.243 -5.124 224 HA GLU 30 HA GLU 30 -8.084 16.041 -4.244 225 HB2 GLU 30 HB2 GLU 30 -9.159 13.606 -2.769 226 HB3 GLU 30 HB3 GLU 30 -8.604 15.056 -1.956 227 HG2 GLU 30 HG2 GLU 30 -10.803 15.337 -4.006 228 HG3 GLU 30 HG3 GLU 30 -11.169 14.572 -2.457 229 H GLN 31 H GLN 31 -5.786 16.282 -3.928 230 HA GLN 31 HA GLN 31 -4.202 13.879 -3.232 231 HB2 GLN 31 HB2 GLN 31 -3.477 16.745 -3.955 232 HB3 GLN 31 HB3 GLN 31 -2.317 15.544 -3.392 233 HG2 GLN 31 HG2 GLN 31 -2.837 14.087 -5.292 234 HG3 GLN 31 HG3 GLN 31 -3.950 15.320 -5.959 235 HE21 GLN 31 HE22 GLN 31 -0.725 14.275 -5.477 236 HE22 GLN 31 HE21 GLN 31 -0.196 15.805 -5.112 237 H VAL 32 H VAL 32 -3.871 13.411 -1.177 238 HA VAL 32 HA VAL 32 -4.201 15.483 0.960 239 HB VAL 32 HB VAL 32 -5.535 13.939 2.251 240 HG11 VAL 32 HG11 VAL 32 -6.774 14.180 -0.508 241 HG12 VAL 32 HG12 VAL 32 -7.614 14.013 1.043 242 HG13 VAL 32 HG13 VAL 32 -6.696 15.486 0.696 243 HG21 VAL 32 HG21 VAL 32 -6.421 11.852 1.425 244 HG22 VAL 32 HG22 VAL 32 -5.580 12.042 -0.124 245 HG23 VAL 32 HG23 VAL 32 -4.662 11.767 1.374 246 H ASP 33 H ASP 33 -3.630 14.597 3.109 247 HA ASP 33 HA ASP 33 -1.001 13.262 3.134 248 HB2 ASP 33 HB2 ASP 33 -1.551 15.232 4.576 249 HB3 ASP 33 HB3 ASP 33 -2.726 14.246 5.435 250 H VAL 34 H VAL 34 -0.627 11.236 3.990 251 HA VAL 34 HA VAL 34 -2.590 9.225 3.700 252 HB VAL 34 HB VAL 34 -0.146 8.869 3.639 253 HG11 VAL 34 HG11 VAL 34 -0.301 8.746 6.686 254 HG12 VAL 34 HG12 VAL 34 1.103 8.391 5.675 255 HG13 VAL 34 HG13 VAL 34 0.475 10.045 5.760 256 HG21 VAL 34 HG21 VAL 34 -1.837 7.015 3.783 257 HG22 VAL 34 HG22 VAL 34 -0.207 6.605 4.354 258 HG23 VAL 34 HG23 VAL 34 -1.510 6.924 5.519 259 H GLU 35 H GLU 35 -2.046 11.215 6.534 260 HA GLU 35 HA GLU 35 -3.491 9.514 8.407 261 HB2 GLU 35 HB2 GLU 35 -1.782 11.269 8.933 262 HB3 GLU 35 HB3 GLU 35 -2.951 12.512 8.466 263 HG2 GLU 35 HG2 GLU 35 -4.436 11.872 10.288 264 HG3 GLU 35 HG3 GLU 35 -3.454 10.439 10.647 265 H LEU 36 H LEU 36 -4.519 11.720 5.885 266 HA LEU 36 HA LEU 36 -7.180 12.166 7.050 267 HB2 LEU 36 HB2 LEU 36 -6.011 12.968 4.360 268 HB3 LEU 36 HB3 LEU 36 -7.547 13.513 5.019 269 HG LEU 36 HG LEU 36 -4.805 14.134 6.195 270 HD11 LEU 36 HD11 LEU 36 -6.819 15.885 4.729 271 HD12 LEU 36 HD12 LEU 36 -5.312 16.441 5.484 272 HD13 LEU 36 HD13 LEU 36 -5.246 15.341 4.103 273 HD21 LEU 36 HD21 LEU 36 -7.569 15.070 7.049 274 HD22 LEU 36 HD22 LEU 36 -6.438 14.061 7.992 275 HD23 LEU 36 HD23 LEU 36 -6.025 15.735 7.628 276 H VAL 37 H VAL 37 -5.790 9.667 5.172 277 HA VAL 37 HA VAL 37 -8.398 8.953 3.944 278 HB VAL 37 HB VAL 37 -6.764 8.740 2.343 279 HG11 VAL 37 HG11 VAL 37 -4.795 7.283 2.453 280 HG12 VAL 37 HG12 VAL 37 -4.709 8.628 3.591 281 HG13 VAL 37 HG13 VAL 37 -5.093 6.992 4.179 282 HG21 VAL 37 HG21 VAL 37 -8.456 6.946 2.421 283 HG22 VAL 37 HG22 VAL 37 -6.925 6.406 1.705 284 HG23 VAL 37 HG23 VAL 37 -7.337 5.931 3.358 285 H GLN 38 H GLN 38 -9.599 8.519 5.627 286 HA GLN 38 HA GLN 38 -9.043 6.488 7.635 287 HB2 GLN 38 HB2 GLN 38 -10.471 8.720 7.766 288 HB3 GLN 38 HB3 GLN 38 -11.646 7.852 6.787 289 HG2 GLN 38 HG2 GLN 38 -11.884 6.211 8.513 290 HG3 GLN 38 HG3 GLN 38 -10.568 6.929 9.479 291 HE21 GLN 38 HE22 GLN 38 -13.709 7.914 8.049 292 HE22 GLN 38 HE21 GLN 38 -13.932 9.129 9.317 293 H ARG 39 H ARG 39 -10.593 4.540 7.733 294 HA ARG 39 HA ARG 39 -10.258 3.181 5.165 295 HB2 ARG 39 HB2 ARG 39 -10.928 1.176 6.258 296 HB3 ARG 39 HB3 ARG 39 -9.804 2.054 7.292 297 HG2 ARG 39 HG2 ARG 39 -12.162 2.972 8.287 298 HG3 ARG 39 HG3 ARG 39 -12.726 1.421 7.660 299 HD2 ARG 39 HD2 ARG 39 -11.059 0.232 9.016 300 HD3 ARG 39 HD3 ARG 39 -10.319 1.757 9.468 301 HE ARG 39 HE ARG 39 -12.171 2.319 10.852 302 HH11 ARG 39 HH11 ARG 39 -12.685 -0.931 9.600 303 HH12 ARG 39 HH12 ARG 39 -13.558 -1.400 11.049 304 HH21 ARG 39 HH21 ARG 39 -13.375 1.714 12.512 305 HH22 ARG 39 HH22 ARG 39 -14.037 0.104 12.608 306 H GLY 40 H GLY 40 -11.682 2.820 3.533 307 HA2 GLY 40 HA2 GLY 40 -13.992 1.901 3.143 308 HA3 GLY 40 HA3 GLY 40 -14.587 3.322 3.995 309 H ASP 41 H ASP 41 -11.820 4.051 1.973 310 HA ASP 41 HA ASP 41 -13.644 4.891 -0.258 311 HB2 ASP 41 HB2 ASP 41 -11.216 6.295 0.869 312 HB3 ASP 41 HB3 ASP 41 -11.991 6.730 -0.653 313 H ILE 42 H ILE 42 -12.419 5.371 -2.259 314 HA ILE 42 HA ILE 42 -10.670 3.074 -3.054 315 HB ILE 42 HB ILE 42 -12.560 4.703 -4.775 316 HG12 ILE 42 HG12 ILE 42 -13.842 3.096 -3.513 317 HG13 ILE 42 HG13 ILE 42 -13.716 2.580 -5.181 318 HG21 ILE 42 HG21 ILE 42 -10.572 2.528 -5.525 319 HG22 ILE 42 HG22 ILE 42 -11.889 3.094 -6.579 320 HG23 ILE 42 HG23 ILE 42 -10.619 4.213 -6.096 321 HD11 ILE 42 HD11 ILE 42 -12.261 1.425 -2.788 322 HD12 ILE 42 HD12 ILE 42 -13.497 0.648 -3.778 323 HD13 ILE 42 HD13 ILE 42 -11.895 0.951 -4.468 324 H ILE 43 H ILE 43 -8.599 3.605 -3.476 325 HA ILE 43 HA ILE 43 -7.816 6.425 -3.939 326 HB ILE 43 HB ILE 43 -6.425 4.041 -2.652 327 HG12 ILE 43 HG12 ILE 43 -8.199 4.704 -1.180 328 HG13 ILE 43 HG13 ILE 43 -6.660 5.203 -0.503 329 HG21 ILE 43 HG21 ILE 43 -5.493 6.931 -2.800 330 HG22 ILE 43 HG22 ILE 43 -4.741 5.652 -1.831 331 HG23 ILE 43 HG23 ILE 43 -4.753 5.527 -3.587 332 HD11 ILE 43 HD11 ILE 43 -8.373 6.914 -0.156 333 HD12 ILE 43 HD12 ILE 43 -7.095 7.546 -1.212 334 HD13 ILE 43 HD13 ILE 43 -8.661 7.033 -1.887 335 H LYS 44 H LYS 44 -6.804 6.907 -5.819 336 HA LYS 44 HA LYS 44 -5.977 4.872 -7.767 337 HB2 LYS 44 HB2 LYS 44 -7.133 6.910 -8.375 338 HB3 LYS 44 HB3 LYS 44 -5.735 7.862 -7.827 339 HG2 LYS 44 HG2 LYS 44 -4.309 6.638 -9.490 340 HG3 LYS 44 HG3 LYS 44 -5.732 5.750 -10.058 341 HD2 LYS 44 HD2 LYS 44 -5.615 8.765 -9.964 342 HD3 LYS 44 HD3 LYS 44 -4.929 7.848 -11.317 343 HE2 LYS 44 HE2 LYS 44 -7.113 6.882 -11.837 344 HE3 LYS 44 HE3 LYS 44 -7.838 7.708 -10.451 345 HZ1 LYS 44 HZ1 LYS 44 -7.281 9.833 -11.506 346 HZ2 LYS 44 HZ2 LYS 44 -6.651 9.069 -12.818 347 HZ3 LYS 44 HZ3 LYS 44 -8.258 8.918 -12.457 348 H VAL 45 H VAL 45 -3.971 3.997 -8.066 349 HA VAL 45 HA VAL 45 -1.620 5.457 -6.999 350 HB VAL 45 HB VAL 45 -2.131 3.093 -6.242 351 HG11 VAL 45 HG11 VAL 45 -0.886 2.326 -8.922 352 HG12 VAL 45 HG12 VAL 45 -1.318 1.246 -7.591 353 HG13 VAL 45 HG13 VAL 45 -2.591 2.108 -8.471 354 HG21 VAL 45 HG21 VAL 45 0.052 4.225 -5.874 355 HG22 VAL 45 HG22 VAL 45 0.246 2.489 -6.150 356 HG23 VAL 45 HG23 VAL 45 0.625 3.638 -7.450 357 H VAL 46 H VAL 46 -0.067 6.267 -8.287 358 HA VAL 46 HA VAL 46 -0.432 6.228 -11.166 359 HB VAL 46 HB VAL 46 1.442 7.744 -11.300 360 HG11 VAL 46 HG11 VAL 46 -0.394 8.484 -8.995 361 HG12 VAL 46 HG12 VAL 46 0.527 9.598 -10.025 362 HG13 VAL 46 HG13 VAL 46 -0.779 8.629 -10.721 363 HG21 VAL 46 HG21 VAL 46 2.947 6.824 -9.580 364 HG22 VAL 46 HG22 VAL 46 2.660 8.550 -9.356 365 HG23 VAL 46 HG23 VAL 46 1.841 7.375 -8.310 366 HA PRO 47 HA PRO 47 2.556 3.114 -12.398 367 HB2 PRO 47 HB2 PRO 47 3.649 5.078 -14.388 368 HB3 PRO 47 HB3 PRO 47 3.083 3.414 -14.646 369 HG2 PRO 47 HG2 PRO 47 1.539 5.541 -15.382 370 HG3 PRO 47 HG3 PRO 47 0.786 4.107 -14.609 371 HD2 PRO 47 HD2 PRO 47 1.605 6.724 -13.329 372 HD3 PRO 47 HD3 PRO 47 0.060 5.838 -13.185 373 H GLY 48 H GLY 48 4.679 2.581 -11.709 374 HA2 GLY 48 HA2 GLY 48 6.677 2.851 -10.588 375 HA3 GLY 48 HA3 GLY 48 6.696 4.552 -11.035 376 H GLY 49 H GLY 49 3.750 3.989 -9.456 377 HA2 GLY 49 HA2 GLY 49 4.484 5.576 -7.201 378 HA3 GLY 49 HA3 GLY 49 2.923 4.846 -7.528 379 H LYS 50 H LYS 50 3.358 5.009 -5.065 380 HA LYS 50 HA LYS 50 4.243 2.341 -4.008 381 HB2 LYS 50 HB2 LYS 50 4.726 5.109 -2.831 382 HB3 LYS 50 HB3 LYS 50 5.004 3.592 -1.962 383 HG2 LYS 50 HG2 LYS 50 6.745 2.924 -3.472 384 HG3 LYS 50 HG3 LYS 50 6.423 4.274 -4.572 385 HD2 LYS 50 HD2 LYS 50 7.140 5.902 -2.923 386 HD3 LYS 50 HD3 LYS 50 7.332 4.641 -1.686 387 HE2 LYS 50 HE2 LYS 50 9.114 3.585 -2.929 388 HE3 LYS 50 HE3 LYS 50 8.893 4.671 -4.311 389 HZ1 LYS 50 HZ1 LYS 50 9.775 6.472 -3.045 390 HZ2 LYS 50 HZ2 LYS 50 9.622 5.662 -1.610 391 HZ3 LYS 50 HZ3 LYS 50 10.755 5.221 -2.696 392 H PHE 51 H PHE 51 3.005 1.445 -2.382 393 HA PHE 51 HA PHE 51 0.260 2.446 -2.268 394 HB2 PHE 51 HB2 PHE 51 1.480 -0.097 -1.191 395 HB3 PHE 51 HB3 PHE 51 -0.230 0.305 -1.124 396 HD1 PHE 51 HD2 PHE 51 -1.575 0.544 -3.265 397 HD2 PHE 51 HD1 PHE 51 2.476 -0.904 -3.242 398 HE1 PHE 51 HE2 PHE 51 -1.868 -0.379 -5.558 399 HE2 PHE 51 HE1 PHE 51 2.191 -1.790 -5.526 400 HZ PHE 51 HZ PHE 51 0.010 -1.525 -6.698 401 HA PRO 52 HA PRO 52 0.952 4.298 1.771 402 HB2 PRO 52 HB2 PRO 52 -1.426 5.570 2.129 403 HB3 PRO 52 HB3 PRO 52 -0.254 6.067 0.875 404 HG2 PRO 52 HG2 PRO 52 -2.718 4.335 0.557 405 HG3 PRO 52 HG3 PRO 52 -2.190 5.713 -0.457 406 HD2 PRO 52 HD2 PRO 52 -1.684 3.093 -1.116 407 HD3 PRO 52 HD3 PRO 52 -0.569 4.429 -1.533 408 H VAL 53 H VAL 53 -1.472 1.846 1.353 409 HA VAL 53 HA VAL 53 -1.587 1.094 4.145 410 HB VAL 53 HB VAL 53 -4.040 1.076 4.309 411 HG11 VAL 53 HG11 VAL 53 -2.954 3.902 4.026 412 HG12 VAL 53 HG12 VAL 53 -4.319 3.355 5.017 413 HG13 VAL 53 HG13 VAL 53 -2.672 2.836 5.419 414 HG21 VAL 53 HG21 VAL 53 -5.408 2.514 2.938 415 HG22 VAL 53 HG22 VAL 53 -4.008 3.019 1.971 416 HG23 VAL 53 HG23 VAL 53 -4.590 1.335 1.894 417 H ASP 54 H ASP 54 -3.288 -0.944 4.196 418 HA ASP 54 HA ASP 54 -2.653 -2.560 1.775 419 HB2 ASP 54 HB2 ASP 54 -2.652 -4.496 3.032 420 HB3 ASP 54 HB3 ASP 54 -1.697 -3.329 3.929 421 H GLY 55 H GLY 55 -4.157 -3.758 0.677 422 HA2 GLY 55 HA2 GLY 55 -6.995 -3.752 1.226 423 HA3 GLY 55 HA3 GLY 55 -6.550 -2.386 0.220 424 H ARG 56 H ARG 56 -8.252 -3.875 -0.953 425 HA ARG 56 HA ARG 56 -6.817 -5.690 -2.843 426 HB2 ARG 56 HB2 ARG 56 -8.916 -6.448 -1.570 427 HB3 ARG 56 HB3 ARG 56 -9.827 -5.405 -2.669 428 HG2 ARG 56 HG2 ARG 56 -8.908 -6.695 -4.612 429 HG3 ARG 56 HG3 ARG 56 -7.971 -7.683 -3.480 430 HD2 ARG 56 HD2 ARG 56 -9.855 -8.952 -4.125 431 HD3 ARG 56 HD3 ARG 56 -10.082 -8.485 -2.441 432 HE ARG 56 HE ARG 56 -11.585 -6.613 -3.361 433 HH11 ARG 56 HH11 ARG 56 -11.478 -9.750 -5.037 434 HH12 ARG 56 HH12 ARG 56 -13.039 -9.437 -5.751 435 HH21 ARG 56 HH21 ARG 56 -13.458 -6.410 -4.163 436 HH22 ARG 56 HH22 ARG 56 -14.174 -7.580 -5.261 437 H VAL 57 H VAL 57 -6.779 -5.426 -4.998 438 HA VAL 57 HA VAL 57 -7.191 -2.738 -6.175 439 HB VAL 57 HB VAL 57 -5.935 -5.302 -7.270 440 HG11 VAL 57 HG11 VAL 57 -6.083 -2.489 -8.429 441 HG12 VAL 57 HG12 VAL 57 -5.045 -3.791 -9.061 442 HG13 VAL 57 HG13 VAL 57 -6.786 -3.970 -9.118 443 HG21 VAL 57 HG21 VAL 57 -4.544 -4.319 -5.473 444 HG22 VAL 57 HG22 VAL 57 -3.777 -4.183 -7.057 445 HG23 VAL 57 HG23 VAL 57 -4.548 -2.762 -6.330 446 H ILE 58 H ILE 58 -8.966 -2.361 -7.440 447 HA ILE 58 HA ILE 58 -10.317 -4.636 -8.819 448 HB ILE 58 HB ILE 58 -12.563 -3.618 -8.130 449 HG12 ILE 58 HG12 ILE 58 -10.953 -2.530 -5.785 450 HG13 ILE 58 HG13 ILE 58 -11.424 -1.510 -7.159 451 HG21 ILE 58 HG21 ILE 58 -10.997 -4.941 -5.886 452 HG22 ILE 58 HG22 ILE 58 -12.746 -4.981 -6.179 453 HG23 ILE 58 HG23 ILE 58 -11.655 -5.795 -7.298 454 HD11 ILE 58 HD11 ILE 58 -13.809 -2.010 -6.730 455 HD12 ILE 58 HD12 ILE 58 -13.343 -2.947 -5.284 456 HD13 ILE 58 HD13 ILE 58 -13.014 -1.207 -5.363 457 H GLU 59 H GLU 59 -8.556 -2.520 -9.672 458 HA GLU 59 HA GLU 59 -9.830 -2.111 -12.194 459 HB2 GLU 59 HB2 GLU 59 -10.584 -0.057 -10.705 460 HB3 GLU 59 HB3 GLU 59 -8.890 0.410 -10.795 461 HG2 GLU 59 HG2 GLU 59 -10.035 1.619 -12.469 462 HG3 GLU 59 HG3 GLU 59 -9.058 0.413 -13.303 463 H GLY 60 H GLY 60 -8.135 -2.500 -13.594 464 HA2 GLY 60 HA2 GLY 60 -6.088 -2.022 -14.625 465 HA3 GLY 60 HA3 GLY 60 -5.503 -1.241 -13.171 466 H HIS 61 H HIS 61 -3.778 -2.629 -14.290 467 HA HIS 61 HA HIS 61 -3.225 -4.974 -12.594 468 HB2 HIS 61 HB2 HIS 61 -2.790 -6.487 -14.507 469 HB3 HIS 61 HB3 HIS 61 -4.478 -6.067 -14.283 470 HD1 HIS 61 HD1 HIS 61 -5.674 -4.709 -16.317 471 HD2 HIS 61 HD2 HIS 61 -1.577 -5.620 -16.732 472 HE1 HIS 61 HE1 HIS 61 -5.129 -4.427 -18.776 473 H SER 62 H SER 62 -1.232 -4.926 -11.940 474 HA SER 62 HA SER 62 0.989 -3.848 -13.584 475 HB2 SER 62 HB2 SER 62 -0.079 -2.038 -12.023 476 HB3 SER 62 HB3 SER 62 0.725 -2.917 -10.721 477 HG SER 62 HG SER 62 1.951 -1.193 -11.721 478 H MET 63 H MET 63 3.139 -4.359 -12.667 479 HA MET 63 HA MET 63 3.124 -6.818 -10.993 480 HB2 MET 63 HB2 MET 63 4.334 -6.942 -13.083 481 HB3 MET 63 HB3 MET 63 5.337 -5.550 -12.641 482 HG2 MET 63 HG2 MET 63 6.404 -6.735 -10.892 483 HG3 MET 63 HG3 MET 63 5.182 -8.007 -10.865 484 HE1 MET 63 HE1 MET 63 6.065 -10.421 -13.623 485 HE2 MET 63 HE2 MET 63 5.268 -10.156 -12.056 486 HE3 MET 63 HE3 MET 63 4.720 -9.268 -13.501 487 H VAL 64 H VAL 64 3.682 -6.775 -8.922 488 HA VAL 64 HA VAL 64 4.597 -4.189 -7.757 489 HB VAL 64 HB VAL 64 2.729 -6.298 -6.658 490 HG11 VAL 64 HG11 VAL 64 4.068 -5.509 -4.754 491 HG12 VAL 64 HG12 VAL 64 3.789 -3.817 -5.232 492 HG13 VAL 64 HG13 VAL 64 2.445 -4.829 -4.676 493 HG21 VAL 64 HG21 VAL 64 1.708 -4.708 -8.244 494 HG22 VAL 64 HG22 VAL 64 1.159 -4.342 -6.600 495 HG23 VAL 64 HG23 VAL 64 2.409 -3.342 -7.361 496 H ASP 65 H ASP 65 6.166 -4.036 -6.310 497 HA ASP 65 HA ASP 65 7.843 -6.443 -5.800 498 HB2 ASP 65 HB2 ASP 65 8.912 -4.718 -7.149 499 HB3 ASP 65 HB3 ASP 65 8.578 -3.501 -5.909 500 H GLU 66 H GLU 66 7.124 -7.271 -3.958 501 HA GLU 66 HA GLU 66 7.034 -5.597 -1.501 502 HB2 GLU 66 HB2 GLU 66 5.587 -7.509 -0.630 503 HB3 GLU 66 HB3 GLU 66 4.920 -6.335 -1.745 504 HG2 GLU 66 HG2 GLU 66 4.139 -8.640 -2.161 505 HG3 GLU 66 HG3 GLU 66 4.866 -7.865 -3.562 506 H SER 67 H SER 67 9.420 -6.878 -2.827 507 HA SER 67 HA SER 67 10.273 -9.220 -1.571 508 HB2 SER 67 HB2 SER 67 12.556 -8.572 -2.165 509 HB3 SER 67 HB3 SER 67 11.453 -8.213 -3.494 510 HG SER 67 HG SER 67 13.128 -6.565 -2.470 511 H LEU 68 H LEU 68 10.434 -5.966 -0.129 512 HA LEU 68 HA LEU 68 12.116 -6.947 2.084 513 HB2 LEU 68 HB2 LEU 68 12.273 -4.661 1.095 514 HB3 LEU 68 HB3 LEU 68 10.623 -4.320 1.559 515 HG LEU 68 HG LEU 68 12.352 -3.181 2.875 516 HD11 LEU 68 HD11 LEU 68 11.343 -3.250 4.961 517 HD12 LEU 68 HD12 LEU 68 10.049 -3.734 3.852 518 HD13 LEU 68 HD13 LEU 68 10.891 -4.942 4.837 519 HD21 LEU 68 HD21 LEU 68 14.059 -4.944 2.971 520 HD22 LEU 68 HD22 LEU 68 13.655 -4.328 4.587 521 HD23 LEU 68 HD23 LEU 68 13.026 -5.897 4.058 522 H ILE 69 H ILE 69 8.713 -6.566 1.431 523 HA ILE 69 HA ILE 69 7.783 -6.599 4.178 524 HB ILE 69 HB ILE 69 6.174 -7.330 1.709 525 HG12 ILE 69 HG12 ILE 69 7.362 -5.221 1.129 526 HG13 ILE 69 HG13 ILE 69 5.631 -5.115 1.166 527 HG21 ILE 69 HG21 ILE 69 5.448 -6.060 4.375 528 HG22 ILE 69 HG22 ILE 69 4.332 -6.258 3.013 529 HG23 ILE 69 HG23 ILE 69 5.022 -7.684 3.800 530 HD11 ILE 69 HD11 ILE 69 7.381 -4.155 3.461 531 HD12 ILE 69 HD12 ILE 69 6.773 -3.132 2.137 532 HD13 ILE 69 HD13 ILE 69 5.624 -3.908 3.232 533 H THR 70 H THR 70 7.643 -8.943 1.499 534 HA THR 70 HA THR 70 6.951 -11.193 3.274 535 HB THR 70 HB THR 70 6.469 -12.313 1.120 536 HG1 THR 70 HG1 THR 70 6.683 -10.762 -0.757 537 HG21 THR 70 HG21 THR 70 5.333 -9.487 1.021 538 HG22 THR 70 HG22 THR 70 4.630 -10.970 0.355 539 HG23 THR 70 HG23 THR 70 4.738 -10.763 2.111 540 H GLY 71 H GLY 71 9.780 -10.082 1.548 541 HA2 GLY 71 HA2 GLY 71 11.896 -10.976 1.461 542 HA3 GLY 71 HA3 GLY 71 11.318 -12.517 2.118 543 H GLU 72 H GLU 72 9.177 -11.830 -0.378 544 HA GLU 72 HA GLU 72 10.223 -13.884 -2.110 545 HB2 GLU 72 HB2 GLU 72 8.164 -11.748 -2.741 546 HB3 GLU 72 HB3 GLU 72 8.506 -13.169 -3.713 547 HG2 GLU 72 HG2 GLU 72 7.244 -13.151 -0.949 548 HG3 GLU 72 HG3 GLU 72 6.437 -13.395 -2.462 549 H ALA 73 H ALA 73 12.124 -13.631 -3.261 550 HA ALA 73 HA ALA 73 12.970 -10.968 -4.149 551 HB1 ALA 73 HB1 ALA 73 14.480 -12.597 -3.035 552 HB2 ALA 73 HB2 ALA 73 14.366 -13.647 -4.466 553 HB3 ALA 73 HB3 ALA 73 15.072 -12.012 -4.585 554 H MET 74 H MET 74 10.980 -13.234 -5.384 555 HA MET 74 HA MET 74 11.281 -12.536 -8.255 556 HB2 MET 74 HB2 MET 74 9.730 -14.558 -6.613 557 HB3 MET 74 HB3 MET 74 9.184 -14.140 -8.215 558 HG2 MET 74 HG2 MET 74 11.965 -15.197 -7.602 559 HG3 MET 74 HG3 MET 74 10.596 -16.183 -8.120 560 HE1 MET 74 HE1 MET 74 13.053 -16.647 -9.712 561 HE2 MET 74 HE2 MET 74 11.474 -17.253 -10.260 562 HE3 MET 74 HE3 MET 74 12.544 -16.413 -11.402 563 HA PRO 75 HA PRO 75 8.032 -9.492 -7.373 564 HB2 PRO 75 HB2 PRO 75 7.564 -8.460 -9.791 565 HB3 PRO 75 HB3 PRO 75 9.151 -8.261 -8.992 566 HG2 PRO 75 HG2 PRO 75 8.375 -10.355 -11.058 567 HG3 PRO 75 HG3 PRO 75 9.782 -9.250 -11.089 568 HD2 PRO 75 HD2 PRO 75 9.934 -11.825 -10.135 569 HD3 PRO 75 HD3 PRO 75 10.903 -10.496 -9.426 570 H VAL 76 H VAL 76 5.770 -9.035 -7.805 571 HA VAL 76 HA VAL 76 4.303 -11.545 -8.543 572 HB VAL 76 HB VAL 76 3.566 -9.661 -6.277 573 HG11 VAL 76 HG11 VAL 76 2.799 -12.546 -6.918 574 HG12 VAL 76 HG12 VAL 76 2.292 -11.640 -5.486 575 HG13 VAL 76 HG13 VAL 76 1.737 -11.126 -7.092 576 HG21 VAL 76 HG21 VAL 76 5.750 -10.603 -5.680 577 HG22 VAL 76 HG22 VAL 76 4.492 -11.382 -4.740 578 HG23 VAL 76 HG23 VAL 76 5.203 -12.235 -6.130 579 H ALA 77 H ALA 77 2.870 -11.374 -10.068 580 HA ALA 77 HA ALA 77 2.131 -8.755 -11.161 581 HB1 ALA 77 HB1 ALA 77 1.477 -11.601 -12.008 582 HB2 ALA 77 HB2 ALA 77 1.079 -10.135 -12.924 583 HB3 ALA 77 HB3 ALA 77 2.775 -10.572 -12.648 584 H LYS 78 H LYS 78 0.246 -7.668 -10.942 585 HA LYS 78 HA LYS 78 -1.949 -8.870 -9.307 586 HB2 LYS 78 HB2 LYS 78 -1.255 -5.928 -9.686 587 HB3 LYS 78 HB3 LYS 78 -2.468 -6.579 -8.605 588 HG2 LYS 78 HG2 LYS 78 0.544 -6.970 -8.363 589 HG3 LYS 78 HG3 LYS 78 -0.453 -5.876 -7.405 590 HD2 LYS 78 HD2 LYS 78 -1.629 -7.681 -6.347 591 HD3 LYS 78 HD3 LYS 78 -0.861 -8.891 -7.393 592 HE2 LYS 78 HE2 LYS 78 1.309 -8.478 -6.423 593 HE3 LYS 78 HE3 LYS 78 0.677 -7.134 -5.447 594 HZ1 LYS 78 HZ1 LYS 78 -0.407 -9.882 -5.221 595 HZ2 LYS 78 HZ2 LYS 78 0.816 -9.349 -4.250 596 HZ3 LYS 78 HZ3 LYS 78 -0.657 -8.627 -4.212 597 H LYS 79 H LYS 79 -4.047 -8.178 -9.714 598 HA LYS 79 HA LYS 79 -4.864 -7.396 -12.462 599 HB2 LYS 79 HB2 LYS 79 -6.260 -9.463 -12.611 600 HB3 LYS 79 HB3 LYS 79 -4.539 -9.826 -12.580 601 HG2 LYS 79 HG2 LYS 79 -4.675 -10.642 -10.310 602 HG3 LYS 79 HG3 LYS 79 -6.274 -9.925 -10.089 603 HD2 LYS 79 HD2 LYS 79 -6.513 -12.292 -10.305 604 HD3 LYS 79 HD3 LYS 79 -7.310 -11.432 -11.615 605 HE2 LYS 79 HE2 LYS 79 -6.281 -13.325 -12.574 606 HE3 LYS 79 HE3 LYS 79 -5.365 -11.900 -13.088 607 HZ1 LYS 79 HZ1 LYS 79 -3.635 -12.459 -11.567 608 HZ2 LYS 79 HZ2 LYS 79 -4.528 -13.606 -10.800 609 HZ3 LYS 79 HZ3 LYS 79 -3.999 -13.837 -12.355 610 HA PRO 80 HA PRO 80 -8.537 -5.869 -10.250 611 HB2 PRO 80 HB2 PRO 80 -10.656 -6.783 -11.795 612 HB3 PRO 80 HB3 PRO 80 -9.674 -5.336 -12.169 613 HG2 PRO 80 HG2 PRO 80 -9.362 -8.151 -13.260 614 HG3 PRO 80 HG3 PRO 80 -9.371 -6.602 -14.167 615 HD2 PRO 80 HD2 PRO 80 -7.046 -7.774 -13.545 616 HD3 PRO 80 HD3 PRO 80 -7.223 -6.015 -13.362 617 H GLY 81 H GLY 81 -9.270 -6.751 -8.402 618 HA2 GLY 81 HA2 GLY 81 -9.940 -8.313 -6.823 619 HA3 GLY 81 HA3 GLY 81 -10.099 -9.553 -8.065 620 H SER 82 H SER 82 -7.428 -7.517 -6.834 621 HA SER 82 HA SER 82 -5.843 -9.928 -5.986 622 HB2 SER 82 HB2 SER 82 -5.256 -9.052 -8.290 623 HB3 SER 82 HB3 SER 82 -4.714 -7.558 -7.511 624 HG SER 82 HG SER 82 -3.741 -10.213 -7.100 625 H THR 83 H THR 83 -4.193 -9.485 -4.231 626 HA THR 83 HA THR 83 -5.032 -7.115 -2.634 627 HB THR 83 HB THR 83 -4.173 -8.243 -0.689 628 HG1 THR 83 HG1 THR 83 -3.541 -10.380 -0.821 629 HG21 THR 83 HG21 THR 83 -6.008 -10.056 -2.303 630 HG22 THR 83 HG22 THR 83 -5.780 -10.085 -0.546 631 HG23 THR 83 HG23 THR 83 -6.511 -8.664 -1.317 632 H VAL 84 H VAL 84 -3.618 -5.789 -1.563 633 HA VAL 84 HA VAL 84 -0.702 -6.047 -2.080 634 HB VAL 84 HB VAL 84 -0.532 -3.598 -2.452 635 HG11 VAL 84 HG11 VAL 84 -2.198 -5.016 -4.563 636 HG12 VAL 84 HG12 VAL 84 -1.122 -3.624 -4.799 637 HG13 VAL 84 HG13 VAL 84 -0.445 -5.191 -4.332 638 HG21 VAL 84 HG21 VAL 84 -2.733 -2.882 -1.531 639 HG22 VAL 84 HG22 VAL 84 -2.452 -2.293 -3.176 640 HG23 VAL 84 HG23 VAL 84 -3.547 -3.661 -2.907 641 H ILE 85 H ILE 85 0.592 -4.680 -0.699 642 HA ILE 85 HA ILE 85 -0.586 -3.985 1.926 643 HB ILE 85 HB ILE 85 1.933 -4.726 2.696 644 HG12 ILE 85 HG12 ILE 85 2.349 -7.029 1.991 645 HG13 ILE 85 HG13 ILE 85 1.066 -6.952 0.792 646 HG21 ILE 85 HG21 ILE 85 -0.546 -6.470 2.735 647 HG22 ILE 85 HG22 ILE 85 0.873 -6.622 3.793 648 HG23 ILE 85 HG23 ILE 85 -0.137 -5.181 3.893 649 HD11 ILE 85 HD11 ILE 85 2.325 -5.383 -0.558 650 HD12 ILE 85 HD12 ILE 85 3.457 -5.066 0.771 651 HD13 ILE 85 HD13 ILE 85 3.441 -6.651 -0.040 652 H ALA 86 H ALA 86 0.421 -2.390 3.098 653 HA ALA 86 HA ALA 86 1.146 -0.145 1.594 654 HB1 ALA 86 HB1 ALA 86 0.101 -0.191 3.872 655 HB2 ALA 86 HB2 ALA 86 1.655 -0.663 4.556 656 HB3 ALA 86 HB3 ALA 86 1.480 0.922 3.760 657 H GLY 87 H GLY 87 3.001 0.916 1.142 658 HA2 GLY 87 HA2 GLY 87 5.210 1.486 1.093 659 HA3 GLY 87 HA3 GLY 87 5.598 0.185 2.233 660 H SER 88 H SER 88 3.974 -1.329 -0.236 661 HA SER 88 HA SER 88 6.426 -2.223 -1.598 662 HB2 SER 88 HB2 SER 88 4.928 -3.712 -2.845 663 HB3 SER 88 HB3 SER 88 4.779 -3.908 -1.096 664 HG SER 88 HG SER 88 2.800 -2.889 -1.142 665 H ILE 89 H ILE 89 6.522 -2.223 -3.990 666 HA ILE 89 HA ILE 89 5.767 0.483 -5.000 667 HB ILE 89 HB ILE 89 7.958 -1.069 -6.302 668 HG12 ILE 89 HG12 ILE 89 8.626 -1.404 -3.982 669 HG13 ILE 89 HG13 ILE 89 9.709 -0.347 -4.854 670 HG21 ILE 89 HG21 ILE 89 8.898 1.240 -6.530 671 HG22 ILE 89 HG22 ILE 89 7.290 1.072 -7.237 672 HG23 ILE 89 HG23 ILE 89 7.476 1.879 -5.670 673 HD11 ILE 89 HD11 ILE 89 8.848 1.624 -3.727 674 HD12 ILE 89 HD12 ILE 89 7.604 0.658 -2.899 675 HD13 ILE 89 HD13 ILE 89 9.322 0.399 -2.540 676 H ASN 90 H ASN 90 4.949 0.793 -7.054 677 HA ASN 90 HA ASN 90 3.778 -1.576 -8.428 678 HB2 ASN 90 HB2 ASN 90 2.338 0.264 -7.429 679 HB3 ASN 90 HB3 ASN 90 3.079 1.399 -8.545 680 HD21 ASN 90 HD22 ASN 90 2.579 1.036 -10.899 681 HD22 ASN 90 HD21 ASN 90 0.931 0.469 -11.097 682 H GLN 91 H GLN 91 4.135 -1.982 -10.638 683 HA GLN 91 HA GLN 91 6.168 -0.391 -12.039 684 HB2 GLN 91 HB2 GLN 91 6.189 -2.893 -11.945 685 HB3 GLN 91 HB3 GLN 91 4.761 -2.902 -12.958 686 HG2 GLN 91 HG2 GLN 91 6.600 -3.323 -14.386 687 HG3 GLN 91 HG3 GLN 91 6.199 -1.650 -14.729 688 HE21 GLN 91 HE22 GLN 91 7.697 0.064 -13.875 689 HE22 GLN 91 HE21 GLN 91 9.299 -0.423 -13.314 690 H ASN 92 H ASN 92 4.075 -1.559 -14.447 691 HA ASN 92 HA ASN 92 3.848 1.185 -15.353 692 HB2 ASN 92 HB2 ASN 92 4.665 -0.581 -16.806 693 HB3 ASN 92 HB3 ASN 92 3.203 -1.528 -16.571 694 HD21 ASN 92 HD22 ASN 92 1.323 -1.051 -17.733 695 HD22 ASN 92 HD21 ASN 92 1.359 0.097 -19.069 696 H GLY 93 H GLY 93 1.398 -1.292 -14.421 697 HA2 GLY 93 HA2 GLY 93 -0.794 0.159 -15.513 698 HA3 GLY 93 HA3 GLY 93 -0.903 -1.119 -14.306 699 H SER 94 H SER 94 -1.964 1.853 -14.783 700 HA SER 94 HA SER 94 -1.595 2.854 -12.003 701 HB2 SER 94 HB2 SER 94 -1.642 4.533 -13.793 702 HB3 SER 94 HB3 SER 94 -3.245 3.977 -14.298 703 HG SER 94 HG SER 94 -2.725 4.793 -11.612 704 H LEU 95 H LEU 95 -2.926 2.214 -10.447 705 HA LEU 95 HA LEU 95 -5.290 0.522 -11.172 706 HB2 LEU 95 HB2 LEU 95 -3.694 0.117 -8.669 707 HB3 LEU 95 HB3 LEU 95 -4.731 -1.003 -9.489 708 HG LEU 95 HG LEU 95 -1.935 -0.148 -10.367 709 HD11 LEU 95 HD11 LEU 95 -2.958 -2.713 -9.067 710 HD12 LEU 95 HD12 LEU 95 -1.306 -2.421 -9.648 711 HD13 LEU 95 HD13 LEU 95 -1.933 -1.479 -8.298 712 HD21 LEU 95 HD21 LEU 95 -2.169 -2.051 -11.929 713 HD22 LEU 95 HD22 LEU 95 -3.816 -2.319 -11.322 714 HD23 LEU 95 HD23 LEU 95 -3.415 -0.848 -12.247 715 H LEU 96 H LEU 96 -6.996 0.388 -9.578 716 HA LEU 96 HA LEU 96 -6.999 2.606 -7.569 717 HB2 LEU 96 HB2 LEU 96 -9.396 1.732 -9.198 718 HB3 LEU 96 HB3 LEU 96 -9.466 2.635 -7.715 719 HG LEU 96 HG LEU 96 -8.161 4.488 -8.707 720 HD11 LEU 96 HD11 LEU 96 -8.146 4.649 -11.247 721 HD12 LEU 96 HD12 LEU 96 -6.940 3.575 -10.576 722 HD13 LEU 96 HD13 LEU 96 -8.418 2.899 -11.294 723 HD21 LEU 96 HD21 LEU 96 -10.641 4.480 -8.677 724 HD22 LEU 96 HD22 LEU 96 -9.985 5.363 -10.065 725 HD23 LEU 96 HD23 LEU 96 -10.647 3.727 -10.286 726 H ILE 97 H ILE 97 -7.053 2.007 -5.613 727 HA ILE 97 HA ILE 97 -7.634 -0.841 -4.911 728 HB ILE 97 HB ILE 97 -5.709 1.072 -3.537 729 HG12 ILE 97 HG12 ILE 97 -4.036 -0.705 -4.728 730 HG13 ILE 97 HG13 ILE 97 -5.299 -0.676 -5.951 731 HG21 ILE 97 HG21 ILE 97 -6.469 -0.853 -2.153 732 HG22 ILE 97 HG22 ILE 97 -5.917 -1.966 -3.428 733 HG23 ILE 97 HG23 ILE 97 -4.759 -0.954 -2.551 734 HD11 ILE 97 HD11 ILE 97 -5.003 1.806 -6.158 735 HD12 ILE 97 HD12 ILE 97 -3.773 1.743 -4.877 736 HD13 ILE 97 HD13 ILE 97 -3.503 0.931 -6.430 737 H CYS 98 H CYS 98 -8.910 -1.332 -3.160 738 HA CYS 98 HA CYS 98 -10.393 0.870 -1.883 739 HB2 CYS 98 HB2 CYS 98 -11.690 -0.887 -0.787 740 HB3 CYS 98 HB3 CYS 98 -11.678 -1.058 -2.542 741 HG CYS 98 HG CYS 98 -9.879 -2.939 -2.658 742 H ALA 99 H ALA 99 -9.248 2.078 -0.486 743 HA ALA 99 HA ALA 99 -7.480 0.927 1.499 744 HB1 ALA 99 HB1 ALA 99 -8.687 3.690 1.081 745 HB2 ALA 99 HB2 ALA 99 -7.497 3.286 2.331 746 HB3 ALA 99 HB3 ALA 99 -7.057 3.125 0.617 747 H THR 100 H THR 100 -8.768 -0.645 2.394 748 HA THR 100 HA THR 100 -11.182 0.113 3.968 749 HB THR 100 HB THR 100 -11.424 -1.544 2.160 750 HG1 THR 100 HG1 THR 100 -12.875 -1.907 3.616 751 HG21 THR 100 HG21 THR 100 -9.143 -2.627 2.350 752 HG22 THR 100 HG22 THR 100 -9.747 -3.432 3.820 753 HG23 THR 100 HG23 THR 100 -10.508 -3.740 2.249 754 H HIS 101 H HIS 101 -8.044 0.140 4.578 755 HA HIS 101 HA HIS 101 -8.421 -0.474 7.440 756 HB2 HIS 101 HB2 HIS 101 -5.983 -1.374 5.856 757 HB3 HIS 101 HB3 HIS 101 -6.300 -1.654 7.562 758 HD1 HIS 101 HD1 HIS 101 -6.673 -3.253 4.265 759 HD2 HIS 101 HD2 HIS 101 -8.437 -3.451 8.081 760 HE1 HIS 101 HE1 HIS 101 -7.928 -5.485 4.365 761 H VAL 102 H VAL 102 -7.049 0.756 8.798 762 HA VAL 102 HA VAL 102 -5.347 2.884 7.535 763 HB VAL 102 HB VAL 102 -5.484 4.045 9.719 764 HG11 VAL 102 HG11 VAL 102 -8.181 3.569 8.410 765 HG12 VAL 102 HG12 VAL 102 -7.693 4.974 9.384 766 HG13 VAL 102 HG13 VAL 102 -6.919 4.670 7.818 767 HG21 VAL 102 HG21 VAL 102 -6.133 2.001 11.094 768 HG22 VAL 102 HG22 VAL 102 -7.074 3.458 11.397 769 HG23 VAL 102 HG23 VAL 102 -7.767 2.158 10.416 770 H GLY 103 H GLY 103 -3.368 3.519 8.997 771 HA2 GLY 103 HA2 GLY 103 -1.560 1.429 9.044 772 HA3 GLY 103 HA3 GLY 103 -1.400 2.958 9.905 773 H ALA 104 H ALA 104 -3.749 2.291 11.757 774 HA ALA 104 HA ALA 104 -2.350 0.828 13.781 775 HB1 ALA 104 HB1 ALA 104 -4.520 0.850 14.947 776 HB2 ALA 104 HB2 ALA 104 -4.139 2.439 14.265 777 HB3 ALA 104 HB3 ALA 104 -5.331 1.391 13.464 778 H ASP 105 H ASP 105 -4.769 -0.270 11.354 779 HA ASP 105 HA ASP 105 -4.990 -2.964 12.429 780 HB2 ASP 105 HB2 ASP 105 -6.855 -1.930 11.313 781 HB3 ASP 105 HB3 ASP 105 -5.904 -1.667 9.844 782 H THR 106 H THR 106 -2.624 -1.510 10.303 783 HA THR 106 HA THR 106 -2.538 -3.763 8.517 784 HB THR 106 HB THR 106 -2.054 -1.417 7.851 785 HG1 THR 106 HG1 THR 106 -1.683 -3.048 6.504 786 HG21 THR 106 HG21 THR 106 -0.321 -0.881 9.593 787 HG22 THR 106 HG22 THR 106 0.758 -2.015 8.778 788 HG23 THR 106 HG23 THR 106 0.190 -0.569 7.924 789 H THR 107 H THR 107 -1.140 -5.457 8.259 790 HA THR 107 HA THR 107 0.320 -6.442 10.471 791 HB THR 107 HB THR 107 0.867 -7.129 7.560 792 HG1 THR 107 HG1 THR 107 -1.108 -7.935 9.402 793 HG21 THR 107 HG21 THR 107 1.274 -9.406 8.528 794 HG22 THR 107 HG22 THR 107 2.453 -8.215 9.084 795 HG23 THR 107 HG23 THR 107 1.129 -8.719 10.158 796 H LEU 108 H LEU 108 1.370 -4.158 7.999 797 HA LEU 108 HA LEU 108 4.177 -4.366 8.363 798 HB2 LEU 108 HB2 LEU 108 2.637 -2.966 6.681 799 HB3 LEU 108 HB3 LEU 108 2.797 -1.717 7.909 800 HG LEU 108 HG LEU 108 5.372 -2.129 7.710 801 HD11 LEU 108 HD11 LEU 108 5.242 -4.207 6.324 802 HD12 LEU 108 HD12 LEU 108 4.376 -3.295 5.063 803 HD13 LEU 108 HD13 LEU 108 6.060 -2.886 5.462 804 HD21 LEU 108 HD21 LEU 108 4.258 -0.121 6.963 805 HD22 LEU 108 HD22 LEU 108 5.454 -0.609 5.749 806 HD23 LEU 108 HD23 LEU 108 3.737 -0.917 5.450 807 H SER 109 H SER 109 1.817 -2.283 10.146 808 HA SER 109 HA SER 109 3.764 -1.386 12.060 809 HB2 SER 109 HB2 SER 109 1.992 -0.311 13.191 810 HB3 SER 109 HB3 SER 109 1.783 -0.084 11.449 811 HG SER 109 HG SER 109 -0.171 -0.666 11.974 812 H GLN 110 H GLN 110 1.684 -4.237 11.883 813 HA GLN 110 HA GLN 110 1.932 -4.959 14.669 814 HB2 GLN 110 HB2 GLN 110 0.260 -5.874 12.927 815 HB3 GLN 110 HB3 GLN 110 1.564 -6.900 12.363 816 HG2 GLN 110 HG2 GLN 110 0.377 -8.231 13.866 817 HG3 GLN 110 HG3 GLN 110 1.809 -7.755 14.776 818 HE21 GLN 110 HE22 GLN 110 -1.648 -6.983 14.242 819 HE22 GLN 110 HE21 GLN 110 -1.790 -6.015 15.694 820 H ILE 111 H ILE 111 3.881 -5.768 11.788 821 HA ILE 111 HA ILE 111 5.769 -7.514 12.940 822 HB ILE 111 HB ILE 111 6.070 -5.435 10.744 823 HG12 ILE 111 HG12 ILE 111 6.042 -8.472 10.556 824 HG13 ILE 111 HG13 ILE 111 4.563 -7.539 10.505 825 HG21 ILE 111 HG21 ILE 111 8.108 -7.552 11.586 826 HG22 ILE 111 HG22 ILE 111 8.188 -6.603 10.090 827 HG23 ILE 111 HG23 ILE 111 8.339 -5.789 11.634 828 HD11 ILE 111 HD11 ILE 111 5.200 -8.032 8.248 829 HD12 ILE 111 HD12 ILE 111 5.441 -6.294 8.505 830 HD13 ILE 111 HD13 ILE 111 6.835 -7.402 8.487 831 H VAL 112 H VAL 112 6.110 -3.925 12.720 832 HA VAL 112 HA VAL 112 8.385 -3.873 14.408 833 HB VAL 112 HB VAL 112 8.188 -1.479 14.532 834 HG11 VAL 112 HG11 VAL 112 7.440 -2.439 11.742 835 HG12 VAL 112 HG12 VAL 112 8.344 -0.976 12.179 836 HG13 VAL 112 HG13 VAL 112 9.064 -2.566 12.456 837 HG21 VAL 112 HG21 VAL 112 5.726 -1.231 14.800 838 HG22 VAL 112 HG22 VAL 112 6.391 -0.225 13.510 839 HG23 VAL 112 HG23 VAL 112 5.538 -1.726 13.102 840 H LYS 113 H LYS 113 5.001 -3.933 15.368 841 HA LYS 113 HA LYS 113 5.494 -3.189 18.151 842 HB2 LYS 113 HB2 LYS 113 3.239 -4.676 16.743 843 HB3 LYS 113 HB3 LYS 113 3.287 -4.459 18.495 844 HG2 LYS 113 HG2 LYS 113 3.180 -2.068 18.319 845 HG3 LYS 113 HG3 LYS 113 3.454 -2.111 16.584 846 HD2 LYS 113 HD2 LYS 113 1.127 -1.637 17.059 847 HD3 LYS 113 HD3 LYS 113 1.294 -3.168 16.177 848 HE2 LYS 113 HE2 LYS 113 1.096 -4.427 18.264 849 HE3 LYS 113 HE3 LYS 113 1.073 -2.917 19.191 850 HZ1 LYS 113 HZ1 LYS 113 -0.998 -2.337 18.018 851 HZ2 LYS 113 HZ2 LYS 113 -1.035 -3.770 17.252 852 HZ3 LYS 113 HZ3 LYS 113 -1.211 -3.707 18.880 853 H LEU 114 H LEU 114 5.235 -6.369 16.473 854 HA LEU 114 HA LEU 114 5.771 -7.807 18.919 855 HB2 LEU 114 HB2 LEU 114 5.047 -8.434 16.152 856 HB3 LEU 114 HB3 LEU 114 6.267 -9.560 16.753 857 HG LEU 114 HG LEU 114 3.642 -8.900 18.107 858 HD11 LEU 114 HD11 LEU 114 2.916 -11.136 17.340 859 HD12 LEU 114 HD12 LEU 114 3.300 -10.072 15.975 860 HD13 LEU 114 HD13 LEU 114 4.452 -11.333 16.467 861 HD21 LEU 114 HD21 LEU 114 5.697 -11.106 18.659 862 HD22 LEU 114 HD22 LEU 114 5.333 -9.746 19.737 863 HD23 LEU 114 HD23 LEU 114 4.108 -10.981 19.440 864 H VAL 115 H VAL 115 7.921 -6.823 16.214 865 HA VAL 115 HA VAL 115 10.152 -8.340 17.241 866 HB VAL 115 HB VAL 115 9.755 -7.444 14.863 867 HG11 VAL 115 HG11 VAL 115 10.602 -5.342 14.249 868 HG12 VAL 115 HG12 VAL 115 9.615 -5.024 15.688 869 HG13 VAL 115 HG13 VAL 115 11.377 -5.095 15.840 870 HG21 VAL 115 HG21 VAL 115 11.763 -8.695 15.559 871 HG22 VAL 115 HG22 VAL 115 12.123 -7.463 14.343 872 HG23 VAL 115 HG23 VAL 115 12.547 -7.184 16.048 873 H GLU 116 H GLU 116 8.775 -5.413 18.323 874 HA GLU 116 HA GLU 116 11.128 -4.412 19.780 875 HB2 GLU 116 HB2 GLU 116 9.338 -2.918 19.006 876 HB3 GLU 116 HB3 GLU 116 8.155 -3.775 19.977 877 HG2 GLU 116 HG2 GLU 116 10.585 -2.383 21.162 878 HG3 GLU 116 HG3 GLU 116 9.053 -1.561 20.869 879 H GLU 117 H GLU 117 8.447 -6.730 20.332 880 HA GLU 117 HA GLU 117 8.901 -6.926 23.226 881 HB2 GLU 117 HB2 GLU 117 7.258 -8.558 21.258 882 HB3 GLU 117 HB3 GLU 117 7.280 -8.822 22.988 883 HG2 GLU 117 HG2 GLU 117 6.556 -6.060 21.961 884 HG3 GLU 117 HG3 GLU 117 5.424 -7.382 21.792 885 H ALA 118 H ALA 118 10.508 -8.087 20.456 886 HA ALA 118 HA ALA 118 11.409 -10.636 21.613 887 HB1 ALA 118 HB1 ALA 118 11.195 -10.323 19.170 888 HB2 ALA 118 HB2 ALA 118 12.459 -9.080 19.219 889 HB3 ALA 118 HB3 ALA 118 12.834 -10.760 19.665 890 H GLN 119 H GLN 119 13.255 -7.631 20.797 891 HA GLN 119 HA GLN 119 15.273 -7.844 22.548 892 HB2 GLN 119 HB2 GLN 119 13.807 -5.397 21.532 893 HB3 GLN 119 HB3 GLN 119 15.183 -5.237 22.585 894 HG2 GLN 119 HG2 GLN 119 16.481 -5.268 20.780 895 HG3 GLN 119 HG3 GLN 119 16.191 -7.016 20.719 896 HE21 GLN 119 HE22 GLN 119 14.584 -7.838 19.305 897 HE22 GLN 119 HE21 GLN 119 13.550 -6.720 18.436 Start of MODEL 6 1 H SER 1 H SER 1 19.041 -6.074 13.020 2 HA SER 1 HA SER 1 17.459 -3.944 14.287 3 HB2 SER 1 HB2 SER 1 20.460 -4.236 13.919 4 HB3 SER 1 HB3 SER 1 19.659 -2.937 14.819 5 HG SER 1 HG SER 1 20.098 -5.565 15.525 6 H GLU 2 H GLU 2 18.379 -4.482 11.080 7 HA GLU 2 HA GLU 2 18.297 -1.586 10.312 8 HB2 GLU 2 HB2 GLU 2 19.108 -4.106 8.831 9 HB3 GLU 2 HB3 GLU 2 18.872 -2.563 8.038 10 HG2 GLU 2 HG2 GLU 2 20.677 -1.542 9.252 11 HG3 GLU 2 HG3 GLU 2 20.798 -2.909 10.360 12 H ALA 3 H ALA 3 16.684 -4.734 9.793 13 HA ALA 3 HA ALA 3 14.524 -3.773 8.173 14 HB1 ALA 3 HB1 ALA 3 14.681 -6.144 10.088 15 HB2 ALA 3 HB2 ALA 3 13.456 -5.905 8.825 16 HB3 ALA 3 HB3 ALA 3 15.155 -6.148 8.375 17 H LEU 4 H LEU 4 14.914 -4.051 11.684 18 HA LEU 4 HA LEU 4 12.370 -3.198 12.560 19 HB2 LEU 4 HB2 LEU 4 14.215 -4.043 14.032 20 HB3 LEU 4 HB3 LEU 4 15.089 -2.540 13.776 21 HG LEU 4 HG LEU 4 13.134 -1.305 14.853 22 HD11 LEU 4 HD11 LEU 4 12.405 -4.128 15.700 23 HD12 LEU 4 HD12 LEU 4 11.626 -2.623 16.240 24 HD13 LEU 4 HD13 LEU 4 11.468 -3.144 14.555 25 HD21 LEU 4 HD21 LEU 4 15.189 -1.781 16.093 26 HD22 LEU 4 HD22 LEU 4 13.761 -1.926 17.134 27 HD23 LEU 4 HD23 LEU 4 14.571 -3.392 16.527 28 H ALA 5 H ALA 5 14.992 -1.184 11.240 29 HA ALA 5 HA ALA 5 13.566 1.335 11.754 30 HB1 ALA 5 HB1 ALA 5 15.395 2.338 10.484 31 HB2 ALA 5 HB2 ALA 5 16.028 1.265 11.744 32 HB3 ALA 5 HB3 ALA 5 16.023 0.738 10.051 33 H LYS 6 H LYS 6 14.257 -0.815 8.984 34 HA LYS 6 HA LYS 6 13.111 0.814 6.996 35 HB2 LYS 6 HB2 LYS 6 14.667 -1.122 6.627 36 HB3 LYS 6 HB3 LYS 6 13.298 -2.224 6.852 37 HG2 LYS 6 HG2 LYS 6 12.156 -1.262 4.905 38 HG3 LYS 6 HG3 LYS 6 13.381 0.008 4.767 39 HD2 LYS 6 HD2 LYS 6 15.083 -1.760 4.269 40 HD3 LYS 6 HD3 LYS 6 13.789 -2.975 4.260 41 HE2 LYS 6 HE2 LYS 6 12.654 -1.712 2.404 42 HE3 LYS 6 HE3 LYS 6 13.922 -0.492 2.488 43 HZ1 LYS 6 HZ1 LYS 6 14.562 -1.856 0.736 44 HZ2 LYS 6 HZ2 LYS 6 15.506 -2.393 1.966 45 HZ3 LYS 6 HZ3 LYS 6 14.174 -3.251 1.465 46 H LEU 7 H LEU 7 11.360 -1.539 9.050 47 HA LEU 7 HA LEU 7 8.904 -1.443 7.584 48 HB2 LEU 7 HB2 LEU 7 9.663 -2.064 10.433 49 HB3 LEU 7 HB3 LEU 7 7.973 -1.783 10.067 50 HG LEU 7 HG LEU 7 8.342 -4.111 10.085 51 HD11 LEU 7 HD11 LEU 7 7.440 -4.796 7.989 52 HD12 LEU 7 HD12 LEU 7 6.821 -3.169 8.323 53 HD13 LEU 7 HD13 LEU 7 8.122 -3.406 7.135 54 HD21 LEU 7 HD21 LEU 7 10.692 -4.316 9.629 55 HD22 LEU 7 HD22 LEU 7 9.791 -5.289 8.462 56 HD23 LEU 7 HD23 LEU 7 10.474 -3.726 7.963 57 H ILE 8 H ILE 8 10.135 0.895 9.976 58 HA ILE 8 HA ILE 8 7.759 2.595 9.717 59 HB ILE 8 HB ILE 8 10.475 3.117 10.939 60 HG12 ILE 8 HG12 ILE 8 9.203 1.478 12.179 61 HG13 ILE 8 HG13 ILE 8 9.264 2.985 13.077 62 HG21 ILE 8 HG21 ILE 8 8.012 4.912 10.869 63 HG22 ILE 8 HG22 ILE 8 9.379 5.122 11.983 64 HG23 ILE 8 HG23 ILE 8 9.632 5.272 10.245 65 HD11 ILE 8 HD11 ILE 8 7.055 2.030 13.304 66 HD12 ILE 8 HD12 ILE 8 6.895 3.467 12.290 67 HD13 ILE 8 HD13 ILE 8 6.871 1.846 11.556 68 H SER 9 H SER 9 10.968 2.446 8.144 69 HA SER 9 HA SER 9 10.725 4.943 6.749 70 HB2 SER 9 HB2 SER 9 12.334 2.545 5.828 71 HB3 SER 9 HB3 SER 9 12.648 4.259 5.523 72 HG SER 9 HG SER 9 12.965 4.484 7.822 73 H LEU 10 H LEU 10 9.604 1.681 5.959 74 HA LEU 10 HA LEU 10 9.120 1.954 3.177 75 HB2 LEU 10 HB2 LEU 10 8.207 0.200 5.465 76 HB3 LEU 10 HB3 LEU 10 7.291 0.100 3.981 77 HG LEU 10 HG LEU 10 10.308 -0.179 3.876 78 HD11 LEU 10 HD11 LEU 10 8.271 -2.371 4.468 79 HD12 LEU 10 HD12 LEU 10 9.961 -2.645 3.989 80 HD13 LEU 10 HD13 LEU 10 9.600 -1.843 5.520 81 HD21 LEU 10 HD21 LEU 10 9.017 0.066 1.757 82 HD22 LEU 10 HD22 LEU 10 9.762 -1.530 1.890 83 HD23 LEU 10 HD23 LEU 10 8.024 -1.340 2.219 84 H GLN 11 H GLN 11 7.430 3.513 5.743 85 HA GLN 11 HA GLN 11 4.790 3.370 4.488 86 HB2 GLN 11 HB2 GLN 11 5.861 4.337 7.114 87 HB3 GLN 11 HB3 GLN 11 4.215 4.717 6.622 88 HG2 GLN 11 HG2 GLN 11 3.730 2.331 6.218 89 HG3 GLN 11 HG3 GLN 11 5.392 1.918 6.690 90 HE21 GLN 11 HE22 GLN 11 5.882 1.664 8.843 91 HE22 GLN 11 HE21 GLN 11 4.717 2.109 10.105 92 H ALA 12 H ALA 12 3.542 5.074 3.811 93 HA ALA 12 HA ALA 12 5.074 7.375 2.661 94 HB1 ALA 12 HB1 ALA 12 2.574 5.942 1.692 95 HB2 ALA 12 HB2 ALA 12 3.373 7.298 0.873 96 HB3 ALA 12 HB3 ALA 12 4.222 5.750 1.046 97 H THR 13 H THR 13 4.121 9.415 2.445 98 HA THR 13 HA THR 13 2.445 10.174 4.764 99 HB THR 13 HB THR 13 4.092 11.913 2.895 100 HG1 THR 13 HG1 THR 13 5.513 10.630 3.777 101 HG21 THR 13 HG21 THR 13 3.156 12.429 5.738 102 HG22 THR 13 HG22 THR 13 4.226 13.466 4.777 103 HG23 THR 13 HG23 THR 13 2.548 13.242 4.279 104 H GLU 14 H GLU 14 2.225 10.266 1.200 105 HA GLU 14 HA GLU 14 -0.356 11.728 1.396 106 HB2 GLU 14 HB2 GLU 14 0.301 12.953 -0.596 107 HB3 GLU 14 HB3 GLU 14 1.346 13.287 0.768 108 HG2 GLU 14 HG2 GLU 14 2.092 11.338 -1.449 109 HG3 GLU 14 HG3 GLU 14 2.434 13.058 -1.522 110 H ALA 15 H ALA 15 -1.893 11.420 -0.278 111 HA ALA 15 HA ALA 15 -1.560 9.103 -2.090 112 HB1 ALA 15 HB1 ALA 15 -3.783 9.326 -0.009 113 HB2 ALA 15 HB2 ALA 15 -3.590 8.029 -1.212 114 HB3 ALA 15 HB3 ALA 15 -2.396 8.220 0.086 115 H THR 16 H THR 16 -3.466 8.838 -3.485 116 HA THR 16 HA THR 16 -5.023 11.358 -4.037 117 HB THR 16 HB THR 16 -4.135 9.297 -6.069 118 HG1 THR 16 HG1 THR 16 -2.528 10.761 -5.460 119 HG21 THR 16 HG21 THR 16 -6.329 10.208 -6.731 120 HG22 THR 16 HG22 THR 16 -5.766 11.861 -6.391 121 HG23 THR 16 HG23 THR 16 -5.057 10.920 -7.726 122 H ILE 17 H ILE 17 -7.042 11.142 -3.214 123 HA ILE 17 HA ILE 17 -8.461 8.518 -3.235 124 HB ILE 17 HB ILE 17 -9.365 11.220 -2.158 125 HG12 ILE 17 HG12 ILE 17 -8.348 8.772 -0.671 126 HG13 ILE 17 HG13 ILE 17 -7.502 10.300 -0.851 127 HG21 ILE 17 HG21 ILE 17 -11.301 9.841 -2.830 128 HG22 ILE 17 HG22 ILE 17 -10.659 8.460 -1.910 129 HG23 ILE 17 HG23 ILE 17 -11.223 9.938 -1.098 130 HD11 ILE 17 HD11 ILE 17 -10.036 9.784 0.755 131 HD12 ILE 17 HD12 ILE 17 -8.443 10.228 1.356 132 HD13 ILE 17 HD13 ILE 17 -9.388 11.412 0.426 133 H VAL 18 H VAL 18 -10.172 8.065 -4.619 134 HA VAL 18 HA VAL 18 -10.806 10.107 -6.720 135 HB VAL 18 HB VAL 18 -11.362 7.135 -6.719 136 HG11 VAL 18 HG11 VAL 18 -11.697 9.245 -8.899 137 HG12 VAL 18 HG12 VAL 18 -11.880 7.495 -9.121 138 HG13 VAL 18 HG13 VAL 18 -13.007 8.362 -8.081 139 HG21 VAL 18 HG21 VAL 18 -8.993 7.424 -6.927 140 HG22 VAL 18 HG22 VAL 18 -9.630 7.147 -8.555 141 HG23 VAL 18 HG23 VAL 18 -9.191 8.783 -8.054 142 H THR 19 H THR 19 -12.643 11.235 -6.552 143 HA THR 19 HA THR 19 -15.018 9.991 -5.244 144 HB THR 19 HB THR 19 -14.004 12.827 -4.896 145 HG1 THR 19 HG1 THR 19 -13.863 12.157 -2.774 146 HG21 THR 19 HG21 THR 19 -15.955 13.045 -3.328 147 HG22 THR 19 HG22 THR 19 -16.453 12.925 -5.015 148 HG23 THR 19 HG23 THR 19 -16.585 11.503 -3.954 149 H LEU 20 H LEU 20 -16.969 10.359 -6.164 150 HA LEU 20 HA LEU 20 -16.879 11.419 -8.959 151 HB2 LEU 20 HB2 LEU 20 -18.773 9.329 -7.863 152 HB3 LEU 20 HB3 LEU 20 -18.512 9.792 -9.543 153 HG LEU 20 HG LEU 20 -16.468 8.396 -7.747 154 HD11 LEU 20 HD11 LEU 20 -17.868 7.253 -10.172 155 HD12 LEU 20 HD12 LEU 20 -16.870 6.427 -8.977 156 HD13 LEU 20 HD13 LEU 20 -18.463 7.022 -8.502 157 HD21 LEU 20 HD21 LEU 20 -15.309 9.752 -9.438 158 HD22 LEU 20 HD22 LEU 20 -15.199 8.040 -9.858 159 HD23 LEU 20 HD23 LEU 20 -16.352 9.089 -10.715 160 H ASP 21 H ASP 21 -18.072 13.149 -9.509 161 HA ASP 21 HA ASP 21 -19.758 14.288 -7.347 162 HB2 ASP 21 HB2 ASP 21 -17.534 15.289 -8.342 163 HB3 ASP 21 HB3 ASP 21 -18.588 15.901 -9.588 164 H SER 22 H SER 22 -20.655 12.728 -9.946 165 HA SER 22 HA SER 22 -23.159 14.302 -10.292 166 HB2 SER 22 HB2 SER 22 -21.501 13.448 -12.651 167 HB3 SER 22 HB3 SER 22 -23.251 13.562 -12.772 168 HG SER 22 HG SER 22 -22.035 15.466 -13.360 169 H ASP 23 H ASP 23 -22.451 11.536 -12.279 170 HA ASP 23 HA ASP 23 -23.942 9.634 -10.555 171 HB2 ASP 23 HB2 ASP 23 -25.591 10.736 -12.022 172 HB3 ASP 23 HB3 ASP 23 -24.603 10.381 -13.443 173 H ASN 24 H ASN 24 -21.459 9.325 -10.449 174 HA ASN 24 HA ASN 24 -19.528 8.453 -10.906 175 HB2 ASN 24 HB2 ASN 24 -19.409 6.106 -11.471 176 HB3 ASN 24 HB3 ASN 24 -20.717 6.452 -10.363 177 HD21 ASN 24 HD22 ASN 24 -22.786 5.847 -10.981 178 HD22 ASN 24 HD21 ASN 24 -23.042 4.940 -12.462 179 H ILE 25 H ILE 25 -21.114 9.373 -13.703 180 HA ILE 25 HA ILE 25 -18.975 9.065 -15.588 181 HB ILE 25 HB ILE 25 -20.233 10.701 -16.951 182 HG12 ILE 25 HG12 ILE 25 -22.149 10.911 -14.580 183 HG13 ILE 25 HG13 ILE 25 -21.020 12.175 -15.071 184 HG21 ILE 25 HG21 ILE 25 -22.145 9.288 -17.315 185 HG22 ILE 25 HG22 ILE 25 -20.775 8.266 -16.863 186 HG23 ILE 25 HG23 ILE 25 -22.044 8.625 -15.673 187 HD11 ILE 25 HD11 ILE 25 -22.158 12.316 -17.286 188 HD12 ILE 25 HD12 ILE 25 -23.370 11.148 -16.702 189 HD13 ILE 25 HD13 ILE 25 -23.204 12.722 -15.910 190 H LEU 26 H LEU 26 -19.086 11.209 -12.975 191 HA LEU 26 HA LEU 26 -17.242 13.173 -14.277 192 HB2 LEU 26 HB2 LEU 26 -19.365 14.217 -13.818 193 HB3 LEU 26 HB3 LEU 26 -19.381 13.572 -12.170 194 HG LEU 26 HG LEU 26 -17.583 15.010 -11.476 195 HD11 LEU 26 HD11 LEU 26 -17.480 16.022 -14.336 196 HD12 LEU 26 HD12 LEU 26 -16.648 16.750 -12.938 197 HD13 LEU 26 HD13 LEU 26 -16.190 15.136 -13.478 198 HD21 LEU 26 HD21 LEU 26 -19.587 16.609 -13.127 199 HD22 LEU 26 HD22 LEU 26 -19.886 15.947 -11.506 200 HD23 LEU 26 HD23 LEU 26 -18.649 17.190 -11.726 201 H LEU 27 H LEU 27 -15.364 12.628 -13.719 202 HA LEU 27 HA LEU 27 -14.719 11.461 -11.043 203 HB2 LEU 27 HB2 LEU 27 -13.156 11.615 -13.625 204 HB3 LEU 27 HB3 LEU 27 -12.401 11.201 -12.094 205 HG LEU 27 HG LEU 27 -13.810 9.247 -11.809 206 HD11 LEU 27 HD11 LEU 27 -15.043 9.978 -14.495 207 HD12 LEU 27 HD12 LEU 27 -15.188 8.383 -13.727 208 HD13 LEU 27 HD13 LEU 27 -15.893 9.792 -12.944 209 HD21 LEU 27 HD21 LEU 27 -11.688 9.099 -13.074 210 HD22 LEU 27 HD22 LEU 27 -12.876 7.893 -13.606 211 HD23 LEU 27 HD23 LEU 27 -12.583 9.347 -14.588 212 H SER 28 H SER 28 -13.849 12.509 -9.430 213 HA SER 28 HA SER 28 -12.453 15.112 -9.796 214 HB2 SER 28 HB2 SER 28 -14.892 15.463 -9.456 215 HB3 SER 28 HB3 SER 28 -14.816 14.590 -7.928 216 HG SER 28 HG SER 28 -13.778 16.231 -7.027 217 H GLU 29 H GLU 29 -10.506 13.941 -9.322 218 HA GLU 29 HA GLU 29 -10.353 12.415 -6.829 219 HB2 GLU 29 HB2 GLU 29 -7.996 13.085 -8.603 220 HB3 GLU 29 HB3 GLU 29 -8.184 11.807 -7.414 221 HG2 GLU 29 HG2 GLU 29 -8.410 10.596 -9.305 222 HG3 GLU 29 HG3 GLU 29 -10.099 10.904 -8.908 223 H GLU 30 H GLU 30 -8.889 12.793 -5.121 224 HA GLU 30 HA GLU 30 -8.222 15.679 -4.556 225 HB2 GLU 30 HB2 GLU 30 -9.029 13.479 -2.604 226 HB3 GLU 30 HB3 GLU 30 -8.617 15.133 -2.190 227 HG2 GLU 30 HG2 GLU 30 -11.051 14.258 -3.801 228 HG3 GLU 30 HG3 GLU 30 -11.033 14.664 -2.088 229 H GLN 31 H GLN 31 -6.083 16.107 -3.956 230 HA GLN 31 HA GLN 31 -4.266 13.811 -3.432 231 HB2 GLN 31 HB2 GLN 31 -3.793 16.767 -4.005 232 HB3 GLN 31 HB3 GLN 31 -2.552 15.676 -3.371 233 HG2 GLN 31 HG2 GLN 31 -2.956 14.168 -5.341 234 HG3 GLN 31 HG3 GLN 31 -3.923 15.473 -6.082 235 HE21 GLN 31 HE22 GLN 31 -0.919 14.275 -5.063 236 HE22 GLN 31 HE21 GLN 31 -0.244 15.778 -4.832 237 H VAL 32 H VAL 32 -3.971 13.255 -1.368 238 HA VAL 32 HA VAL 32 -4.643 15.202 0.813 239 HB VAL 32 HB VAL 32 -5.855 13.456 1.973 240 HG11 VAL 32 HG11 VAL 32 -6.970 13.659 -0.842 241 HG12 VAL 32 HG12 VAL 32 -7.863 13.340 0.654 242 HG13 VAL 32 HG13 VAL 32 -7.107 14.923 0.404 243 HG21 VAL 32 HG21 VAL 32 -4.709 11.437 1.115 244 HG22 VAL 32 HG22 VAL 32 -6.453 11.327 0.980 245 HG23 VAL 32 HG23 VAL 32 -5.481 11.679 -0.470 246 H ASP 33 H ASP 33 -3.894 14.714 2.865 247 HA ASP 33 HA ASP 33 -1.354 13.225 3.047 248 HB2 ASP 33 HB2 ASP 33 -1.775 15.343 4.323 249 HB3 ASP 33 HB3 ASP 33 -3.022 14.510 5.248 250 H VAL 34 H VAL 34 -1.118 11.252 3.967 251 HA VAL 34 HA VAL 34 -3.131 9.318 3.813 252 HB VAL 34 HB VAL 34 -0.642 8.978 3.842 253 HG11 VAL 34 HG11 VAL 34 0.495 8.513 5.940 254 HG12 VAL 34 HG12 VAL 34 -0.137 10.163 5.974 255 HG13 VAL 34 HG13 VAL 34 -0.961 8.870 6.875 256 HG21 VAL 34 HG21 VAL 34 -2.175 7.040 5.607 257 HG22 VAL 34 HG22 VAL 34 -2.243 7.086 3.833 258 HG23 VAL 34 HG23 VAL 34 -0.716 6.716 4.654 259 H GLU 35 H GLU 35 -2.669 11.495 6.494 260 HA GLU 35 HA GLU 35 -4.081 9.943 8.490 261 HB2 GLU 35 HB2 GLU 35 -2.473 11.929 8.700 262 HB3 GLU 35 HB3 GLU 35 -3.851 12.965 8.319 263 HG2 GLU 35 HG2 GLU 35 -5.022 12.123 10.325 264 HG3 GLU 35 HG3 GLU 35 -3.702 10.984 10.641 265 H LEU 36 H LEU 36 -5.215 11.765 5.728 266 HA LEU 36 HA LEU 36 -7.829 12.385 6.908 267 HB2 LEU 36 HB2 LEU 36 -6.770 12.867 4.104 268 HB3 LEU 36 HB3 LEU 36 -8.203 13.597 4.822 269 HG LEU 36 HG LEU 36 -5.318 14.090 5.680 270 HD11 LEU 36 HD11 LEU 36 -7.366 15.917 4.353 271 HD12 LEU 36 HD12 LEU 36 -5.709 16.352 4.827 272 HD13 LEU 36 HD13 LEU 36 -5.973 15.163 3.546 273 HD21 LEU 36 HD21 LEU 36 -6.764 14.262 7.652 274 HD22 LEU 36 HD22 LEU 36 -6.266 15.868 7.120 275 HD23 LEU 36 HD23 LEU 36 -7.906 15.292 6.751 276 H VAL 37 H VAL 37 -6.741 9.562 5.497 277 HA VAL 37 HA VAL 37 -9.308 9.007 4.110 278 HB VAL 37 HB VAL 37 -7.169 8.570 2.949 279 HG11 VAL 37 HG11 VAL 37 -6.929 6.162 4.809 280 HG12 VAL 37 HG12 VAL 37 -5.913 6.533 3.402 281 HG13 VAL 37 HG13 VAL 37 -5.869 7.584 4.819 282 HG21 VAL 37 HG21 VAL 37 -9.302 7.511 2.267 283 HG22 VAL 37 HG22 VAL 37 -7.876 6.520 1.914 284 HG23 VAL 37 HG23 VAL 37 -8.913 6.105 3.283 285 H GLN 38 H GLN 38 -10.676 7.435 4.583 286 HA GLN 38 HA GLN 38 -10.373 5.765 7.036 287 HB2 GLN 38 HB2 GLN 38 -12.830 7.230 5.958 288 HB3 GLN 38 HB3 GLN 38 -12.916 5.926 7.151 289 HG2 GLN 38 HG2 GLN 38 -11.632 7.172 8.754 290 HG3 GLN 38 HG3 GLN 38 -11.220 8.409 7.568 291 HE21 GLN 38 HE22 GLN 38 -14.500 7.062 8.374 292 HE22 GLN 38 HE21 GLN 38 -15.091 8.699 8.573 293 H ARG 39 H ARG 39 -11.774 3.772 6.862 294 HA ARG 39 HA ARG 39 -11.226 2.481 4.253 295 HB2 ARG 39 HB2 ARG 39 -11.860 0.410 5.245 296 HB3 ARG 39 HB3 ARG 39 -10.835 1.283 6.384 297 HG2 ARG 39 HG2 ARG 39 -13.193 2.104 7.325 298 HG3 ARG 39 HG3 ARG 39 -13.794 0.655 6.526 299 HD2 ARG 39 HD2 ARG 39 -12.278 -0.743 7.871 300 HD3 ARG 39 HD3 ARG 39 -11.494 0.701 8.522 301 HE ARG 39 HE ARG 39 -13.264 1.132 9.940 302 HH11 ARG 39 HH11 ARG 39 -14.053 -1.838 8.199 303 HH12 ARG 39 HH12 ARG 39 -15.506 -2.057 9.143 304 HH21 ARG 39 HH21 ARG 39 -15.144 0.766 11.030 305 HH22 ARG 39 HH22 ARG 39 -16.160 -0.576 10.585 306 H GLY 40 H GLY 40 -12.813 1.734 2.680 307 HA2 GLY 40 HA2 GLY 40 -15.076 1.429 1.986 308 HA3 GLY 40 HA3 GLY 40 -15.606 2.699 3.085 309 H ASP 41 H ASP 41 -12.696 2.923 1.013 310 HA ASP 41 HA ASP 41 -13.963 4.707 -0.942 311 HB2 ASP 41 HB2 ASP 41 -11.900 5.631 1.094 312 HB3 ASP 41 HB3 ASP 41 -12.079 6.411 -0.478 313 H ILE 42 H ILE 42 -12.325 5.393 -2.635 314 HA ILE 42 HA ILE 42 -10.462 3.124 -3.196 315 HB ILE 42 HB ILE 42 -12.451 4.408 -5.087 316 HG12 ILE 42 HG12 ILE 42 -12.127 1.572 -4.003 317 HG13 ILE 42 HG13 ILE 42 -13.392 2.702 -3.547 318 HG21 ILE 42 HG21 ILE 42 -11.558 2.906 -6.828 319 HG22 ILE 42 HG22 ILE 42 -10.302 3.985 -6.269 320 HG23 ILE 42 HG23 ILE 42 -10.321 2.300 -5.699 321 HD11 ILE 42 HD11 ILE 42 -14.329 1.096 -5.032 322 HD12 ILE 42 HD12 ILE 42 -14.236 2.638 -5.916 323 HD13 ILE 42 HD13 ILE 42 -13.061 1.334 -6.236 324 H ILE 43 H ILE 43 -8.455 3.583 -3.696 325 HA ILE 43 HA ILE 43 -7.609 6.355 -4.176 326 HB ILE 43 HB ILE 43 -6.049 3.934 -3.206 327 HG12 ILE 43 HG12 ILE 43 -7.859 4.084 -1.641 328 HG13 ILE 43 HG13 ILE 43 -6.363 4.597 -0.894 329 HG21 ILE 43 HG21 ILE 43 -4.676 5.862 -3.916 330 HG22 ILE 43 HG22 ILE 43 -5.522 6.893 -2.750 331 HG23 ILE 43 HG23 ILE 43 -4.527 5.540 -2.186 332 HD11 ILE 43 HD11 ILE 43 -7.034 6.926 -0.966 333 HD12 ILE 43 HD12 ILE 43 -8.484 6.533 -1.923 334 HD13 ILE 43 HD13 ILE 43 -8.350 5.967 -0.259 335 H LYS 44 H LYS 44 -6.690 6.862 -6.147 336 HA LYS 44 HA LYS 44 -5.771 4.774 -7.983 337 HB2 LYS 44 HB2 LYS 44 -6.930 6.801 -8.763 338 HB3 LYS 44 HB3 LYS 44 -5.497 7.754 -8.343 339 HG2 LYS 44 HG2 LYS 44 -4.116 6.509 -9.888 340 HG3 LYS 44 HG3 LYS 44 -5.354 5.281 -10.143 341 HD2 LYS 44 HD2 LYS 44 -5.723 8.165 -10.965 342 HD3 LYS 44 HD3 LYS 44 -4.984 6.919 -11.999 343 HE2 LYS 44 HE2 LYS 44 -7.074 5.538 -11.746 344 HE3 LYS 44 HE3 LYS 44 -7.813 6.904 -10.888 345 HZ1 LYS 44 HZ1 LYS 44 -8.438 6.983 -13.168 346 HZ2 LYS 44 HZ2 LYS 44 -7.459 8.251 -12.899 347 HZ3 LYS 44 HZ3 LYS 44 -6.895 6.924 -13.721 348 H VAL 45 H VAL 45 -3.839 3.869 -8.172 349 HA VAL 45 HA VAL 45 -1.440 5.331 -7.173 350 HB VAL 45 HB VAL 45 -2.073 3.024 -6.245 351 HG11 VAL 45 HG11 VAL 45 -0.810 2.038 -8.841 352 HG12 VAL 45 HG12 VAL 45 -1.308 1.070 -7.452 353 HG13 VAL 45 HG13 VAL 45 -2.531 1.917 -8.427 354 HG21 VAL 45 HG21 VAL 45 0.146 4.095 -5.917 355 HG22 VAL 45 HG22 VAL 45 0.284 2.342 -6.081 356 HG23 VAL 45 HG23 VAL 45 0.718 3.392 -7.446 357 H VAL 46 H VAL 46 0.097 5.957 -8.580 358 HA VAL 46 HA VAL 46 -0.271 5.566 -11.460 359 HB VAL 46 HB VAL 46 1.612 7.185 -11.627 360 HG11 VAL 46 HG11 VAL 46 -0.556 8.101 -9.698 361 HG12 VAL 46 HG12 VAL 46 0.413 9.108 -10.789 362 HG13 VAL 46 HG13 VAL 46 -0.741 7.948 -11.460 363 HG21 VAL 46 HG21 VAL 46 2.884 6.610 -9.589 364 HG22 VAL 46 HG22 VAL 46 2.491 8.325 -9.680 365 HG23 VAL 46 HG23 VAL 46 1.577 7.283 -8.582 366 HA PRO 47 HA PRO 47 3.079 2.554 -12.123 367 HB2 PRO 47 HB2 PRO 47 4.533 3.704 -14.183 368 HB3 PRO 47 HB3 PRO 47 3.012 2.806 -14.427 369 HG2 PRO 47 HG2 PRO 47 3.380 5.808 -14.182 370 HG3 PRO 47 HG3 PRO 47 2.436 4.903 -15.411 371 HD2 PRO 47 HD2 PRO 47 1.184 5.988 -13.309 372 HD3 PRO 47 HD3 PRO 47 0.758 4.344 -13.834 373 H GLY 48 H GLY 48 5.023 2.402 -10.993 374 HA2 GLY 48 HA2 GLY 48 6.971 3.081 -9.914 375 HA3 GLY 48 HA3 GLY 48 6.759 4.705 -10.545 376 H GLY 49 H GLY 49 3.815 4.304 -9.180 377 HA2 GLY 49 HA2 GLY 49 4.418 5.839 -6.814 378 HA3 GLY 49 HA3 GLY 49 2.854 5.183 -7.282 379 H LYS 50 H LYS 50 3.189 5.179 -4.719 380 HA LYS 50 HA LYS 50 4.011 2.419 -3.855 381 HB2 LYS 50 HB2 LYS 50 3.988 5.002 -2.241 382 HB3 LYS 50 HB3 LYS 50 4.459 3.402 -1.650 383 HG2 LYS 50 HG2 LYS 50 6.346 3.359 -3.265 384 HG3 LYS 50 HG3 LYS 50 5.893 4.972 -3.841 385 HD2 LYS 50 HD2 LYS 50 6.222 5.870 -1.539 386 HD3 LYS 50 HD3 LYS 50 6.786 4.269 -1.014 387 HE2 LYS 50 HE2 LYS 50 8.606 4.370 -2.712 388 HE3 LYS 50 HE3 LYS 50 8.036 5.963 -3.226 389 HZ1 LYS 50 HZ1 LYS 50 9.089 5.340 -0.508 390 HZ2 LYS 50 HZ2 LYS 50 9.870 6.192 -1.643 391 HZ3 LYS 50 HZ3 LYS 50 8.516 6.800 -0.980 392 H PHE 51 H PHE 51 2.709 1.339 -2.356 393 HA PHE 51 HA PHE 51 -0.141 2.174 -2.301 394 HB2 PHE 51 HB2 PHE 51 1.192 -0.383 -1.380 395 HB3 PHE 51 HB3 PHE 51 -0.533 -0.056 -1.327 396 HD1 PHE 51 HD1 PHE 51 2.339 -0.774 -3.528 397 HD2 PHE 51 HD2 PHE 51 -1.901 -0.086 -3.397 398 HE1 PHE 51 HE1 PHE 51 2.170 -1.506 -5.873 399 HE2 PHE 51 HE2 PHE 51 -2.081 -0.929 -5.737 400 HZ PHE 51 HZ PHE 51 -0.050 -1.594 -6.991 401 HA PRO 52 HA PRO 52 1.006 3.826 1.749 402 HB2 PRO 52 HB2 PRO 52 -0.962 5.636 2.143 403 HB3 PRO 52 HB3 PRO 52 0.229 5.815 0.819 404 HG2 PRO 52 HG2 PRO 52 -2.575 4.666 0.649 405 HG3 PRO 52 HG3 PRO 52 -1.822 5.905 -0.402 406 HD2 PRO 52 HD2 PRO 52 -1.896 3.237 -1.064 407 HD3 PRO 52 HD3 PRO 52 -0.562 4.324 -1.547 408 H VAL 53 H VAL 53 -1.609 1.754 1.279 409 HA VAL 53 HA VAL 53 -2.024 1.112 4.060 410 HB VAL 53 HB VAL 53 -4.519 1.148 3.896 411 HG11 VAL 53 HG11 VAL 53 -3.264 3.913 3.846 412 HG12 VAL 53 HG12 VAL 53 -4.796 3.432 4.600 413 HG13 VAL 53 HG13 VAL 53 -3.265 2.810 5.237 414 HG21 VAL 53 HG21 VAL 53 -4.694 1.474 1.428 415 HG22 VAL 53 HG22 VAL 53 -5.626 2.658 2.364 416 HG23 VAL 53 HG23 VAL 53 -4.079 3.133 1.636 417 H ASP 54 H ASP 54 -3.733 -0.885 4.025 418 HA ASP 54 HA ASP 54 -2.938 -2.564 1.698 419 HB2 ASP 54 HB2 ASP 54 -2.638 -4.361 2.949 420 HB3 ASP 54 HB3 ASP 54 -2.136 -3.150 4.112 421 H GLY 55 H GLY 55 -4.430 -3.773 0.534 422 HA2 GLY 55 HA2 GLY 55 -7.228 -3.915 1.106 423 HA3 GLY 55 HA3 GLY 55 -6.918 -2.441 0.193 424 H ARG 56 H ARG 56 -8.291 -3.287 -1.381 425 HA ARG 56 HA ARG 56 -7.242 -5.579 -3.019 426 HB2 ARG 56 HB2 ARG 56 -9.571 -5.521 -1.606 427 HB3 ARG 56 HB3 ARG 56 -10.161 -4.961 -3.168 428 HG2 ARG 56 HG2 ARG 56 -9.246 -6.965 -4.266 429 HG3 ARG 56 HG3 ARG 56 -8.460 -7.468 -2.768 430 HD2 ARG 56 HD2 ARG 56 -11.454 -7.378 -3.288 431 HD3 ARG 56 HD3 ARG 56 -10.406 -8.808 -3.148 432 HE ARG 56 HE ARG 56 -10.300 -7.166 -0.757 433 HH11 ARG 56 HH11 ARG 56 -12.431 -9.626 -2.200 434 HH12 ARG 56 HH12 ARG 56 -12.756 -10.294 -0.625 435 HH21 ARG 56 HH21 ARG 56 -11.017 -7.838 1.060 436 HH22 ARG 56 HH22 ARG 56 -12.211 -9.133 1.185 437 H VAL 57 H VAL 57 -6.940 -5.412 -5.143 438 HA VAL 57 HA VAL 57 -7.143 -2.727 -6.413 439 HB VAL 57 HB VAL 57 -5.793 -5.230 -7.495 440 HG11 VAL 57 HG11 VAL 57 -5.479 -2.272 -8.186 441 HG12 VAL 57 HG12 VAL 57 -4.548 -3.614 -8.893 442 HG13 VAL 57 HG13 VAL 57 -6.276 -3.502 -9.191 443 HG21 VAL 57 HG21 VAL 57 -4.663 -4.719 -5.416 444 HG22 VAL 57 HG22 VAL 57 -3.642 -4.244 -6.776 445 HG23 VAL 57 HG23 VAL 57 -4.525 -3.007 -5.860 446 H ILE 58 H ILE 58 -8.746 -2.338 -7.896 447 HA ILE 58 HA ILE 58 -10.082 -4.647 -9.263 448 HB ILE 58 HB ILE 58 -12.323 -3.476 -8.624 449 HG12 ILE 58 HG12 ILE 58 -10.673 -2.583 -6.236 450 HG13 ILE 58 HG13 ILE 58 -11.048 -1.487 -7.583 451 HG21 ILE 58 HG21 ILE 58 -11.616 -5.735 -7.891 452 HG22 ILE 58 HG22 ILE 58 -10.829 -5.011 -6.469 453 HG23 ILE 58 HG23 ILE 58 -12.583 -4.886 -6.690 454 HD11 ILE 58 HD11 ILE 58 -13.086 -2.819 -5.758 455 HD12 ILE 58 HD12 ILE 58 -12.646 -1.101 -5.831 456 HD13 ILE 58 HD13 ILE 58 -13.472 -1.851 -7.206 457 H GLU 59 H GLU 59 -8.299 -2.512 -10.179 458 HA GLU 59 HA GLU 59 -9.457 -2.397 -12.749 459 HB2 GLU 59 HB2 GLU 59 -10.359 -0.215 -11.304 460 HB3 GLU 59 HB3 GLU 59 -8.883 0.439 -11.972 461 HG2 GLU 59 HG2 GLU 59 -9.614 -0.088 -14.248 462 HG3 GLU 59 HG3 GLU 59 -10.997 -0.997 -13.635 463 H GLY 60 H GLY 60 -7.716 -2.556 -14.159 464 HA2 GLY 60 HA2 GLY 60 -5.684 -1.916 -15.103 465 HA3 GLY 60 HA3 GLY 60 -5.208 -1.094 -13.623 466 H HIS 61 H HIS 61 -3.289 -2.356 -14.762 467 HA HIS 61 HA HIS 61 -2.789 -4.861 -13.238 468 HB2 HIS 61 HB2 HIS 61 -2.002 -6.048 -15.190 469 HB3 HIS 61 HB3 HIS 61 -3.678 -5.565 -15.389 470 HD1 HIS 61 HD1 HIS 61 -0.495 -5.522 -17.264 471 HD2 HIS 61 HD2 HIS 61 -3.972 -3.165 -16.998 472 HE1 HIS 61 HE1 HIS 61 -0.539 -4.081 -19.351 473 H SER 62 H SER 62 -0.808 -5.029 -12.334 474 HA SER 62 HA SER 62 1.551 -3.912 -13.582 475 HB2 SER 62 HB2 SER 62 0.359 -2.608 -11.153 476 HB3 SER 62 HB3 SER 62 2.108 -2.655 -11.282 477 HG SER 62 HG SER 62 0.415 -1.827 -13.401 478 H MET 63 H MET 63 3.582 -4.193 -12.261 479 HA MET 63 HA MET 63 3.415 -6.649 -10.567 480 HB2 MET 63 HB2 MET 63 4.716 -6.948 -12.597 481 HB3 MET 63 HB3 MET 63 5.773 -5.595 -12.159 482 HG2 MET 63 HG2 MET 63 6.649 -6.736 -10.294 483 HG3 MET 63 HG3 MET 63 5.355 -7.936 -10.272 484 HE1 MET 63 HE1 MET 63 5.038 -9.165 -13.048 485 HE2 MET 63 HE2 MET 63 6.248 -10.462 -13.006 486 HE3 MET 63 HE3 MET 63 5.276 -10.114 -11.560 487 H VAL 64 H VAL 64 3.998 -6.545 -8.497 488 HA VAL 64 HA VAL 64 4.802 -3.889 -7.423 489 HB VAL 64 HB VAL 64 2.772 -5.882 -6.405 490 HG11 VAL 64 HG11 VAL 64 3.808 -4.931 -4.446 491 HG12 VAL 64 HG12 VAL 64 3.753 -3.289 -5.140 492 HG13 VAL 64 HG13 VAL 64 2.257 -4.125 -4.690 493 HG21 VAL 64 HG21 VAL 64 1.935 -4.532 -8.258 494 HG22 VAL 64 HG22 VAL 64 1.251 -3.887 -6.760 495 HG23 VAL 64 HG23 VAL 64 2.600 -3.057 -7.548 496 H ASP 65 H ASP 65 6.315 -3.639 -5.944 497 HA ASP 65 HA ASP 65 8.082 -5.902 -5.357 498 HB2 ASP 65 HB2 ASP 65 8.869 -3.824 -6.415 499 HB3 ASP 65 HB3 ASP 65 8.329 -2.892 -5.024 500 H GLU 66 H GLU 66 7.309 -7.063 -3.695 501 HA GLU 66 HA GLU 66 6.800 -5.760 -1.062 502 HB2 GLU 66 HB2 GLU 66 4.965 -7.297 -0.684 503 HB3 GLU 66 HB3 GLU 66 4.680 -6.260 -2.077 504 HG2 GLU 66 HG2 GLU 66 5.172 -8.113 -3.613 505 HG3 GLU 66 HG3 GLU 66 5.609 -9.158 -2.260 506 H SER 67 H SER 67 8.974 -7.662 -2.382 507 HA SER 67 HA SER 67 9.173 -9.939 -0.749 508 HB2 SER 67 HB2 SER 67 11.597 -10.079 -1.339 509 HB3 SER 67 HB3 SER 67 10.487 -9.929 -2.689 510 HG SER 67 HG SER 67 12.428 -8.618 -2.754 511 H LEU 68 H LEU 68 9.508 -6.860 0.604 512 HA LEU 68 HA LEU 68 10.995 -7.926 2.950 513 HB2 LEU 68 HB2 LEU 68 11.284 -5.604 1.822 514 HB3 LEU 68 HB3 LEU 68 9.774 -5.168 2.584 515 HG LEU 68 HG LEU 68 11.735 -4.315 3.730 516 HD11 LEU 68 HD11 LEU 68 10.544 -6.383 5.589 517 HD12 LEU 68 HD12 LEU 68 11.216 -4.799 5.976 518 HD13 LEU 68 HD13 LEU 68 9.686 -4.909 5.083 519 HD21 LEU 68 HD21 LEU 68 13.328 -6.134 3.199 520 HD22 LEU 68 HD22 LEU 68 13.333 -5.687 4.913 521 HD23 LEU 68 HD23 LEU 68 12.522 -7.174 4.393 522 H ILE 69 H ILE 69 7.696 -7.061 1.926 523 HA ILE 69 HA ILE 69 6.607 -7.075 4.636 524 HB ILE 69 HB ILE 69 5.146 -6.994 1.971 525 HG12 ILE 69 HG12 ILE 69 6.677 -5.063 2.105 526 HG13 ILE 69 HG13 ILE 69 4.985 -4.620 2.125 527 HG21 ILE 69 HG21 ILE 69 4.276 -6.451 4.840 528 HG22 ILE 69 HG22 ILE 69 3.360 -5.899 3.433 529 HG23 ILE 69 HG23 ILE 69 3.606 -7.628 3.695 530 HD11 ILE 69 HD11 ILE 69 6.184 -3.229 3.673 531 HD12 ILE 69 HD12 ILE 69 5.076 -4.268 4.575 532 HD13 ILE 69 HD13 ILE 69 6.817 -4.647 4.550 533 H THR 70 H THR 70 5.730 -9.049 1.728 534 HA THR 70 HA THR 70 4.600 -11.162 3.393 535 HB THR 70 HB THR 70 4.189 -12.189 1.069 536 HG1 THR 70 HG1 THR 70 4.285 -10.362 -0.522 537 HG21 THR 70 HG21 THR 70 3.117 -9.376 1.568 538 HG22 THR 70 HG22 THR 70 2.363 -10.650 0.588 539 HG23 THR 70 HG23 THR 70 2.499 -10.856 2.338 540 H GLY 71 H GLY 71 7.669 -10.548 2.205 541 HA2 GLY 71 HA2 GLY 71 9.678 -11.699 2.730 542 HA3 GLY 71 HA3 GLY 71 8.732 -13.032 3.412 543 H GLU 72 H GLU 72 8.126 -11.773 0.253 544 HA GLU 72 HA GLU 72 8.680 -14.234 -1.242 545 HB2 GLU 72 HB2 GLU 72 8.092 -11.360 -2.083 546 HB3 GLU 72 HB3 GLU 72 8.222 -12.700 -3.209 547 HG2 GLU 72 HG2 GLU 72 6.178 -12.626 -0.949 548 HG3 GLU 72 HG3 GLU 72 5.878 -12.022 -2.577 549 H ALA 73 H ALA 73 10.102 -13.610 -3.422 550 HA ALA 73 HA ALA 73 12.685 -12.403 -2.548 551 HB1 ALA 73 HB1 ALA 73 13.930 -14.206 -3.601 552 HB2 ALA 73 HB2 ALA 73 12.908 -14.816 -2.288 553 HB3 ALA 73 HB3 ALA 73 12.416 -15.063 -3.985 554 H MET 74 H MET 74 10.190 -12.543 -4.923 555 HA MET 74 HA MET 74 11.581 -10.464 -6.366 556 HB2 MET 74 HB2 MET 74 11.080 -11.430 -8.600 557 HB3 MET 74 HB3 MET 74 12.349 -12.256 -7.706 558 HG2 MET 74 HG2 MET 74 10.790 -14.050 -7.091 559 HG3 MET 74 HG3 MET 74 9.479 -13.233 -7.959 560 HE1 MET 74 HE1 MET 74 9.223 -15.757 -8.996 561 HE2 MET 74 HE2 MET 74 10.476 -16.529 -9.997 562 HE3 MET 74 HE3 MET 74 10.739 -16.319 -8.253 563 HA PRO 75 HA PRO 75 7.717 -8.443 -6.259 564 HB2 PRO 75 HB2 PRO 75 8.216 -8.003 -9.220 565 HB3 PRO 75 HB3 PRO 75 7.557 -6.829 -8.033 566 HG2 PRO 75 HG2 PRO 75 10.159 -6.727 -8.640 567 HG3 PRO 75 HG3 PRO 75 9.693 -6.705 -6.911 568 HD2 PRO 75 HD2 PRO 75 10.711 -9.033 -8.553 569 HD3 PRO 75 HD3 PRO 75 11.120 -8.539 -6.886 570 H VAL 76 H VAL 76 5.510 -8.430 -6.820 571 HA VAL 76 HA VAL 76 4.549 -11.031 -7.961 572 HB VAL 76 HB VAL 76 3.380 -9.301 -5.751 573 HG11 VAL 76 HG11 VAL 76 2.524 -12.027 -6.822 574 HG12 VAL 76 HG12 VAL 76 1.915 -11.282 -5.334 575 HG13 VAL 76 HG13 VAL 76 1.580 -10.521 -6.889 576 HG21 VAL 76 HG21 VAL 76 5.447 -10.471 -5.025 577 HG22 VAL 76 HG22 VAL 76 4.018 -11.165 -4.263 578 HG23 VAL 76 HG23 VAL 76 4.780 -12.008 -5.624 579 H ALA 77 H ALA 77 3.054 -11.070 -9.557 580 HA ALA 77 HA ALA 77 2.229 -8.594 -10.822 581 HB1 ALA 77 HB1 ALA 77 1.439 -11.477 -11.384 582 HB2 ALA 77 HB2 ALA 77 1.168 -10.086 -12.454 583 HB3 ALA 77 HB3 ALA 77 2.823 -10.616 -12.098 584 H LYS 78 H LYS 78 0.358 -7.567 -10.829 585 HA LYS 78 HA LYS 78 -1.968 -8.502 -9.191 586 HB2 LYS 78 HB2 LYS 78 -0.961 -5.644 -9.437 587 HB3 LYS 78 HB3 LYS 78 -2.225 -6.231 -8.365 588 HG2 LYS 78 HG2 LYS 78 0.746 -6.909 -8.131 589 HG3 LYS 78 HG3 LYS 78 -0.089 -5.622 -7.291 590 HD2 LYS 78 HD2 LYS 78 -1.508 -7.270 -6.101 591 HD3 LYS 78 HD3 LYS 78 -0.715 -8.601 -6.973 592 HE2 LYS 78 HE2 LYS 78 1.457 -7.998 -5.995 593 HE3 LYS 78 HE3 LYS 78 0.748 -6.587 -5.203 594 HZ1 LYS 78 HZ1 LYS 78 0.020 -9.401 -4.578 595 HZ2 LYS 78 HZ2 LYS 78 0.977 -8.415 -3.658 596 HZ3 LYS 78 HZ3 LYS 78 -0.623 -8.090 -3.868 597 H LYS 79 H LYS 79 -3.956 -7.967 -9.945 598 HA LYS 79 HA LYS 79 -4.408 -6.320 -12.344 599 HB2 LYS 79 HB2 LYS 79 -5.145 -8.044 -13.754 600 HB3 LYS 79 HB3 LYS 79 -3.665 -8.626 -13.085 601 HG2 LYS 79 HG2 LYS 79 -4.887 -10.015 -11.421 602 HG3 LYS 79 HG3 LYS 79 -6.428 -9.488 -12.111 603 HD2 LYS 79 HD2 LYS 79 -4.246 -10.924 -13.677 604 HD3 LYS 79 HD3 LYS 79 -5.628 -11.737 -12.929 605 HE2 LYS 79 HE2 LYS 79 -7.206 -10.606 -14.333 606 HE3 LYS 79 HE3 LYS 79 -5.996 -9.464 -14.920 607 HZ1 LYS 79 HZ1 LYS 79 -4.886 -11.189 -16.071 608 HZ2 LYS 79 HZ2 LYS 79 -5.911 -12.366 -15.504 609 HZ3 LYS 79 HZ3 LYS 79 -6.457 -11.191 -16.526 610 HA PRO 80 HA PRO 80 -8.295 -5.738 -10.240 611 HB2 PRO 80 HB2 PRO 80 -10.501 -6.444 -11.688 612 HB3 PRO 80 HB3 PRO 80 -9.470 -5.028 -12.070 613 HG2 PRO 80 HG2 PRO 80 -9.342 -7.805 -13.279 614 HG3 PRO 80 HG3 PRO 80 -9.380 -6.239 -14.145 615 HD2 PRO 80 HD2 PRO 80 -7.097 -7.560 -13.676 616 HD3 PRO 80 HD3 PRO 80 -7.126 -5.773 -13.585 617 H GLY 81 H GLY 81 -9.463 -6.696 -8.654 618 HA2 GLY 81 HA2 GLY 81 -10.328 -8.354 -7.282 619 HA3 GLY 81 HA3 GLY 81 -9.973 -9.589 -8.491 620 H SER 82 H SER 82 -7.234 -7.518 -7.764 621 HA SER 82 HA SER 82 -5.896 -9.837 -6.434 622 HB2 SER 82 HB2 SER 82 -4.819 -7.314 -7.735 623 HB3 SER 82 HB3 SER 82 -3.821 -8.404 -6.773 624 HG SER 82 HG SER 82 -4.214 -10.067 -8.138 625 H THR 83 H THR 83 -4.354 -9.357 -4.549 626 HA THR 83 HA THR 83 -5.489 -7.247 -2.773 627 HB THR 83 HB THR 83 -4.772 -8.638 -0.920 628 HG1 THR 83 HG1 THR 83 -3.309 -10.019 -1.344 629 HG21 THR 83 HG21 THR 83 -6.360 -10.515 -1.178 630 HG22 THR 83 HG22 THR 83 -7.071 -8.996 -1.743 631 HG23 THR 83 HG23 THR 83 -6.491 -10.201 -2.909 632 H VAL 84 H VAL 84 -4.097 -5.933 -1.611 633 HA VAL 84 HA VAL 84 -1.172 -6.135 -2.130 634 HB VAL 84 HB VAL 84 -1.093 -3.649 -2.480 635 HG11 VAL 84 HG11 VAL 84 -2.537 -5.251 -4.616 636 HG12 VAL 84 HG12 VAL 84 -1.649 -3.730 -4.860 637 HG13 VAL 84 HG13 VAL 84 -0.789 -5.182 -4.341 638 HG21 VAL 84 HG21 VAL 84 -3.363 -3.062 -1.654 639 HG22 VAL 84 HG22 VAL 84 -3.049 -2.466 -3.289 640 HG23 VAL 84 HG23 VAL 84 -4.075 -3.892 -3.057 641 H ILE 85 H ILE 85 0.165 -4.945 -0.796 642 HA ILE 85 HA ILE 85 -0.943 -4.105 1.822 643 HB ILE 85 HB ILE 85 1.458 -4.990 2.647 644 HG12 ILE 85 HG12 ILE 85 1.792 -7.323 1.906 645 HG13 ILE 85 HG13 ILE 85 0.612 -7.107 0.621 646 HG21 ILE 85 HG21 ILE 85 -1.100 -6.613 2.551 647 HG22 ILE 85 HG22 ILE 85 0.279 -6.889 3.645 648 HG23 ILE 85 HG23 ILE 85 -0.637 -5.392 3.768 649 HD11 ILE 85 HD11 ILE 85 2.114 -5.286 -0.328 650 HD12 ILE 85 HD12 ILE 85 3.295 -5.690 0.923 651 HD13 ILE 85 HD13 ILE 85 2.822 -6.905 -0.287 652 H ALA 86 H ALA 86 0.133 -2.633 3.056 653 HA ALA 86 HA ALA 86 0.926 -0.399 1.548 654 HB1 ALA 86 HB1 ALA 86 1.217 -0.852 4.542 655 HB2 ALA 86 HB2 ALA 86 1.151 0.714 3.704 656 HB3 ALA 86 HB3 ALA 86 -0.271 -0.342 3.725 657 H GLY 87 H GLY 87 2.814 0.733 1.352 658 HA2 GLY 87 HA2 GLY 87 5.078 1.246 1.424 659 HA3 GLY 87 HA3 GLY 87 5.383 -0.125 2.502 660 H SER 88 H SER 88 3.669 -1.387 -0.069 661 HA SER 88 HA SER 88 6.084 -2.299 -1.471 662 HB2 SER 88 HB2 SER 88 4.658 -3.720 -2.751 663 HB3 SER 88 HB3 SER 88 4.361 -3.935 -1.029 664 HG SER 88 HG SER 88 2.407 -2.894 -1.221 665 H ILE 89 H ILE 89 6.423 -2.013 -3.732 666 HA ILE 89 HA ILE 89 5.590 0.713 -4.643 667 HB ILE 89 HB ILE 89 8.013 -0.665 -5.742 668 HG12 ILE 89 HG12 ILE 89 8.399 -0.980 -3.363 669 HG13 ILE 89 HG13 ILE 89 9.505 0.169 -4.069 670 HG21 ILE 89 HG21 ILE 89 7.355 2.255 -5.147 671 HG22 ILE 89 HG22 ILE 89 8.841 1.656 -5.902 672 HG23 ILE 89 HG23 ILE 89 7.292 1.458 -6.730 673 HD11 ILE 89 HD11 ILE 89 8.384 2.045 -3.018 674 HD12 ILE 89 HD12 ILE 89 7.053 1.008 -2.455 675 HD13 ILE 89 HD13 ILE 89 8.683 0.798 -1.799 676 H ASN 90 H ASN 90 4.775 1.067 -6.681 677 HA ASN 90 HA ASN 90 3.851 -1.291 -8.182 678 HB2 ASN 90 HB2 ASN 90 2.322 0.588 -7.370 679 HB3 ASN 90 HB3 ASN 90 3.149 1.662 -8.498 680 HD21 ASN 90 HD22 ASN 90 1.660 1.971 -10.143 681 HD22 ASN 90 HD21 ASN 90 0.874 0.644 -10.984 682 H GLN 91 H GLN 91 4.155 -1.632 -10.445 683 HA GLN 91 HA GLN 91 5.642 0.307 -12.077 684 HB2 GLN 91 HB2 GLN 91 7.344 -0.960 -10.700 685 HB3 GLN 91 HB3 GLN 91 6.845 -2.441 -11.496 686 HG2 GLN 91 HG2 GLN 91 7.896 0.008 -12.989 687 HG3 GLN 91 HG3 GLN 91 8.953 -1.227 -12.317 688 HE21 GLN 91 HE22 GLN 91 6.994 -0.416 -15.026 689 HE22 GLN 91 HE21 GLN 91 7.119 -1.984 -15.832 690 H ASN 92 H ASN 92 4.420 0.352 -13.869 691 HA ASN 92 HA ASN 92 4.594 -0.868 -16.028 692 HB2 ASN 92 HB2 ASN 92 3.951 -3.133 -15.228 693 HB3 ASN 92 HB3 ASN 92 2.339 -2.506 -14.834 694 HD21 ASN 92 HD22 ASN 92 0.781 -2.414 -16.550 695 HD22 ASN 92 HD21 ASN 92 1.297 -2.692 -18.222 696 H GLY 93 H GLY 93 1.767 -0.052 -13.957 697 HA2 GLY 93 HA2 GLY 93 1.025 2.214 -15.645 698 HA3 GLY 93 HA3 GLY 93 -0.023 0.823 -15.884 699 H SER 94 H SER 94 -1.333 2.876 -15.171 700 HA SER 94 HA SER 94 -1.463 3.314 -12.309 701 HB2 SER 94 HB2 SER 94 -3.306 4.369 -14.473 702 HB3 SER 94 HB3 SER 94 -3.148 4.976 -12.815 703 HG SER 94 HG SER 94 -1.251 5.044 -14.936 704 H LEU 95 H LEU 95 -2.865 2.510 -10.835 705 HA LEU 95 HA LEU 95 -5.104 0.714 -11.714 706 HB2 LEU 95 HB2 LEU 95 -3.788 0.151 -9.124 707 HB3 LEU 95 HB3 LEU 95 -4.473 -0.952 -10.269 708 HG LEU 95 HG LEU 95 -1.720 0.331 -10.571 709 HD11 LEU 95 HD11 LEU 95 -1.958 -1.063 -8.508 710 HD12 LEU 95 HD12 LEU 95 -2.489 -2.426 -9.515 711 HD13 LEU 95 HD13 LEU 95 -0.852 -1.755 -9.682 712 HD21 LEU 95 HD21 LEU 95 -2.850 -0.586 -12.663 713 HD22 LEU 95 HD22 LEU 95 -1.356 -1.402 -12.208 714 HD23 LEU 95 HD23 LEU 95 -2.922 -2.158 -11.834 715 H LEU 96 H LEU 96 -6.731 0.299 -10.051 716 HA LEU 96 HA LEU 96 -7.035 2.505 -8.038 717 HB2 LEU 96 HB2 LEU 96 -9.131 1.162 -9.760 718 HB3 LEU 96 HB3 LEU 96 -9.544 2.081 -8.323 719 HG LEU 96 HG LEU 96 -7.879 3.323 -10.555 720 HD11 LEU 96 HD11 LEU 96 -9.994 2.606 -11.544 721 HD12 LEU 96 HD12 LEU 96 -10.903 3.389 -10.230 722 HD13 LEU 96 HD13 LEU 96 -9.943 4.363 -11.372 723 HD21 LEU 96 HD21 LEU 96 -7.957 4.459 -8.300 724 HD22 LEU 96 HD22 LEU 96 -8.677 5.406 -9.611 725 HD23 LEU 96 HD23 LEU 96 -9.718 4.557 -8.459 726 H ILE 97 H ILE 97 -7.037 1.947 -6.040 727 HA ILE 97 HA ILE 97 -7.615 -0.881 -5.256 728 HB ILE 97 HB ILE 97 -5.808 1.105 -3.828 729 HG12 ILE 97 HG12 ILE 97 -4.075 -0.756 -4.730 730 HG13 ILE 97 HG13 ILE 97 -5.233 -0.846 -6.052 731 HG21 ILE 97 HG21 ILE 97 -6.742 -0.711 -2.395 732 HG22 ILE 97 HG22 ILE 97 -6.095 -1.917 -3.532 733 HG23 ILE 97 HG23 ILE 97 -5.002 -0.863 -2.615 734 HD11 ILE 97 HD11 ILE 97 -4.907 1.634 -6.432 735 HD12 ILE 97 HD12 ILE 97 -3.744 1.640 -5.089 736 HD13 ILE 97 HD13 ILE 97 -3.426 0.699 -6.561 737 H CYS 98 H CYS 98 -9.180 -1.275 -3.817 738 HA CYS 98 HA CYS 98 -10.591 0.984 -2.498 739 HB2 CYS 98 HB2 CYS 98 -11.969 -0.724 -3.642 740 HB3 CYS 98 HB3 CYS 98 -11.287 -1.977 -2.595 741 HG CYS 98 HG CYS 98 -12.830 0.817 -1.613 742 H ALA 99 H ALA 99 -10.148 1.562 -0.505 743 HA ALA 99 HA ALA 99 -8.291 -0.013 1.165 744 HB1 ALA 99 HB1 ALA 99 -9.555 2.738 1.524 745 HB2 ALA 99 HB2 ALA 99 -8.332 2.003 2.585 746 HB3 ALA 99 HB3 ALA 99 -7.924 2.399 0.901 747 H THR 100 H THR 100 -9.310 -1.741 2.056 748 HA THR 100 HA THR 100 -11.867 -1.371 3.569 749 HB THR 100 HB THR 100 -11.745 -3.841 3.859 750 HG1 THR 100 HG1 THR 100 -9.532 -4.151 3.722 751 HG21 THR 100 HG21 THR 100 -11.371 -3.108 0.919 752 HG22 THR 100 HG22 THR 100 -12.248 -4.500 1.590 753 HG23 THR 100 HG23 THR 100 -12.875 -2.863 1.830 754 H HIS 101 H HIS 101 -8.573 -0.983 4.061 755 HA HIS 101 HA HIS 101 -8.841 -1.259 6.993 756 HB2 HIS 101 HB2 HIS 101 -6.415 -1.962 5.297 757 HB3 HIS 101 HB3 HIS 101 -6.562 -2.153 7.026 758 HD1 HIS 101 HD1 HIS 101 -6.712 -4.199 4.084 759 HD2 HIS 101 HD2 HIS 101 -8.732 -3.971 7.748 760 HE1 HIS 101 HE1 HIS 101 -7.991 -6.381 4.306 761 H VAL 102 H VAL 102 -8.091 0.455 8.094 762 HA VAL 102 HA VAL 102 -6.839 2.739 6.666 763 HB VAL 102 HB VAL 102 -8.812 2.892 8.269 764 HG11 VAL 102 HG11 VAL 102 -8.479 2.944 10.580 765 HG12 VAL 102 HG12 VAL 102 -7.687 1.455 10.069 766 HG13 VAL 102 HG13 VAL 102 -6.709 2.885 10.459 767 HG21 VAL 102 HG21 VAL 102 -7.525 4.837 7.439 768 HG22 VAL 102 HG22 VAL 102 -8.208 5.053 9.051 769 HG23 VAL 102 HG23 VAL 102 -6.481 4.734 8.882 770 H GLY 103 H GLY 103 -4.912 3.883 8.157 771 HA2 GLY 103 HA2 GLY 103 -2.746 2.150 7.637 772 HA3 GLY 103 HA3 GLY 103 -2.684 3.668 8.514 773 H ALA 104 H ALA 104 -4.368 2.880 10.784 774 HA ALA 104 HA ALA 104 -2.461 1.552 12.433 775 HB1 ALA 104 HB1 ALA 104 -5.454 1.994 12.833 776 HB2 ALA 104 HB2 ALA 104 -4.287 1.560 14.099 777 HB3 ALA 104 HB3 ALA 104 -4.148 3.122 13.276 778 H ASP 105 H ASP 105 -5.074 0.238 10.473 779 HA ASP 105 HA ASP 105 -4.940 -2.473 11.589 780 HB2 ASP 105 HB2 ASP 105 -7.008 -1.344 10.668 781 HB3 ASP 105 HB3 ASP 105 -6.352 -1.680 9.075 782 H THR 106 H THR 106 -2.768 -0.769 9.648 783 HA THR 106 HA THR 106 -2.080 -3.075 7.940 784 HB THR 106 HB THR 106 -0.316 -1.821 6.987 785 HG1 THR 106 HG1 THR 106 -1.040 0.240 8.769 786 HG21 THR 106 HG21 THR 106 -2.536 -1.479 6.020 787 HG22 THR 106 HG22 THR 106 -2.848 -0.140 7.139 788 HG23 THR 106 HG23 THR 106 -1.557 0.002 5.926 789 H THR 107 H THR 107 -0.261 -4.333 8.055 790 HA THR 107 HA THR 107 0.579 -4.942 10.714 791 HB THR 107 HB THR 107 0.281 -6.581 8.923 792 HG1 THR 107 HG1 THR 107 1.533 -7.235 10.640 793 HG21 THR 107 HG21 THR 107 2.961 -5.643 7.823 794 HG22 THR 107 HG22 THR 107 1.983 -7.009 7.256 795 HG23 THR 107 HG23 THR 107 1.384 -5.365 7.037 796 H LEU 108 H LEU 108 2.115 -2.720 8.462 797 HA LEU 108 HA LEU 108 4.779 -3.183 9.091 798 HB2 LEU 108 HB2 LEU 108 3.394 -0.659 8.140 799 HB3 LEU 108 HB3 LEU 108 5.132 -0.758 8.381 800 HG LEU 108 HG LEU 108 5.281 -2.622 6.734 801 HD11 LEU 108 HD11 LEU 108 2.338 -1.992 6.287 802 HD12 LEU 108 HD12 LEU 108 3.372 -2.819 5.104 803 HD13 LEU 108 HD13 LEU 108 3.082 -3.575 6.662 804 HD21 LEU 108 HD21 LEU 108 5.704 -0.283 6.162 805 HD22 LEU 108 HD22 LEU 108 4.989 -1.151 4.795 806 HD23 LEU 108 HD23 LEU 108 3.976 -0.058 5.770 807 H SER 109 H SER 109 2.878 -0.537 10.673 808 HA SER 109 HA SER 109 5.110 -0.037 12.536 809 HB2 SER 109 HB2 SER 109 2.305 1.120 12.544 810 HB3 SER 109 HB3 SER 109 3.563 1.495 13.718 811 HG SER 109 HG SER 109 3.668 3.036 12.197 812 H GLN 110 H GLN 110 2.560 -2.284 12.423 813 HA GLN 110 HA GLN 110 2.388 -2.796 15.297 814 HB2 GLN 110 HB2 GLN 110 0.562 -3.278 13.649 815 HB3 GLN 110 HB3 GLN 110 1.537 -4.549 12.965 816 HG2 GLN 110 HG2 GLN 110 0.039 -5.653 14.347 817 HG3 GLN 110 HG3 GLN 110 1.562 -5.682 15.241 818 HE21 GLN 110 HE22 GLN 110 -1.545 -3.791 14.929 819 HE22 GLN 110 HE21 GLN 110 -1.360 -3.100 16.523 820 H ILE 111 H ILE 111 4.195 -4.255 12.564 821 HA ILE 111 HA ILE 111 5.379 -6.431 13.886 822 HB ILE 111 HB ILE 111 6.313 -4.725 11.558 823 HG12 ILE 111 HG12 ILE 111 5.369 -7.625 11.554 824 HG13 ILE 111 HG13 ILE 111 4.237 -6.289 11.465 825 HG21 ILE 111 HG21 ILE 111 7.616 -7.298 12.558 826 HG22 ILE 111 HG22 ILE 111 7.955 -6.536 10.995 827 HG23 ILE 111 HG23 ILE 111 8.381 -5.693 12.468 828 HD11 ILE 111 HD11 ILE 111 6.436 -6.866 9.433 829 HD12 ILE 111 HD12 ILE 111 4.701 -7.085 9.221 830 HD13 ILE 111 HD13 ILE 111 5.356 -5.452 9.404 831 H VAL 112 H VAL 112 6.778 -3.092 13.656 832 HA VAL 112 HA VAL 112 9.229 -3.796 14.828 833 HB VAL 112 HB VAL 112 9.577 -1.403 15.241 834 HG11 VAL 112 HG11 VAL 112 8.281 -1.935 12.539 835 HG12 VAL 112 HG12 VAL 112 9.498 -0.702 12.928 836 HG13 VAL 112 HG13 VAL 112 9.937 -2.408 12.996 837 HG21 VAL 112 HG21 VAL 112 7.269 -0.725 15.908 838 HG22 VAL 112 HG22 VAL 112 7.953 0.277 14.628 839 HG23 VAL 112 HG23 VAL 112 6.743 -0.955 14.224 840 H LYS 113 H LYS 113 6.268 -3.519 16.510 841 HA LYS 113 HA LYS 113 7.444 -2.879 19.143 842 HB2 LYS 113 HB2 LYS 113 4.708 -3.922 18.417 843 HB3 LYS 113 HB3 LYS 113 5.214 -3.307 20.002 844 HG2 LYS 113 HG2 LYS 113 5.743 -1.086 18.961 845 HG3 LYS 113 HG3 LYS 113 5.094 -1.671 17.423 846 HD2 LYS 113 HD2 LYS 113 3.570 -1.333 20.021 847 HD3 LYS 113 HD3 LYS 113 3.412 -0.368 18.535 848 HE2 LYS 113 HE2 LYS 113 2.847 -2.559 17.340 849 HE3 LYS 113 HE3 LYS 113 2.723 -3.302 18.940 850 HZ1 LYS 113 HZ1 LYS 113 0.578 -2.567 18.137 851 HZ2 LYS 113 HZ2 LYS 113 0.975 -1.669 19.463 852 HZ3 LYS 113 HZ3 LYS 113 1.089 -1.052 17.913 853 H LEU 114 H LEU 114 6.852 -5.701 17.186 854 HA LEU 114 HA LEU 114 7.229 -7.691 19.322 855 HB2 LEU 114 HB2 LEU 114 5.729 -7.777 17.106 856 HB3 LEU 114 HB3 LEU 114 7.249 -8.272 16.359 857 HG LEU 114 HG LEU 114 5.752 -9.675 18.590 858 HD11 LEU 114 HD11 LEU 114 6.443 -10.504 15.732 859 HD12 LEU 114 HD12 LEU 114 5.494 -11.436 16.907 860 HD13 LEU 114 HD13 LEU 114 4.856 -9.915 16.270 861 HD21 LEU 114 HD21 LEU 114 8.082 -10.008 19.044 862 HD22 LEU 114 HD22 LEU 114 7.486 -11.477 18.265 863 HD23 LEU 114 HD23 LEU 114 8.434 -10.301 17.313 864 H VAL 115 H VAL 115 8.898 -6.728 16.281 865 HA VAL 115 HA VAL 115 11.151 -8.352 16.678 866 HB VAL 115 HB VAL 115 10.871 -5.825 15.010 867 HG11 VAL 115 HG11 VAL 115 12.946 -8.057 14.787 868 HG12 VAL 115 HG12 VAL 115 12.691 -6.754 13.599 869 HG13 VAL 115 HG13 VAL 115 13.278 -6.367 15.211 870 HG21 VAL 115 HG21 VAL 115 10.557 -8.776 14.294 871 HG22 VAL 115 HG22 VAL 115 9.239 -7.598 14.430 872 HG23 VAL 115 HG23 VAL 115 10.447 -7.414 13.159 873 H GLU 116 H GLU 116 10.598 -5.163 18.041 874 HA GLU 116 HA GLU 116 13.317 -4.545 18.791 875 HB2 GLU 116 HB2 GLU 116 11.360 -2.981 18.668 876 HB3 GLU 116 HB3 GLU 116 10.633 -3.826 20.031 877 HG2 GLU 116 HG2 GLU 116 13.127 -3.067 21.040 878 HG3 GLU 116 HG3 GLU 116 12.767 -1.768 19.919 879 H GLU 117 H GLU 117 10.937 -6.869 20.165 880 HA GLU 117 HA GLU 117 12.253 -7.032 22.794 881 HB2 GLU 117 HB2 GLU 117 10.084 -8.700 21.481 882 HB3 GLU 117 HB3 GLU 117 10.592 -8.803 23.154 883 HG2 GLU 117 HG2 GLU 117 9.540 -6.145 22.156 884 HG3 GLU 117 HG3 GLU 117 8.421 -7.476 22.379 885 H ALA 118 H ALA 118 12.828 -8.188 19.621 886 HA ALA 118 HA ALA 118 13.284 -11.010 20.279 887 HB1 ALA 118 HB1 ALA 118 13.654 -9.550 17.635 888 HB2 ALA 118 HB2 ALA 118 13.564 -11.291 17.897 889 HB3 ALA 118 HB3 ALA 118 12.130 -10.292 18.179 890 H GLN 119 H GLN 119 15.239 -8.121 19.897 891 HA GLN 119 HA GLN 119 17.794 -9.533 19.549 892 HB2 GLN 119 HB2 GLN 119 17.049 -6.603 19.902 893 HB3 GLN 119 HB3 GLN 119 18.678 -7.195 19.927 894 HG2 GLN 119 HG2 GLN 119 18.675 -6.603 17.774 895 HG3 GLN 119 HG3 GLN 119 18.123 -8.270 17.593 896 HE21 GLN 119 HE22 GLN 119 15.993 -8.643 16.951 897 HE22 GLN 119 HE21 GLN 119 14.797 -7.366 17.155 Start of MODEL 7 1 H SER 1 H SER 1 19.901 -4.296 13.540 2 HA SER 1 HA SER 1 17.203 -3.646 14.579 3 HB2 SER 1 HB2 SER 1 20.032 -3.170 15.532 4 HB3 SER 1 HB3 SER 1 18.693 -2.203 16.170 5 HG SER 1 HG SER 1 18.996 -5.030 16.298 6 H GLU 2 H GLU 2 19.794 -1.987 12.775 7 HA GLU 2 HA GLU 2 18.409 0.569 12.676 8 HB2 GLU 2 HB2 GLU 2 20.889 0.115 12.359 9 HB3 GLU 2 HB3 GLU 2 20.505 -0.533 10.761 10 HG2 GLU 2 HG2 GLU 2 19.594 1.663 10.088 11 HG3 GLU 2 HG3 GLU 2 19.847 2.287 11.725 12 H ALA 3 H ALA 3 18.479 -2.316 10.531 13 HA ALA 3 HA ALA 3 16.637 -1.322 8.598 14 HB1 ALA 3 HB1 ALA 3 17.166 -4.209 9.391 15 HB2 ALA 3 HB2 ALA 3 16.581 -3.606 7.833 16 HB3 ALA 3 HB3 ALA 3 18.235 -3.247 8.339 17 H LEU 4 H LEU 4 16.053 -2.560 11.833 18 HA LEU 4 HA LEU 4 13.250 -3.230 11.537 19 HB2 LEU 4 HB2 LEU 4 14.811 -3.880 13.432 20 HB3 LEU 4 HB3 LEU 4 14.759 -2.209 13.964 21 HG LEU 4 HG LEU 4 12.290 -2.418 14.336 22 HD11 LEU 4 HD11 LEU 4 12.921 -5.336 13.793 23 HD12 LEU 4 HD12 LEU 4 11.442 -4.755 14.599 24 HD13 LEU 4 HD13 LEU 4 11.768 -4.316 12.905 25 HD21 LEU 4 HD21 LEU 4 13.967 -2.685 16.167 26 HD22 LEU 4 HD22 LEU 4 12.545 -3.701 16.417 27 HD23 LEU 4 HD23 LEU 4 14.061 -4.423 15.818 28 H ALA 5 H ALA 5 14.982 -0.118 11.811 29 HA ALA 5 HA ALA 5 12.571 1.438 12.372 30 HB1 ALA 5 HB1 ALA 5 15.367 2.263 11.477 31 HB2 ALA 5 HB2 ALA 5 14.089 3.338 12.058 32 HB3 ALA 5 HB3 ALA 5 14.804 2.147 13.160 33 H LYS 6 H LYS 6 13.976 -0.028 9.554 34 HA LYS 6 HA LYS 6 13.196 1.935 7.592 35 HB2 LYS 6 HB2 LYS 6 14.935 0.100 7.353 36 HB3 LYS 6 HB3 LYS 6 13.597 -1.042 7.128 37 HG2 LYS 6 HG2 LYS 6 12.903 0.041 5.088 38 HG3 LYS 6 HG3 LYS 6 13.954 1.433 5.397 39 HD2 LYS 6 HD2 LYS 6 14.951 0.008 3.687 40 HD3 LYS 6 HD3 LYS 6 15.955 0.027 5.138 41 HE2 LYS 6 HE2 LYS 6 14.913 -2.170 5.808 42 HE3 LYS 6 HE3 LYS 6 14.034 -2.178 4.268 43 HZ1 LYS 6 HZ1 LYS 6 16.157 -3.432 4.285 44 HZ2 LYS 6 HZ2 LYS 6 16.134 -2.276 3.103 45 HZ3 LYS 6 HZ3 LYS 6 16.994 -2.033 4.475 46 H LEU 7 H LEU 7 11.409 -0.672 9.138 47 HA LEU 7 HA LEU 7 9.131 -0.742 7.406 48 HB2 LEU 7 HB2 LEU 7 9.573 -1.266 10.357 49 HB3 LEU 7 HB3 LEU 7 7.970 -1.371 9.658 50 HG LEU 7 HG LEU 7 8.995 -3.557 9.932 51 HD11 LEU 7 HD11 LEU 7 7.345 -3.233 8.139 52 HD12 LEU 7 HD12 LEU 7 8.651 -2.873 6.985 53 HD13 LEU 7 HD13 LEU 7 8.533 -4.477 7.727 54 HD21 LEU 7 HD21 LEU 7 11.375 -2.953 9.532 55 HD22 LEU 7 HD22 LEU 7 10.836 -4.356 8.596 56 HD23 LEU 7 HD23 LEU 7 11.012 -2.790 7.792 57 H ILE 8 H ILE 8 9.942 1.467 10.118 58 HA ILE 8 HA ILE 8 7.465 2.943 9.972 59 HB ILE 8 HB ILE 8 10.156 3.769 11.088 60 HG12 ILE 8 HG12 ILE 8 9.253 1.737 12.167 61 HG13 ILE 8 HG13 ILE 8 9.381 3.111 13.252 62 HG21 ILE 8 HG21 ILE 8 7.403 5.019 11.389 63 HG22 ILE 8 HG22 ILE 8 8.785 5.388 12.444 64 HG23 ILE 8 HG23 ILE 8 8.861 5.761 10.725 65 HD11 ILE 8 HD11 ILE 8 6.803 2.073 11.992 66 HD12 ILE 8 HD12 ILE 8 7.330 1.860 13.668 67 HD13 ILE 8 HD13 ILE 8 6.932 3.470 13.099 68 H SER 9 H SER 9 10.673 3.358 8.421 69 HA SER 9 HA SER 9 10.107 5.898 7.152 70 HB2 SER 9 HB2 SER 9 12.081 3.704 6.406 71 HB3 SER 9 HB3 SER 9 12.119 5.381 5.832 72 HG SER 9 HG SER 9 13.481 4.695 7.689 73 H LEU 10 H LEU 10 9.304 2.580 6.365 74 HA LEU 10 HA LEU 10 8.777 2.975 3.548 75 HB2 LEU 10 HB2 LEU 10 8.475 0.783 5.590 76 HB3 LEU 10 HB3 LEU 10 7.509 0.671 4.132 77 HG LEU 10 HG LEU 10 10.511 1.140 3.969 78 HD11 LEU 10 HD11 LEU 10 9.039 -1.532 3.998 79 HD12 LEU 10 HD12 LEU 10 10.760 -1.277 3.631 80 HD13 LEU 10 HD13 LEU 10 10.150 -0.937 5.257 81 HD21 LEU 10 HD21 LEU 10 9.138 1.542 1.919 82 HD22 LEU 10 HD22 LEU 10 10.165 0.115 1.735 83 HD23 LEU 10 HD23 LEU 10 8.436 -0.080 2.094 84 H GLN 11 H GLN 11 6.894 3.513 6.487 85 HA GLN 11 HA GLN 11 4.280 3.206 5.291 86 HB2 GLN 11 HB2 GLN 11 5.231 4.690 7.778 87 HB3 GLN 11 HB3 GLN 11 3.544 4.567 7.278 88 HG2 GLN 11 HG2 GLN 11 3.611 2.130 7.438 89 HG3 GLN 11 HG3 GLN 11 5.314 2.165 7.902 90 HE21 GLN 11 HE22 GLN 11 2.038 3.149 8.914 91 HE22 GLN 11 HE21 GLN 11 2.415 3.200 10.632 92 H ALA 12 H ALA 12 2.907 4.708 4.442 93 HA ALA 12 HA ALA 12 4.262 6.844 2.959 94 HB1 ALA 12 HB1 ALA 12 1.415 5.803 2.823 95 HB2 ALA 12 HB2 ALA 12 2.206 6.857 1.629 96 HB3 ALA 12 HB3 ALA 12 2.790 5.198 1.858 97 H THR 13 H THR 13 3.259 8.892 2.565 98 HA THR 13 HA THR 13 2.244 10.180 5.069 99 HB THR 13 HB THR 13 4.003 11.363 2.895 100 HG1 THR 13 HG1 THR 13 5.683 10.628 3.939 101 HG21 THR 13 HG21 THR 13 3.458 12.204 5.779 102 HG22 THR 13 HG22 THR 13 4.667 12.938 4.702 103 HG23 THR 13 HG23 THR 13 2.947 13.070 4.310 104 H GLU 14 H GLU 14 1.751 10.023 1.545 105 HA GLU 14 HA GLU 14 -0.812 11.469 1.890 106 HB2 GLU 14 HB2 GLU 14 -0.437 12.841 -0.081 107 HB3 GLU 14 HB3 GLU 14 0.812 13.139 1.131 108 HG2 GLU 14 HG2 GLU 14 2.320 11.553 -0.158 109 HG3 GLU 14 HG3 GLU 14 1.089 11.484 -1.414 110 H ALA 15 H ALA 15 -2.457 10.978 0.314 111 HA ALA 15 HA ALA 15 -1.993 8.588 -1.410 112 HB1 ALA 15 HB1 ALA 15 -3.952 7.477 -0.414 113 HB2 ALA 15 HB2 ALA 15 -2.697 7.757 0.811 114 HB3 ALA 15 HB3 ALA 15 -4.132 8.806 0.750 115 H THR 16 H THR 16 -3.364 8.406 -3.175 116 HA THR 16 HA THR 16 -4.797 10.888 -3.914 117 HB THR 16 HB THR 16 -4.216 8.587 -5.785 118 HG1 THR 16 HG1 THR 16 -2.313 9.101 -4.868 119 HG21 THR 16 HG21 THR 16 -5.699 10.377 -6.616 120 HG22 THR 16 HG22 THR 16 -4.487 11.601 -6.174 121 HG23 THR 16 HG23 THR 16 -4.135 10.408 -7.447 122 H ILE 17 H ILE 17 -6.885 10.909 -3.242 123 HA ILE 17 HA ILE 17 -8.621 8.524 -3.431 124 HB ILE 17 HB ILE 17 -9.345 11.420 -2.794 125 HG12 ILE 17 HG12 ILE 17 -8.700 9.120 -0.935 126 HG13 ILE 17 HG13 ILE 17 -7.770 10.601 -1.123 127 HG21 ILE 17 HG21 ILE 17 -11.442 10.460 -1.905 128 HG22 ILE 17 HG22 ILE 17 -11.269 10.035 -3.580 129 HG23 ILE 17 HG23 ILE 17 -10.897 8.821 -2.335 130 HD11 ILE 17 HD11 ILE 17 -10.540 10.360 0.114 131 HD12 ILE 17 HD12 ILE 17 -9.027 10.718 0.929 132 HD13 ILE 17 HD13 ILE 17 -9.705 11.902 -0.212 133 H VAL 18 H VAL 18 -10.054 8.109 -5.065 134 HA VAL 18 HA VAL 18 -10.400 10.224 -7.156 135 HB VAL 18 HB VAL 18 -10.882 8.485 -8.820 136 HG11 VAL 18 HG11 VAL 18 -8.762 9.745 -8.614 137 HG12 VAL 18 HG12 VAL 18 -8.079 8.436 -7.641 138 HG13 VAL 18 HG13 VAL 18 -8.552 8.148 -9.339 139 HG21 VAL 18 HG21 VAL 18 -11.227 6.505 -7.316 140 HG22 VAL 18 HG22 VAL 18 -9.984 6.235 -8.550 141 HG23 VAL 18 HG23 VAL 18 -9.508 6.577 -6.876 142 H THR 19 H THR 19 -12.191 11.040 -7.495 143 HA THR 19 HA THR 19 -14.731 9.887 -6.375 144 HB THR 19 HB THR 19 -13.489 12.602 -5.815 145 HG1 THR 19 HG1 THR 19 -13.283 11.825 -3.814 146 HG21 THR 19 HG21 THR 19 -15.413 12.902 -4.261 147 HG22 THR 19 HG22 THR 19 -15.944 12.865 -5.946 148 HG23 THR 19 HG23 THR 19 -16.146 11.422 -4.919 149 H LEU 20 H LEU 20 -16.559 10.424 -7.403 150 HA LEU 20 HA LEU 20 -16.372 11.953 -9.964 151 HB2 LEU 20 HB2 LEU 20 -18.630 10.200 -8.910 152 HB3 LEU 20 HB3 LEU 20 -18.643 11.108 -10.396 153 HG LEU 20 HG LEU 20 -18.279 8.846 -10.934 154 HD11 LEU 20 HD11 LEU 20 -15.521 9.991 -11.189 155 HD12 LEU 20 HD12 LEU 20 -16.391 8.976 -12.333 156 HD13 LEU 20 HD13 LEU 20 -16.868 10.683 -12.115 157 HD21 LEU 20 HD21 LEU 20 -17.210 8.058 -8.792 158 HD22 LEU 20 HD22 LEU 20 -16.415 7.489 -10.275 159 HD23 LEU 20 HD23 LEU 20 -15.684 8.793 -9.343 160 H ASP 21 H ASP 21 -16.637 14.071 -9.729 161 HA ASP 21 HA ASP 21 -18.535 15.060 -7.678 162 HB2 ASP 21 HB2 ASP 21 -16.013 15.912 -8.292 163 HB3 ASP 21 HB3 ASP 21 -16.977 17.034 -9.233 164 H SER 22 H SER 22 -18.785 14.157 -10.636 165 HA SER 22 HA SER 22 -21.463 14.953 -10.937 166 HB2 SER 22 HB2 SER 22 -19.716 16.153 -13.100 167 HB3 SER 22 HB3 SER 22 -21.447 15.892 -13.233 168 HG SER 22 HG SER 22 -21.527 17.149 -11.151 169 H ASP 23 H ASP 23 -22.530 13.693 -12.194 170 HA ASP 23 HA ASP 23 -22.623 11.232 -12.322 171 HB2 ASP 23 HB2 ASP 23 -24.257 12.824 -13.355 172 HB3 ASP 23 HB3 ASP 23 -23.407 12.658 -14.893 173 H ASN 24 H ASN 24 -20.164 10.865 -12.476 174 HA ASN 24 HA ASN 24 -18.421 9.623 -13.234 175 HB2 ASN 24 HB2 ASN 24 -19.846 7.820 -13.939 176 HB3 ASN 24 HB3 ASN 24 -20.153 8.618 -15.485 177 HD21 ASN 24 HD22 ASN 24 -17.577 6.977 -13.711 178 HD22 ASN 24 HD21 ASN 24 -16.686 6.851 -15.249 179 H ILE 25 H ILE 25 -19.982 11.784 -15.464 180 HA ILE 25 HA ILE 25 -17.949 12.431 -17.253 181 HB ILE 25 HB ILE 25 -19.282 14.575 -17.441 182 HG12 ILE 25 HG12 ILE 25 -21.114 13.405 -15.364 183 HG13 ILE 25 HG13 ILE 25 -19.973 14.719 -15.065 184 HG21 ILE 25 HG21 ILE 25 -21.200 13.408 -18.442 185 HG22 ILE 25 HG22 ILE 25 -19.722 12.487 -18.734 186 HG23 ILE 25 HG23 ILE 25 -20.849 11.958 -17.479 187 HD11 ILE 25 HD11 ILE 25 -21.104 16.071 -16.840 188 HD12 ILE 25 HD12 ILE 25 -22.324 14.782 -16.994 189 HD13 ILE 25 HD13 ILE 25 -22.151 15.664 -15.470 190 H LEU 26 H LEU 26 -17.909 13.160 -13.893 191 HA LEU 26 HA LEU 26 -15.590 14.973 -14.325 192 HB2 LEU 26 HB2 LEU 26 -17.589 16.288 -13.828 193 HB3 LEU 26 HB3 LEU 26 -17.830 15.344 -12.366 194 HG LEU 26 HG LEU 26 -15.874 16.333 -11.309 195 HD11 LEU 26 HD11 LEU 26 -15.520 17.696 -13.995 196 HD12 LEU 26 HD12 LEU 26 -14.657 18.148 -12.503 197 HD13 LEU 26 HD13 LEU 26 -14.393 16.550 -13.211 198 HD21 LEU 26 HD21 LEU 26 -18.032 17.612 -11.279 199 HD22 LEU 26 HD22 LEU 26 -16.585 18.635 -11.175 200 HD23 LEU 26 HD23 LEU 26 -17.482 18.507 -12.708 201 H LEU 27 H LEU 27 -15.124 12.543 -14.212 202 HA LEU 27 HA LEU 27 -14.314 11.494 -11.640 203 HB2 LEU 27 HB2 LEU 27 -14.609 10.230 -13.825 204 HB3 LEU 27 HB3 LEU 27 -13.087 10.905 -14.378 205 HG LEU 27 HG LEU 27 -13.268 9.350 -11.760 206 HD11 LEU 27 HD11 LEU 27 -14.304 7.947 -13.487 207 HD12 LEU 27 HD12 LEU 27 -12.916 8.213 -14.558 208 HD13 LEU 27 HD13 LEU 27 -12.715 7.306 -13.039 209 HD21 LEU 27 HD21 LEU 27 -11.117 10.491 -12.170 210 HD22 LEU 27 HD22 LEU 27 -10.924 8.743 -12.316 211 HD23 LEU 27 HD23 LEU 27 -11.015 9.742 -13.780 212 H SER 28 H SER 28 -12.927 12.261 -10.291 213 HA SER 28 HA SER 28 -10.790 14.123 -11.203 214 HB2 SER 28 HB2 SER 28 -11.557 15.779 -9.615 215 HB3 SER 28 HB3 SER 28 -12.904 15.333 -10.653 216 HG SER 28 HG SER 28 -13.457 13.774 -8.897 217 H GLU 29 H GLU 29 -9.056 14.412 -9.692 218 HA GLU 29 HA GLU 29 -8.803 12.182 -7.712 219 HB2 GLU 29 HB2 GLU 29 -6.587 13.509 -9.299 220 HB3 GLU 29 HB3 GLU 29 -6.441 12.167 -8.167 221 HG2 GLU 29 HG2 GLU 29 -6.729 10.688 -9.791 222 HG3 GLU 29 HG3 GLU 29 -8.324 11.331 -10.156 223 H GLU 30 H GLU 30 -7.889 12.607 -5.737 224 HA GLU 30 HA GLU 30 -6.921 15.376 -5.121 225 HB2 GLU 30 HB2 GLU 30 -8.632 13.833 -3.143 226 HB3 GLU 30 HB3 GLU 30 -8.155 15.522 -3.147 227 HG2 GLU 30 HG2 GLU 30 -9.632 15.630 -5.340 228 HG3 GLU 30 HG3 GLU 30 -10.293 14.095 -4.728 229 H GLN 31 H GLN 31 -4.716 15.091 -4.550 230 HA GLN 31 HA GLN 31 -3.967 12.754 -2.933 231 HB2 GLN 31 HB2 GLN 31 -2.417 15.178 -3.895 232 HB3 GLN 31 HB3 GLN 31 -1.763 13.981 -2.761 233 HG2 GLN 31 HG2 GLN 31 -2.283 12.181 -4.408 234 HG3 GLN 31 HG3 GLN 31 -2.610 13.441 -5.630 235 HE21 GLN 31 HE22 GLN 31 -0.315 11.595 -3.918 236 HE22 GLN 31 HE21 GLN 31 0.648 12.914 -3.561 237 H VAL 32 H VAL 32 -4.417 12.635 -0.851 238 HA VAL 32 HA VAL 32 -4.678 15.130 0.784 239 HB VAL 32 HB VAL 32 -6.291 14.056 2.165 240 HG11 VAL 32 HG11 VAL 32 -7.131 13.630 -0.729 241 HG12 VAL 32 HG12 VAL 32 -8.188 13.897 0.667 242 HG13 VAL 32 HG13 VAL 32 -7.113 15.196 0.115 243 HG21 VAL 32 HG21 VAL 32 -5.527 11.700 2.047 244 HG22 VAL 32 HG22 VAL 32 -7.252 11.866 1.738 245 HG23 VAL 32 HG23 VAL 32 -6.134 11.594 0.380 246 H ASP 33 H ASP 33 -4.267 14.767 3.148 247 HA ASP 33 HA ASP 33 -1.718 13.363 3.530 248 HB2 ASP 33 HB2 ASP 33 -3.546 15.013 5.320 249 HB3 ASP 33 HB3 ASP 33 -2.084 14.238 5.906 250 H VAL 34 H VAL 34 -1.388 11.484 4.646 251 HA VAL 34 HA VAL 34 -3.367 9.537 4.456 252 HB VAL 34 HB VAL 34 -0.933 9.159 4.455 253 HG11 VAL 34 HG11 VAL 34 -0.275 10.388 6.476 254 HG12 VAL 34 HG12 VAL 34 -1.144 9.218 7.495 255 HG13 VAL 34 HG13 VAL 34 0.262 8.708 6.548 256 HG21 VAL 34 HG21 VAL 34 -2.533 7.269 4.566 257 HG22 VAL 34 HG22 VAL 34 -0.984 6.917 5.346 258 HG23 VAL 34 HG23 VAL 34 -2.407 7.284 6.337 259 H GLU 35 H GLU 35 -2.894 11.587 7.255 260 HA GLU 35 HA GLU 35 -4.485 10.195 9.176 261 HB2 GLU 35 HB2 GLU 35 -3.044 12.079 9.677 262 HB3 GLU 35 HB3 GLU 35 -3.968 13.155 8.628 263 HG2 GLU 35 HG2 GLU 35 -5.844 13.165 10.130 264 HG3 GLU 35 HG3 GLU 35 -5.178 11.844 11.082 265 H LEU 36 H LEU 36 -5.426 11.928 6.268 266 HA LEU 36 HA LEU 36 -8.197 12.386 7.160 267 HB2 LEU 36 HB2 LEU 36 -6.792 13.345 4.647 268 HB3 LEU 36 HB3 LEU 36 -8.253 13.987 5.375 269 HG LEU 36 HG LEU 36 -5.438 14.213 6.521 270 HD11 LEU 36 HD11 LEU 36 -7.293 16.329 5.364 271 HD12 LEU 36 HD12 LEU 36 -5.657 16.575 5.998 272 HD13 LEU 36 HD13 LEU 36 -5.894 15.622 4.525 273 HD21 LEU 36 HD21 LEU 36 -8.045 15.414 7.531 274 HD22 LEU 36 HD22 LEU 36 -7.111 14.133 8.338 275 HD23 LEU 36 HD23 LEU 36 -6.414 15.749 8.160 276 H VAL 37 H VAL 37 -6.693 9.966 5.312 277 HA VAL 37 HA VAL 37 -9.071 9.547 3.573 278 HB VAL 37 HB VAL 37 -6.941 9.343 2.494 279 HG11 VAL 37 HG11 VAL 37 -5.392 7.487 2.936 280 HG12 VAL 37 HG12 VAL 37 -5.512 8.553 4.335 281 HG13 VAL 37 HG13 VAL 37 -6.354 6.989 4.341 282 HG21 VAL 37 HG21 VAL 37 -8.828 7.971 1.691 283 HG22 VAL 37 HG22 VAL 37 -7.244 7.243 1.374 284 HG23 VAL 37 HG23 VAL 37 -8.254 6.610 2.683 285 H GLN 38 H GLN 38 -10.423 7.814 3.682 286 HA GLN 38 HA GLN 38 -10.587 6.440 6.336 287 HB2 GLN 38 HB2 GLN 38 -12.797 7.499 4.514 288 HB3 GLN 38 HB3 GLN 38 -13.038 6.625 6.013 289 HG2 GLN 38 HG2 GLN 38 -12.069 8.433 7.314 290 HG3 GLN 38 HG3 GLN 38 -11.521 9.235 5.841 291 HE21 GLN 38 HE22 GLN 38 -14.469 8.173 7.452 292 HE22 GLN 38 HE21 GLN 38 -15.490 9.238 6.519 293 H ARG 39 H ARG 39 -11.614 4.443 6.470 294 HA ARG 39 HA ARG 39 -10.844 2.673 4.301 295 HB2 ARG 39 HB2 ARG 39 -11.218 0.857 5.719 296 HB3 ARG 39 HB3 ARG 39 -10.408 2.131 6.617 297 HG2 ARG 39 HG2 ARG 39 -12.571 2.690 7.705 298 HG3 ARG 39 HG3 ARG 39 -13.385 1.384 6.818 299 HD2 ARG 39 HD2 ARG 39 -11.933 -0.289 7.820 300 HD3 ARG 39 HD3 ARG 39 -10.904 0.989 8.471 301 HE ARG 39 HE ARG 39 -12.325 1.309 10.262 302 HH11 ARG 39 HH11 ARG 39 -13.972 -0.950 8.080 303 HH12 ARG 39 HH12 ARG 39 -15.040 -1.478 9.358 304 HH21 ARG 39 HH21 ARG 39 -13.520 0.329 11.843 305 HH22 ARG 39 HH22 ARG 39 -14.709 -0.859 11.423 306 H GLY 40 H GLY 40 -13.112 4.313 3.686 307 HA2 GLY 40 HA2 GLY 40 -15.015 2.205 2.683 308 HA3 GLY 40 HA3 GLY 40 -15.519 3.832 3.130 309 H ASP 41 H ASP 41 -12.514 3.956 1.450 310 HA ASP 41 HA ASP 41 -13.968 4.776 -1.041 311 HB2 ASP 41 HB2 ASP 41 -11.823 6.223 0.535 312 HB3 ASP 41 HB3 ASP 41 -12.318 6.687 -1.093 313 H ILE 42 H ILE 42 -12.349 5.431 -2.795 314 HA ILE 42 HA ILE 42 -10.651 3.038 -3.369 315 HB ILE 42 HB ILE 42 -12.433 4.592 -5.271 316 HG12 ILE 42 HG12 ILE 42 -12.571 1.689 -4.314 317 HG13 ILE 42 HG13 ILE 42 -13.613 2.985 -3.737 318 HG21 ILE 42 HG21 ILE 42 -10.572 2.228 -5.823 319 HG22 ILE 42 HG22 ILE 42 -11.695 2.966 -6.992 320 HG23 ILE 42 HG23 ILE 42 -10.336 3.894 -6.400 321 HD11 ILE 42 HD11 ILE 42 -14.478 3.302 -6.071 322 HD12 ILE 42 HD12 ILE 42 -13.582 1.836 -6.545 323 HD13 ILE 42 HD13 ILE 42 -14.861 1.735 -5.329 324 H ILE 43 H ILE 43 -8.592 3.415 -3.655 325 HA ILE 43 HA ILE 43 -7.581 6.124 -4.207 326 HB ILE 43 HB ILE 43 -6.281 3.692 -2.925 327 HG12 ILE 43 HG12 ILE 43 -8.089 4.257 -1.470 328 HG13 ILE 43 HG13 ILE 43 -6.591 4.776 -0.734 329 HG21 ILE 43 HG21 ILE 43 -5.396 6.602 -2.852 330 HG22 ILE 43 HG22 ILE 43 -4.610 5.239 -2.041 331 HG23 ILE 43 HG23 ILE 43 -4.642 5.314 -3.805 332 HD11 ILE 43 HD11 ILE 43 -7.074 7.127 -1.299 333 HD12 ILE 43 HD12 ILE 43 -8.547 6.635 -2.164 334 HD13 ILE 43 HD13 ILE 43 -8.439 6.396 -0.427 335 H LYS 44 H LYS 44 -6.672 6.479 -6.176 336 HA LYS 44 HA LYS 44 -5.810 4.289 -7.921 337 HB2 LYS 44 HB2 LYS 44 -7.126 6.341 -8.544 338 HB3 LYS 44 HB3 LYS 44 -5.636 7.291 -8.367 339 HG2 LYS 44 HG2 LYS 44 -4.567 5.988 -10.134 340 HG3 LYS 44 HG3 LYS 44 -5.896 4.818 -10.124 341 HD2 LYS 44 HD2 LYS 44 -7.445 6.764 -10.814 342 HD3 LYS 44 HD3 LYS 44 -5.949 7.685 -11.160 343 HE2 LYS 44 HE2 LYS 44 -5.192 5.805 -12.602 344 HE3 LYS 44 HE3 LYS 44 -6.643 4.908 -12.168 345 HZ1 LYS 44 HZ1 LYS 44 -8.006 6.548 -13.324 346 HZ2 LYS 44 HZ2 LYS 44 -6.655 7.426 -13.769 347 HZ3 LYS 44 HZ3 LYS 44 -6.925 5.885 -14.294 348 H VAL 45 H VAL 45 -3.727 3.671 -8.440 349 HA VAL 45 HA VAL 45 -1.518 5.125 -7.068 350 HB VAL 45 HB VAL 45 -2.146 2.776 -6.364 351 HG11 VAL 45 HG11 VAL 45 -0.593 1.967 -8.853 352 HG12 VAL 45 HG12 VAL 45 -1.278 0.908 -7.608 353 HG13 VAL 45 HG13 VAL 45 -2.351 1.847 -8.676 354 HG21 VAL 45 HG21 VAL 45 -0.022 3.869 -5.722 355 HG22 VAL 45 HG22 VAL 45 0.191 2.131 -5.984 356 HG23 VAL 45 HG23 VAL 45 0.742 3.286 -7.217 357 H VAL 46 H VAL 46 0.202 5.888 -8.119 358 HA VAL 46 HA VAL 46 0.114 5.970 -11.032 359 HB VAL 46 HB VAL 46 1.873 7.622 -10.882 360 HG11 VAL 46 HG11 VAL 46 -0.461 8.301 -10.411 361 HG12 VAL 46 HG12 VAL 46 -0.152 8.112 -8.672 362 HG13 VAL 46 HG13 VAL 46 0.742 9.320 -9.606 363 HG21 VAL 46 HG21 VAL 46 2.092 6.990 -7.924 364 HG22 VAL 46 HG22 VAL 46 3.332 6.742 -9.165 365 HG23 VAL 46 HG23 VAL 46 2.821 8.377 -8.750 366 HA PRO 47 HA PRO 47 3.470 3.111 -12.024 367 HB2 PRO 47 HB2 PRO 47 4.887 4.471 -13.959 368 HB3 PRO 47 HB3 PRO 47 3.331 3.644 -14.273 369 HG2 PRO 47 HG2 PRO 47 3.773 6.582 -13.636 370 HG3 PRO 47 HG3 PRO 47 2.819 5.874 -14.977 371 HD2 PRO 47 HD2 PRO 47 1.585 6.672 -12.737 372 HD3 PRO 47 HD3 PRO 47 1.118 5.122 -13.477 373 H GLY 48 H GLY 48 5.502 2.799 -11.118 374 HA2 GLY 48 HA2 GLY 48 7.359 3.211 -9.828 375 HA3 GLY 48 HA3 GLY 48 7.277 4.916 -10.266 376 H GLY 49 H GLY 49 4.271 4.305 -8.969 377 HA2 GLY 49 HA2 GLY 49 4.824 5.758 -6.567 378 HA3 GLY 49 HA3 GLY 49 3.275 5.097 -7.071 379 H LYS 50 H LYS 50 3.454 5.048 -4.553 380 HA LYS 50 HA LYS 50 4.180 2.244 -3.731 381 HB2 LYS 50 HB2 LYS 50 4.163 4.721 -1.965 382 HB3 LYS 50 HB3 LYS 50 4.611 3.071 -1.498 383 HG2 LYS 50 HG2 LYS 50 6.499 3.168 -3.154 384 HG3 LYS 50 HG3 LYS 50 6.090 4.864 -3.460 385 HD2 LYS 50 HD2 LYS 50 6.486 5.404 -1.066 386 HD3 LYS 50 HD3 LYS 50 6.854 3.702 -0.755 387 HE2 LYS 50 HE2 LYS 50 8.946 4.805 -0.925 388 HE3 LYS 50 HE3 LYS 50 8.755 3.848 -2.397 389 HZ1 LYS 50 HZ1 LYS 50 8.100 5.916 -3.550 390 HZ2 LYS 50 HZ2 LYS 50 8.347 6.772 -2.155 391 HZ3 LYS 50 HZ3 LYS 50 9.597 5.988 -2.900 392 H PHE 51 H PHE 51 2.834 1.201 -2.206 393 HA PHE 51 HA PHE 51 -0.002 2.048 -2.315 394 HB2 PHE 51 HB2 PHE 51 1.292 -0.478 -1.293 395 HB3 PHE 51 HB3 PHE 51 -0.433 -0.143 -1.221 396 HD1 PHE 51 HD1 PHE 51 2.423 -0.733 -3.525 397 HD2 PHE 51 HD2 PHE 51 -1.846 -0.318 -3.206 398 HE1 PHE 51 HE1 PHE 51 2.196 -1.482 -5.857 399 HE2 PHE 51 HE2 PHE 51 -2.079 -1.144 -5.542 400 HZ PHE 51 HZ PHE 51 -0.044 -1.690 -6.883 401 HA PRO 52 HA PRO 52 0.834 3.891 1.667 402 HB2 PRO 52 HB2 PRO 52 -1.293 5.556 1.923 403 HB3 PRO 52 HB3 PRO 52 -0.078 5.760 0.625 404 HG2 PRO 52 HG2 PRO 52 -2.779 4.395 0.431 405 HG3 PRO 52 HG3 PRO 52 -2.076 5.624 -0.666 406 HD2 PRO 52 HD2 PRO 52 -1.940 2.920 -1.162 407 HD3 PRO 52 HD3 PRO 52 -0.671 4.073 -1.671 408 H VAL 53 H VAL 53 -1.844 1.763 1.293 409 HA VAL 53 HA VAL 53 -2.042 1.110 4.097 410 HB VAL 53 HB VAL 53 -4.585 1.182 4.047 411 HG11 VAL 53 HG11 VAL 53 -3.170 3.862 4.274 412 HG12 VAL 53 HG12 VAL 53 -4.716 3.392 5.008 413 HG13 VAL 53 HG13 VAL 53 -3.220 2.607 5.531 414 HG21 VAL 53 HG21 VAL 53 -5.683 2.884 2.754 415 HG22 VAL 53 HG22 VAL 53 -4.148 3.432 2.055 416 HG23 VAL 53 HG23 VAL 53 -4.800 1.826 1.631 417 H ASP 54 H ASP 54 -3.503 -0.914 4.272 418 HA ASP 54 HA ASP 54 -3.080 -2.587 1.879 419 HB2 ASP 54 HB2 ASP 54 -3.791 -4.460 3.261 420 HB3 ASP 54 HB3 ASP 54 -2.425 -3.583 3.929 421 H GLY 55 H GLY 55 -4.642 -3.776 0.819 422 HA2 GLY 55 HA2 GLY 55 -7.434 -3.662 1.235 423 HA3 GLY 55 HA3 GLY 55 -7.029 -2.287 0.204 424 H ARG 56 H ARG 56 -8.545 -3.481 -1.158 425 HA ARG 56 HA ARG 56 -7.187 -5.621 -2.768 426 HB2 ARG 56 HB2 ARG 56 -9.279 -6.198 -1.429 427 HB3 ARG 56 HB3 ARG 56 -10.180 -5.276 -2.640 428 HG2 ARG 56 HG2 ARG 56 -9.327 -6.793 -4.419 429 HG3 ARG 56 HG3 ARG 56 -8.319 -7.626 -3.224 430 HD2 ARG 56 HD2 ARG 56 -10.262 -8.968 -3.687 431 HD3 ARG 56 HD3 ARG 56 -10.303 -8.414 -2.020 432 HE ARG 56 HE ARG 56 -12.079 -7.584 -4.254 433 HH11 ARG 56 HH11 ARG 56 -11.498 -7.321 -0.774 434 HH12 ARG 56 HH12 ARG 56 -13.017 -6.494 -0.556 435 HH21 ARG 56 HH21 ARG 56 -13.869 -6.629 -3.904 436 HH22 ARG 56 HH22 ARG 56 -14.320 -5.968 -2.344 437 H VAL 57 H VAL 57 -7.026 -5.556 -4.897 438 HA VAL 57 HA VAL 57 -7.228 -2.966 -6.313 439 HB VAL 57 HB VAL 57 -6.081 -5.697 -7.070 440 HG11 VAL 57 HG11 VAL 57 -5.920 -3.029 -8.519 441 HG12 VAL 57 HG12 VAL 57 -4.978 -4.485 -8.935 442 HG13 VAL 57 HG13 VAL 57 -6.726 -4.506 -9.089 443 HG21 VAL 57 HG21 VAL 57 -3.868 -4.739 -6.800 444 HG22 VAL 57 HG22 VAL 57 -4.557 -3.179 -6.310 445 HG23 VAL 57 HG23 VAL 57 -4.746 -4.613 -5.278 446 H ILE 58 H ILE 58 -8.941 -2.651 -7.732 447 HA ILE 58 HA ILE 58 -10.342 -5.041 -8.868 448 HB ILE 58 HB ILE 58 -12.555 -3.732 -8.406 449 HG12 ILE 58 HG12 ILE 58 -10.930 -2.777 -6.026 450 HG13 ILE 58 HG13 ILE 58 -11.210 -1.738 -7.441 451 HG21 ILE 58 HG21 ILE 58 -11.181 -5.175 -6.109 452 HG22 ILE 58 HG22 ILE 58 -12.922 -4.998 -6.385 453 HG23 ILE 58 HG23 ILE 58 -11.960 -5.967 -7.498 454 HD11 ILE 58 HD11 ILE 58 -12.847 -1.170 -5.772 455 HD12 ILE 58 HD12 ILE 58 -13.664 -1.950 -7.134 456 HD13 ILE 58 HD13 ILE 58 -13.381 -2.855 -5.623 457 H GLU 59 H GLU 59 -8.457 -3.044 -9.898 458 HA GLU 59 HA GLU 59 -9.554 -3.038 -12.536 459 HB2 GLU 59 HB2 GLU 59 -10.412 -0.801 -11.332 460 HB3 GLU 59 HB3 GLU 59 -8.734 -0.309 -11.485 461 HG2 GLU 59 HG2 GLU 59 -9.969 0.562 -13.338 462 HG3 GLU 59 HG3 GLU 59 -8.878 -0.671 -13.965 463 H GLY 60 H GLY 60 -7.749 -3.091 -14.013 464 HA2 GLY 60 HA2 GLY 60 -5.711 -2.121 -14.788 465 HA3 GLY 60 HA3 GLY 60 -5.199 -1.818 -13.143 466 H HIS 61 H HIS 61 -3.357 -2.776 -14.496 467 HA HIS 61 HA HIS 61 -3.112 -5.734 -14.016 468 HB2 HIS 61 HB2 HIS 61 -2.321 -6.032 -16.318 469 HB3 HIS 61 HB3 HIS 61 -3.957 -5.431 -16.236 470 HD1 HIS 61 HD1 HIS 61 -0.412 -3.902 -16.935 471 HD2 HIS 61 HD2 HIS 61 -4.518 -3.460 -17.804 472 HE1 HIS 61 HE1 HIS 61 -0.576 -2.124 -18.734 473 H SER 62 H SER 62 -1.758 -3.771 -12.428 474 HA SER 62 HA SER 62 0.895 -3.411 -13.565 475 HB2 SER 62 HB2 SER 62 -0.535 -1.736 -12.144 476 HB3 SER 62 HB3 SER 62 0.210 -2.529 -10.760 477 HG SER 62 HG SER 62 1.730 -1.649 -12.964 478 H MET 63 H MET 63 2.895 -3.560 -12.116 479 HA MET 63 HA MET 63 2.908 -6.218 -10.757 480 HB2 MET 63 HB2 MET 63 4.076 -6.299 -12.878 481 HB3 MET 63 HB3 MET 63 5.126 -4.959 -12.396 482 HG2 MET 63 HG2 MET 63 6.186 -6.233 -10.722 483 HG3 MET 63 HG3 MET 63 4.930 -7.473 -10.710 484 HE1 MET 63 HE1 MET 63 5.670 -9.783 -13.635 485 HE2 MET 63 HE2 MET 63 4.957 -9.625 -12.016 486 HE3 MET 63 HE3 MET 63 4.356 -8.618 -13.354 487 H VAL 64 H VAL 64 3.723 -6.338 -8.788 488 HA VAL 64 HA VAL 64 4.558 -3.814 -7.416 489 HB VAL 64 HB VAL 64 2.675 -5.990 -6.436 490 HG11 VAL 64 HG11 VAL 64 3.563 -3.376 -5.144 491 HG12 VAL 64 HG12 VAL 64 2.200 -4.363 -4.582 492 HG13 VAL 64 HG13 VAL 64 3.832 -5.025 -4.532 493 HG21 VAL 64 HG21 VAL 64 1.571 -4.640 -8.139 494 HG22 VAL 64 HG22 VAL 64 0.971 -4.138 -6.553 495 HG23 VAL 64 HG23 VAL 64 2.174 -3.151 -7.410 496 H ASP 65 H ASP 65 6.180 -3.833 -6.036 497 HA ASP 65 HA ASP 65 7.755 -6.295 -5.539 498 HB2 ASP 65 HB2 ASP 65 8.880 -4.229 -6.230 499 HB3 ASP 65 HB3 ASP 65 8.216 -3.368 -4.837 500 H GLU 66 H GLU 66 6.973 -7.599 -3.943 501 HA GLU 66 HA GLU 66 5.805 -6.411 -1.459 502 HB2 GLU 66 HB2 GLU 66 5.728 -9.307 -2.368 503 HB3 GLU 66 HB3 GLU 66 4.798 -8.534 -1.079 504 HG2 GLU 66 HG2 GLU 66 3.737 -7.082 -2.892 505 HG3 GLU 66 HG3 GLU 66 4.457 -8.197 -4.065 506 H SER 67 H SER 67 8.661 -7.778 -2.520 507 HA SER 67 HA SER 67 9.529 -9.714 -0.929 508 HB2 SER 67 HB2 SER 67 11.818 -9.085 -1.341 509 HB3 SER 67 HB3 SER 67 10.835 -8.711 -2.758 510 HG SER 67 HG SER 67 10.744 -6.499 -1.820 511 H LEU 68 H LEU 68 9.555 -6.394 0.407 512 HA LEU 68 HA LEU 68 11.040 -7.310 2.769 513 HB2 LEU 68 HB2 LEU 68 11.218 -5.067 1.490 514 HB3 LEU 68 HB3 LEU 68 9.658 -4.641 2.141 515 HG LEU 68 HG LEU 68 11.456 -3.451 3.166 516 HD11 LEU 68 HD11 LEU 68 10.473 -5.288 5.353 517 HD12 LEU 68 HD12 LEU 68 10.939 -3.593 5.448 518 HD13 LEU 68 HD13 LEU 68 9.460 -4.037 4.584 519 HD21 LEU 68 HD21 LEU 68 13.289 -5.042 2.976 520 HD22 LEU 68 HD22 LEU 68 13.124 -4.417 4.627 521 HD23 LEU 68 HD23 LEU 68 12.552 -6.056 4.243 522 H ILE 69 H ILE 69 7.658 -6.898 1.919 523 HA ILE 69 HA ILE 69 6.797 -6.959 4.754 524 HB ILE 69 HB ILE 69 5.010 -6.956 2.301 525 HG12 ILE 69 HG12 ILE 69 6.346 -4.968 2.030 526 HG13 ILE 69 HG13 ILE 69 4.726 -4.545 2.543 527 HG21 ILE 69 HG21 ILE 69 4.590 -6.294 5.248 528 HG22 ILE 69 HG22 ILE 69 3.411 -5.922 3.982 529 HG23 ILE 69 HG23 ILE 69 3.847 -7.603 4.312 530 HD11 ILE 69 HD11 ILE 69 5.561 -4.214 4.876 531 HD12 ILE 69 HD12 ILE 69 7.208 -4.538 4.300 532 HD13 ILE 69 HD13 ILE 69 6.308 -3.132 3.683 533 H THR 70 H THR 70 6.184 -8.917 1.780 534 HA THR 70 HA THR 70 5.089 -11.129 3.364 535 HB THR 70 HB THR 70 4.756 -12.191 1.159 536 HG1 THR 70 HG1 THR 70 5.258 -10.859 -0.649 537 HG21 THR 70 HG21 THR 70 3.070 -10.511 1.978 538 HG22 THR 70 HG22 THR 70 3.922 -9.251 1.065 539 HG23 THR 70 HG23 THR 70 3.167 -10.618 0.216 540 H GLY 71 H GLY 71 8.203 -10.302 2.164 541 HA2 GLY 71 HA2 GLY 71 10.214 -11.322 2.575 542 HA3 GLY 71 HA3 GLY 71 9.420 -12.824 3.097 543 H GLU 72 H GLU 72 8.198 -11.703 0.167 544 HA GLU 72 HA GLU 72 9.266 -13.758 -1.547 545 HB2 GLU 72 HB2 GLU 72 7.805 -11.142 -2.080 546 HB3 GLU 72 HB3 GLU 72 8.275 -12.220 -3.383 547 HG2 GLU 72 HG2 GLU 72 6.421 -12.970 -1.093 548 HG3 GLU 72 HG3 GLU 72 5.948 -12.565 -2.736 549 H ALA 73 H ALA 73 10.097 -12.652 -3.857 550 HA ALA 73 HA ALA 73 12.588 -11.179 -3.370 551 HB1 ALA 73 HB1 ALA 73 12.704 -14.015 -4.471 552 HB2 ALA 73 HB2 ALA 73 14.063 -12.916 -4.155 553 HB3 ALA 73 HB3 ALA 73 13.121 -13.567 -2.800 554 H MET 74 H MET 74 10.252 -12.528 -5.608 555 HA MET 74 HA MET 74 11.323 -10.694 -7.721 556 HB2 MET 74 HB2 MET 74 9.804 -13.287 -8.074 557 HB3 MET 74 HB3 MET 74 10.119 -12.118 -9.364 558 HG2 MET 74 HG2 MET 74 12.556 -12.344 -9.006 559 HG3 MET 74 HG3 MET 74 12.264 -13.500 -7.711 560 HE1 MET 74 HE1 MET 74 10.593 -13.170 -11.372 561 HE2 MET 74 HE2 MET 74 12.331 -12.846 -11.562 562 HE3 MET 74 HE3 MET 74 11.620 -14.329 -12.234 563 HA PRO 75 HA PRO 75 7.619 -8.322 -7.161 564 HB2 PRO 75 HB2 PRO 75 7.949 -7.713 -10.094 565 HB3 PRO 75 HB3 PRO 75 7.594 -6.587 -8.741 566 HG2 PRO 75 HG2 PRO 75 10.102 -6.776 -9.724 567 HG3 PRO 75 HG3 PRO 75 9.856 -6.766 -7.944 568 HD2 PRO 75 HD2 PRO 75 10.308 -9.156 -9.767 569 HD3 PRO 75 HD3 PRO 75 11.062 -8.749 -8.199 570 H VAL 76 H VAL 76 5.440 -8.382 -7.467 571 HA VAL 76 HA VAL 76 4.363 -10.867 -8.691 572 HB VAL 76 HB VAL 76 3.233 -9.144 -6.451 573 HG11 VAL 76 HG11 VAL 76 2.564 -11.978 -7.368 574 HG12 VAL 76 HG12 VAL 76 1.912 -11.181 -5.922 575 HG13 VAL 76 HG13 VAL 76 1.514 -10.549 -7.519 576 HG21 VAL 76 HG21 VAL 76 5.364 -10.076 -5.689 577 HG22 VAL 76 HG22 VAL 76 4.039 -10.959 -4.941 578 HG23 VAL 76 HG23 VAL 76 4.906 -11.678 -6.309 579 H ALA 77 H ALA 77 2.828 -10.838 -10.232 580 HA ALA 77 HA ALA 77 1.842 -8.306 -11.295 581 HB1 ALA 77 HB1 ALA 77 1.146 -11.183 -12.012 582 HB2 ALA 77 HB2 ALA 77 0.753 -9.735 -12.962 583 HB3 ALA 77 HB3 ALA 77 2.443 -10.215 -12.740 584 H LYS 78 H LYS 78 -0.011 -7.307 -10.926 585 HA LYS 78 HA LYS 78 -2.185 -8.575 -9.292 586 HB2 LYS 78 HB2 LYS 78 -1.579 -5.627 -9.759 587 HB3 LYS 78 HB3 LYS 78 -2.827 -6.275 -8.698 588 HG2 LYS 78 HG2 LYS 78 0.183 -6.556 -8.330 589 HG3 LYS 78 HG3 LYS 78 -0.892 -5.490 -7.427 590 HD2 LYS 78 HD2 LYS 78 -2.095 -7.359 -6.463 591 HD3 LYS 78 HD3 LYS 78 -1.134 -8.526 -7.396 592 HE2 LYS 78 HE2 LYS 78 0.900 -7.919 -6.230 593 HE3 LYS 78 HE3 LYS 78 0.088 -6.602 -5.382 594 HZ1 LYS 78 HZ1 LYS 78 -0.581 -9.490 -5.008 595 HZ2 LYS 78 HZ2 LYS 78 0.350 -8.599 -4.006 596 HZ3 LYS 78 HZ3 LYS 78 -1.239 -8.244 -4.167 597 H LYS 79 H LYS 79 -4.356 -8.076 -9.731 598 HA LYS 79 HA LYS 79 -5.211 -7.078 -12.322 599 HB2 LYS 79 HB2 LYS 79 -6.165 -9.160 -13.115 600 HB3 LYS 79 HB3 LYS 79 -4.476 -9.438 -12.758 601 HG2 LYS 79 HG2 LYS 79 -5.269 -10.323 -10.485 602 HG3 LYS 79 HG3 LYS 79 -6.897 -10.316 -11.169 603 HD2 LYS 79 HD2 LYS 79 -4.529 -11.823 -12.342 604 HD3 LYS 79 HD3 LYS 79 -5.682 -12.513 -11.201 605 HE2 LYS 79 HE2 LYS 79 -7.517 -12.197 -12.783 606 HE3 LYS 79 HE3 LYS 79 -6.422 -11.426 -13.948 607 HZ1 LYS 79 HZ1 LYS 79 -6.022 -14.179 -12.913 608 HZ2 LYS 79 HZ2 LYS 79 -6.796 -13.869 -14.333 609 HZ3 LYS 79 HZ3 LYS 79 -5.217 -13.460 -14.152 610 HA PRO 80 HA PRO 80 -8.800 -6.201 -9.761 611 HB2 PRO 80 HB2 PRO 80 -11.040 -7.310 -11.024 612 HB3 PRO 80 HB3 PRO 80 -10.297 -5.730 -11.413 613 HG2 PRO 80 HG2 PRO 80 -9.814 -8.400 -12.753 614 HG3 PRO 80 HG3 PRO 80 -10.112 -6.808 -13.524 615 HD2 PRO 80 HD2 PRO 80 -7.619 -7.743 -13.303 616 HD3 PRO 80 HD3 PRO 80 -7.932 -6.029 -12.941 617 H GLY 81 H GLY 81 -9.712 -7.067 -7.974 618 HA2 GLY 81 HA2 GLY 81 -10.466 -8.632 -6.442 619 HA3 GLY 81 HA3 GLY 81 -10.214 -9.936 -7.599 620 H SER 82 H SER 82 -7.369 -7.787 -7.033 621 HA SER 82 HA SER 82 -6.050 -10.119 -5.665 622 HB2 SER 82 HB2 SER 82 -4.896 -7.655 -7.040 623 HB3 SER 82 HB3 SER 82 -3.953 -8.889 -6.198 624 HG SER 82 HG SER 82 -5.664 -9.867 -8.128 625 H THR 83 H THR 83 -4.989 -9.769 -3.532 626 HA THR 83 HA THR 83 -5.660 -7.148 -2.299 627 HB THR 83 HB THR 83 -5.075 -8.039 -0.187 628 HG1 THR 83 HG1 THR 83 -4.780 -10.470 -0.260 629 HG21 THR 83 HG21 THR 83 -6.835 -9.668 0.084 630 HG22 THR 83 HG22 THR 83 -7.362 -8.450 -1.079 631 HG23 THR 83 HG23 THR 83 -6.831 -10.051 -1.652 632 H VAL 84 H VAL 84 -4.178 -5.892 -1.190 633 HA VAL 84 HA VAL 84 -1.271 -6.284 -1.683 634 HB VAL 84 HB VAL 84 -1.076 -3.799 -2.101 635 HG11 VAL 84 HG11 VAL 84 -2.551 -5.365 -4.241 636 HG12 VAL 84 HG12 VAL 84 -1.518 -3.937 -4.477 637 HG13 VAL 84 HG13 VAL 84 -0.808 -5.445 -3.882 638 HG21 VAL 84 HG21 VAL 84 -3.355 -3.101 -1.365 639 HG22 VAL 84 HG22 VAL 84 -2.958 -2.564 -3.004 640 HG23 VAL 84 HG23 VAL 84 -4.045 -3.942 -2.771 641 H ILE 85 H ILE 85 0.093 -5.101 -0.347 642 HA ILE 85 HA ILE 85 -0.979 -4.194 2.275 643 HB ILE 85 HB ILE 85 1.595 -4.732 2.919 644 HG12 ILE 85 HG12 ILE 85 2.250 -6.964 2.144 645 HG13 ILE 85 HG13 ILE 85 0.895 -7.046 1.032 646 HG21 ILE 85 HG21 ILE 85 0.750 -6.746 4.013 647 HG22 ILE 85 HG22 ILE 85 -0.393 -5.406 4.137 648 HG23 ILE 85 HG23 ILE 85 -0.702 -6.723 2.983 649 HD11 ILE 85 HD11 ILE 85 3.122 -4.976 0.862 650 HD12 ILE 85 HD12 ILE 85 3.095 -6.508 -0.045 651 HD13 ILE 85 HD13 ILE 85 1.860 -5.278 -0.354 652 H ALA 86 H ALA 86 0.040 -2.473 3.315 653 HA ALA 86 HA ALA 86 0.842 -0.312 1.634 654 HB1 ALA 86 HB1 ALA 86 1.181 -0.638 4.645 655 HB2 ALA 86 HB2 ALA 86 1.150 0.889 3.732 656 HB3 ALA 86 HB3 ALA 86 -0.307 -0.111 3.840 657 H GLY 87 H GLY 87 2.871 0.752 1.480 658 HA2 GLY 87 HA2 GLY 87 5.208 1.050 1.624 659 HA3 GLY 87 HA3 GLY 87 5.327 -0.345 2.698 660 H SER 88 H SER 88 3.589 -1.443 0.078 661 HA SER 88 HA SER 88 5.934 -2.585 -1.288 662 HB2 SER 88 HB2 SER 88 4.300 -3.710 -2.710 663 HB3 SER 88 HB3 SER 88 4.057 -4.043 -0.998 664 HG SER 88 HG SER 88 2.205 -2.836 -1.012 665 H ILE 89 H ILE 89 6.413 -2.252 -3.491 666 HA ILE 89 HA ILE 89 5.801 0.533 -4.386 667 HB ILE 89 HB ILE 89 8.218 -0.996 -5.298 668 HG12 ILE 89 HG12 ILE 89 8.419 -1.200 -2.882 669 HG13 ILE 89 HG13 ILE 89 9.605 -0.100 -3.547 670 HG21 ILE 89 HG21 ILE 89 9.135 1.313 -5.479 671 HG22 ILE 89 HG22 ILE 89 7.679 1.083 -6.452 672 HG23 ILE 89 HG23 ILE 89 7.581 1.964 -4.917 673 HD11 ILE 89 HD11 ILE 89 7.075 0.837 -2.133 674 HD12 ILE 89 HD12 ILE 89 8.673 0.671 -1.386 675 HD13 ILE 89 HD13 ILE 89 8.436 1.835 -2.695 676 H ASN 90 H ASN 90 5.010 0.981 -6.372 677 HA ASN 90 HA ASN 90 4.084 -1.290 -8.009 678 HB2 ASN 90 HB2 ASN 90 2.559 0.573 -7.054 679 HB3 ASN 90 HB3 ASN 90 3.320 1.653 -8.218 680 HD21 ASN 90 HD22 ASN 90 1.951 1.854 -10.005 681 HD22 ASN 90 HD21 ASN 90 1.136 0.432 -10.687 682 H GLN 91 H GLN 91 4.425 -1.486 -10.217 683 HA GLN 91 HA GLN 91 6.765 -0.058 -11.293 684 HB2 GLN 91 HB2 GLN 91 6.585 -2.568 -11.210 685 HB3 GLN 91 HB3 GLN 91 5.318 -2.475 -12.419 686 HG2 GLN 91 HG2 GLN 91 7.205 -2.873 -13.710 687 HG3 GLN 91 HG3 GLN 91 7.101 -1.118 -13.837 688 HE21 GLN 91 HE22 GLN 91 8.720 0.183 -12.536 689 HE22 GLN 91 HE21 GLN 91 10.087 -0.648 -11.810 690 H ASN 92 H ASN 92 4.108 -1.288 -13.297 691 HA ASN 92 HA ASN 92 3.188 1.304 -14.293 692 HB2 ASN 92 HB2 ASN 92 5.179 0.973 -15.682 693 HB3 ASN 92 HB3 ASN 92 4.766 -0.709 -15.978 694 HD21 ASN 92 HD22 ASN 92 3.731 2.552 -16.869 695 HD22 ASN 92 HD21 ASN 92 2.627 1.883 -18.068 696 H GLY 93 H GLY 93 1.057 0.891 -15.539 697 HA2 GLY 93 HA2 GLY 93 -0.470 -0.686 -16.350 698 HA3 GLY 93 HA3 GLY 93 -0.019 -1.841 -15.116 699 H SER 94 H SER 94 -0.495 1.532 -14.372 700 HA SER 94 HA SER 94 -1.837 2.396 -12.600 701 HB2 SER 94 HB2 SER 94 -2.009 3.242 -14.982 702 HB3 SER 94 HB3 SER 94 -3.549 2.382 -15.087 703 HG SER 94 HG SER 94 -3.760 4.558 -14.463 704 H LEU 95 H LEU 95 -2.646 1.291 -10.920 705 HA LEU 95 HA LEU 95 -5.082 -0.401 -11.258 706 HB2 LEU 95 HB2 LEU 95 -3.266 -0.131 -8.863 707 HB3 LEU 95 HB3 LEU 95 -4.563 -1.283 -9.041 708 HG LEU 95 HG LEU 95 -1.893 -1.250 -10.485 709 HD11 LEU 95 HD11 LEU 95 -1.389 -3.195 -9.123 710 HD12 LEU 95 HD12 LEU 95 -1.885 -1.864 -8.072 711 HD13 LEU 95 HD13 LEU 95 -3.024 -3.174 -8.421 712 HD21 LEU 95 HD21 LEU 95 -2.723 -3.673 -11.068 713 HD22 LEU 95 HD22 LEU 95 -4.334 -3.036 -10.753 714 HD23 LEU 95 HD23 LEU 95 -3.336 -2.278 -12.008 715 H LEU 96 H LEU 96 -6.830 -0.206 -9.881 716 HA LEU 96 HA LEU 96 -6.968 2.189 -8.085 717 HB2 LEU 96 HB2 LEU 96 -9.245 0.998 -9.715 718 HB3 LEU 96 HB3 LEU 96 -9.444 2.054 -8.335 719 HG LEU 96 HG LEU 96 -8.089 3.826 -9.537 720 HD11 LEU 96 HD11 LEU 96 -8.214 3.666 -12.080 721 HD12 LEU 96 HD12 LEU 96 -6.992 2.625 -11.347 722 HD13 LEU 96 HD13 LEU 96 -8.539 1.950 -11.901 723 HD21 LEU 96 HD21 LEU 96 -10.554 3.867 -9.344 724 HD22 LEU 96 HD22 LEU 96 -10.000 4.548 -10.883 725 HD23 LEU 96 HD23 LEU 96 -10.681 2.908 -10.841 726 H ILE 97 H ILE 97 -7.091 1.697 -6.039 727 HA ILE 97 HA ILE 97 -7.747 -1.096 -5.212 728 HB ILE 97 HB ILE 97 -5.924 0.906 -3.824 729 HG12 ILE 97 HG12 ILE 97 -4.183 -0.966 -4.683 730 HG13 ILE 97 HG13 ILE 97 -5.332 -1.087 -6.009 731 HG21 ILE 97 HG21 ILE 97 -6.199 -2.112 -3.487 732 HG22 ILE 97 HG22 ILE 97 -5.134 -1.032 -2.571 733 HG23 ILE 97 HG23 ILE 97 -6.880 -0.897 -2.379 734 HD11 ILE 97 HD11 ILE 97 -3.916 1.462 -5.097 735 HD12 ILE 97 HD12 ILE 97 -3.454 0.458 -6.483 736 HD13 ILE 97 HD13 ILE 97 -4.980 1.331 -6.514 737 H CYS 98 H CYS 98 -9.375 -1.414 -3.799 738 HA CYS 98 HA CYS 98 -10.715 0.930 -2.554 739 HB2 CYS 98 HB2 CYS 98 -12.459 -0.619 -1.875 740 HB3 CYS 98 HB3 CYS 98 -12.210 -0.628 -3.618 741 HG CYS 98 HG CYS 98 -10.553 -2.797 -3.522 742 H ALA 99 H ALA 99 -10.113 1.624 -0.615 743 HA ALA 99 HA ALA 99 -8.208 0.060 0.981 744 HB1 ALA 99 HB1 ALA 99 -9.455 2.814 1.380 745 HB2 ALA 99 HB2 ALA 99 -8.150 2.109 2.359 746 HB3 ALA 99 HB3 ALA 99 -7.872 2.472 0.643 747 H THR 100 H THR 100 -8.780 -1.224 2.587 748 HA THR 100 HA THR 100 -11.430 -0.792 3.950 749 HB THR 100 HB THR 100 -11.161 -2.801 2.376 750 HG1 THR 100 HG1 THR 100 -12.911 -2.467 3.689 751 HG21 THR 100 HG21 THR 100 -10.338 -4.844 3.291 752 HG22 THR 100 HG22 THR 100 -9.032 -3.657 3.426 753 HG23 THR 100 HG23 THR 100 -9.993 -4.093 4.860 754 H HIS 101 H HIS 101 -8.248 -0.401 4.609 755 HA HIS 101 HA HIS 101 -8.957 -0.261 7.474 756 HB2 HIS 101 HB2 HIS 101 -6.430 -1.501 6.326 757 HB3 HIS 101 HB3 HIS 101 -6.624 -0.991 7.997 758 HD1 HIS 101 HD1 HIS 101 -7.237 -3.937 5.839 759 HD2 HIS 101 HD2 HIS 101 -8.732 -2.289 9.412 760 HE1 HIS 101 HE1 HIS 101 -8.630 -5.779 6.962 761 H VAL 102 H VAL 102 -7.945 1.365 8.602 762 HA VAL 102 HA VAL 102 -6.638 3.559 7.094 763 HB VAL 102 HB VAL 102 -6.883 4.814 9.237 764 HG11 VAL 102 HG11 VAL 102 -9.491 3.666 8.173 765 HG12 VAL 102 HG12 VAL 102 -9.262 5.207 9.023 766 HG13 VAL 102 HG13 VAL 102 -8.551 4.977 7.420 767 HG21 VAL 102 HG21 VAL 102 -6.976 2.842 10.792 768 HG22 VAL 102 HG22 VAL 102 -8.307 3.982 11.004 769 HG23 VAL 102 HG23 VAL 102 -8.595 2.457 10.150 770 H GLY 103 H GLY 103 -4.823 4.728 8.708 771 HA2 GLY 103 HA2 GLY 103 -2.575 3.111 8.037 772 HA3 GLY 103 HA3 GLY 103 -2.571 4.608 8.963 773 H ALA 104 H ALA 104 -4.168 3.714 11.209 774 HA ALA 104 HA ALA 104 -2.180 2.631 12.877 775 HB1 ALA 104 HB1 ALA 104 -5.214 2.689 13.190 776 HB2 ALA 104 HB2 ALA 104 -4.053 2.433 14.507 777 HB3 ALA 104 HB3 ALA 104 -4.079 3.983 13.644 778 H ASP 105 H ASP 105 -4.381 0.853 10.845 779 HA ASP 105 HA ASP 105 -4.021 -1.717 12.287 780 HB2 ASP 105 HB2 ASP 105 -6.213 -1.043 11.177 781 HB3 ASP 105 HB3 ASP 105 -5.368 -1.233 9.637 782 H THR 106 H THR 106 -2.111 0.063 10.124 783 HA THR 106 HA THR 106 -1.676 -2.004 8.143 784 HB THR 106 HB THR 106 0.170 -0.634 7.254 785 HG1 THR 106 HG1 THR 106 -0.599 1.146 9.319 786 HG21 THR 106 HG21 THR 106 -2.073 -0.315 6.394 787 HG22 THR 106 HG22 THR 106 -2.466 0.813 7.702 788 HG23 THR 106 HG23 THR 106 -1.234 1.245 6.490 789 H THR 107 H THR 107 -0.190 -3.527 7.912 790 HA THR 107 HA THR 107 0.774 -4.596 10.323 791 HB THR 107 HB THR 107 0.085 -5.864 8.275 792 HG1 THR 107 HG1 THR 107 1.845 -7.467 8.719 793 HG21 THR 107 HG21 THR 107 2.996 -5.546 7.430 794 HG22 THR 107 HG22 THR 107 1.753 -6.560 6.670 795 HG23 THR 107 HG23 THR 107 1.605 -4.799 6.604 796 H LEU 108 H LEU 108 2.545 -2.492 8.180 797 HA LEU 108 HA LEU 108 5.213 -3.039 8.966 798 HB2 LEU 108 HB2 LEU 108 3.738 -0.482 8.220 799 HB3 LEU 108 HB3 LEU 108 5.465 -0.508 8.562 800 HG LEU 108 HG LEU 108 5.898 -1.985 6.666 801 HD11 LEU 108 HD11 LEU 108 2.899 -1.803 6.132 802 HD12 LEU 108 HD12 LEU 108 4.112 -2.372 4.971 803 HD13 LEU 108 HD13 LEU 108 3.842 -3.299 6.430 804 HD21 LEU 108 HD21 LEU 108 5.805 0.468 6.409 805 HD22 LEU 108 HD22 LEU 108 5.302 -0.354 4.925 806 HD23 LEU 108 HD23 LEU 108 4.076 0.356 6.005 807 H SER 109 H SER 109 2.767 -0.969 10.542 808 HA SER 109 HA SER 109 4.415 -0.135 12.752 809 HB2 SER 109 HB2 SER 109 2.417 0.762 13.671 810 HB3 SER 109 HB3 SER 109 2.305 0.998 11.923 811 HG SER 109 HG SER 109 0.891 -0.818 11.834 812 H GLN 110 H GLN 110 2.560 -2.976 12.113 813 HA GLN 110 HA GLN 110 2.385 -3.927 14.889 814 HB2 GLN 110 HB2 GLN 110 0.708 -4.415 13.011 815 HB3 GLN 110 HB3 GLN 110 1.884 -5.525 12.355 816 HG2 GLN 110 HG2 GLN 110 0.429 -6.875 13.594 817 HG3 GLN 110 HG3 GLN 110 1.876 -6.755 14.600 818 HE21 GLN 110 HE22 GLN 110 -1.251 -4.999 14.014 819 HE22 GLN 110 HE21 GLN 110 -1.437 -4.508 15.669 820 H ILE 111 H ILE 111 4.267 -4.811 11.997 821 HA ILE 111 HA ILE 111 5.695 -7.016 12.958 822 HB ILE 111 HB ILE 111 6.343 -4.889 10.891 823 HG12 ILE 111 HG12 ILE 111 5.716 -7.853 10.513 824 HG13 ILE 111 HG13 ILE 111 4.446 -6.652 10.627 825 HG21 ILE 111 HG21 ILE 111 7.958 -7.424 11.413 826 HG22 ILE 111 HG22 ILE 111 8.164 -6.343 10.026 827 HG23 ILE 111 HG23 ILE 111 8.544 -5.758 11.634 828 HD11 ILE 111 HD11 ILE 111 5.401 -5.446 8.656 829 HD12 ILE 111 HD12 ILE 111 6.595 -6.755 8.473 830 HD13 ILE 111 HD13 ILE 111 4.869 -7.102 8.302 831 H VAL 112 H VAL 112 6.836 -3.563 13.069 832 HA VAL 112 HA VAL 112 9.197 -4.153 14.439 833 HB VAL 112 HB VAL 112 9.285 -1.782 15.050 834 HG11 VAL 112 HG11 VAL 112 8.287 -2.212 12.207 835 HG12 VAL 112 HG12 VAL 112 9.334 -0.903 12.794 836 HG13 VAL 112 HG13 VAL 112 9.934 -2.566 12.783 837 HG21 VAL 112 HG21 VAL 112 7.565 -0.223 14.403 838 HG22 VAL 112 HG22 VAL 112 6.525 -1.520 13.787 839 HG23 VAL 112 HG23 VAL 112 6.864 -1.384 15.531 840 H LYS 113 H LYS 113 6.044 -4.192 15.887 841 HA LYS 113 HA LYS 113 7.041 -3.832 18.653 842 HB2 LYS 113 HB2 LYS 113 4.380 -4.924 17.725 843 HB3 LYS 113 HB3 LYS 113 4.837 -4.445 19.367 844 HG2 LYS 113 HG2 LYS 113 5.251 -2.090 18.448 845 HG3 LYS 113 HG3 LYS 113 4.460 -2.635 16.965 846 HD2 LYS 113 HD2 LYS 113 3.272 -2.471 19.752 847 HD3 LYS 113 HD3 LYS 113 2.814 -1.514 18.330 848 HE2 LYS 113 HE2 LYS 113 2.077 -3.660 17.215 849 HE3 LYS 113 HE3 LYS 113 2.467 -4.516 18.712 850 HZ1 LYS 113 HZ1 LYS 113 0.806 -3.096 19.847 851 HZ2 LYS 113 HZ2 LYS 113 0.372 -2.431 18.398 852 HZ3 LYS 113 HZ3 LYS 113 0.148 -4.043 18.713 853 H LEU 114 H LEU 114 6.498 -6.434 16.373 854 HA LEU 114 HA LEU 114 6.603 -8.637 18.345 855 HB2 LEU 114 HB2 LEU 114 5.078 -8.256 16.148 856 HB3 LEU 114 HB3 LEU 114 6.478 -8.958 15.341 857 HG LEU 114 HG LEU 114 4.787 -10.201 17.541 858 HD11 LEU 114 HD11 LEU 114 5.147 -10.931 14.608 859 HD12 LEU 114 HD12 LEU 114 4.104 -11.767 15.772 860 HD13 LEU 114 HD13 LEU 114 3.735 -10.100 15.301 861 HD21 LEU 114 HD21 LEU 114 6.996 -11.037 17.843 862 HD22 LEU 114 HD22 LEU 114 6.113 -12.293 16.957 863 HD23 LEU 114 HD23 LEU 114 7.244 -11.241 16.082 864 H VAL 115 H VAL 115 8.456 -7.497 15.485 865 HA VAL 115 HA VAL 115 10.521 -9.495 15.809 866 HB VAL 115 HB VAL 115 10.393 -6.991 14.092 867 HG11 VAL 115 HG11 VAL 115 12.303 -9.369 13.949 868 HG12 VAL 115 HG12 VAL 115 12.133 -8.112 12.704 869 HG13 VAL 115 HG13 VAL 115 12.738 -7.679 14.299 870 HG21 VAL 115 HG21 VAL 115 8.637 -8.643 13.527 871 HG22 VAL 115 HG22 VAL 115 9.885 -8.628 12.278 872 HG23 VAL 115 HG23 VAL 115 9.853 -9.936 13.474 873 H GLU 116 H GLU 116 10.065 -6.327 17.245 874 HA GLU 116 HA GLU 116 12.764 -5.833 18.075 875 HB2 GLU 116 HB2 GLU 116 10.938 -4.247 18.207 876 HB3 GLU 116 HB3 GLU 116 10.116 -5.184 19.450 877 HG2 GLU 116 HG2 GLU 116 12.960 -4.255 19.908 878 HG3 GLU 116 HG3 GLU 116 11.678 -3.053 19.933 879 H GLU 117 H GLU 117 10.375 -8.291 19.245 880 HA GLU 117 HA GLU 117 11.850 -8.835 21.709 881 HB2 GLU 117 HB2 GLU 117 9.472 -10.113 20.290 882 HB3 GLU 117 HB3 GLU 117 10.092 -10.618 21.856 883 HG2 GLU 117 HG2 GLU 117 9.170 -7.742 21.448 884 HG3 GLU 117 HG3 GLU 117 8.013 -9.041 21.593 885 H ALA 118 H ALA 118 12.220 -9.547 18.421 886 HA ALA 118 HA ALA 118 13.028 -12.391 18.690 887 HB1 ALA 118 HB1 ALA 118 12.955 -10.672 16.188 888 HB2 ALA 118 HB2 ALA 118 13.200 -12.421 16.290 889 HB3 ALA 118 HB3 ALA 118 11.637 -11.726 16.746 890 H GLN 119 H GLN 119 14.441 -9.223 18.539 891 HA GLN 119 HA GLN 119 17.095 -9.767 17.635 892 HB2 GLN 119 HB2 GLN 119 15.940 -7.659 19.469 893 HB3 GLN 119 HB3 GLN 119 17.561 -7.570 18.771 894 HG2 GLN 119 HG2 GLN 119 14.886 -6.919 17.641 895 HG3 GLN 119 HG3 GLN 119 16.440 -6.129 17.380 896 HE21 GLN 119 HE22 GLN 119 14.159 -8.368 16.185 897 HE22 GLN 119 HE21 GLN 119 15.275 -9.492 15.557 Start of MODEL 8 1 H SER 1 H SER 1 18.079 -4.326 15.526 2 HA SER 1 HA SER 1 15.356 -3.203 15.932 3 HB2 SER 1 HB2 SER 1 18.048 -2.373 17.058 4 HB3 SER 1 HB3 SER 1 16.483 -1.643 17.452 5 HG SER 1 HG SER 1 17.070 -3.156 19.009 6 H GLU 2 H GLU 2 18.412 -2.627 14.210 7 HA GLU 2 HA GLU 2 17.616 -0.069 13.111 8 HB2 GLU 2 HB2 GLU 2 19.996 -1.107 13.399 9 HB3 GLU 2 HB3 GLU 2 19.657 -1.968 11.895 10 HG2 GLU 2 HG2 GLU 2 19.201 0.213 10.780 11 HG3 GLU 2 HG3 GLU 2 19.472 1.039 12.317 12 H ALA 3 H ALA 3 17.071 -3.445 12.156 13 HA ALA 3 HA ALA 3 15.996 -2.836 9.513 14 HB1 ALA 3 HB1 ALA 3 15.769 -5.287 11.316 15 HB2 ALA 3 HB2 ALA 3 15.319 -5.204 9.602 16 HB3 ALA 3 HB3 ALA 3 17.013 -5.025 10.077 17 H LEU 4 H LEU 4 14.811 -2.782 12.820 18 HA LEU 4 HA LEU 4 12.025 -3.196 12.473 19 HB2 LEU 4 HB2 LEU 4 13.420 -3.100 14.550 20 HB3 LEU 4 HB3 LEU 4 13.325 -1.342 14.473 21 HG LEU 4 HG LEU 4 10.775 -2.979 14.396 22 HD11 LEU 4 HD11 LEU 4 12.342 -2.202 16.881 23 HD12 LEU 4 HD12 LEU 4 10.732 -2.972 16.834 24 HD13 LEU 4 HD13 LEU 4 12.155 -3.840 16.219 25 HD21 LEU 4 HD21 LEU 4 11.475 -0.234 15.558 26 HD22 LEU 4 HD22 LEU 4 10.488 -0.538 14.115 27 HD23 LEU 4 HD23 LEU 4 9.898 -1.029 15.701 28 H ALA 5 H ALA 5 14.076 -0.249 11.797 29 HA ALA 5 HA ALA 5 11.797 1.552 11.831 30 HB1 ALA 5 HB1 ALA 5 13.968 2.207 12.764 31 HB2 ALA 5 HB2 ALA 5 14.764 1.879 11.207 32 HB3 ALA 5 HB3 ALA 5 13.568 3.190 11.344 33 H LYS 6 H LYS 6 13.235 -0.667 9.542 34 HA LYS 6 HA LYS 6 12.894 0.996 7.187 35 HB2 LYS 6 HB2 LYS 6 14.453 -0.916 7.322 36 HB3 LYS 6 HB3 LYS 6 13.086 -2.041 7.409 37 HG2 LYS 6 HG2 LYS 6 12.374 -1.500 5.185 38 HG3 LYS 6 HG3 LYS 6 13.392 -0.050 5.126 39 HD2 LYS 6 HD2 LYS 6 15.426 -1.416 5.122 40 HD3 LYS 6 HD3 LYS 6 14.461 -2.909 5.221 41 HE2 LYS 6 HE2 LYS 6 13.446 -2.496 3.065 42 HE3 LYS 6 HE3 LYS 6 14.063 -0.846 3.020 43 HZ1 LYS 6 HZ1 LYS 6 16.273 -1.661 2.775 44 HZ2 LYS 6 HZ2 LYS 6 15.799 -3.251 2.904 45 HZ3 LYS 6 HZ3 LYS 6 15.325 -2.352 1.621 46 H LEU 7 H LEU 7 10.775 -1.203 8.951 47 HA LEU 7 HA LEU 7 8.517 -1.124 7.163 48 HB2 LEU 7 HB2 LEU 7 8.883 -1.576 10.129 49 HB3 LEU 7 HB3 LEU 7 7.282 -1.552 9.416 50 HG LEU 7 HG LEU 7 8.101 -3.817 9.789 51 HD11 LEU 7 HD11 LEU 7 7.548 -4.772 7.628 52 HD12 LEU 7 HD12 LEU 7 6.503 -3.393 7.985 53 HD13 LEU 7 HD13 LEU 7 7.834 -3.223 6.815 54 HD21 LEU 7 HD21 LEU 7 10.530 -3.458 9.364 55 HD22 LEU 7 HD22 LEU 7 9.847 -4.844 8.500 56 HD23 LEU 7 HD23 LEU 7 10.169 -3.343 7.617 57 H ILE 8 H ILE 8 9.720 1.220 9.531 58 HA ILE 8 HA ILE 8 7.441 2.998 9.232 59 HB ILE 8 HB ILE 8 10.168 3.590 10.370 60 HG12 ILE 8 HG12 ILE 8 9.075 1.884 11.632 61 HG13 ILE 8 HG13 ILE 8 9.023 3.392 12.543 62 HG21 ILE 8 HG21 ILE 8 7.612 5.232 10.377 63 HG22 ILE 8 HG22 ILE 8 9.043 5.549 11.386 64 HG23 ILE 8 HG23 ILE 8 9.171 5.650 9.626 65 HD11 ILE 8 HD11 ILE 8 6.933 2.225 12.816 66 HD12 ILE 8 HD12 ILE 8 6.598 3.626 11.781 67 HD13 ILE 8 HD13 ILE 8 6.737 1.994 11.085 68 H SER 9 H SER 9 10.611 2.657 7.559 69 HA SER 9 HA SER 9 10.398 5.113 6.062 70 HB2 SER 9 HB2 SER 9 11.852 2.538 5.298 71 HB3 SER 9 HB3 SER 9 12.142 4.152 4.642 72 HG SER 9 HG SER 9 13.632 3.422 6.274 73 H LEU 10 H LEU 10 9.134 1.854 5.644 74 HA LEU 10 HA LEU 10 8.392 2.032 2.850 75 HB2 LEU 10 HB2 LEU 10 7.883 0.154 5.182 76 HB3 LEU 10 HB3 LEU 10 7.084 -0.110 3.647 77 HG LEU 10 HG LEU 10 10.112 0.206 3.762 78 HD11 LEU 10 HD11 LEU 10 8.518 -2.356 4.112 79 HD12 LEU 10 HD12 LEU 10 10.258 -2.262 3.770 80 HD13 LEU 10 HD13 LEU 10 9.621 -1.629 5.290 81 HD21 LEU 10 HD21 LEU 10 8.941 0.301 1.551 82 HD22 LEU 10 HD22 LEU 10 10.050 -1.062 1.697 83 HD23 LEU 10 HD23 LEU 10 8.303 -1.331 1.854 84 H GLN 11 H GLN 11 6.995 3.402 5.638 85 HA GLN 11 HA GLN 11 4.246 3.454 4.578 86 HB2 GLN 11 HB2 GLN 11 5.555 4.270 7.142 87 HB3 GLN 11 HB3 GLN 11 3.957 4.884 6.742 88 HG2 GLN 11 HG2 GLN 11 3.051 2.648 6.450 89 HG3 GLN 11 HG3 GLN 11 4.642 1.913 6.680 90 HE21 GLN 11 HE22 GLN 11 5.434 1.657 8.785 91 HE22 GLN 11 HE21 GLN 11 4.508 2.240 10.184 92 H ALA 12 H ALA 12 3.058 5.459 4.377 93 HA ALA 12 HA ALA 12 4.618 7.334 2.670 94 HB1 ALA 12 HB1 ALA 12 2.513 7.591 1.429 95 HB2 ALA 12 HB2 ALA 12 3.000 5.892 1.539 96 HB3 ALA 12 HB3 ALA 12 1.698 6.513 2.584 97 H THR 13 H THR 13 3.990 9.522 2.434 98 HA THR 13 HA THR 13 2.987 10.881 4.858 99 HB THR 13 HB THR 13 3.577 12.932 3.498 100 HG1 THR 13 HG1 THR 13 4.672 12.653 1.621 101 HG21 THR 13 HG21 THR 13 6.004 12.650 3.654 102 HG22 THR 13 HG22 THR 13 5.215 11.943 5.074 103 HG23 THR 13 HG23 THR 13 5.826 10.889 3.779 104 H GLU 14 H GLU 14 2.076 10.688 1.403 105 HA GLU 14 HA GLU 14 -0.695 11.468 2.075 106 HB2 GLU 14 HB2 GLU 14 -0.753 13.188 0.345 107 HB3 GLU 14 HB3 GLU 14 0.429 13.560 1.600 108 HG2 GLU 14 HG2 GLU 14 2.243 12.748 0.062 109 HG3 GLU 14 HG3 GLU 14 1.017 12.460 -1.177 110 H ALA 15 H ALA 15 -2.263 11.129 0.382 111 HA ALA 15 HA ALA 15 -1.540 9.189 -1.742 112 HB1 ALA 15 HB1 ALA 15 -3.288 7.623 -1.001 113 HB2 ALA 15 HB2 ALA 15 -2.060 7.834 0.262 114 HB3 ALA 15 HB3 ALA 15 -3.635 8.650 0.409 115 H THR 16 H THR 16 -3.175 8.916 -3.358 116 HA THR 16 HA THR 16 -4.955 11.295 -3.650 117 HB THR 16 HB THR 16 -3.975 9.362 -5.761 118 HG1 THR 16 HG1 THR 16 -2.398 10.802 -5.001 119 HG21 THR 16 HG21 THR 16 -6.168 10.312 -6.410 120 HG22 THR 16 HG22 THR 16 -5.601 11.941 -5.978 121 HG23 THR 16 HG23 THR 16 -4.873 11.060 -7.347 122 H ILE 17 H ILE 17 -6.951 11.018 -2.885 123 HA ILE 17 HA ILE 17 -8.427 8.453 -3.091 124 HB ILE 17 HB ILE 17 -9.325 11.195 -2.105 125 HG12 ILE 17 HG12 ILE 17 -8.453 8.770 -0.495 126 HG13 ILE 17 HG13 ILE 17 -7.581 10.290 -0.637 127 HG21 ILE 17 HG21 ILE 17 -10.694 8.475 -1.883 128 HG22 ILE 17 HG22 ILE 17 -11.284 9.996 -1.167 129 HG23 ILE 17 HG23 ILE 17 -11.232 9.838 -2.894 130 HD11 ILE 17 HD11 ILE 17 -10.259 9.865 0.752 131 HD12 ILE 17 HD12 ILE 17 -8.707 10.187 1.497 132 HD13 ILE 17 HD13 ILE 17 -9.478 11.450 0.508 133 H VAL 18 H VAL 18 -10.053 8.088 -4.611 134 HA VAL 18 HA VAL 18 -10.670 10.339 -6.500 135 HB VAL 18 HB VAL 18 -10.390 7.476 -7.377 136 HG11 VAL 18 HG11 VAL 18 -10.847 10.045 -8.933 137 HG12 VAL 18 HG12 VAL 18 -10.485 8.463 -9.654 138 HG13 VAL 18 HG13 VAL 18 -11.985 8.693 -8.762 139 HG21 VAL 18 HG21 VAL 18 -8.447 9.774 -7.561 140 HG22 VAL 18 HG22 VAL 18 -8.184 8.161 -6.894 141 HG23 VAL 18 HG23 VAL 18 -8.382 8.366 -8.641 142 H THR 19 H THR 19 -12.619 10.771 -6.996 143 HA THR 19 HA THR 19 -14.906 9.320 -5.718 144 HB THR 19 HB THR 19 -14.520 12.322 -6.057 145 HG1 THR 19 HG1 THR 19 -13.685 12.461 -4.212 146 HG21 THR 19 HG21 THR 19 -16.492 10.702 -4.387 147 HG22 THR 19 HG22 THR 19 -16.272 12.465 -4.277 148 HG23 THR 19 HG23 THR 19 -16.873 11.754 -5.773 149 H LEU 20 H LEU 20 -16.789 9.144 -6.910 150 HA LEU 20 HA LEU 20 -16.916 10.423 -9.611 151 HB2 LEU 20 HB2 LEU 20 -18.655 8.217 -8.450 152 HB3 LEU 20 HB3 LEU 20 -18.723 8.864 -10.085 153 HG LEU 20 HG LEU 20 -16.365 7.331 -8.903 154 HD11 LEU 20 HD11 LEU 20 -18.488 6.482 -10.915 155 HD12 LEU 20 HD12 LEU 20 -17.094 5.518 -10.389 156 HD13 LEU 20 HD13 LEU 20 -18.370 5.934 -9.234 157 HD21 LEU 20 HD21 LEU 20 -15.569 7.216 -11.247 158 HD22 LEU 20 HD22 LEU 20 -16.894 8.288 -11.754 159 HD23 LEU 20 HD23 LEU 20 -15.624 8.882 -10.665 160 H ASP 21 H ASP 21 -18.305 12.085 -9.977 161 HA ASP 21 HA ASP 21 -20.139 12.903 -7.754 162 HB2 ASP 21 HB2 ASP 21 -17.705 14.177 -8.577 163 HB3 ASP 21 HB3 ASP 21 -18.995 15.181 -9.137 164 H SER 22 H SER 22 -20.827 11.565 -10.363 165 HA SER 22 HA SER 22 -23.114 13.319 -10.928 166 HB2 SER 22 HB2 SER 22 -21.201 12.752 -13.215 167 HB3 SER 22 HB3 SER 22 -22.841 13.387 -13.398 168 HG SER 22 HG SER 22 -21.431 14.771 -11.529 169 H ASP 23 H ASP 23 -21.768 10.741 -12.994 170 HA ASP 23 HA ASP 23 -23.622 8.733 -12.189 171 HB2 ASP 23 HB2 ASP 23 -25.218 10.235 -13.443 172 HB3 ASP 23 HB3 ASP 23 -24.239 10.030 -14.892 173 H ASN 24 H ASN 24 -21.113 8.510 -12.160 174 HA ASN 24 HA ASN 24 -19.167 7.560 -12.789 175 HB2 ASN 24 HB2 ASN 24 -20.428 5.563 -13.114 176 HB3 ASN 24 HB3 ASN 24 -20.950 6.051 -14.718 177 HD21 ASN 24 HD22 ASN 24 -18.635 4.206 -13.132 178 HD22 ASN 24 HD21 ASN 24 -17.720 3.980 -14.645 179 H ILE 25 H ILE 25 -20.833 9.184 -15.455 180 HA ILE 25 HA ILE 25 -18.708 9.526 -17.230 181 HB ILE 25 HB ILE 25 -20.003 11.446 -18.069 182 HG12 ILE 25 HG12 ILE 25 -21.806 11.059 -15.635 183 HG13 ILE 25 HG13 ILE 25 -20.705 12.414 -15.882 184 HG21 ILE 25 HG21 ILE 25 -21.939 10.198 -18.743 185 HG22 ILE 25 HG22 ILE 25 -20.595 9.061 -18.582 186 HG23 ILE 25 HG23 ILE 25 -21.847 9.143 -17.323 187 HD11 ILE 25 HD11 ILE 25 -21.983 13.047 -17.940 188 HD12 ILE 25 HD12 ILE 25 -23.164 11.770 -17.553 189 HD13 ILE 25 HD13 ILE 25 -22.930 13.127 -16.441 190 H LEU 26 H LEU 26 -18.575 10.676 -14.137 191 HA LEU 26 HA LEU 26 -16.686 12.885 -14.810 192 HB2 LEU 26 HB2 LEU 26 -18.846 13.859 -14.438 193 HB3 LEU 26 HB3 LEU 26 -18.986 13.072 -12.866 194 HG LEU 26 HG LEU 26 -16.464 14.662 -13.220 195 HD11 LEU 26 HD11 LEU 26 -19.183 16.014 -13.072 196 HD12 LEU 26 HD12 LEU 26 -17.605 16.804 -12.883 197 HD13 LEU 26 HD13 LEU 26 -18.041 16.064 -14.445 198 HD21 LEU 26 HD21 LEU 26 -17.104 13.684 -11.057 199 HD22 LEU 26 HD22 LEU 26 -17.086 15.449 -10.983 200 HD23 LEU 26 HD23 LEU 26 -18.636 14.594 -11.143 201 H LEU 27 H LEU 27 -14.984 12.731 -13.849 202 HA LEU 27 HA LEU 27 -14.523 11.164 -11.309 203 HB2 LEU 27 HB2 LEU 27 -12.780 11.373 -13.782 204 HB3 LEU 27 HB3 LEU 27 -12.099 11.010 -12.207 205 HG LEU 27 HG LEU 27 -13.521 8.997 -12.008 206 HD11 LEU 27 HD11 LEU 27 -15.403 9.415 -13.496 207 HD12 LEU 27 HD12 LEU 27 -14.316 9.623 -14.889 208 HD13 LEU 27 HD13 LEU 27 -14.512 8.037 -14.114 209 HD21 LEU 27 HD21 LEU 27 -11.207 8.905 -12.867 210 HD22 LEU 27 HD22 LEU 27 -12.223 7.666 -13.610 211 HD23 LEU 27 HD23 LEU 27 -11.810 9.135 -14.524 212 H SER 28 H SER 28 -13.560 12.094 -9.670 213 HA SER 28 HA SER 28 -12.200 14.753 -9.859 214 HB2 SER 28 HB2 SER 28 -14.595 15.040 -9.269 215 HB3 SER 28 HB3 SER 28 -14.415 13.863 -7.963 216 HG SER 28 HG SER 28 -14.214 15.687 -6.968 217 H GLU 29 H GLU 29 -10.392 14.905 -8.420 218 HA GLU 29 HA GLU 29 -9.879 12.497 -6.714 219 HB2 GLU 29 HB2 GLU 29 -7.755 14.013 -8.216 220 HB3 GLU 29 HB3 GLU 29 -7.627 12.474 -7.337 221 HG2 GLU 29 HG2 GLU 29 -8.954 11.328 -8.985 222 HG3 GLU 29 HG3 GLU 29 -9.286 12.821 -9.857 223 H GLU 30 H GLU 30 -8.710 12.801 -4.805 224 HA GLU 30 HA GLU 30 -8.038 15.609 -3.959 225 HB2 GLU 30 HB2 GLU 30 -9.051 13.477 -2.058 226 HB3 GLU 30 HB3 GLU 30 -8.741 15.167 -1.712 227 HG2 GLU 30 HG2 GLU 30 -10.962 14.004 -3.419 228 HG3 GLU 30 HG3 GLU 30 -11.123 14.700 -1.812 229 H GLN 31 H GLN 31 -5.895 15.883 -3.257 230 HA GLN 31 HA GLN 31 -4.265 13.468 -2.681 231 HB2 GLN 31 HB2 GLN 31 -3.593 16.405 -3.160 232 HB3 GLN 31 HB3 GLN 31 -2.432 15.156 -2.689 233 HG2 GLN 31 HG2 GLN 31 -2.822 13.937 -4.741 234 HG3 GLN 31 HG3 GLN 31 -4.072 15.088 -5.266 235 HE21 GLN 31 HE21 GLN 31 -0.620 16.062 -4.091 236 HE22 GLN 31 HE22 GLN 31 -0.659 14.595 -4.732 237 H VAL 32 H VAL 32 -4.417 12.868 -0.548 238 HA VAL 32 HA VAL 32 -4.783 15.009 1.525 239 HB VAL 32 HB VAL 32 -6.169 13.600 2.783 240 HG11 VAL 32 HG11 VAL 32 -7.184 13.388 -0.072 241 HG12 VAL 32 HG12 VAL 32 -8.141 13.423 1.419 242 HG13 VAL 32 HG13 VAL 32 -7.240 14.866 0.919 243 HG21 VAL 32 HG21 VAL 32 -6.931 11.378 2.110 244 HG22 VAL 32 HG22 VAL 32 -5.850 11.405 0.694 245 HG23 VAL 32 HG23 VAL 32 -5.190 11.372 2.345 246 H ASP 33 H ASP 33 -3.858 14.698 3.586 247 HA ASP 33 HA ASP 33 -1.374 13.155 3.658 248 HB2 ASP 33 HB2 ASP 33 -2.926 14.552 5.867 249 HB3 ASP 33 HB3 ASP 33 -1.362 13.779 6.082 250 H VAL 34 H VAL 34 -0.942 11.267 4.849 251 HA VAL 34 HA VAL 34 -2.841 9.267 4.492 252 HB VAL 34 HB VAL 34 -0.355 9.069 4.527 253 HG11 VAL 34 HG11 VAL 34 0.095 10.121 6.717 254 HG12 VAL 34 HG12 VAL 34 -0.702 8.759 7.544 255 HG13 VAL 34 HG13 VAL 34 0.770 8.492 6.609 256 HG21 VAL 34 HG21 VAL 34 -1.739 6.894 6.131 257 HG22 VAL 34 HG22 VAL 34 -1.838 7.078 4.366 258 HG23 VAL 34 HG23 VAL 34 -0.278 6.755 5.139 259 H GLU 35 H GLU 35 -2.635 11.208 7.365 260 HA GLU 35 HA GLU 35 -4.143 9.454 9.124 261 HB2 GLU 35 HB2 GLU 35 -3.762 12.398 9.082 262 HB3 GLU 35 HB3 GLU 35 -4.590 11.547 10.352 263 HG2 GLU 35 HG2 GLU 35 -2.448 11.803 11.234 264 HG3 GLU 35 HG3 GLU 35 -2.438 10.141 10.652 265 H LEU 36 H LEU 36 -5.069 11.432 6.414 266 HA LEU 36 HA LEU 36 -7.832 11.827 7.329 267 HB2 LEU 36 HB2 LEU 36 -6.419 12.851 4.871 268 HB3 LEU 36 HB3 LEU 36 -7.906 13.481 5.577 269 HG LEU 36 HG LEU 36 -5.135 13.588 6.887 270 HD11 LEU 36 HD11 LEU 36 -6.765 15.821 5.662 271 HD12 LEU 36 HD12 LEU 36 -5.136 15.900 6.380 272 HD13 LEU 36 HD13 LEU 36 -5.393 15.001 4.884 273 HD21 LEU 36 HD21 LEU 36 -6.892 13.549 8.604 274 HD22 LEU 36 HD22 LEU 36 -6.193 15.167 8.468 275 HD23 LEU 36 HD23 LEU 36 -7.785 14.828 7.749 276 H VAL 37 H VAL 37 -6.362 9.416 5.608 277 HA VAL 37 HA VAL 37 -8.722 8.754 3.924 278 HB VAL 37 HB VAL 37 -6.739 8.409 2.743 279 HG11 VAL 37 HG11 VAL 37 -5.036 8.357 4.447 280 HG12 VAL 37 HG12 VAL 37 -5.640 6.811 5.091 281 HG13 VAL 37 HG13 VAL 37 -4.902 6.895 3.477 282 HG21 VAL 37 HG21 VAL 37 -8.407 6.609 2.521 283 HG22 VAL 37 HG22 VAL 37 -6.755 6.040 2.228 284 HG23 VAL 37 HG23 VAL 37 -7.555 5.654 3.757 285 H GLN 38 H GLN 38 -10.118 7.123 4.403 286 HA GLN 38 HA GLN 38 -9.899 5.874 7.117 287 HB2 GLN 38 HB2 GLN 38 -12.253 5.981 7.292 288 HB3 GLN 38 HB3 GLN 38 -11.783 7.518 6.590 289 HG2 GLN 38 HG2 GLN 38 -12.410 6.451 4.306 290 HG3 GLN 38 HG3 GLN 38 -13.078 5.115 5.236 291 HE21 GLN 38 HE22 GLN 38 -14.988 5.507 6.439 292 HE22 GLN 38 HE21 GLN 38 -15.746 7.112 6.367 293 H ARG 39 H ARG 39 -10.814 3.670 7.333 294 HA ARG 39 HA ARG 39 -10.008 1.860 5.242 295 HB2 ARG 39 HB2 ARG 39 -10.534 0.139 6.776 296 HB3 ARG 39 HB3 ARG 39 -9.833 1.467 7.690 297 HG2 ARG 39 HG2 ARG 39 -12.422 2.105 8.015 298 HG3 ARG 39 HG3 ARG 39 -12.646 0.400 7.648 299 HD2 ARG 39 HD2 ARG 39 -11.110 -0.215 9.515 300 HD3 ARG 39 HD3 ARG 39 -10.867 1.496 9.854 301 HE ARG 39 HE ARG 39 -12.885 1.576 10.980 302 HH11 ARG 39 HH11 ARG 39 -12.914 -1.488 9.238 303 HH12 ARG 39 HH12 ARG 39 -14.452 -1.941 9.955 304 HH21 ARG 39 HH21 ARG 39 -14.694 0.952 11.830 305 HH22 ARG 39 HH22 ARG 39 -15.456 -0.579 11.386 306 H GLY 40 H GLY 40 -11.777 3.524 4.109 307 HA2 GLY 40 HA2 GLY 40 -13.783 1.805 2.866 308 HA3 GLY 40 HA3 GLY 40 -14.466 3.106 3.848 309 H ASP 41 H ASP 41 -11.466 4.114 2.391 310 HA ASP 41 HA ASP 41 -12.900 5.521 0.185 311 HB2 ASP 41 HB2 ASP 41 -10.173 5.900 1.447 312 HB3 ASP 41 HB3 ASP 41 -10.735 6.799 0.042 313 H ILE 42 H ILE 42 -11.745 5.741 -1.898 314 HA ILE 42 HA ILE 42 -10.344 3.240 -2.763 315 HB ILE 42 HB ILE 42 -12.011 5.123 -4.435 316 HG12 ILE 42 HG12 ILE 42 -13.538 3.952 -2.982 317 HG13 ILE 42 HG13 ILE 42 -13.630 3.313 -4.608 318 HG21 ILE 42 HG21 ILE 42 -10.627 2.481 -5.079 319 HG22 ILE 42 HG22 ILE 42 -11.799 3.299 -6.139 320 HG23 ILE 42 HG23 ILE 42 -10.268 4.082 -5.753 321 HD11 ILE 42 HD11 ILE 42 -12.266 1.956 -2.259 322 HD12 ILE 42 HD12 ILE 42 -13.802 1.506 -3.005 323 HD13 ILE 42 HD13 ILE 42 -12.299 1.327 -3.926 324 H ILE 43 H ILE 43 -8.182 3.549 -3.182 325 HA ILE 43 HA ILE 43 -7.188 6.264 -3.758 326 HB ILE 43 HB ILE 43 -5.792 3.794 -2.661 327 HG12 ILE 43 HG12 ILE 43 -7.464 4.376 -1.031 328 HG13 ILE 43 HG13 ILE 43 -5.877 4.811 -0.432 329 HG21 ILE 43 HG21 ILE 43 -4.182 5.335 -3.627 330 HG22 ILE 43 HG22 ILE 43 -4.895 6.702 -2.755 331 HG23 ILE 43 HG23 ILE 43 -4.065 5.405 -1.871 332 HD11 ILE 43 HD11 ILE 43 -7.893 6.768 -1.616 333 HD12 ILE 43 HD12 ILE 43 -7.574 6.520 0.098 334 HD13 ILE 43 HD13 ILE 43 -6.305 7.198 -0.937 335 H LYS 44 H LYS 44 -6.285 6.727 -5.714 336 HA LYS 44 HA LYS 44 -5.523 4.621 -7.626 337 HB2 LYS 44 HB2 LYS 44 -6.725 6.597 -8.295 338 HB3 LYS 44 HB3 LYS 44 -5.352 7.622 -7.835 339 HG2 LYS 44 HG2 LYS 44 -3.937 6.616 -9.505 340 HG3 LYS 44 HG3 LYS 44 -5.090 5.309 -9.820 341 HD2 LYS 44 HD2 LYS 44 -5.755 8.222 -10.300 342 HD3 LYS 44 HD3 LYS 44 -4.955 7.191 -11.514 343 HE2 LYS 44 HE2 LYS 44 -6.848 5.582 -11.358 344 HE3 LYS 44 HE3 LYS 44 -7.692 6.688 -10.263 345 HZ1 LYS 44 HZ1 LYS 44 -6.877 7.384 -13.030 346 HZ2 LYS 44 HZ2 LYS 44 -8.393 6.883 -12.597 347 HZ3 LYS 44 HZ3 LYS 44 -7.785 8.314 -12.063 348 H VAL 45 H VAL 45 -3.522 3.848 -8.128 349 HA VAL 45 HA VAL 45 -1.140 5.307 -7.087 350 HB VAL 45 HB VAL 45 -1.660 3.166 -5.957 351 HG11 VAL 45 HG11 VAL 45 -0.916 1.842 -8.595 352 HG12 VAL 45 HG12 VAL 45 -1.187 1.034 -7.043 353 HG13 VAL 45 HG13 VAL 45 -2.528 1.875 -7.837 354 HG21 VAL 45 HG21 VAL 45 0.645 4.024 -5.962 355 HG22 VAL 45 HG22 VAL 45 0.624 2.259 -6.006 356 HG23 VAL 45 HG23 VAL 45 0.983 3.173 -7.485 357 H VAL 46 H VAL 46 0.488 5.830 -8.414 358 HA VAL 46 HA VAL 46 -0.013 5.565 -11.299 359 HB VAL 46 HB VAL 46 1.585 7.357 -11.576 360 HG11 VAL 46 HG11 VAL 46 -0.196 8.013 -9.209 361 HG12 VAL 46 HG12 VAL 46 0.416 9.110 -10.463 362 HG13 VAL 46 HG13 VAL 46 -0.760 7.862 -10.891 363 HG21 VAL 46 HG21 VAL 46 2.175 7.167 -8.609 364 HG22 VAL 46 HG22 VAL 46 3.295 6.814 -9.932 365 HG23 VAL 46 HG23 VAL 46 2.699 8.460 -9.696 366 HA PRO 47 HA PRO 47 3.430 2.875 -12.388 367 HB2 PRO 47 HB2 PRO 47 4.551 4.143 -14.585 368 HB3 PRO 47 HB3 PRO 47 3.076 3.132 -14.631 369 HG2 PRO 47 HG2 PRO 47 3.259 6.155 -14.398 370 HG3 PRO 47 HG3 PRO 47 2.227 5.190 -15.504 371 HD2 PRO 47 HD2 PRO 47 1.193 6.168 -13.246 372 HD3 PRO 47 HD3 PRO 47 0.814 4.496 -13.719 373 H GLY 48 H GLY 48 5.195 2.717 -11.264 374 HA2 GLY 48 HA2 GLY 48 7.299 3.103 -10.458 375 HA3 GLY 48 HA3 GLY 48 7.274 4.776 -11.027 376 H GLY 49 H GLY 49 4.389 4.448 -9.368 377 HA2 GLY 49 HA2 GLY 49 5.348 5.791 -6.962 378 HA3 GLY 49 HA3 GLY 49 3.687 5.374 -7.371 379 H LYS 50 H LYS 50 4.390 5.129 -4.816 380 HA LYS 50 HA LYS 50 4.753 2.191 -4.314 381 HB2 LYS 50 HB2 LYS 50 5.241 4.518 -2.416 382 HB3 LYS 50 HB3 LYS 50 5.436 2.800 -2.047 383 HG2 LYS 50 HG2 LYS 50 7.190 2.662 -3.848 384 HG3 LYS 50 HG3 LYS 50 7.088 4.427 -4.022 385 HD2 LYS 50 HD2 LYS 50 7.673 4.667 -1.595 386 HD3 LYS 50 HD3 LYS 50 7.806 2.899 -1.482 387 HE2 LYS 50 HE2 LYS 50 9.580 3.017 -3.296 388 HE3 LYS 50 HE3 LYS 50 9.541 4.778 -3.145 389 HZ1 LYS 50 HZ1 LYS 50 10.230 4.567 -0.856 390 HZ2 LYS 50 HZ2 LYS 50 10.115 2.907 -0.913 391 HZ3 LYS 50 HZ3 LYS 50 11.279 3.668 -1.756 392 H PHE 51 H PHE 51 3.442 1.136 -2.829 393 HA PHE 51 HA PHE 51 0.698 2.099 -2.657 394 HB2 PHE 51 HB2 PHE 51 2.069 -0.371 -1.591 395 HB3 PHE 51 HB3 PHE 51 0.373 -0.018 -1.300 396 HD1 PHE 51 HD2 PHE 51 2.849 -0.981 -3.870 397 HD2 PHE 51 HD1 PHE 51 -1.294 -0.141 -3.094 398 HE1 PHE 51 HE2 PHE 51 2.260 -1.967 -6.048 399 HE2 PHE 51 HE1 PHE 51 -1.897 -1.168 -5.285 400 HZ PHE 51 HZ PHE 51 -0.114 -2.069 -6.768 401 HA PRO 52 HA PRO 52 1.475 4.044 1.329 402 HB2 PRO 52 HB2 PRO 52 -0.716 5.592 1.553 403 HB3 PRO 52 HB3 PRO 52 0.451 5.807 0.213 404 HG2 PRO 52 HG2 PRO 52 -2.182 4.300 0.156 405 HG3 PRO 52 HG3 PRO 52 -1.572 5.514 -1.011 406 HD2 PRO 52 HD2 PRO 52 -1.308 2.782 -1.372 407 HD3 PRO 52 HD3 PRO 52 -0.155 3.988 -2.017 408 H VAL 53 H VAL 53 -1.070 1.710 1.046 409 HA VAL 53 HA VAL 53 -1.148 1.184 3.890 410 HB VAL 53 HB VAL 53 -3.710 1.042 3.882 411 HG11 VAL 53 HG11 VAL 53 -2.518 3.830 3.990 412 HG12 VAL 53 HG12 VAL 53 -3.990 3.244 4.788 413 HG13 VAL 53 HG13 VAL 53 -2.412 2.616 5.283 414 HG21 VAL 53 HG21 VAL 53 -4.011 1.587 1.445 415 HG22 VAL 53 HG22 VAL 53 -4.950 2.611 2.555 416 HG23 VAL 53 HG23 VAL 53 -3.476 3.250 1.812 417 H ASP 54 H ASP 54 -2.707 -0.884 4.175 418 HA ASP 54 HA ASP 54 -2.137 -2.628 1.831 419 HB2 ASP 54 HB2 ASP 54 -1.487 -4.329 3.000 420 HB3 ASP 54 HB3 ASP 54 -0.935 -3.089 4.104 421 H GLY 55 H GLY 55 -3.633 -3.923 0.925 422 HA2 GLY 55 HA2 GLY 55 -6.306 -4.319 1.824 423 HA3 GLY 55 HA3 GLY 55 -6.268 -2.802 0.935 424 H ARG 56 H ARG 56 -7.723 -3.759 -0.552 425 HA ARG 56 HA ARG 56 -6.551 -5.793 -2.420 426 HB2 ARG 56 HB2 ARG 56 -8.546 -6.444 -1.015 427 HB3 ARG 56 HB3 ARG 56 -9.507 -5.300 -1.957 428 HG2 ARG 56 HG2 ARG 56 -9.010 -6.580 -4.024 429 HG3 ARG 56 HG3 ARG 56 -7.919 -7.634 -3.112 430 HD2 ARG 56 HD2 ARG 56 -9.949 -8.806 -3.459 431 HD3 ARG 56 HD3 ARG 56 -9.816 -8.443 -1.743 432 HE ARG 56 HE ARG 56 -11.461 -6.611 -2.067 433 HH11 ARG 56 HH11 ARG 56 -11.673 -9.272 -4.376 434 HH12 ARG 56 HH12 ARG 56 -13.251 -8.743 -4.892 435 HH21 ARG 56 HH21 ARG 56 -13.387 -6.128 -2.684 436 HH22 ARG 56 HH22 ARG 56 -14.073 -6.799 -4.170 437 H VAL 57 H VAL 57 -6.623 -5.593 -4.588 438 HA VAL 57 HA VAL 57 -7.035 -2.900 -5.778 439 HB VAL 57 HB VAL 57 -5.691 -5.444 -6.777 440 HG11 VAL 57 HG11 VAL 57 -4.974 -4.119 -8.744 441 HG12 VAL 57 HG12 VAL 57 -6.710 -4.361 -8.726 442 HG13 VAL 57 HG13 VAL 57 -6.039 -2.787 -8.238 443 HG21 VAL 57 HG21 VAL 57 -4.531 -2.683 -6.235 444 HG22 VAL 57 HG22 VAL 57 -4.410 -4.063 -5.123 445 HG23 VAL 57 HG23 VAL 57 -3.644 -4.148 -6.711 446 H ILE 58 H ILE 58 -8.743 -2.509 -7.067 447 HA ILE 58 HA ILE 58 -10.293 -4.771 -8.251 448 HB ILE 58 HB ILE 58 -12.421 -3.569 -7.476 449 HG12 ILE 58 HG12 ILE 58 -10.630 -2.576 -5.245 450 HG13 ILE 58 HG13 ILE 58 -11.051 -1.539 -6.628 451 HG21 ILE 58 HG21 ILE 58 -11.674 -5.786 -6.653 452 HG22 ILE 58 HG22 ILE 58 -10.777 -4.979 -5.345 453 HG23 ILE 58 HG23 ILE 58 -12.538 -4.845 -5.435 454 HD11 ILE 58 HD11 ILE 58 -12.603 -1.014 -4.882 455 HD12 ILE 58 HD12 ILE 58 -13.485 -1.893 -6.137 456 HD13 ILE 58 HD13 ILE 58 -13.017 -2.723 -4.629 457 H GLU 59 H GLU 59 -8.463 -2.787 -9.358 458 HA GLU 59 HA GLU 59 -9.950 -2.436 -11.791 459 HB2 GLU 59 HB2 GLU 59 -10.528 -0.306 -10.452 460 HB3 GLU 59 HB3 GLU 59 -8.816 0.068 -10.456 461 HG2 GLU 59 HG2 GLU 59 -9.940 1.306 -12.213 462 HG3 GLU 59 HG3 GLU 59 -8.819 0.167 -12.933 463 H GLY 60 H GLY 60 -8.463 -2.764 -13.440 464 HA2 GLY 60 HA2 GLY 60 -6.547 -2.246 -14.695 465 HA3 GLY 60 HA3 GLY 60 -5.784 -1.541 -13.281 466 H HIS 61 H HIS 61 -4.061 -2.790 -14.448 467 HA HIS 61 HA HIS 61 -3.596 -5.484 -13.278 468 HB2 HIS 61 HB2 HIS 61 -3.195 -6.325 -15.744 469 HB3 HIS 61 HB3 HIS 61 -4.794 -6.328 -15.023 470 HD1 HIS 61 HD1 HIS 61 -6.676 -5.087 -16.349 471 HD2 HIS 61 HD2 HIS 61 -2.752 -4.021 -17.468 472 HE1 HIS 61 HE1 HIS 61 -6.896 -3.456 -18.277 473 H SER 62 H SER 62 -1.720 -4.842 -12.322 474 HA SER 62 HA SER 62 0.503 -3.732 -13.990 475 HB2 SER 62 HB2 SER 62 -0.928 -2.284 -12.157 476 HB3 SER 62 HB3 SER 62 0.394 -2.876 -11.154 477 HG SER 62 HG SER 62 1.718 -1.921 -12.980 478 H MET 63 H MET 63 2.719 -3.851 -12.854 479 HA MET 63 HA MET 63 2.958 -6.482 -11.495 480 HB2 MET 63 HB2 MET 63 3.720 -6.441 -13.802 481 HB3 MET 63 HB3 MET 63 4.817 -5.095 -13.454 482 HG2 MET 63 HG2 MET 63 6.242 -6.433 -12.178 483 HG3 MET 63 HG3 MET 63 5.015 -7.667 -11.876 484 HE1 MET 63 HE1 MET 63 5.057 -10.018 -14.816 485 HE2 MET 63 HE2 MET 63 4.841 -9.828 -13.062 486 HE3 MET 63 HE3 MET 63 3.822 -8.902 -14.192 487 H VAL 64 H VAL 64 3.878 -6.525 -9.606 488 HA VAL 64 HA VAL 64 4.900 -3.998 -8.418 489 HB VAL 64 HB VAL 64 3.123 -6.162 -7.242 490 HG11 VAL 64 HG11 VAL 64 4.127 -3.610 -5.913 491 HG12 VAL 64 HG12 VAL 64 2.849 -4.661 -5.292 492 HG13 VAL 64 HG13 VAL 64 4.495 -5.279 -5.423 493 HG21 VAL 64 HG21 VAL 64 1.886 -4.712 -8.767 494 HG22 VAL 64 HG22 VAL 64 1.464 -4.274 -7.111 495 HG23 VAL 64 HG23 VAL 64 2.597 -3.266 -8.030 496 H ASP 65 H ASP 65 6.566 -3.957 -7.015 497 HA ASP 65 HA ASP 65 8.136 -6.472 -6.604 498 HB2 ASP 65 HB2 ASP 65 9.348 -4.731 -7.757 499 HB3 ASP 65 HB3 ASP 65 8.957 -3.555 -6.495 500 H GLU 66 H GLU 66 7.547 -7.448 -4.781 501 HA GLU 66 HA GLU 66 6.932 -5.924 -2.316 502 HB2 GLU 66 HB2 GLU 66 6.462 -8.852 -2.898 503 HB3 GLU 66 HB3 GLU 66 5.816 -7.870 -1.559 504 HG2 GLU 66 HG2 GLU 66 4.559 -6.512 -3.254 505 HG3 GLU 66 HG3 GLU 66 5.051 -7.680 -4.491 506 H SER 67 H SER 67 9.747 -6.391 -3.195 507 HA SER 67 HA SER 67 11.161 -8.407 -2.196 508 HB2 SER 67 HB2 SER 67 13.056 -6.778 -2.186 509 HB3 SER 67 HB3 SER 67 12.046 -6.685 -3.642 510 HG SER 67 HG SER 67 12.654 -4.646 -2.488 511 H LEU 68 H LEU 68 9.605 -6.399 0.080 512 HA LEU 68 HA LEU 68 11.471 -7.295 2.217 513 HB2 LEU 68 HB2 LEU 68 11.675 -4.825 1.602 514 HB3 LEU 68 HB3 LEU 68 10.058 -4.604 2.231 515 HG LEU 68 HG LEU 68 11.849 -3.907 3.755 516 HD11 LEU 68 HD11 LEU 68 9.673 -4.689 4.715 517 HD12 LEU 68 HD12 LEU 68 10.427 -6.272 5.014 518 HD13 LEU 68 HD13 LEU 68 11.062 -4.829 5.805 519 HD21 LEU 68 HD21 LEU 68 13.542 -5.610 3.137 520 HD22 LEU 68 HD22 LEU 68 13.324 -5.414 4.888 521 HD23 LEU 68 HD23 LEU 68 12.627 -6.820 4.069 522 H ILE 69 H ILE 69 8.136 -6.162 1.514 523 HA ILE 69 HA ILE 69 7.180 -7.024 4.085 524 HB ILE 69 HB ILE 69 5.285 -6.850 1.740 525 HG12 ILE 69 HG12 ILE 69 6.399 -4.767 1.534 526 HG13 ILE 69 HG13 ILE 69 4.843 -4.499 2.275 527 HG21 ILE 69 HG21 ILE 69 5.023 -6.420 4.752 528 HG22 ILE 69 HG22 ILE 69 3.732 -6.093 3.589 529 HG23 ILE 69 HG23 ILE 69 4.327 -7.737 3.793 530 HD11 ILE 69 HD11 ILE 69 7.501 -4.469 3.733 531 HD12 ILE 69 HD12 ILE 69 6.497 -3.074 3.270 532 HD13 ILE 69 HD13 ILE 69 5.908 -4.221 4.489 533 H THR 70 H THR 70 6.555 -8.678 0.915 534 HA THR 70 HA THR 70 5.987 -11.203 2.383 535 HB THR 70 HB THR 70 5.278 -12.048 0.161 536 HG1 THR 70 HG1 THR 70 4.994 -10.197 -1.395 537 HG21 THR 70 HG21 THR 70 3.618 -10.929 1.671 538 HG22 THR 70 HG22 THR 70 3.946 -9.387 0.845 539 HG23 THR 70 HG23 THR 70 3.238 -10.748 -0.048 540 H GLY 71 H GLY 71 8.608 -9.634 0.845 541 HA2 GLY 71 HA2 GLY 71 10.803 -10.237 0.809 542 HA3 GLY 71 HA3 GLY 71 10.375 -11.760 1.587 543 H GLU 72 H GLU 72 8.689 -11.424 -1.265 544 HA GLU 72 HA GLU 72 9.653 -13.702 -2.442 545 HB2 GLU 72 HB2 GLU 72 8.431 -11.370 -3.964 546 HB3 GLU 72 HB3 GLU 72 8.471 -13.050 -4.501 547 HG2 GLU 72 HG2 GLU 72 7.033 -12.141 -1.987 548 HG3 GLU 72 HG3 GLU 72 6.274 -12.281 -3.569 549 H ALA 73 H ALA 73 10.774 -10.448 -3.502 550 HA ALA 73 HA ALA 73 12.690 -9.734 -4.388 551 HB1 ALA 73 HB1 ALA 73 13.983 -12.407 -3.781 552 HB2 ALA 73 HB2 ALA 73 14.788 -10.875 -4.164 553 HB3 ALA 73 HB3 ALA 73 13.874 -11.033 -2.653 554 H MET 74 H MET 74 10.722 -10.354 -5.865 555 HA MET 74 HA MET 74 11.725 -10.751 -8.532 556 HB2 MET 74 HB2 MET 74 10.133 -12.589 -9.094 557 HB3 MET 74 HB3 MET 74 11.416 -13.123 -8.014 558 HG2 MET 74 HG2 MET 74 9.951 -13.078 -6.120 559 HG3 MET 74 HG3 MET 74 8.654 -12.296 -7.025 560 HE1 MET 74 HE1 MET 74 7.007 -13.448 -8.632 561 HE2 MET 74 HE2 MET 74 8.346 -13.862 -9.727 562 HE3 MET 74 HE3 MET 74 7.192 -15.112 -9.228 563 HA PRO 75 HA PRO 75 7.986 -8.251 -9.007 564 HB2 PRO 75 HB2 PRO 75 7.497 -8.357 -11.664 565 HB3 PRO 75 HB3 PRO 75 8.918 -7.508 -10.985 566 HG2 PRO 75 HG2 PRO 75 8.773 -10.301 -12.163 567 HG3 PRO 75 HG3 PRO 75 9.975 -9.016 -12.512 568 HD2 PRO 75 HD2 PRO 75 10.441 -11.035 -10.721 569 HD3 PRO 75 HD3 PRO 75 11.097 -9.388 -10.484 570 H VAL 76 H VAL 76 5.863 -8.546 -8.736 571 HA VAL 76 HA VAL 76 4.580 -11.178 -9.412 572 HB VAL 76 HB VAL 76 4.058 -9.375 -7.010 573 HG11 VAL 76 HG11 VAL 76 2.792 -11.327 -6.138 574 HG12 VAL 76 HG12 VAL 76 2.066 -10.695 -7.614 575 HG13 VAL 76 HG13 VAL 76 3.048 -12.177 -7.673 576 HG21 VAL 76 HG21 VAL 76 6.263 -10.436 -6.755 577 HG22 VAL 76 HG22 VAL 76 5.101 -11.192 -5.667 578 HG23 VAL 76 HG23 VAL 76 5.570 -12.022 -7.167 579 H ALA 77 H ALA 77 2.471 -11.177 -10.257 580 HA ALA 77 HA ALA 77 1.669 -8.586 -11.454 581 HB1 ALA 77 HB1 ALA 77 1.948 -10.530 -12.915 582 HB2 ALA 77 HB2 ALA 77 0.717 -11.419 -11.989 583 HB3 ALA 77 HB3 ALA 77 0.267 -9.967 -12.908 584 H LYS 78 H LYS 78 -0.092 -7.457 -10.947 585 HA LYS 78 HA LYS 78 -2.155 -8.600 -9.079 586 HB2 LYS 78 HB2 LYS 78 -1.373 -5.686 -9.407 587 HB3 LYS 78 HB3 LYS 78 -2.531 -6.339 -8.250 588 HG2 LYS 78 HG2 LYS 78 0.469 -6.863 -8.270 589 HG3 LYS 78 HG3 LYS 78 -0.382 -5.740 -7.217 590 HD2 LYS 78 HD2 LYS 78 -1.568 -7.559 -6.110 591 HD3 LYS 78 HD3 LYS 78 -0.816 -8.758 -7.186 592 HE2 LYS 78 HE2 LYS 78 1.412 -8.166 -6.322 593 HE3 LYS 78 HE3 LYS 78 0.702 -6.911 -5.295 594 HZ1 LYS 78 HZ1 LYS 78 0.192 -9.832 -5.031 595 HZ2 LYS 78 HZ2 LYS 78 1.093 -8.868 -4.019 596 HZ3 LYS 78 HZ3 LYS 78 -0.526 -8.660 -4.122 597 H LYS 79 H LYS 79 -4.341 -7.759 -9.317 598 HA LYS 79 HA LYS 79 -5.343 -6.744 -11.839 599 HB2 LYS 79 HB2 LYS 79 -6.587 -8.864 -12.379 600 HB3 LYS 79 HB3 LYS 79 -4.857 -8.907 -12.669 601 HG2 LYS 79 HG2 LYS 79 -4.526 -10.338 -10.724 602 HG3 LYS 79 HG3 LYS 79 -6.207 -10.099 -10.208 603 HD2 LYS 79 HD2 LYS 79 -5.903 -12.288 -11.304 604 HD3 LYS 79 HD3 LYS 79 -7.038 -11.258 -12.191 605 HE2 LYS 79 HE2 LYS 79 -5.253 -10.655 -13.806 606 HE3 LYS 79 HE3 LYS 79 -4.099 -11.661 -12.915 607 HZ1 LYS 79 HZ1 LYS 79 -6.542 -12.668 -14.290 608 HZ2 LYS 79 HZ2 LYS 79 -4.983 -12.843 -14.808 609 HZ3 LYS 79 HZ3 LYS 79 -5.461 -13.585 -13.451 610 HA PRO 80 HA PRO 80 -8.963 -6.094 -9.183 611 HB2 PRO 80 HB2 PRO 80 -11.119 -7.305 -10.509 612 HB3 PRO 80 HB3 PRO 80 -10.503 -5.651 -10.809 613 HG2 PRO 80 HG2 PRO 80 -9.778 -8.209 -12.285 614 HG3 PRO 80 HG3 PRO 80 -10.251 -6.620 -12.980 615 HD2 PRO 80 HD2 PRO 80 -7.663 -7.195 -12.843 616 HD3 PRO 80 HD3 PRO 80 -8.207 -5.612 -12.255 617 H GLY 81 H GLY 81 -9.577 -7.155 -7.378 618 HA2 GLY 81 HA2 GLY 81 -10.035 -8.888 -5.897 619 HA3 GLY 81 HA3 GLY 81 -10.068 -10.052 -7.223 620 H SER 82 H SER 82 -7.391 -7.774 -6.343 621 HA SER 82 HA SER 82 -5.685 -10.129 -5.582 622 HB2 SER 82 HB2 SER 82 -5.218 -9.211 -7.877 623 HB3 SER 82 HB3 SER 82 -4.860 -7.645 -7.126 624 HG SER 82 HG SER 82 -3.529 -10.105 -6.609 625 H THR 83 H THR 83 -4.319 -9.824 -3.710 626 HA THR 83 HA THR 83 -4.927 -7.369 -2.180 627 HB THR 83 HB THR 83 -3.828 -8.531 -0.282 628 HG1 THR 83 HG1 THR 83 -2.717 -10.189 -0.830 629 HG21 THR 83 HG21 THR 83 -6.291 -8.513 -0.621 630 HG22 THR 83 HG22 THR 83 -6.151 -10.026 -1.543 631 HG23 THR 83 HG23 THR 83 -5.722 -9.983 0.183 632 H VAL 84 H VAL 84 -3.480 -5.984 -1.402 633 HA VAL 84 HA VAL 84 -0.643 -6.181 -2.262 634 HB VAL 84 HB VAL 84 -0.708 -3.748 -2.825 635 HG11 VAL 84 HG11 VAL 84 -1.674 -4.014 -5.042 636 HG12 VAL 84 HG12 VAL 84 -0.774 -5.461 -4.578 637 HG13 VAL 84 HG13 VAL 84 -2.548 -5.478 -4.525 638 HG21 VAL 84 HG21 VAL 84 -2.771 -3.091 -1.623 639 HG22 VAL 84 HG22 VAL 84 -2.826 -2.655 -3.336 640 HG23 VAL 84 HG23 VAL 84 -3.740 -4.058 -2.757 641 H ILE 85 H ILE 85 0.818 -4.833 -1.180 642 HA ILE 85 HA ILE 85 0.018 -3.973 1.549 643 HB ILE 85 HB ILE 85 2.369 -4.917 2.223 644 HG12 ILE 85 HG12 ILE 85 2.879 -7.121 1.310 645 HG13 ILE 85 HG13 ILE 85 1.604 -6.980 0.107 646 HG21 ILE 85 HG21 ILE 85 -0.148 -6.600 1.971 647 HG22 ILE 85 HG22 ILE 85 1.242 -7.014 2.987 648 HG23 ILE 85 HG23 ILE 85 0.332 -5.549 3.328 649 HD11 ILE 85 HD11 ILE 85 3.884 -6.563 -0.795 650 HD12 ILE 85 HD12 ILE 85 2.798 -5.181 -1.007 651 HD13 ILE 85 HD13 ILE 85 4.028 -5.140 0.259 652 H ALA 86 H ALA 86 1.073 -2.359 2.541 653 HA ALA 86 HA ALA 86 1.878 -0.271 0.841 654 HB1 ALA 86 HB1 ALA 86 2.251 0.990 2.911 655 HB2 ALA 86 HB2 ALA 86 0.766 0.030 3.023 656 HB3 ALA 86 HB3 ALA 86 2.234 -0.515 3.851 657 H GLY 87 H GLY 87 3.792 0.812 0.502 658 HA2 GLY 87 HA2 GLY 87 6.099 1.223 0.488 659 HA3 GLY 87 HA3 GLY 87 6.342 -0.133 1.588 660 H SER 88 H SER 88 4.556 -1.467 -0.827 661 HA SER 88 HA SER 88 6.898 -2.460 -2.344 662 HB2 SER 88 HB2 SER 88 5.339 -3.910 -3.497 663 HB3 SER 88 HB3 SER 88 5.223 -4.118 -1.750 664 HG SER 88 HG SER 88 3.252 -3.034 -1.769 665 H ILE 89 H ILE 89 6.930 -2.263 -4.688 666 HA ILE 89 HA ILE 89 6.093 0.488 -5.497 667 HB ILE 89 HB ILE 89 8.153 -0.940 -7.098 668 HG12 ILE 89 HG12 ILE 89 8.970 -1.624 -4.904 669 HG13 ILE 89 HG13 ILE 89 10.030 -0.490 -5.709 670 HG21 ILE 89 HG21 ILE 89 7.864 1.899 -6.015 671 HG22 ILE 89 HG22 ILE 89 9.156 1.346 -7.095 672 HG23 ILE 89 HG23 ILE 89 7.470 1.336 -7.648 673 HD11 ILE 89 HD11 ILE 89 8.109 0.289 -3.470 674 HD12 ILE 89 HD12 ILE 89 9.840 -0.043 -3.303 675 HD13 ILE 89 HD13 ILE 89 9.302 1.332 -4.270 676 H ASN 90 H ASN 90 5.046 0.917 -7.444 677 HA ASN 90 HA ASN 90 3.934 -1.462 -8.875 678 HB2 ASN 90 HB2 ASN 90 2.371 0.053 -7.588 679 HB3 ASN 90 HB3 ASN 90 2.840 1.380 -8.649 680 HD21 ASN 90 HD22 ASN 90 1.558 1.565 -10.498 681 HD22 ASN 90 HD21 ASN 90 0.650 0.172 -11.126 682 H GLN 91 H GLN 91 3.839 -1.562 -11.169 683 HA GLN 91 HA GLN 91 4.932 0.665 -12.790 684 HB2 GLN 91 HB2 GLN 91 6.727 -1.107 -12.039 685 HB3 GLN 91 HB3 GLN 91 5.855 -2.179 -13.146 686 HG2 GLN 91 HG2 GLN 91 7.740 -1.341 -14.328 687 HG3 GLN 91 HG3 GLN 91 6.341 -0.511 -15.004 688 HE21 GLN 91 HE22 GLN 91 6.262 1.819 -14.764 689 HE22 GLN 91 HE21 GLN 91 7.475 2.682 -13.804 690 H ASN 92 H ASN 92 3.781 0.808 -14.752 691 HA ASN 92 HA ASN 92 2.517 0.418 -16.487 692 HB2 ASN 92 HB2 ASN 92 4.696 -0.661 -17.072 693 HB3 ASN 92 HB3 ASN 92 4.009 -2.225 -16.649 694 HD21 ASN 92 HD22 ASN 92 1.934 -2.824 -17.887 695 HD22 ASN 92 HD21 ASN 92 1.798 -2.229 -19.536 696 H GLY 93 H GLY 93 0.363 0.339 -15.910 697 HA2 GLY 93 HA2 GLY 93 -1.260 -1.588 -16.338 698 HA3 GLY 93 HA3 GLY 93 -0.739 -2.103 -14.741 699 H SER 94 H SER 94 -0.691 1.027 -14.233 700 HA SER 94 HA SER 94 -1.979 2.481 -13.010 701 HB2 SER 94 HB2 SER 94 -3.614 2.040 -15.510 702 HB3 SER 94 HB3 SER 94 -3.728 3.456 -14.454 703 HG SER 94 HG SER 94 -2.356 3.664 -16.327 704 H LEU 95 H LEU 95 -2.653 1.504 -11.085 705 HA LEU 95 HA LEU 95 -5.219 -0.036 -11.081 706 HB2 LEU 95 HB2 LEU 95 -3.018 0.056 -9.011 707 HB3 LEU 95 HB3 LEU 95 -4.388 -1.037 -9.002 708 HG LEU 95 HG LEU 95 -2.016 -1.031 -10.888 709 HD11 LEU 95 HD11 LEU 95 -2.850 -2.919 -8.644 710 HD12 LEU 95 HD12 LEU 95 -1.465 -3.160 -9.729 711 HD13 LEU 95 HD13 LEU 95 -1.480 -1.784 -8.624 712 HD21 LEU 95 HD21 LEU 95 -4.467 -2.830 -10.711 713 HD22 LEU 95 HD22 LEU 95 -3.914 -1.840 -12.081 714 HD23 LEU 95 HD23 LEU 95 -2.990 -3.271 -11.578 715 H LEU 96 H LEU 96 -6.620 0.044 -9.298 716 HA LEU 96 HA LEU 96 -6.298 2.292 -7.394 717 HB2 LEU 96 HB2 LEU 96 -8.979 1.510 -8.596 718 HB3 LEU 96 HB3 LEU 96 -8.720 2.542 -7.205 719 HG LEU 96 HG LEU 96 -7.167 3.911 -8.947 720 HD11 LEU 96 HD11 LEU 96 -9.410 2.784 -10.659 721 HD12 LEU 96 HD12 LEU 96 -8.240 4.009 -11.148 722 HD13 LEU 96 HD13 LEU 96 -7.692 2.354 -10.854 723 HD21 LEU 96 HD21 LEU 96 -10.193 4.081 -8.688 724 HD22 LEU 96 HD22 LEU 96 -8.983 4.881 -7.655 725 HD23 LEU 96 HD23 LEU 96 -9.165 5.360 -9.351 726 H ILE 97 H ILE 97 -6.506 1.816 -5.355 727 HA ILE 97 HA ILE 97 -7.111 -0.991 -4.542 728 HB ILE 97 HB ILE 97 -5.562 1.038 -2.900 729 HG12 ILE 97 HG12 ILE 97 -3.510 -0.371 -3.645 730 HG13 ILE 97 HG13 ILE 97 -4.443 -0.737 -5.090 731 HG21 ILE 97 HG21 ILE 97 -5.523 -2.008 -2.930 732 HG22 ILE 97 HG22 ILE 97 -4.691 -0.947 -1.779 733 HG23 ILE 97 HG23 ILE 97 -6.450 -1.021 -1.780 734 HD11 ILE 97 HD11 ILE 97 -3.835 2.103 -4.132 735 HD12 ILE 97 HD12 ILE 97 -2.775 1.182 -5.206 736 HD13 ILE 97 HD13 ILE 97 -4.396 1.606 -5.750 737 H CYS 98 H CYS 98 -8.824 -1.371 -3.171 738 HA CYS 98 HA CYS 98 -10.197 0.952 -1.922 739 HB2 CYS 98 HB2 CYS 98 -11.843 -0.679 -1.158 740 HB3 CYS 98 HB3 CYS 98 -11.668 -0.680 -2.913 741 HG CYS 98 HG CYS 98 -9.979 -2.678 -0.930 742 H ALA 99 H ALA 99 -9.493 1.716 -0.012 743 HA ALA 99 HA ALA 99 -7.531 0.235 1.517 744 HB1 ALA 99 HB1 ALA 99 -7.584 2.245 2.960 745 HB2 ALA 99 HB2 ALA 99 -7.434 2.679 1.243 746 HB3 ALA 99 HB3 ALA 99 -8.997 2.852 2.073 747 H THR 100 H THR 100 -7.945 -1.264 2.985 748 HA THR 100 HA THR 100 -10.528 -1.350 4.499 749 HB THR 100 HB THR 100 -9.880 -3.824 4.701 750 HG1 THR 100 HG1 THR 100 -8.315 -4.529 3.178 751 HG21 THR 100 HG21 THR 100 -11.517 -3.069 2.987 752 HG22 THR 100 HG22 THR 100 -10.183 -2.818 1.837 753 HG23 THR 100 HG23 THR 100 -10.549 -4.449 2.442 754 H HIS 101 H HIS 101 -7.318 -0.511 4.974 755 HA HIS 101 HA HIS 101 -7.552 -0.811 7.906 756 HB2 HIS 101 HB2 HIS 101 -5.042 -1.236 6.225 757 HB3 HIS 101 HB3 HIS 101 -5.169 -1.369 7.974 758 HD1 HIS 101 HD1 HIS 101 -6.123 -3.274 4.765 759 HD2 HIS 101 HD2 HIS 101 -5.910 -3.729 8.944 760 HE1 HIS 101 HE1 HIS 101 -6.683 -5.712 5.247 761 H VAL 102 H VAL 102 -6.995 1.110 8.967 762 HA VAL 102 HA VAL 102 -5.807 3.354 7.425 763 HB VAL 102 HB VAL 102 -5.715 4.524 9.626 764 HG11 VAL 102 HG11 VAL 102 -8.443 3.469 8.804 765 HG12 VAL 102 HG12 VAL 102 -8.115 4.955 9.726 766 HG13 VAL 102 HG13 VAL 102 -7.544 4.815 8.054 767 HG21 VAL 102 HG21 VAL 102 -5.644 2.543 11.144 768 HG22 VAL 102 HG22 VAL 102 -6.893 3.725 11.560 769 HG23 VAL 102 HG23 VAL 102 -7.347 2.224 10.746 770 H GLY 103 H GLY 103 -3.661 4.386 8.533 771 HA2 GLY 103 HA2 GLY 103 -1.729 2.415 7.692 772 HA3 GLY 103 HA3 GLY 103 -1.367 3.970 8.393 773 H ALA 104 H ALA 104 -2.635 3.605 10.938 774 HA ALA 104 HA ALA 104 -0.765 2.141 12.485 775 HB1 ALA 104 HB1 ALA 104 -3.596 3.107 13.097 776 HB2 ALA 104 HB2 ALA 104 -2.388 2.663 14.307 777 HB3 ALA 104 HB3 ALA 104 -2.104 4.061 13.262 778 H ASP 105 H ASP 105 -3.779 1.084 11.016 779 HA ASP 105 HA ASP 105 -3.914 -1.494 12.431 780 HB2 ASP 105 HB2 ASP 105 -5.948 -0.161 11.964 781 HB3 ASP 105 HB3 ASP 105 -5.654 -0.345 10.239 782 H THR 106 H THR 106 -2.079 -0.384 9.781 783 HA THR 106 HA THR 106 -2.511 -2.651 8.016 784 HB THR 106 HB THR 106 -0.511 -1.950 6.799 785 HG1 THR 106 HG1 THR 106 -0.261 0.144 8.664 786 HG21 THR 106 HG21 THR 106 -2.377 0.330 7.426 787 HG22 THR 106 HG22 THR 106 -1.236 0.265 6.067 788 HG23 THR 106 HG23 THR 106 -2.573 -0.905 6.180 789 H THR 107 H THR 107 -1.086 -4.369 7.470 790 HA THR 107 HA THR 107 0.014 -5.757 9.677 791 HB THR 107 HB THR 107 -0.665 -6.933 7.699 792 HG1 THR 107 HG1 THR 107 0.987 -7.859 9.024 793 HG21 THR 107 HG21 THR 107 0.134 -5.351 5.933 794 HG22 THR 107 HG22 THR 107 1.808 -5.851 6.289 795 HG23 THR 107 HG23 THR 107 0.637 -7.024 5.660 796 H LEU 108 H LEU 108 1.676 -3.370 7.638 797 HA LEU 108 HA LEU 108 4.367 -3.853 8.483 798 HB2 LEU 108 HB2 LEU 108 2.865 -1.305 7.736 799 HB3 LEU 108 HB3 LEU 108 4.556 -1.306 8.205 800 HG LEU 108 HG LEU 108 5.129 -2.756 6.275 801 HD11 LEU 108 HD11 LEU 108 2.221 -2.292 5.505 802 HD12 LEU 108 HD12 LEU 108 3.498 -2.855 4.396 803 HD13 LEU 108 HD13 LEU 108 3.033 -3.870 5.761 804 HD21 LEU 108 HD21 LEU 108 5.327 -0.334 6.242 805 HD22 LEU 108 HD22 LEU 108 4.799 -0.897 4.645 806 HD23 LEU 108 HD23 LEU 108 3.620 -0.170 5.777 807 H SER 109 H SER 109 1.846 -1.742 9.888 808 HA SER 109 HA SER 109 3.353 -0.880 12.181 809 HB2 SER 109 HB2 SER 109 0.365 -1.009 11.631 810 HB3 SER 109 HB3 SER 109 1.090 -0.262 13.069 811 HG SER 109 HG SER 109 0.710 0.898 10.770 812 H GLN 110 H GLN 110 1.353 -3.708 11.494 813 HA GLN 110 HA GLN 110 1.077 -4.549 14.267 814 HB2 GLN 110 HB2 GLN 110 -0.365 -5.206 12.222 815 HB3 GLN 110 HB3 GLN 110 0.901 -6.338 11.816 816 HG2 GLN 110 HG2 GLN 110 -0.664 -7.607 12.989 817 HG3 GLN 110 HG3 GLN 110 0.634 -7.353 14.158 818 HE21 GLN 110 HE22 GLN 110 -2.408 -5.741 13.016 819 HE22 GLN 110 HE21 GLN 110 -2.840 -5.149 14.592 820 H ILE 111 H ILE 111 3.348 -5.437 11.660 821 HA ILE 111 HA ILE 111 4.945 -7.318 13.074 822 HB ILE 111 HB ILE 111 5.647 -5.356 10.863 823 HG12 ILE 111 HG12 ILE 111 5.292 -8.374 10.657 824 HG13 ILE 111 HG13 ILE 111 3.921 -7.290 10.516 825 HG21 ILE 111 HG21 ILE 111 7.314 -7.680 11.935 826 HG22 ILE 111 HG22 ILE 111 7.657 -6.789 10.441 827 HG23 ILE 111 HG23 ILE 111 7.752 -5.958 11.984 828 HD11 ILE 111 HD11 ILE 111 5.037 -6.110 8.619 829 HD12 ILE 111 HD12 ILE 111 6.341 -7.319 8.675 830 HD13 ILE 111 HD13 ILE 111 4.680 -7.816 8.303 831 H VAL 112 H VAL 112 5.568 -3.757 12.744 832 HA VAL 112 HA VAL 112 7.761 -3.881 14.559 833 HB VAL 112 HB VAL 112 7.750 -1.443 14.620 834 HG11 VAL 112 HG11 VAL 112 7.311 -2.546 11.827 835 HG12 VAL 112 HG12 VAL 112 8.226 -1.087 12.286 836 HG13 VAL 112 HG13 VAL 112 8.818 -2.682 12.767 837 HG21 VAL 112 HG21 VAL 112 6.178 -0.136 13.276 838 HG22 VAL 112 HG22 VAL 112 5.259 -1.600 12.891 839 HG23 VAL 112 HG23 VAL 112 5.310 -0.990 14.558 840 H LYS 113 H LYS 113 4.361 -3.527 15.307 841 HA LYS 113 HA LYS 113 4.761 -2.646 18.061 842 HB2 LYS 113 HB2 LYS 113 2.440 -3.941 16.583 843 HB3 LYS 113 HB3 LYS 113 2.374 -3.506 18.298 844 HG2 LYS 113 HG2 LYS 113 2.696 -1.171 17.847 845 HG3 LYS 113 HG3 LYS 113 3.137 -1.462 16.187 846 HD2 LYS 113 HD2 LYS 113 0.983 -0.633 16.087 847 HD3 LYS 113 HD3 LYS 113 0.788 -2.369 15.790 848 HE2 LYS 113 HE2 LYS 113 0.142 -2.729 18.120 849 HE3 LYS 113 HE3 LYS 113 0.514 -1.044 18.512 850 HZ1 LYS 113 HZ1 LYS 113 -1.590 -1.858 16.577 851 HZ2 LYS 113 HZ2 LYS 113 -1.902 -1.411 18.134 852 HZ3 LYS 113 HZ3 LYS 113 -1.263 -0.336 17.070 853 H LEU 114 H LEU 114 4.231 -5.877 16.586 854 HA LEU 114 HA LEU 114 4.431 -7.263 19.100 855 HB2 LEU 114 HB2 LEU 114 3.436 -7.875 16.671 856 HB3 LEU 114 HB3 LEU 114 5.006 -8.676 16.517 857 HG LEU 114 HG LEU 114 2.878 -9.157 18.641 858 HD11 LEU 114 HD11 LEU 114 3.872 -10.906 16.344 859 HD12 LEU 114 HD12 LEU 114 2.629 -11.338 17.537 860 HD13 LEU 114 HD13 LEU 114 2.323 -10.027 16.395 861 HD21 LEU 114 HD21 LEU 114 5.598 -10.449 18.218 862 HD22 LEU 114 HD22 LEU 114 5.004 -9.607 19.677 863 HD23 LEU 114 HD23 LEU 114 4.310 -11.165 19.224 864 H VAL 115 H VAL 115 6.865 -6.657 16.520 865 HA VAL 115 HA VAL 115 8.874 -8.318 17.802 866 HB VAL 115 HB VAL 115 8.633 -7.565 15.314 867 HG11 VAL 115 HG11 VAL 115 10.568 -5.426 16.209 868 HG12 VAL 115 HG12 VAL 115 9.915 -5.707 14.584 869 HG13 VAL 115 HG13 VAL 115 8.857 -5.107 15.884 870 HG21 VAL 115 HG21 VAL 115 10.372 -9.098 16.131 871 HG22 VAL 115 HG22 VAL 115 11.004 -7.994 14.900 872 HG23 VAL 115 HG23 VAL 115 11.382 -7.718 16.612 873 H GLU 116 H GLU 116 7.846 -5.174 18.572 874 HA GLU 116 HA GLU 116 10.276 -4.164 19.859 875 HB2 GLU 116 HB2 GLU 116 8.507 -2.715 19.027 876 HB3 GLU 116 HB3 GLU 116 7.316 -3.492 20.051 877 HG2 GLU 116 HG2 GLU 116 9.688 -1.882 21.052 878 HG3 GLU 116 HG3 GLU 116 8.089 -1.209 20.767 879 H GLU 117 H GLU 117 7.667 -6.390 20.734 880 HA GLU 117 HA GLU 117 7.846 -6.067 23.585 881 HB2 GLU 117 HB2 GLU 117 6.729 -8.296 21.844 882 HB3 GLU 117 HB3 GLU 117 6.449 -8.173 23.556 883 HG2 GLU 117 HG2 GLU 117 5.645 -5.943 21.629 884 HG3 GLU 117 HG3 GLU 117 4.629 -7.326 21.976 885 H ALA 118 H ALA 118 9.862 -7.775 21.382 886 HA ALA 118 HA ALA 118 10.738 -9.892 23.181 887 HB1 ALA 118 HB1 ALA 118 10.677 -10.246 20.778 888 HB2 ALA 118 HB2 ALA 118 11.730 -8.853 20.488 889 HB3 ALA 118 HB3 ALA 118 12.366 -10.286 21.337 890 H GLN 119 H GLN 119 12.564 -7.196 21.708 891 HA GLN 119 HA GLN 119 14.698 -7.052 23.319 892 HB2 GLN 119 HB2 GLN 119 13.222 -4.772 22.007 893 HB3 GLN 119 HB3 GLN 119 14.770 -4.554 22.793 894 HG2 GLN 119 HG2 GLN 119 15.264 -4.821 20.513 895 HG3 GLN 119 HG3 GLN 119 15.746 -6.354 21.292 896 HE21 GLN 119 HE22 GLN 119 13.048 -4.690 19.683 897 HE22 GLN 119 HE21 GLN 119 12.296 -6.186 19.157 Start of MODEL 9 1 H SER 1 H SER 1 18.288 -7.053 12.195 2 HA SER 1 HA SER 1 17.707 -4.790 13.777 3 HB2 SER 1 HB2 SER 1 20.177 -4.384 13.744 4 HB3 SER 1 HB3 SER 1 19.728 -6.040 14.155 5 HG SER 1 HG SER 1 20.414 -6.753 12.236 6 H GLU 2 H GLU 2 18.458 -4.868 10.317 7 HA GLU 2 HA GLU 2 18.454 -1.874 10.222 8 HB2 GLU 2 HB2 GLU 2 19.348 -3.995 8.256 9 HB3 GLU 2 HB3 GLU 2 19.119 -2.301 7.794 10 HG2 GLU 2 HG2 GLU 2 20.735 -1.563 9.481 11 HG3 GLU 2 HG3 GLU 2 20.950 -3.222 10.047 12 H ALA 3 H ALA 3 16.207 -4.405 9.908 13 HA ALA 3 HA ALA 3 14.422 -2.965 8.045 14 HB1 ALA 3 HB1 ALA 3 13.921 -5.455 9.715 15 HB2 ALA 3 HB2 ALA 3 12.908 -4.817 8.408 16 HB3 ALA 3 HB3 ALA 3 14.525 -5.439 8.040 17 H LEU 4 H LEU 4 14.710 -3.538 11.513 18 HA LEU 4 HA LEU 4 12.217 -2.992 12.367 19 HB2 LEU 4 HB2 LEU 4 14.298 -3.792 13.653 20 HB3 LEU 4 HB3 LEU 4 14.637 -2.094 13.945 21 HG LEU 4 HG LEU 4 12.282 -1.927 14.988 22 HD11 LEU 4 HD11 LEU 4 12.668 -4.946 14.977 23 HD12 LEU 4 HD12 LEU 4 11.381 -4.068 15.844 24 HD13 LEU 4 HD13 LEU 4 11.411 -4.083 14.074 25 HD21 LEU 4 HD21 LEU 4 13.055 -2.893 17.118 26 HD22 LEU 4 HD22 LEU 4 14.380 -3.731 16.277 27 HD23 LEU 4 HD23 LEU 4 14.335 -1.953 16.335 28 H ALA 5 H ALA 5 14.550 -0.233 11.979 29 HA ALA 5 HA ALA 5 12.484 1.684 12.829 30 HB1 ALA 5 HB1 ALA 5 15.216 2.191 11.591 31 HB2 ALA 5 HB2 ALA 5 14.171 3.354 12.414 32 HB3 ALA 5 HB3 ALA 5 14.887 2.028 13.331 33 H LYS 6 H LYS 6 13.746 0.375 9.834 34 HA LYS 6 HA LYS 6 12.620 2.250 8.017 35 HB2 LYS 6 HB2 LYS 6 14.525 0.594 7.684 36 HB3 LYS 6 HB3 LYS 6 13.311 -0.643 7.369 37 HG2 LYS 6 HG2 LYS 6 12.560 0.505 5.381 38 HG3 LYS 6 HG3 LYS 6 13.428 1.991 5.837 39 HD2 LYS 6 HD2 LYS 6 15.593 0.741 5.659 40 HD3 LYS 6 HD3 LYS 6 14.702 -0.669 5.057 41 HE2 LYS 6 HE2 LYS 6 13.952 0.607 3.094 42 HE3 LYS 6 HE3 LYS 6 14.667 2.091 3.752 43 HZ1 LYS 6 HZ1 LYS 6 16.136 1.064 2.119 44 HZ2 LYS 6 HZ2 LYS 6 16.851 1.052 3.601 45 HZ3 LYS 6 HZ3 LYS 6 16.212 -0.328 2.993 46 H LEU 7 H LEU 7 11.186 -0.740 9.345 47 HA LEU 7 HA LEU 7 8.832 -0.826 7.759 48 HB2 LEU 7 HB2 LEU 7 9.522 -1.631 10.577 49 HB3 LEU 7 HB3 LEU 7 7.823 -1.491 10.180 50 HG LEU 7 HG LEU 7 8.419 -3.756 9.994 51 HD11 LEU 7 HD11 LEU 7 8.213 -2.798 7.117 52 HD12 LEU 7 HD12 LEU 7 7.660 -4.329 7.812 53 HD13 LEU 7 HD13 LEU 7 6.857 -2.815 8.264 54 HD21 LEU 7 HD21 LEU 7 10.799 -3.644 9.639 55 HD22 LEU 7 HD22 LEU 7 10.060 -4.616 8.357 56 HD23 LEU 7 HD23 LEU 7 10.575 -2.948 8.018 57 H ILE 8 H ILE 8 9.449 1.244 10.614 58 HA ILE 8 HA ILE 8 6.881 2.572 10.441 59 HB ILE 8 HB ILE 8 9.481 3.329 11.809 60 HG12 ILE 8 HG12 ILE 8 8.453 1.305 12.727 61 HG13 ILE 8 HG13 ILE 8 8.403 2.637 13.867 62 HG21 ILE 8 HG21 ILE 8 6.780 4.711 11.948 63 HG22 ILE 8 HG22 ILE 8 8.070 4.911 13.153 64 HG23 ILE 8 HG23 ILE 8 8.351 5.401 11.486 65 HD11 ILE 8 HD11 ILE 8 6.322 1.402 13.981 66 HD12 ILE 8 HD12 ILE 8 5.975 2.994 13.308 67 HD13 ILE 8 HD13 ILE 8 6.051 1.569 12.242 68 H SER 9 H SER 9 10.080 3.296 8.959 69 HA SER 9 HA SER 9 9.308 5.854 7.868 70 HB2 SER 9 HB2 SER 9 11.415 3.864 6.945 71 HB3 SER 9 HB3 SER 9 11.279 5.549 6.416 72 HG SER 9 HG SER 9 12.764 4.994 8.226 73 H LEU 10 H LEU 10 8.614 2.559 6.838 74 HA LEU 10 HA LEU 10 7.996 3.188 4.070 75 HB2 LEU 10 HB2 LEU 10 7.667 0.812 5.912 76 HB3 LEU 10 HB3 LEU 10 6.896 0.822 4.337 77 HG LEU 10 HG LEU 10 9.872 1.399 4.581 78 HD11 LEU 10 HD11 LEU 10 10.261 -0.991 4.081 79 HD12 LEU 10 HD12 LEU 10 9.531 -0.763 5.671 80 HD13 LEU 10 HD13 LEU 10 8.528 -1.326 4.313 81 HD21 LEU 10 HD21 LEU 10 8.203 0.130 2.378 82 HD22 LEU 10 HD22 LEU 10 8.665 1.851 2.409 83 HD23 LEU 10 HD23 LEU 10 9.913 0.601 2.285 84 H GLN 11 H GLN 11 6.284 3.780 7.022 85 HA GLN 11 HA GLN 11 3.611 3.680 5.838 86 HB2 GLN 11 HB2 GLN 11 4.603 4.895 8.437 87 HB3 GLN 11 HB3 GLN 11 2.926 4.872 7.891 88 HG2 GLN 11 HG2 GLN 11 2.899 2.431 7.887 89 HG3 GLN 11 HG3 GLN 11 4.625 2.358 8.275 90 HE21 GLN 11 HE22 GLN 11 1.408 2.737 9.639 91 HE22 GLN 11 HE21 GLN 11 2.025 2.932 11.281 92 H ALA 12 H ALA 12 2.893 5.064 4.436 93 HA ALA 12 HA ALA 12 4.464 7.120 3.326 94 HB1 ALA 12 HB1 ALA 12 2.975 5.613 2.106 95 HB2 ALA 12 HB2 ALA 12 1.552 6.332 2.907 96 HB3 ALA 12 HB3 ALA 12 2.526 7.288 1.775 97 H THR 13 H THR 13 3.400 9.196 2.548 98 HA THR 13 HA THR 13 2.417 10.827 4.866 99 HB THR 13 HB THR 13 3.966 11.643 2.381 100 HG1 THR 13 HG1 THR 13 5.666 11.650 3.631 101 HG21 THR 13 HG21 THR 13 3.188 13.253 4.852 102 HG22 THR 13 HG22 THR 13 4.361 13.771 3.619 103 HG23 THR 13 HG23 THR 13 2.663 13.561 3.183 104 H GLU 14 H GLU 14 1.778 10.232 1.326 105 HA GLU 14 HA GLU 14 -0.739 11.794 1.623 106 HB2 GLU 14 HB2 GLU 14 -0.214 13.113 -0.302 107 HB3 GLU 14 HB3 GLU 14 1.070 13.273 0.891 108 HG2 GLU 14 HG2 GLU 14 2.261 11.374 -0.523 109 HG3 GLU 14 HG3 GLU 14 1.123 11.851 -1.785 110 H ALA 15 H ALA 15 -2.284 11.579 -0.069 111 HA ALA 15 HA ALA 15 -2.059 9.265 -1.887 112 HB1 ALA 15 HB1 ALA 15 -4.271 9.552 0.196 113 HB2 ALA 15 HB2 ALA 15 -4.173 8.300 -1.062 114 HB3 ALA 15 HB3 ALA 15 -2.962 8.348 0.231 115 H THR 16 H THR 16 -3.916 9.120 -3.317 116 HA THR 16 HA THR 16 -5.441 11.666 -3.774 117 HB THR 16 HB THR 16 -4.158 9.996 -5.947 118 HG1 THR 16 HG1 THR 16 -3.194 12.151 -6.269 119 HG21 THR 16 HG21 THR 16 -4.976 11.791 -7.462 120 HG22 THR 16 HG22 THR 16 -6.315 10.901 -6.737 121 HG23 THR 16 HG23 THR 16 -5.887 12.510 -6.109 122 H ILE 17 H ILE 17 -7.488 11.370 -3.462 123 HA ILE 17 HA ILE 17 -8.744 8.699 -3.625 124 HB ILE 17 HB ILE 17 -10.163 11.269 -2.889 125 HG12 ILE 17 HG12 ILE 17 -8.490 9.598 -0.968 126 HG13 ILE 17 HG13 ILE 17 -8.188 11.268 -1.447 127 HG21 ILE 17 HG21 ILE 17 -10.595 8.370 -2.035 128 HG22 ILE 17 HG22 ILE 17 -11.619 9.755 -1.610 129 HG23 ILE 17 HG23 ILE 17 -11.532 9.235 -3.273 130 HD11 ILE 17 HD11 ILE 17 -10.495 10.276 0.255 131 HD12 ILE 17 HD12 ILE 17 -9.159 11.324 0.725 132 HD13 ILE 17 HD13 ILE 17 -10.377 11.925 -0.416 133 H VAL 18 H VAL 18 -10.404 8.136 -5.087 134 HA VAL 18 HA VAL 18 -10.956 10.123 -7.258 135 HB VAL 18 HB VAL 18 -11.814 8.184 -8.568 136 HG11 VAL 18 HG11 VAL 18 -9.568 7.557 -9.368 137 HG12 VAL 18 HG12 VAL 18 -9.716 9.289 -9.091 138 HG13 VAL 18 HG13 VAL 18 -8.846 8.290 -7.912 139 HG21 VAL 18 HG21 VAL 18 -11.844 6.473 -6.671 140 HG22 VAL 18 HG22 VAL 18 -11.020 5.965 -8.146 141 HG23 VAL 18 HG23 VAL 18 -10.066 6.483 -6.741 142 H THR 19 H THR 19 -12.763 11.145 -7.194 143 HA THR 19 HA THR 19 -15.130 9.974 -5.809 144 HB THR 19 HB THR 19 -14.360 12.907 -5.983 145 HG1 THR 19 HG1 THR 19 -13.705 12.674 -3.881 146 HG21 THR 19 HG21 THR 19 -16.364 11.424 -4.220 147 HG22 THR 19 HG22 THR 19 -15.992 13.161 -4.153 148 HG23 THR 19 HG23 THR 19 -16.777 12.485 -5.583 149 H LEU 20 H LEU 20 -17.132 10.242 -6.739 150 HA LEU 20 HA LEU 20 -17.053 10.732 -9.662 151 HB2 LEU 20 HB2 LEU 20 -19.042 8.982 -8.165 152 HB3 LEU 20 HB3 LEU 20 -18.717 9.039 -9.881 153 HG LEU 20 HG LEU 20 -16.685 8.095 -7.795 154 HD11 LEU 20 HD11 LEU 20 -18.526 6.598 -7.738 155 HD12 LEU 20 HD12 LEU 20 -18.635 6.529 -9.499 156 HD13 LEU 20 HD13 LEU 20 -17.232 5.829 -8.660 157 HD21 LEU 20 HD21 LEU 20 -15.599 8.878 -9.825 158 HD22 LEU 20 HD22 LEU 20 -15.536 7.113 -9.753 159 HD23 LEU 20 HD23 LEU 20 -16.692 7.926 -10.834 160 H ASP 21 H ASP 21 -18.672 11.722 -10.787 161 HA ASP 21 HA ASP 21 -20.713 13.300 -9.243 162 HB2 ASP 21 HB2 ASP 21 -18.314 14.229 -10.626 163 HB3 ASP 21 HB3 ASP 21 -19.756 15.000 -11.279 164 H SER 22 H SER 22 -20.101 11.668 -12.292 165 HA SER 22 HA SER 22 -22.873 12.405 -13.200 166 HB2 SER 22 HB2 SER 22 -20.530 11.457 -14.858 167 HB3 SER 22 HB3 SER 22 -22.182 11.665 -15.465 168 HG SER 22 HG SER 22 -22.089 13.813 -15.040 169 H ASP 23 H ASP 23 -21.444 10.134 -11.624 170 HA ASP 23 HA ASP 23 -22.277 8.205 -10.658 171 HB2 ASP 23 HB2 ASP 23 -24.525 8.863 -11.684 172 HB3 ASP 23 HB3 ASP 23 -24.184 7.656 -12.916 173 H ASN 24 H ASN 24 -20.208 7.564 -10.902 174 HA ASN 24 HA ASN 24 -18.299 6.726 -11.639 175 HB2 ASN 24 HB2 ASN 24 -18.247 4.380 -12.189 176 HB3 ASN 24 HB3 ASN 24 -19.373 4.723 -10.898 177 HD21 ASN 24 HD22 ASN 24 -21.390 4.051 -11.124 178 HD22 ASN 24 HD21 ASN 24 -21.979 3.183 -12.566 179 H ILE 25 H ILE 25 -20.235 7.706 -14.221 180 HA ILE 25 HA ILE 25 -18.143 7.314 -16.214 181 HB ILE 25 HB ILE 25 -19.798 8.787 -17.527 182 HG12 ILE 25 HG12 ILE 25 -21.849 7.861 -15.545 183 HG13 ILE 25 HG13 ILE 25 -21.084 9.446 -15.427 184 HG21 ILE 25 HG21 ILE 25 -20.540 6.024 -16.469 185 HG22 ILE 25 HG22 ILE 25 -21.112 6.702 -18.011 186 HG23 ILE 25 HG23 ILE 25 -19.391 6.336 -17.790 187 HD11 ILE 25 HD11 ILE 25 -23.194 9.585 -16.651 188 HD12 ILE 25 HD12 ILE 25 -21.840 9.993 -17.719 189 HD13 ILE 25 HD13 ILE 25 -22.632 8.403 -17.839 190 H LEU 26 H LEU 26 -18.501 9.623 -13.864 191 HA LEU 26 HA LEU 26 -16.413 11.277 -15.222 192 HB2 LEU 26 HB2 LEU 26 -18.515 12.499 -15.290 193 HB3 LEU 26 HB3 LEU 26 -18.591 12.514 -13.525 194 HG LEU 26 HG LEU 26 -16.010 13.447 -14.745 195 HD11 LEU 26 HD11 LEU 26 -18.586 15.026 -14.977 196 HD12 LEU 26 HD12 LEU 26 -16.953 15.683 -15.223 197 HD13 LEU 26 HD13 LEU 26 -17.559 14.397 -16.294 198 HD21 LEU 26 HD21 LEU 26 -16.032 15.093 -13.018 199 HD22 LEU 26 HD22 LEU 26 -17.746 14.833 -12.691 200 HD23 LEU 26 HD23 LEU 26 -16.553 13.587 -12.242 201 H LEU 27 H LEU 27 -14.797 11.813 -14.060 202 HA LEU 27 HA LEU 27 -14.560 11.013 -11.171 203 HB2 LEU 27 HB2 LEU 27 -12.584 10.465 -13.396 204 HB3 LEU 27 HB3 LEU 27 -12.016 10.779 -11.766 205 HG LEU 27 HG LEU 27 -13.443 8.914 -10.902 206 HD11 LEU 27 HD11 LEU 27 -15.074 8.610 -12.702 207 HD12 LEU 27 HD12 LEU 27 -13.774 8.273 -13.869 208 HD13 LEU 27 HD13 LEU 27 -14.113 7.148 -12.534 209 HD21 LEU 27 HD21 LEU 27 -11.034 8.665 -11.327 210 HD22 LEU 27 HD22 LEU 27 -11.900 7.159 -11.669 211 HD23 LEU 27 HD23 LEU 27 -11.367 8.202 -13.006 212 H SER 28 H SER 28 -13.892 12.486 -9.811 213 HA SER 28 HA SER 28 -12.215 14.791 -10.706 214 HB2 SER 28 HB2 SER 28 -14.677 15.380 -10.443 215 HB3 SER 28 HB3 SER 28 -14.532 15.009 -8.732 216 HG SER 28 HG SER 28 -12.853 16.652 -8.640 217 H GLU 29 H GLU 29 -10.304 14.383 -9.728 218 HA GLU 29 HA GLU 29 -10.261 12.680 -7.350 219 HB2 GLU 29 HB2 GLU 29 -7.849 13.696 -8.859 220 HB3 GLU 29 HB3 GLU 29 -7.963 12.365 -7.721 221 HG2 GLU 29 HG2 GLU 29 -8.080 11.052 -9.515 222 HG3 GLU 29 HG3 GLU 29 -9.783 11.507 -9.562 223 H GLU 30 H GLU 30 -9.327 13.009 -5.394 224 HA GLU 30 HA GLU 30 -8.929 15.858 -4.524 225 HB2 GLU 30 HB2 GLU 30 -9.807 13.522 -2.796 226 HB3 GLU 30 HB3 GLU 30 -9.770 15.234 -2.385 227 HG2 GLU 30 HG2 GLU 30 -11.560 15.629 -4.121 228 HG3 GLU 30 HG3 GLU 30 -11.599 13.886 -4.418 229 H GLN 31 H GLN 31 -6.837 16.383 -3.655 230 HA GLN 31 HA GLN 31 -4.981 14.121 -3.194 231 HB2 GLN 31 HB2 GLN 31 -4.620 17.047 -3.952 232 HB3 GLN 31 HB3 GLN 31 -3.297 16.061 -3.301 233 HG2 GLN 31 HG2 GLN 31 -3.750 14.357 -5.036 234 HG3 GLN 31 HG3 GLN 31 -4.858 15.495 -5.865 235 HE21 GLN 31 HE22 GLN 31 -1.733 14.736 -4.654 236 HE22 GLN 31 HE21 GLN 31 -1.131 16.264 -5.000 237 H VAL 32 H VAL 32 -4.472 13.581 -1.219 238 HA VAL 32 HA VAL 32 -4.985 15.483 1.033 239 HB VAL 32 HB VAL 32 -6.146 13.755 2.239 240 HG11 VAL 32 HG11 VAL 32 -7.463 14.026 -0.484 241 HG12 VAL 32 HG12 VAL 32 -8.246 13.743 1.079 242 HG13 VAL 32 HG13 VAL 32 -7.448 15.291 0.764 243 HG21 VAL 32 HG21 VAL 32 -5.138 11.710 1.293 244 HG22 VAL 32 HG22 VAL 32 -6.897 11.653 1.226 245 HG23 VAL 32 HG23 VAL 32 -5.971 12.007 -0.250 246 H ASP 33 H ASP 33 -4.125 14.964 3.011 247 HA ASP 33 HA ASP 33 -1.559 13.470 3.011 248 HB2 ASP 33 HB2 ASP 33 -3.030 14.874 5.260 249 HB3 ASP 33 HB3 ASP 33 -1.452 14.098 5.388 250 H VAL 34 H VAL 34 -1.245 11.502 4.054 251 HA VAL 34 HA VAL 34 -3.358 9.718 3.693 252 HB VAL 34 HB VAL 34 -0.895 9.230 3.590 253 HG11 VAL 34 HG11 VAL 34 -1.240 8.626 6.560 254 HG12 VAL 34 HG12 VAL 34 0.145 8.197 5.558 255 HG13 VAL 34 HG13 VAL 34 -0.220 9.906 5.854 256 HG21 VAL 34 HG21 VAL 34 -2.630 7.507 3.235 257 HG22 VAL 34 HG22 VAL 34 -1.161 6.857 3.974 258 HG23 VAL 34 HG23 VAL 34 -2.600 7.124 4.969 259 H GLU 35 H GLU 35 -2.825 11.483 6.607 260 HA GLU 35 HA GLU 35 -4.281 9.831 8.457 261 HB2 GLU 35 HB2 GLU 35 -2.846 11.784 9.001 262 HB3 GLU 35 HB3 GLU 35 -4.053 12.871 8.319 263 HG2 GLU 35 HG2 GLU 35 -5.613 12.365 10.078 264 HG3 GLU 35 HG3 GLU 35 -4.685 10.946 10.590 265 H LEU 36 H LEU 36 -5.361 11.874 5.813 266 HA LEU 36 HA LEU 36 -8.089 12.190 6.822 267 HB2 LEU 36 HB2 LEU 36 -6.843 13.114 4.221 268 HB3 LEU 36 HB3 LEU 36 -8.297 13.749 4.979 269 HG LEU 36 HG LEU 36 -5.449 14.060 6.042 270 HD11 LEU 36 HD11 LEU 36 -7.375 16.090 4.850 271 HD12 LEU 36 HD12 LEU 36 -5.739 16.397 5.471 272 HD13 LEU 36 HD13 LEU 36 -5.957 15.400 4.029 273 HD21 LEU 36 HD21 LEU 36 -7.016 13.990 7.920 274 HD22 LEU 36 HD22 LEU 36 -6.501 15.657 7.632 275 HD23 LEU 36 HD23 LEU 36 -8.106 15.129 7.091 276 H VAL 37 H VAL 37 -6.688 9.745 5.052 277 HA VAL 37 HA VAL 37 -9.173 9.056 3.538 278 HB VAL 37 HB VAL 37 -7.411 8.926 2.031 279 HG11 VAL 37 HG11 VAL 37 -5.739 7.377 4.043 280 HG12 VAL 37 HG12 VAL 37 -5.307 7.686 2.349 281 HG13 VAL 37 HG13 VAL 37 -5.456 9.040 3.465 282 HG21 VAL 37 HG21 VAL 37 -8.850 6.924 1.988 283 HG22 VAL 37 HG22 VAL 37 -7.195 6.563 1.462 284 HG23 VAL 37 HG23 VAL 37 -7.722 6.072 3.068 285 H GLN 38 H GLN 38 -10.285 7.202 3.996 286 HA GLN 38 HA GLN 38 -9.680 5.900 6.634 287 HB2 GLN 38 HB2 GLN 38 -12.308 6.690 5.313 288 HB3 GLN 38 HB3 GLN 38 -12.195 5.605 6.689 289 HG2 GLN 38 HG2 GLN 38 -11.323 7.327 8.119 290 HG3 GLN 38 HG3 GLN 38 -11.037 8.419 6.750 291 HE21 GLN 38 HE22 GLN 38 -13.842 6.612 8.130 292 HE22 GLN 38 HE21 GLN 38 -14.914 7.955 7.737 293 H ARG 39 H ARG 39 -10.551 3.695 6.874 294 HA ARG 39 HA ARG 39 -10.160 2.078 4.434 295 HB2 ARG 39 HB2 ARG 39 -10.570 0.136 5.670 296 HB3 ARG 39 HB3 ARG 39 -9.488 1.160 6.629 297 HG2 ARG 39 HG2 ARG 39 -11.568 1.906 7.885 298 HG3 ARG 39 HG3 ARG 39 -12.446 0.643 7.018 299 HD2 ARG 39 HD2 ARG 39 -11.164 -1.109 8.011 300 HD3 ARG 39 HD3 ARG 39 -9.997 0.040 8.709 301 HE ARG 39 HE ARG 39 -12.127 0.920 9.965 302 HH11 ARG 39 HH11 ARG 39 -11.384 -2.544 9.649 303 HH12 ARG 39 HH12 ARG 39 -12.457 -2.887 10.996 304 HH21 ARG 39 HH21 ARG 39 -13.334 0.368 11.549 305 HH22 ARG 39 HH22 ARG 39 -13.686 -1.310 11.902 306 H GLY 40 H GLY 40 -11.769 1.293 3.064 307 HA2 GLY 40 HA2 GLY 40 -14.034 0.921 2.441 308 HA3 GLY 40 HA3 GLY 40 -14.569 2.186 3.538 309 H ASP 41 H ASP 41 -11.799 3.465 2.217 310 HA ASP 41 HA ASP 41 -13.228 4.942 0.086 311 HB2 ASP 41 HB2 ASP 41 -10.501 5.361 1.345 312 HB3 ASP 41 HB3 ASP 41 -11.248 6.406 0.145 313 H ILE 42 H ILE 42 -12.202 5.360 -1.989 314 HA ILE 42 HA ILE 42 -10.551 3.084 -2.984 315 HB ILE 42 HB ILE 42 -12.632 4.668 -4.517 316 HG12 ILE 42 HG12 ILE 42 -12.669 1.794 -3.467 317 HG13 ILE 42 HG13 ILE 42 -13.644 3.127 -2.850 318 HG21 ILE 42 HG21 ILE 42 -10.705 3.915 -5.918 319 HG22 ILE 42 HG22 ILE 42 -10.939 2.251 -5.334 320 HG23 ILE 42 HG23 ILE 42 -12.173 3.053 -6.335 321 HD11 ILE 42 HD11 ILE 42 -13.920 1.823 -5.575 322 HD12 ILE 42 HD12 ILE 42 -15.057 1.797 -4.220 323 HD13 ILE 42 HD13 ILE 42 -14.761 3.318 -5.087 324 H ILE 43 H ILE 43 -8.568 3.593 -3.464 325 HA ILE 43 HA ILE 43 -7.790 6.396 -4.077 326 HB ILE 43 HB ILE 43 -6.343 4.107 -2.681 327 HG12 ILE 43 HG12 ILE 43 -8.152 4.802 -1.238 328 HG13 ILE 43 HG13 ILE 43 -6.625 5.346 -0.579 329 HG21 ILE 43 HG21 ILE 43 -5.522 7.018 -3.001 330 HG22 ILE 43 HG22 ILE 43 -4.725 5.845 -1.936 331 HG23 ILE 43 HG23 ILE 43 -4.716 5.594 -3.678 332 HD11 ILE 43 HD11 ILE 43 -8.448 7.044 -0.390 333 HD12 ILE 43 HD12 ILE 43 -7.064 7.651 -1.323 334 HD13 ILE 43 HD13 ILE 43 -8.557 7.122 -2.134 335 H LYS 44 H LYS 44 -6.713 6.845 -5.918 336 HA LYS 44 HA LYS 44 -5.908 4.684 -7.727 337 HB2 LYS 44 HB2 LYS 44 -7.107 6.652 -8.510 338 HB3 LYS 44 HB3 LYS 44 -5.737 7.684 -8.069 339 HG2 LYS 44 HG2 LYS 44 -4.306 6.664 -9.681 340 HG3 LYS 44 HG3 LYS 44 -5.377 5.279 -9.922 341 HD2 LYS 44 HD2 LYS 44 -6.344 8.066 -10.548 342 HD3 LYS 44 HD3 LYS 44 -5.297 7.178 -11.689 343 HE2 LYS 44 HE2 LYS 44 -6.970 5.263 -11.555 344 HE3 LYS 44 HE3 LYS 44 -8.040 6.361 -10.663 345 HZ1 LYS 44 HZ1 LYS 44 -7.049 6.694 -13.435 346 HZ2 LYS 44 HZ2 LYS 44 -8.577 6.385 -12.988 347 HZ3 LYS 44 HZ3 LYS 44 -7.916 7.861 -12.641 348 H VAL 45 H VAL 45 -3.992 3.799 -7.996 349 HA VAL 45 HA VAL 45 -1.564 5.210 -6.999 350 HB VAL 45 HB VAL 45 -2.196 3.173 -5.770 351 HG11 VAL 45 HG11 VAL 45 -1.534 1.641 -8.316 352 HG12 VAL 45 HG12 VAL 45 -1.870 0.968 -6.719 353 HG13 VAL 45 HG13 VAL 45 -3.150 1.824 -7.591 354 HG21 VAL 45 HG21 VAL 45 0.164 3.913 -5.867 355 HG22 VAL 45 HG22 VAL 45 0.013 2.150 -5.743 356 HG23 VAL 45 HG23 VAL 45 0.424 2.891 -7.300 357 H VAL 46 H VAL 46 0.037 5.658 -8.339 358 HA VAL 46 HA VAL 46 -0.310 5.219 -11.220 359 HB VAL 46 HB VAL 46 1.554 6.806 -11.446 360 HG11 VAL 46 HG11 VAL 46 -0.489 7.788 -9.431 361 HG12 VAL 46 HG12 VAL 46 0.485 8.769 -10.536 362 HG13 VAL 46 HG13 VAL 46 -0.733 7.661 -11.185 363 HG21 VAL 46 HG21 VAL 46 2.994 6.253 -9.596 364 HG22 VAL 46 HG22 VAL 46 2.499 7.939 -9.450 365 HG23 VAL 46 HG23 VAL 46 1.761 6.700 -8.418 366 HA PRO 47 HA PRO 47 3.053 2.224 -11.746 367 HB2 PRO 47 HB2 PRO 47 4.335 3.102 -14.019 368 HB3 PRO 47 HB3 PRO 47 2.772 2.231 -14.037 369 HG2 PRO 47 HG2 PRO 47 3.236 5.230 -14.144 370 HG3 PRO 47 HG3 PRO 47 2.184 4.231 -15.199 371 HD2 PRO 47 HD2 PRO 47 1.150 5.586 -13.112 372 HD3 PRO 47 HD3 PRO 47 0.582 3.941 -13.476 373 H GLY 48 H GLY 48 5.049 2.113 -10.926 374 HA2 GLY 48 HA2 GLY 48 7.182 2.698 -10.218 375 HA3 GLY 48 HA3 GLY 48 6.913 4.376 -10.696 376 H GLY 49 H GLY 49 4.221 3.969 -8.940 377 HA2 GLY 49 HA2 GLY 49 5.395 5.318 -6.638 378 HA3 GLY 49 HA3 GLY 49 3.683 5.023 -6.927 379 H LYS 50 H LYS 50 4.944 4.843 -4.442 380 HA LYS 50 HA LYS 50 4.857 1.948 -3.725 381 HB2 LYS 50 HB2 LYS 50 5.691 4.442 -2.219 382 HB3 LYS 50 HB3 LYS 50 5.341 2.935 -1.368 383 HG2 LYS 50 HG2 LYS 50 7.087 1.749 -2.488 384 HG3 LYS 50 HG3 LYS 50 7.364 3.079 -3.633 385 HD2 LYS 50 HD2 LYS 50 8.119 4.536 -1.856 386 HD3 LYS 50 HD3 LYS 50 7.807 3.313 -0.616 387 HE2 LYS 50 HE2 LYS 50 9.634 2.651 -2.937 388 HE3 LYS 50 HE3 LYS 50 10.235 3.740 -1.693 389 HZ1 LYS 50 HZ1 LYS 50 10.106 2.132 -0.073 390 HZ2 LYS 50 HZ2 LYS 50 9.130 1.101 -0.933 391 HZ3 LYS 50 HZ3 LYS 50 10.699 1.312 -1.360 392 H PHE 51 H PHE 51 3.227 1.018 -2.573 393 HA PHE 51 HA PHE 51 0.638 2.266 -2.547 394 HB2 PHE 51 HB2 PHE 51 1.660 -0.211 -1.129 395 HB3 PHE 51 HB3 PHE 51 -0.027 0.284 -1.150 396 HD1 PHE 51 HD1 PHE 51 -1.337 0.263 -3.294 397 HD2 PHE 51 HD2 PHE 51 2.659 -1.310 -3.026 398 HE1 PHE 51 HE1 PHE 51 -1.640 -0.917 -5.458 399 HE2 PHE 51 HE2 PHE 51 2.390 -2.393 -5.231 400 HZ PHE 51 HZ PHE 51 0.231 -2.205 -6.459 401 HA PRO 52 HA PRO 52 1.276 4.293 1.435 402 HB2 PRO 52 HB2 PRO 52 -0.846 5.974 1.508 403 HB3 PRO 52 HB3 PRO 52 0.461 6.149 0.298 404 HG2 PRO 52 HG2 PRO 52 -2.236 4.812 -0.058 405 HG3 PRO 52 HG3 PRO 52 -1.443 6.007 -1.130 406 HD2 PRO 52 HD2 PRO 52 -1.312 3.276 -1.545 407 HD3 PRO 52 HD3 PRO 52 -0.008 4.403 -2.025 408 H VAL 53 H VAL 53 -1.244 2.062 0.888 409 HA VAL 53 HA VAL 53 -1.866 1.675 3.729 410 HB VAL 53 HB VAL 53 -4.317 1.573 3.260 411 HG11 VAL 53 HG11 VAL 53 -3.156 4.358 2.889 412 HG12 VAL 53 HG12 VAL 53 -4.756 3.925 3.530 413 HG13 VAL 53 HG13 VAL 53 -3.297 3.500 4.438 414 HG21 VAL 53 HG21 VAL 53 -4.219 1.461 0.789 415 HG22 VAL 53 HG22 VAL 53 -5.261 2.772 1.374 416 HG23 VAL 53 HG23 VAL 53 -3.646 3.145 0.750 417 H ASP 54 H ASP 54 -3.513 -0.358 3.789 418 HA ASP 54 HA ASP 54 -2.713 -2.241 1.635 419 HB2 ASP 54 HB2 ASP 54 -2.487 -4.051 3.005 420 HB3 ASP 54 HB3 ASP 54 -1.537 -2.762 3.723 421 H GLY 55 H GLY 55 -4.152 -3.790 0.900 422 HA2 GLY 55 HA2 GLY 55 -6.875 -4.055 1.430 423 HA3 GLY 55 HA3 GLY 55 -6.752 -2.552 0.525 424 H ARG 56 H ARG 56 -8.076 -3.550 -1.007 425 HA ARG 56 HA ARG 56 -6.845 -5.682 -2.727 426 HB2 ARG 56 HB2 ARG 56 -9.011 -6.133 -1.439 427 HB3 ARG 56 HB3 ARG 56 -9.797 -5.051 -2.591 428 HG2 ARG 56 HG2 ARG 56 -9.122 -6.560 -4.457 429 HG3 ARG 56 HG3 ARG 56 -8.256 -7.576 -3.300 430 HD2 ARG 56 HD2 ARG 56 -10.265 -8.708 -3.707 431 HD3 ARG 56 HD3 ARG 56 -10.463 -7.998 -2.113 432 HE ARG 56 HE ARG 56 -11.921 -7.377 -4.605 433 HH11 ARG 56 HH11 ARG 56 -11.591 -6.541 -1.216 434 HH12 ARG 56 HH12 ARG 56 -12.904 -5.416 -1.271 435 HH21 ARG 56 HH21 ARG 56 -13.721 -6.067 -4.552 436 HH22 ARG 56 HH22 ARG 56 -14.058 -5.126 -3.114 437 H VAL 57 H VAL 57 -6.764 -5.565 -4.888 438 HA VAL 57 HA VAL 57 -6.934 -2.945 -6.270 439 HB VAL 57 HB VAL 57 -5.969 -5.689 -7.219 440 HG11 VAL 57 HG11 VAL 57 -5.695 -2.923 -8.478 441 HG12 VAL 57 HG12 VAL 57 -4.893 -4.401 -9.065 442 HG13 VAL 57 HG13 VAL 57 -6.644 -4.286 -9.113 443 HG21 VAL 57 HG21 VAL 57 -4.222 -3.340 -6.440 444 HG22 VAL 57 HG22 VAL 57 -4.468 -4.794 -5.446 445 HG23 VAL 57 HG23 VAL 57 -3.698 -4.921 -7.030 446 H ILE 58 H ILE 58 -8.749 -2.505 -7.495 447 HA ILE 58 HA ILE 58 -10.200 -4.780 -8.774 448 HB ILE 58 HB ILE 58 -12.409 -3.609 -8.106 449 HG12 ILE 58 HG12 ILE 58 -10.721 -2.681 -5.753 450 HG13 ILE 58 HG13 ILE 58 -11.129 -1.599 -7.101 451 HG21 ILE 58 HG21 ILE 58 -10.901 -5.079 -5.917 452 HG22 ILE 58 HG22 ILE 58 -12.650 -4.988 -6.175 453 HG23 ILE 58 HG23 ILE 58 -11.649 -5.855 -7.334 454 HD11 ILE 58 HD11 ILE 58 -13.131 -2.930 -5.229 455 HD12 ILE 58 HD12 ILE 58 -12.706 -1.210 -5.316 456 HD13 ILE 58 HD13 ILE 58 -13.555 -1.971 -6.671 457 H GLU 59 H GLU 59 -8.395 -2.711 -9.789 458 HA GLU 59 HA GLU 59 -9.760 -2.544 -12.300 459 HB2 GLU 59 HB2 GLU 59 -10.426 -0.366 -10.829 460 HB3 GLU 59 HB3 GLU 59 -8.853 0.180 -11.398 461 HG2 GLU 59 HG2 GLU 59 -11.223 -0.715 -13.087 462 HG3 GLU 59 HG3 GLU 59 -10.737 0.951 -12.810 463 H GLY 60 H GLY 60 -8.142 -2.794 -13.842 464 HA2 GLY 60 HA2 GLY 60 -6.145 -2.345 -14.938 465 HA3 GLY 60 HA3 GLY 60 -5.561 -1.442 -13.546 466 H HIS 61 H HIS 61 -3.668 -2.712 -14.486 467 HA HIS 61 HA HIS 61 -3.195 -5.142 -12.896 468 HB2 HIS 61 HB2 HIS 61 -2.840 -6.671 -14.605 469 HB3 HIS 61 HB3 HIS 61 -4.362 -5.914 -14.983 470 HD1 HIS 61 HD1 HIS 61 -4.341 -4.253 -17.193 471 HD2 HIS 61 HD2 HIS 61 -0.865 -6.485 -16.387 472 HE1 HIS 61 HE1 HIS 61 -2.961 -4.250 -19.341 473 H SER 62 H SER 62 -1.263 -5.266 -12.159 474 HA SER 62 HA SER 62 1.081 -4.161 -13.501 475 HB2 SER 62 HB2 SER 62 -0.085 -2.830 -11.068 476 HB3 SER 62 HB3 SER 62 1.653 -2.932 -11.188 477 HG SER 62 HG SER 62 0.261 -1.109 -12.277 478 H MET 63 H MET 63 3.107 -4.409 -12.193 479 HA MET 63 HA MET 63 3.054 -6.990 -10.712 480 HB2 MET 63 HB2 MET 63 4.100 -7.078 -12.915 481 HB3 MET 63 HB3 MET 63 5.251 -5.818 -12.445 482 HG2 MET 63 HG2 MET 63 6.301 -7.226 -10.867 483 HG3 MET 63 HG3 MET 63 4.969 -8.384 -10.849 484 HE1 MET 63 HE1 MET 63 5.386 -10.596 -13.897 485 HE2 MET 63 HE2 MET 63 4.760 -10.442 -12.239 486 HE3 MET 63 HE3 MET 63 4.184 -9.346 -13.513 487 H VAL 64 H VAL 64 3.819 -7.015 -8.740 488 HA VAL 64 HA VAL 64 4.782 -4.463 -7.543 489 HB VAL 64 HB VAL 64 2.854 -6.548 -6.487 490 HG11 VAL 64 HG11 VAL 64 3.921 -4.116 -4.992 491 HG12 VAL 64 HG12 VAL 64 2.573 -5.146 -4.478 492 HG13 VAL 64 HG13 VAL 64 4.203 -5.813 -4.567 493 HG21 VAL 64 HG21 VAL 64 1.853 -4.945 -8.043 494 HG22 VAL 64 HG22 VAL 64 1.333 -4.540 -6.398 495 HG23 VAL 64 HG23 VAL 64 2.604 -3.592 -7.190 496 H ASP 65 H ASP 65 6.367 -4.386 -6.125 497 HA ASP 65 HA ASP 65 7.953 -6.877 -5.675 498 HB2 ASP 65 HB2 ASP 65 8.975 -5.094 -7.026 499 HB3 ASP 65 HB3 ASP 65 8.813 -3.968 -5.681 500 H GLU 66 H GLU 66 7.032 -7.715 -3.869 501 HA GLU 66 HA GLU 66 6.482 -6.109 -1.474 502 HB2 GLU 66 HB2 GLU 66 6.053 -9.072 -1.875 503 HB3 GLU 66 HB3 GLU 66 5.389 -8.014 -0.605 504 HG2 GLU 66 HG2 GLU 66 4.078 -6.812 -2.340 505 HG3 GLU 66 HG3 GLU 66 4.619 -8.002 -3.534 506 H SER 67 H SER 67 9.316 -6.718 -2.359 507 HA SER 67 HA SER 67 10.661 -8.655 -1.095 508 HB2 SER 67 HB2 SER 67 12.635 -7.215 -1.533 509 HB3 SER 67 HB3 SER 67 11.485 -7.208 -2.869 510 HG SER 67 HG SER 67 12.157 -5.095 -2.381 511 H LEU 68 H LEU 68 9.277 -6.237 0.835 512 HA LEU 68 HA LEU 68 11.288 -6.618 3.023 513 HB2 LEU 68 HB2 LEU 68 11.316 -4.397 1.702 514 HB3 LEU 68 HB3 LEU 68 9.764 -4.051 2.425 515 HG LEU 68 HG LEU 68 11.578 -2.865 3.478 516 HD11 LEU 68 HD11 LEU 68 11.123 -3.194 5.756 517 HD12 LEU 68 HD12 LEU 68 9.630 -3.629 4.904 518 HD13 LEU 68 HD13 LEU 68 10.704 -4.897 5.543 519 HD21 LEU 68 HD21 LEU 68 13.411 -4.461 3.093 520 HD22 LEU 68 HD22 LEU 68 13.343 -3.883 4.763 521 HD23 LEU 68 HD23 LEU 68 12.759 -5.514 4.377 522 H ILE 69 H ILE 69 7.902 -6.030 2.144 523 HA ILE 69 HA ILE 69 6.948 -6.375 4.913 524 HB ILE 69 HB ILE 69 5.259 -6.398 2.393 525 HG12 ILE 69 HG12 ILE 69 6.349 -4.254 2.401 526 HG13 ILE 69 HG13 ILE 69 4.679 -4.073 2.879 527 HG21 ILE 69 HG21 ILE 69 4.598 -6.062 5.354 528 HG22 ILE 69 HG22 ILE 69 3.459 -5.714 4.044 529 HG23 ILE 69 HG23 ILE 69 4.061 -7.353 4.266 530 HD11 ILE 69 HD11 ILE 69 5.410 -3.866 5.261 531 HD12 ILE 69 HD12 ILE 69 7.102 -3.970 4.720 532 HD13 ILE 69 HD13 ILE 69 6.081 -2.613 4.191 533 H THR 70 H THR 70 6.419 -8.359 1.918 534 HA THR 70 HA THR 70 5.760 -10.678 3.665 535 HB THR 70 HB THR 70 4.750 -11.683 1.729 536 HG1 THR 70 HG1 THR 70 4.677 -10.255 -0.200 537 HG21 THR 70 HG21 THR 70 2.939 -10.150 1.281 538 HG22 THR 70 HG22 THR 70 3.407 -9.938 2.974 539 HG23 THR 70 HG23 THR 70 3.913 -8.748 1.753 540 H GLY 71 H GLY 71 8.383 -9.502 1.809 541 HA2 GLY 71 HA2 GLY 71 10.530 -10.279 1.802 542 HA3 GLY 71 HA3 GLY 71 10.012 -11.703 2.697 543 H GLU 72 H GLU 72 8.222 -11.501 -0.110 544 HA GLU 72 HA GLU 72 9.183 -13.800 -1.362 545 HB2 GLU 72 HB2 GLU 72 7.952 -11.426 -2.810 546 HB3 GLU 72 HB3 GLU 72 7.969 -13.088 -3.383 547 HG2 GLU 72 HG2 GLU 72 6.564 -12.140 -0.849 548 HG3 GLU 72 HG3 GLU 72 5.787 -12.267 -2.411 549 H ALA 73 H ALA 73 10.046 -10.478 -2.412 550 HA ALA 73 HA ALA 73 11.920 -9.501 -3.085 551 HB1 ALA 73 HB1 ALA 73 13.462 -12.092 -2.837 552 HB2 ALA 73 HB2 ALA 73 14.094 -10.447 -2.981 553 HB3 ALA 73 HB3 ALA 73 13.214 -10.921 -1.516 554 H MET 74 H MET 74 10.555 -12.130 -4.622 555 HA MET 74 HA MET 74 11.558 -11.485 -7.314 556 HB2 MET 74 HB2 MET 74 11.090 -13.805 -6.571 557 HB3 MET 74 HB3 MET 74 9.378 -13.380 -6.375 558 HG2 MET 74 HG2 MET 74 9.197 -12.866 -8.724 559 HG3 MET 74 HG3 MET 74 10.924 -13.177 -8.970 560 HE1 MET 74 HE1 MET 74 12.027 -15.525 -9.099 561 HE2 MET 74 HE2 MET 74 11.561 -15.869 -7.415 562 HE3 MET 74 HE3 MET 74 11.210 -17.048 -8.692 563 HA PRO 75 HA PRO 75 8.083 -8.636 -8.058 564 HB2 PRO 75 HB2 PRO 75 8.323 -9.568 -10.902 565 HB3 PRO 75 HB3 PRO 75 8.303 -7.896 -10.255 566 HG2 PRO 75 HG2 PRO 75 10.608 -9.039 -11.113 567 HG3 PRO 75 HG3 PRO 75 10.582 -8.034 -9.626 568 HD2 PRO 75 HD2 PRO 75 10.514 -11.068 -9.830 569 HD3 PRO 75 HD3 PRO 75 11.484 -10.006 -8.770 570 H VAL 76 H VAL 76 5.914 -8.949 -7.865 571 HA VAL 76 HA VAL 76 4.705 -11.610 -8.538 572 HB VAL 76 HB VAL 76 4.113 -9.655 -6.282 573 HG11 VAL 76 HG11 VAL 76 2.032 -10.809 -6.918 574 HG12 VAL 76 HG12 VAL 76 2.871 -12.377 -6.855 575 HG13 VAL 76 HG13 VAL 76 2.647 -11.412 -5.382 576 HG21 VAL 76 HG21 VAL 76 6.190 -10.899 -5.885 577 HG22 VAL 76 HG22 VAL 76 4.925 -11.502 -4.821 578 HG23 VAL 76 HG23 VAL 76 5.378 -12.434 -6.266 579 H ALA 77 H ALA 77 2.779 -11.739 -9.667 580 HA ALA 77 HA ALA 77 1.928 -9.359 -11.102 581 HB1 ALA 77 HB1 ALA 77 2.181 -11.533 -12.199 582 HB2 ALA 77 HB2 ALA 77 0.952 -12.246 -11.128 583 HB3 ALA 77 HB3 ALA 77 0.496 -10.989 -12.291 584 H LYS 78 H LYS 78 0.210 -8.087 -10.770 585 HA LYS 78 HA LYS 78 -2.056 -8.969 -9.009 586 HB2 LYS 78 HB2 LYS 78 -1.013 -6.133 -9.318 587 HB3 LYS 78 HB3 LYS 78 -2.257 -6.684 -8.209 588 HG2 LYS 78 HG2 LYS 78 0.696 -7.456 -8.056 589 HG3 LYS 78 HG3 LYS 78 -0.077 -6.149 -7.178 590 HD2 LYS 78 HD2 LYS 78 -1.513 -7.750 -5.968 591 HD3 LYS 78 HD3 LYS 78 -0.805 -9.104 -6.873 592 HE2 LYS 78 HE2 LYS 78 1.423 -8.607 -5.949 593 HE3 LYS 78 HE3 LYS 78 0.787 -7.175 -5.130 594 HZ1 LYS 78 HZ1 LYS 78 0.114 -9.998 -4.483 595 HZ2 LYS 78 HZ2 LYS 78 0.925 -8.918 -3.549 596 HZ3 LYS 78 HZ3 LYS 78 -0.666 -8.696 -3.832 597 H LYS 79 H LYS 79 -4.116 -8.356 -9.574 598 HA LYS 79 HA LYS 79 -4.799 -7.078 -12.158 599 HB2 LYS 79 HB2 LYS 79 -5.030 -10.015 -11.379 600 HB3 LYS 79 HB3 LYS 79 -6.288 -9.315 -12.368 601 HG2 LYS 79 HG2 LYS 79 -4.616 -8.665 -14.084 602 HG3 LYS 79 HG3 LYS 79 -3.321 -9.315 -13.067 603 HD2 LYS 79 HD2 LYS 79 -3.849 -10.929 -14.779 604 HD3 LYS 79 HD3 LYS 79 -4.326 -11.577 -13.205 605 HE2 LYS 79 HE2 LYS 79 -6.694 -10.928 -13.664 606 HE3 LYS 79 HE3 LYS 79 -6.197 -10.264 -15.230 607 HZ1 LYS 79 HZ1 LYS 79 -5.466 -12.493 -15.861 608 HZ2 LYS 79 HZ2 LYS 79 -5.998 -13.114 -14.413 609 HZ3 LYS 79 HZ3 LYS 79 -7.056 -12.475 -15.498 610 HA PRO 80 HA PRO 80 -8.451 -6.071 -9.661 611 HB2 PRO 80 HB2 PRO 80 -10.692 -6.801 -11.094 612 HB3 PRO 80 HB3 PRO 80 -9.720 -5.331 -11.421 613 HG2 PRO 80 HG2 PRO 80 -9.547 -8.019 -12.797 614 HG3 PRO 80 HG3 PRO 80 -9.612 -6.391 -13.539 615 HD2 PRO 80 HD2 PRO 80 -7.253 -7.663 -13.228 616 HD3 PRO 80 HD3 PRO 80 -7.397 -5.920 -12.933 617 H GLY 81 H GLY 81 -9.353 -7.087 -7.967 618 HA2 GLY 81 HA2 GLY 81 -10.078 -8.803 -6.575 619 HA3 GLY 81 HA3 GLY 81 -9.967 -9.967 -7.894 620 H SER 82 H SER 82 -7.342 -7.797 -6.744 621 HA SER 82 HA SER 82 -5.829 -10.162 -5.648 622 HB2 SER 82 HB2 SER 82 -4.741 -7.846 -7.307 623 HB3 SER 82 HB3 SER 82 -3.739 -8.965 -6.386 624 HG SER 82 HG SER 82 -5.535 -9.850 -8.411 625 H THR 83 H THR 83 -4.454 -9.686 -3.767 626 HA THR 83 HA THR 83 -5.117 -7.102 -2.455 627 HB THR 83 HB THR 83 -4.165 -8.310 -0.411 628 HG1 THR 83 HG1 THR 83 -3.864 -10.392 -0.538 629 HG21 THR 83 HG21 THR 83 -6.552 -7.849 -0.738 630 HG22 THR 83 HG22 THR 83 -6.708 -9.274 -1.792 631 HG23 THR 83 HG23 THR 83 -6.330 -9.470 -0.062 632 H VAL 84 H VAL 84 -3.657 -5.845 -1.382 633 HA VAL 84 HA VAL 84 -0.752 -6.153 -1.945 634 HB VAL 84 HB VAL 84 -0.640 -3.726 -2.550 635 HG11 VAL 84 HG11 VAL 84 -2.275 -5.410 -4.479 636 HG12 VAL 84 HG12 VAL 84 -1.284 -3.996 -4.879 637 HG13 VAL 84 HG13 VAL 84 -0.511 -5.470 -4.271 638 HG21 VAL 84 HG21 VAL 84 -3.657 -3.912 -2.959 639 HG22 VAL 84 HG22 VAL 84 -2.856 -2.995 -1.667 640 HG23 VAL 84 HG23 VAL 84 -2.604 -2.544 -3.357 641 H ILE 85 H ILE 85 0.593 -4.648 -0.725 642 HA ILE 85 HA ILE 85 -0.533 -3.636 1.805 643 HB ILE 85 HB ILE 85 1.823 -4.518 2.763 644 HG12 ILE 85 HG12 ILE 85 2.215 -6.851 2.257 645 HG13 ILE 85 HG13 ILE 85 0.994 -6.848 0.987 646 HG21 ILE 85 HG21 ILE 85 -0.767 -6.084 2.717 647 HG22 ILE 85 HG22 ILE 85 0.572 -6.328 3.859 648 HG23 ILE 85 HG23 ILE 85 -0.298 -4.794 3.860 649 HD11 ILE 85 HD11 ILE 85 3.354 -6.715 0.164 650 HD12 ILE 85 HD12 ILE 85 2.375 -5.340 -0.374 651 HD13 ILE 85 HD13 ILE 85 3.510 -5.146 0.984 652 H ALA 86 H ALA 86 0.570 -2.022 2.840 653 HA ALA 86 HA ALA 86 1.527 -0.038 1.134 654 HB1 ALA 86 HB1 ALA 86 0.308 0.352 3.236 655 HB2 ALA 86 HB2 ALA 86 1.724 -0.188 4.166 656 HB3 ALA 86 HB3 ALA 86 1.808 1.285 3.176 657 H GLY 87 H GLY 87 3.481 1.118 1.008 658 HA2 GLY 87 HA2 GLY 87 5.778 1.557 1.171 659 HA3 GLY 87 HA3 GLY 87 5.939 0.199 2.293 660 H SER 88 H SER 88 4.451 -1.279 -0.135 661 HA SER 88 HA SER 88 6.918 -2.222 -1.507 662 HB2 SER 88 HB2 SER 88 4.042 -3.189 -1.728 663 HB3 SER 88 HB3 SER 88 5.471 -3.933 -2.477 664 HG SER 88 HG SER 88 4.804 -3.681 0.257 665 H ILE 89 H ILE 89 6.867 -2.356 -3.919 666 HA ILE 89 HA ILE 89 5.943 0.272 -4.945 667 HB ILE 89 HB ILE 89 7.773 -1.229 -6.672 668 HG12 ILE 89 HG12 ILE 89 8.762 -2.055 -4.585 669 HG13 ILE 89 HG13 ILE 89 9.818 -1.029 -5.526 670 HG21 ILE 89 HG21 ILE 89 7.836 1.570 -5.465 671 HG22 ILE 89 HG22 ILE 89 8.912 0.963 -6.742 672 HG23 ILE 89 HG23 ILE 89 7.175 1.104 -7.043 673 HD11 ILE 89 HD11 ILE 89 8.325 -0.103 -3.036 674 HD12 ILE 89 HD12 ILE 89 9.999 -0.658 -3.097 675 HD13 ILE 89 HD13 ILE 89 9.534 0.815 -3.968 676 H ASN 90 H ASN 90 4.835 0.548 -6.858 677 HA ASN 90 HA ASN 90 3.634 -1.836 -8.198 678 HB2 ASN 90 HB2 ASN 90 2.092 -0.171 -7.094 679 HB3 ASN 90 HB3 ASN 90 2.800 1.106 -8.074 680 HD21 ASN 90 HD22 ASN 90 1.492 1.623 -9.771 681 HD22 ASN 90 HD21 ASN 90 0.439 0.475 -10.579 682 H GLN 91 H GLN 91 3.961 -2.133 -10.473 683 HA GLN 91 HA GLN 91 4.893 0.103 -12.080 684 HB2 GLN 91 HB2 GLN 91 6.986 -0.908 -11.096 685 HB3 GLN 91 HB3 GLN 91 6.577 -2.438 -11.872 686 HG2 GLN 91 HG2 GLN 91 8.279 -1.054 -13.106 687 HG3 GLN 91 HG3 GLN 91 6.867 -1.467 -14.076 688 HE21 GLN 91 HE22 GLN 91 8.185 1.242 -12.023 689 HE22 GLN 91 HE21 GLN 91 7.294 2.470 -12.926 690 H ASN 92 H ASN 92 4.424 -0.085 -14.236 691 HA ASN 92 HA ASN 92 4.123 -1.335 -16.235 692 HB2 ASN 92 HB2 ASN 92 3.568 -3.539 -15.244 693 HB3 ASN 92 HB3 ASN 92 2.004 -2.875 -14.749 694 HD21 ASN 92 HD22 ASN 92 0.382 -3.579 -16.072 695 HD22 ASN 92 HD21 ASN 92 0.594 -3.861 -17.787 696 H GLY 93 H GLY 93 1.319 -0.642 -14.080 697 HA2 GLY 93 HA2 GLY 93 0.630 1.777 -15.588 698 HA3 GLY 93 HA3 GLY 93 -0.474 0.431 -15.846 699 H SER 94 H SER 94 -1.593 2.591 -14.949 700 HA SER 94 HA SER 94 -1.633 2.923 -12.084 701 HB2 SER 94 HB2 SER 94 -3.688 3.942 -14.076 702 HB3 SER 94 HB3 SER 94 -3.374 4.549 -12.443 703 HG SER 94 HG SER 94 -1.719 4.678 -14.743 704 H LEU 95 H LEU 95 -3.014 2.141 -10.552 705 HA LEU 95 HA LEU 95 -5.313 0.416 -11.411 706 HB2 LEU 95 HB2 LEU 95 -3.834 0.019 -8.854 707 HB3 LEU 95 HB3 LEU 95 -4.816 -1.119 -9.711 708 HG LEU 95 HG LEU 95 -1.982 -0.258 -10.468 709 HD11 LEU 95 HD11 LEU 95 -3.075 -2.716 -9.020 710 HD12 LEU 95 HD12 LEU 95 -1.393 -2.488 -9.517 711 HD13 LEU 95 HD13 LEU 95 -2.085 -1.423 -8.306 712 HD21 LEU 95 HD21 LEU 95 -2.043 -2.180 -11.958 713 HD22 LEU 95 HD22 LEU 95 -3.688 -2.591 -11.408 714 HD23 LEU 95 HD23 LEU 95 -3.392 -1.117 -12.363 715 H LEU 96 H LEU 96 -7.015 0.156 -9.787 716 HA LEU 96 HA LEU 96 -7.234 2.420 -7.828 717 HB2 LEU 96 HB2 LEU 96 -9.464 0.948 -9.274 718 HB3 LEU 96 HB3 LEU 96 -9.706 1.862 -7.817 719 HG LEU 96 HG LEU 96 -10.430 3.241 -9.541 720 HD11 LEU 96 HD11 LEU 96 -8.999 4.296 -7.747 721 HD12 LEU 96 HD12 LEU 96 -7.663 4.285 -8.924 722 HD13 LEU 96 HD13 LEU 96 -9.135 5.214 -9.259 723 HD21 LEU 96 HD21 LEU 96 -9.342 2.335 -11.514 724 HD22 LEU 96 HD22 LEU 96 -9.060 4.059 -11.402 725 HD23 LEU 96 HD23 LEU 96 -7.760 2.934 -10.974 726 H ILE 97 H ILE 97 -7.096 1.957 -5.808 727 HA ILE 97 HA ILE 97 -7.340 -0.864 -4.892 728 HB ILE 97 HB ILE 97 -5.914 1.406 -3.480 729 HG12 ILE 97 HG12 ILE 97 -4.812 1.361 -5.619 730 HG13 ILE 97 HG13 ILE 97 -3.774 0.737 -4.357 731 HG21 ILE 97 HG21 ILE 97 -5.653 -1.624 -3.306 732 HG22 ILE 97 HG22 ILE 97 -4.654 -0.455 -2.417 733 HG23 ILE 97 HG23 ILE 97 -6.392 -0.553 -2.107 734 HD11 ILE 97 HD11 ILE 97 -3.633 -0.553 -6.477 735 HD12 ILE 97 HD12 ILE 97 -4.119 -1.544 -5.090 736 HD13 ILE 97 HD13 ILE 97 -5.327 -1.029 -6.294 737 H CYS 98 H CYS 98 -9.014 -1.343 -3.506 738 HA CYS 98 HA CYS 98 -10.360 0.901 -2.067 739 HB2 CYS 98 HB2 CYS 98 -12.121 -0.685 -1.506 740 HB3 CYS 98 HB3 CYS 98 -11.917 -0.498 -3.252 741 HG CYS 98 HG CYS 98 -10.425 -2.811 -1.451 742 H ALA 99 H ALA 99 -9.812 1.338 -0.082 743 HA ALA 99 HA ALA 99 -7.673 -0.198 1.174 744 HB1 ALA 99 HB1 ALA 99 -9.154 2.303 2.094 745 HB2 ALA 99 HB2 ALA 99 -7.641 1.666 2.781 746 HB3 ALA 99 HB3 ALA 99 -7.678 2.267 1.109 747 H THR 100 H THR 100 -7.730 -1.548 2.911 748 HA THR 100 HA THR 100 -10.311 -1.847 4.429 749 HB THR 100 HB THR 100 -9.504 -4.100 5.041 750 HG1 THR 100 HG1 THR 100 -7.805 -4.940 3.758 751 HG21 THR 100 HG21 THR 100 -11.011 -3.811 3.087 752 HG22 THR 100 HG22 THR 100 -9.596 -3.682 2.018 753 HG23 THR 100 HG23 THR 100 -9.923 -5.190 2.904 754 H HIS 101 H HIS 101 -7.038 -0.791 4.729 755 HA HIS 101 HA HIS 101 -7.517 -0.323 7.622 756 HB2 HIS 101 HB2 HIS 101 -4.950 -1.434 6.417 757 HB3 HIS 101 HB3 HIS 101 -5.172 -0.943 8.097 758 HD1 HIS 101 HD1 HIS 101 -6.020 -3.791 5.712 759 HD2 HIS 101 HD2 HIS 101 -6.820 -2.510 9.638 760 HE1 HIS 101 HE1 HIS 101 -7.237 -5.724 6.868 761 H VAL 102 H VAL 102 -6.788 1.607 8.365 762 HA VAL 102 HA VAL 102 -5.818 3.672 6.541 763 HB VAL 102 HB VAL 102 -5.680 5.036 8.650 764 HG11 VAL 102 HG11 VAL 102 -7.652 4.900 7.110 765 HG12 VAL 102 HG12 VAL 102 -8.342 3.641 8.159 766 HG13 VAL 102 HG13 VAL 102 -8.073 5.294 8.777 767 HG21 VAL 102 HG21 VAL 102 -6.727 4.253 10.677 768 HG22 VAL 102 HG22 VAL 102 -6.972 2.638 9.991 769 HG23 VAL 102 HG23 VAL 102 -5.328 3.244 10.296 770 H GLY 103 H GLY 103 -3.748 5.047 7.426 771 HA2 GLY 103 HA2 GLY 103 -1.661 3.171 6.576 772 HA3 GLY 103 HA3 GLY 103 -1.476 4.878 6.847 773 H ALA 104 H ALA 104 -2.456 4.991 9.580 774 HA ALA 104 HA ALA 104 -0.235 4.121 11.143 775 HB1 ALA 104 HB1 ALA 104 -3.094 4.814 11.958 776 HB2 ALA 104 HB2 ALA 104 -1.704 4.698 13.055 777 HB3 ALA 104 HB3 ALA 104 -1.735 5.949 11.800 778 H ASP 105 H ASP 105 -3.495 2.653 10.817 779 HA ASP 105 HA ASP 105 -2.863 0.333 12.342 780 HB2 ASP 105 HB2 ASP 105 -5.153 1.408 11.928 781 HB3 ASP 105 HB3 ASP 105 -5.175 0.507 10.407 782 H THR 106 H THR 106 -1.525 0.907 9.387 783 HA THR 106 HA THR 106 -1.984 -1.599 7.991 784 HB THR 106 HB THR 106 0.126 -1.120 6.779 785 HG1 THR 106 HG1 THR 106 0.169 1.361 8.074 786 HG21 THR 106 HG21 THR 106 -1.845 -0.371 5.746 787 HG22 THR 106 HG22 THR 106 -1.938 1.051 6.781 788 HG23 THR 106 HG23 THR 106 -0.624 0.913 5.592 789 H THR 107 H THR 107 -0.751 -3.433 7.889 790 HA THR 107 HA THR 107 0.139 -4.480 10.300 791 HB THR 107 HB THR 107 -0.663 -5.767 8.353 792 HG1 THR 107 HG1 THR 107 0.239 -6.958 9.925 793 HG21 THR 107 HG21 THR 107 2.188 -5.550 7.289 794 HG22 THR 107 HG22 THR 107 0.861 -6.516 6.621 795 HG23 THR 107 HG23 THR 107 0.765 -4.753 6.569 796 H LEU 108 H LEU 108 2.102 -2.551 8.184 797 HA LEU 108 HA LEU 108 4.757 -3.180 8.858 798 HB2 LEU 108 HB2 LEU 108 3.270 -0.541 8.493 799 HB3 LEU 108 HB3 LEU 108 5.002 -0.604 8.775 800 HG LEU 108 HG LEU 108 5.398 -1.754 6.675 801 HD11 LEU 108 HD11 LEU 108 2.388 -1.568 6.263 802 HD12 LEU 108 HD12 LEU 108 3.580 -1.961 4.997 803 HD13 LEU 108 HD13 LEU 108 3.359 -3.074 6.346 804 HD21 LEU 108 HD21 LEU 108 5.249 0.702 6.766 805 HD22 LEU 108 HD22 LEU 108 4.680 0.099 5.196 806 HD23 LEU 108 HD23 LEU 108 3.505 0.614 6.435 807 H SER 109 H SER 109 2.406 -1.226 10.698 808 HA SER 109 HA SER 109 4.163 -0.587 12.902 809 HB2 SER 109 HB2 SER 109 2.154 0.247 13.968 810 HB3 SER 109 HB3 SER 109 2.157 0.743 12.265 811 HG SER 109 HG SER 109 0.616 -0.816 11.812 812 H GLN 110 H GLN 110 2.173 -3.333 12.153 813 HA GLN 110 HA GLN 110 2.068 -4.415 14.892 814 HB2 GLN 110 HB2 GLN 110 0.267 -4.718 13.068 815 HB3 GLN 110 HB3 GLN 110 1.345 -5.884 12.342 816 HG2 GLN 110 HG2 GLN 110 0.020 -7.251 13.633 817 HG3 GLN 110 HG3 GLN 110 1.393 -7.024 14.715 818 HE21 GLN 110 HE22 GLN 110 -1.859 -5.667 13.896 819 HE22 GLN 110 HE21 GLN 110 -2.178 -5.073 15.510 820 H ILE 111 H ILE 111 3.843 -5.092 11.856 821 HA ILE 111 HA ILE 111 5.324 -7.329 12.661 822 HB ILE 111 HB ILE 111 5.974 -5.062 10.747 823 HG12 ILE 111 HG12 ILE 111 5.279 -7.989 10.196 824 HG13 ILE 111 HG13 ILE 111 4.054 -6.743 10.328 825 HG21 ILE 111 HG21 ILE 111 7.570 -7.639 11.157 826 HG22 ILE 111 HG22 ILE 111 7.793 -6.499 9.816 827 HG23 ILE 111 HG23 ILE 111 8.152 -5.985 11.455 828 HD11 ILE 111 HD11 ILE 111 5.109 -5.496 8.437 829 HD12 ILE 111 HD12 ILE 111 6.247 -6.849 8.223 830 HD13 ILE 111 HD13 ILE 111 4.511 -7.109 8.000 831 H VAL 112 H VAL 112 6.328 -3.848 13.166 832 HA VAL 112 HA VAL 112 8.682 -4.624 14.592 833 HB VAL 112 HB VAL 112 8.789 -2.294 15.335 834 HG11 VAL 112 HG11 VAL 112 8.016 -2.582 12.404 835 HG12 VAL 112 HG12 VAL 112 8.972 -1.271 13.113 836 HG13 VAL 112 HG13 VAL 112 9.619 -2.918 13.092 837 HG21 VAL 112 HG21 VAL 112 6.321 -1.880 15.616 838 HG22 VAL 112 HG22 VAL 112 7.169 -0.638 14.690 839 HG23 VAL 112 HG23 VAL 112 6.171 -1.837 13.846 840 H LYS 113 H LYS 113 5.431 -4.668 15.693 841 HA LYS 113 HA LYS 113 6.095 -4.536 18.576 842 HB2 LYS 113 HB2 LYS 113 3.496 -5.000 17.130 843 HB3 LYS 113 HB3 LYS 113 3.703 -5.160 18.880 844 HG2 LYS 113 HG2 LYS 113 4.577 -2.853 19.038 845 HG3 LYS 113 HG3 LYS 113 4.343 -2.630 17.305 846 HD2 LYS 113 HD2 LYS 113 2.140 -3.186 19.333 847 HD3 LYS 113 HD3 LYS 113 2.546 -1.605 18.626 848 HE2 LYS 113 HE2 LYS 113 2.111 -2.537 16.370 849 HE3 LYS 113 HE3 LYS 113 1.582 -4.056 17.110 850 HZ1 LYS 113 HZ1 LYS 113 -0.252 -2.364 16.569 851 HZ2 LYS 113 HZ2 LYS 113 -0.251 -2.877 18.148 852 HZ3 LYS 113 HZ3 LYS 113 0.360 -1.422 17.731 853 H LEU 114 H LEU 114 5.766 -6.916 16.042 854 HA LEU 114 HA LEU 114 5.931 -9.257 17.829 855 HB2 LEU 114 HB2 LEU 114 5.796 -8.710 14.866 856 HB3 LEU 114 HB3 LEU 114 6.626 -10.177 15.363 857 HG LEU 114 HG LEU 114 3.767 -9.430 16.023 858 HD11 LEU 114 HD11 LEU 114 4.892 -11.446 14.029 859 HD12 LEU 114 HD12 LEU 114 3.173 -11.167 14.382 860 HD13 LEU 114 HD13 LEU 114 4.131 -9.892 13.619 861 HD21 LEU 114 HD21 LEU 114 3.676 -11.954 16.585 862 HD22 LEU 114 HD22 LEU 114 5.459 -11.919 16.560 863 HD23 LEU 114 HD23 LEU 114 4.549 -10.939 17.729 864 H VAL 115 H VAL 115 8.103 -7.740 15.402 865 HA VAL 115 HA VAL 115 10.265 -9.426 15.994 866 HB VAL 115 HB VAL 115 10.221 -6.721 14.619 867 HG11 VAL 115 HG11 VAL 115 12.392 -8.870 14.583 868 HG12 VAL 115 HG12 VAL 115 12.311 -7.477 13.485 869 HG13 VAL 115 HG13 VAL 115 12.562 -7.220 15.208 870 HG21 VAL 115 HG21 VAL 115 8.826 -8.526 13.544 871 HG22 VAL 115 HG22 VAL 115 10.213 -8.068 12.554 872 HG23 VAL 115 HG23 VAL 115 10.257 -9.567 13.501 873 H GLU 116 H GLU 116 9.335 -6.549 17.828 874 HA GLU 116 HA GLU 116 11.979 -6.155 18.964 875 HB2 GLU 116 HB2 GLU 116 10.021 -4.499 18.954 876 HB3 GLU 116 HB3 GLU 116 9.360 -5.427 20.313 877 HG2 GLU 116 HG2 GLU 116 11.566 -5.076 21.508 878 HG3 GLU 116 HG3 GLU 116 12.106 -4.092 20.148 879 H GLU 117 H GLU 117 9.393 -8.584 19.703 880 HA GLU 117 HA GLU 117 10.601 -9.284 22.290 881 HB2 GLU 117 HB2 GLU 117 8.247 -10.218 20.609 882 HB3 GLU 117 HB3 GLU 117 8.803 -11.114 22.023 883 HG2 GLU 117 HG2 GLU 117 8.330 -8.185 22.458 884 HG3 GLU 117 HG3 GLU 117 6.933 -9.148 22.036 885 H ALA 118 H ALA 118 11.218 -9.762 18.984 886 HA ALA 118 HA ALA 118 11.712 -12.647 19.043 887 HB1 ALA 118 HB1 ALA 118 12.421 -10.628 16.882 888 HB2 ALA 118 HB2 ALA 118 12.286 -12.373 16.715 889 HB3 ALA 118 HB3 ALA 118 10.816 -11.429 17.036 890 H GLN 119 H GLN 119 13.619 -9.687 19.385 891 HA GLN 119 HA GLN 119 16.224 -11.077 19.454 892 HB2 GLN 119 HB2 GLN 119 15.384 -8.172 19.829 893 HB3 GLN 119 HB3 GLN 119 16.998 -8.769 20.152 894 HG2 GLN 119 HG2 GLN 119 17.131 -7.886 17.993 895 HG3 GLN 119 HG3 GLN 119 17.076 -9.657 17.763 896 HE21 GLN 119 HE22 GLN 119 14.870 -6.868 18.043 897 HE22 GLN 119 HE21 GLN 119 13.668 -7.697 17.080 Start of MODEL 10 1 H SER 1 H SER 1 18.903 -4.385 13.705 2 HA SER 1 HA SER 1 16.257 -3.461 14.727 3 HB2 SER 1 HB2 SER 1 19.062 -2.641 15.522 4 HB3 SER 1 HB3 SER 1 17.565 -2.028 16.252 5 HG SER 1 HG SER 1 17.250 -3.899 17.256 6 H GLU 2 H GLU 2 18.646 -2.534 12.363 7 HA GLU 2 HA GLU 2 17.627 0.189 11.957 8 HB2 GLU 2 HB2 GLU 2 19.943 -0.438 11.269 9 HB3 GLU 2 HB3 GLU 2 19.279 -1.609 10.114 10 HG2 GLU 2 HG2 GLU 2 18.076 0.250 8.956 11 HG3 GLU 2 HG3 GLU 2 18.767 1.397 10.105 12 H ALA 3 H ALA 3 17.167 -3.071 10.432 13 HA ALA 3 HA ALA 3 15.277 -2.314 8.515 14 HB1 ALA 3 HB1 ALA 3 15.713 -4.963 9.947 15 HB2 ALA 3 HB2 ALA 3 14.833 -4.735 8.421 16 HB3 ALA 3 HB3 ALA 3 16.573 -4.396 8.497 17 H LEU 4 H LEU 4 14.881 -3.021 11.930 18 HA LEU 4 HA LEU 4 12.024 -3.436 11.949 19 HB2 LEU 4 HB2 LEU 4 13.630 -4.115 13.776 20 HB3 LEU 4 HB3 LEU 4 13.850 -2.416 14.160 21 HG LEU 4 HG LEU 4 11.370 -2.267 14.678 22 HD11 LEU 4 HD11 LEU 4 11.630 -5.294 14.486 23 HD12 LEU 4 HD12 LEU 4 10.227 -4.412 15.149 24 HD13 LEU 4 HD13 LEU 4 10.637 -4.271 13.432 25 HD21 LEU 4 HD21 LEU 4 13.065 -2.492 16.445 26 HD22 LEU 4 HD22 LEU 4 11.583 -3.364 16.851 27 HD23 LEU 4 HD23 LEU 4 13.013 -4.264 16.285 28 H ALA 5 H ALA 5 14.026 -0.512 11.796 29 HA ALA 5 HA ALA 5 11.725 1.282 12.266 30 HB1 ALA 5 HB1 ALA 5 14.628 1.853 11.518 31 HB2 ALA 5 HB2 ALA 5 13.364 3.066 11.803 32 HB3 ALA 5 HB3 ALA 5 13.895 2.019 13.128 33 H LYS 6 H LYS 6 13.999 0.305 9.654 34 HA LYS 6 HA LYS 6 13.124 1.700 7.508 35 HB2 LYS 6 HB2 LYS 6 15.054 0.063 7.817 36 HB3 LYS 6 HB3 LYS 6 13.919 -1.206 7.317 37 HG2 LYS 6 HG2 LYS 6 13.626 -0.158 5.145 38 HG3 LYS 6 HG3 LYS 6 14.568 1.265 5.656 39 HD2 LYS 6 HD2 LYS 6 16.554 -0.163 6.009 40 HD3 LYS 6 HD3 LYS 6 15.629 -1.595 5.510 41 HE2 LYS 6 HE2 LYS 6 15.356 -0.707 3.265 42 HE3 LYS 6 HE3 LYS 6 16.065 0.841 3.746 43 HZ1 LYS 6 HZ1 LYS 6 18.169 -0.239 4.105 44 HZ2 LYS 6 HZ2 LYS 6 17.550 -1.729 3.941 45 HZ3 LYS 6 HZ3 LYS 6 17.676 -0.727 2.618 46 H LEU 7 H LEU 7 11.618 -1.399 8.534 47 HA LEU 7 HA LEU 7 9.794 -1.893 6.512 48 HB2 LEU 7 HB2 LEU 7 9.819 -2.236 9.495 49 HB3 LEU 7 HB3 LEU 7 8.224 -2.231 8.789 50 HG LEU 7 HG LEU 7 8.995 -4.472 9.098 51 HD11 LEU 7 HD11 LEU 7 8.547 -5.394 6.897 52 HD12 LEU 7 HD12 LEU 7 7.476 -4.036 7.249 53 HD13 LEU 7 HD13 LEU 7 8.848 -3.823 6.131 54 HD21 LEU 7 HD21 LEU 7 11.362 -4.337 8.936 55 HD22 LEU 7 HD22 LEU 7 10.810 -5.439 7.679 56 HD23 LEU 7 HD23 LEU 7 11.302 -3.785 7.252 57 H ILE 8 H ILE 8 9.256 0.410 9.150 58 HA ILE 8 HA ILE 8 6.736 1.388 8.091 59 HB ILE 8 HB ILE 8 8.522 2.444 10.291 60 HG12 ILE 8 HG12 ILE 8 7.706 0.240 10.788 61 HG13 ILE 8 HG13 ILE 8 6.872 1.407 11.800 62 HG21 ILE 8 HG21 ILE 8 5.697 3.290 9.539 63 HG22 ILE 8 HG22 ILE 8 6.495 3.662 11.072 64 HG23 ILE 8 HG23 ILE 8 7.164 4.300 9.572 65 HD11 ILE 8 HD11 ILE 8 4.874 1.204 10.234 66 HD12 ILE 8 HD12 ILE 8 5.752 -0.088 9.384 67 HD13 ILE 8 HD13 ILE 8 5.317 -0.289 11.080 68 H SER 9 H SER 9 10.050 2.302 7.506 69 HA SER 9 HA SER 9 9.509 5.042 6.670 70 HB2 SER 9 HB2 SER 9 11.962 3.304 6.200 71 HB3 SER 9 HB3 SER 9 11.852 5.057 6.006 72 HG SER 9 HG SER 9 12.772 4.326 8.009 73 H LEU 10 H LEU 10 9.644 1.876 5.075 74 HA LEU 10 HA LEU 10 9.712 2.774 2.370 75 HB2 LEU 10 HB2 LEU 10 8.699 0.283 3.767 76 HB3 LEU 10 HB3 LEU 10 8.218 0.576 2.115 77 HG LEU 10 HG LEU 10 10.724 0.892 1.554 78 HD11 LEU 10 HD11 LEU 10 10.908 -0.633 4.186 79 HD12 LEU 10 HD12 LEU 10 12.228 -0.458 2.998 80 HD13 LEU 10 HD13 LEU 10 11.610 0.969 3.839 81 HD21 LEU 10 HD21 LEU 10 9.562 -1.799 2.360 82 HD22 LEU 10 HD22 LEU 10 9.375 -0.984 0.796 83 HD23 LEU 10 HD23 LEU 10 10.974 -1.545 1.286 84 H GLN 11 H GLN 11 7.147 3.245 4.642 85 HA GLN 11 HA GLN 11 4.945 3.219 2.770 86 HB2 GLN 11 HB2 GLN 11 5.189 4.442 5.501 87 HB3 GLN 11 HB3 GLN 11 3.710 4.407 4.530 88 HG2 GLN 11 HG2 GLN 11 3.906 1.901 4.369 89 HG3 GLN 11 HG3 GLN 11 5.270 1.972 5.501 90 HE21 GLN 11 HE22 GLN 11 4.764 3.250 7.608 91 HE22 GLN 11 HE21 GLN 11 3.133 2.975 8.241 92 H ALA 12 H ALA 12 3.713 4.887 2.026 93 HA ALA 12 HA ALA 12 5.069 7.370 1.186 94 HB1 ALA 12 HB1 ALA 12 3.639 6.121 -0.391 95 HB2 ALA 12 HB2 ALA 12 2.262 6.280 0.718 96 HB3 ALA 12 HB3 ALA 12 2.951 7.723 -0.050 97 H THR 13 H THR 13 4.151 9.455 1.654 98 HA THR 13 HA THR 13 2.781 9.692 4.301 99 HB THR 13 HB THR 13 4.343 11.791 2.805 100 HG1 THR 13 HG1 THR 13 5.380 10.379 4.986 101 HG21 THR 13 HG21 THR 13 3.493 11.528 5.714 102 HG22 THR 13 HG22 THR 13 4.744 12.669 5.158 103 HG23 THR 13 HG23 THR 13 3.089 12.832 4.582 104 H GLU 14 H GLU 14 2.051 9.939 1.002 105 HA GLU 14 HA GLU 14 -0.405 11.504 1.565 106 HB2 GLU 14 HB2 GLU 14 -0.178 12.683 -0.524 107 HB3 GLU 14 HB3 GLU 14 1.234 12.983 0.477 108 HG2 GLU 14 HG2 GLU 14 1.209 10.940 -1.783 109 HG3 GLU 14 HG3 GLU 14 1.607 12.635 -2.013 110 H ALA 15 H ALA 15 -2.158 11.184 0.026 111 HA ALA 15 HA ALA 15 -2.062 8.762 -1.670 112 HB1 ALA 15 HB1 ALA 15 -4.072 9.136 0.593 113 HB2 ALA 15 HB2 ALA 15 -4.092 7.825 -0.610 114 HB3 ALA 15 HB3 ALA 15 -2.756 7.942 0.555 115 H THR 16 H THR 16 -3.696 8.669 -3.273 116 HA THR 16 HA THR 16 -5.322 11.159 -3.632 117 HB THR 16 HB THR 16 -4.855 9.156 -5.830 118 HG1 THR 16 HG1 THR 16 -3.261 10.393 -6.531 119 HG21 THR 16 HG21 THR 16 -5.369 11.164 -7.226 120 HG22 THR 16 HG22 THR 16 -6.714 10.772 -6.149 121 HG23 THR 16 HG23 THR 16 -5.625 12.118 -5.754 122 H ILE 17 H ILE 17 -7.360 10.993 -2.876 123 HA ILE 17 HA ILE 17 -8.864 8.429 -2.993 124 HB ILE 17 HB ILE 17 -9.947 11.072 -1.978 125 HG12 ILE 17 HG12 ILE 17 -8.354 9.107 -0.295 126 HG13 ILE 17 HG13 ILE 17 -7.877 10.752 -0.716 127 HG21 ILE 17 HG21 ILE 17 -10.609 8.196 -1.250 128 HG22 ILE 17 HG22 ILE 17 -11.500 9.655 -0.758 129 HG23 ILE 17 HG23 ILE 17 -11.510 9.168 -2.438 130 HD11 ILE 17 HD11 ILE 17 -10.229 9.975 1.045 131 HD12 ILE 17 HD12 ILE 17 -8.730 10.762 1.533 132 HD13 ILE 17 HD13 ILE 17 -9.876 11.632 0.496 133 H VAL 18 H VAL 18 -10.273 7.971 -4.690 134 HA VAL 18 HA VAL 18 -11.101 10.290 -6.402 135 HB VAL 18 HB VAL 18 -10.261 7.571 -7.401 136 HG11 VAL 18 HG11 VAL 18 -11.093 10.112 -8.867 137 HG12 VAL 18 HG12 VAL 18 -10.377 8.678 -9.631 138 HG13 VAL 18 HG13 VAL 18 -11.957 8.558 -8.860 139 HG21 VAL 18 HG21 VAL 18 -8.285 8.699 -6.680 140 HG22 VAL 18 HG22 VAL 18 -8.373 8.944 -8.426 141 HG23 VAL 18 HG23 VAL 18 -8.846 10.249 -7.327 142 H THR 19 H THR 19 -13.172 10.594 -6.789 143 HA THR 19 HA THR 19 -15.133 8.381 -6.389 144 HB THR 19 HB THR 19 -15.548 11.046 -5.013 145 HG1 THR 19 HG1 THR 19 -13.821 10.298 -3.952 146 HG21 THR 19 HG21 THR 19 -17.033 9.654 -3.557 147 HG22 THR 19 HG22 THR 19 -17.555 9.695 -5.236 148 HG23 THR 19 HG23 THR 19 -16.722 8.258 -4.609 149 H LEU 20 H LEU 20 -17.118 8.615 -7.362 150 HA LEU 20 HA LEU 20 -17.556 10.966 -9.144 151 HB2 LEU 20 HB2 LEU 20 -18.791 8.709 -10.353 152 HB3 LEU 20 HB3 LEU 20 -17.607 9.840 -10.937 153 HG LEU 20 HG LEU 20 -15.795 8.376 -9.779 154 HD11 LEU 20 HD11 LEU 20 -17.351 6.941 -8.395 155 HD12 LEU 20 HD12 LEU 20 -18.089 6.348 -9.895 156 HD13 LEU 20 HD13 LEU 20 -16.385 6.000 -9.536 157 HD21 LEU 20 HD21 LEU 20 -16.194 8.549 -12.164 158 HD22 LEU 20 HD22 LEU 20 -15.695 6.919 -11.679 159 HD23 LEU 20 HD23 LEU 20 -17.408 7.242 -12.051 160 H ASP 21 H ASP 21 -19.679 11.677 -9.531 161 HA ASP 21 HA ASP 21 -21.895 10.537 -7.942 162 HB2 ASP 21 HB2 ASP 21 -20.341 12.551 -6.843 163 HB3 ASP 21 HB3 ASP 21 -21.552 13.495 -7.665 164 H SER 22 H SER 22 -21.307 11.017 -10.834 165 HA SER 22 HA SER 22 -23.815 12.469 -11.620 166 HB2 SER 22 HB2 SER 22 -21.135 12.880 -12.979 167 HB3 SER 22 HB3 SER 22 -22.692 13.598 -13.450 168 HG SER 22 HG SER 22 -21.376 14.998 -12.215 169 H ASP 23 H ASP 23 -22.297 11.773 -14.426 170 HA ASP 23 HA ASP 23 -23.083 8.900 -14.555 171 HB2 ASP 23 HB2 ASP 23 -24.480 10.516 -15.845 172 HB3 ASP 23 HB3 ASP 23 -23.047 11.011 -16.746 173 H ASN 24 H ASN 24 -20.844 8.914 -13.445 174 HA ASN 24 HA ASN 24 -18.714 8.451 -13.334 175 HB2 ASN 24 HB2 ASN 24 -19.386 6.897 -15.284 176 HB3 ASN 24 HB3 ASN 24 -18.502 8.009 -16.317 177 HD21 ASN 24 HD22 ASN 24 -16.130 8.143 -15.869 178 HD22 ASN 24 HD21 ASN 24 -15.427 6.761 -14.998 179 H ILE 25 H ILE 25 -19.282 10.627 -16.001 180 HA ILE 25 HA ILE 25 -17.000 11.914 -16.497 181 HB ILE 25 HB ILE 25 -18.315 13.991 -16.976 182 HG12 ILE 25 HG12 ILE 25 -20.696 12.434 -15.860 183 HG13 ILE 25 HG13 ILE 25 -19.926 13.805 -15.059 184 HG21 ILE 25 HG21 ILE 25 -19.647 11.434 -17.959 185 HG22 ILE 25 HG22 ILE 25 -19.547 12.997 -18.790 186 HG23 ILE 25 HG23 ILE 25 -18.085 12.048 -18.538 187 HD11 ILE 25 HD11 ILE 25 -20.523 15.261 -16.969 188 HD12 ILE 25 HD12 ILE 25 -21.384 13.890 -17.722 189 HD13 ILE 25 HD13 ILE 25 -21.933 14.539 -16.169 190 H LEU 26 H LEU 26 -18.671 12.680 -13.451 191 HA LEU 26 HA LEU 26 -17.327 14.996 -12.672 192 HB2 LEU 26 HB2 LEU 26 -19.239 13.930 -11.486 193 HB3 LEU 26 HB3 LEU 26 -18.189 12.612 -10.971 194 HG LEU 26 HG LEU 26 -16.823 14.299 -9.648 195 HD11 LEU 26 HD11 LEU 26 -19.212 16.101 -10.222 196 HD12 LEU 26 HD12 LEU 26 -17.864 16.451 -9.125 197 HD13 LEU 26 HD13 LEU 26 -17.567 16.374 -10.868 198 HD21 LEU 26 HD21 LEU 26 -18.520 14.612 -7.872 199 HD22 LEU 26 HD22 LEU 26 -19.746 13.999 -8.997 200 HD23 LEU 26 HD23 LEU 26 -18.367 12.975 -8.457 201 H LEU 27 H LEU 27 -16.182 11.885 -12.703 202 HA LEU 27 HA LEU 27 -14.593 10.808 -10.991 203 HB2 LEU 27 HB2 LEU 27 -14.357 10.509 -13.481 204 HB3 LEU 27 HB3 LEU 27 -13.189 11.826 -13.486 205 HG LEU 27 HG LEU 27 -11.690 10.466 -11.992 206 HD11 LEU 27 HD11 LEU 27 -13.751 8.263 -12.430 207 HD12 LEU 27 HD12 LEU 27 -12.153 8.059 -11.696 208 HD13 LEU 27 HD13 LEU 27 -13.371 9.024 -10.867 209 HD21 LEU 27 HD21 LEU 27 -11.460 10.369 -14.451 210 HD22 LEU 27 HD22 LEU 27 -11.051 8.820 -13.695 211 HD23 LEU 27 HD23 LEU 27 -12.621 9.020 -14.505 212 H SER 28 H SER 28 -14.736 12.681 -9.336 213 HA SER 28 HA SER 28 -12.704 14.703 -9.303 214 HB2 SER 28 HB2 SER 28 -14.763 13.668 -7.334 215 HB3 SER 28 HB3 SER 28 -13.539 14.825 -6.817 216 HG SER 28 HG SER 28 -15.488 15.796 -7.534 217 H GLU 29 H GLU 29 -10.699 14.804 -8.285 218 HA GLU 29 HA GLU 29 -9.782 12.356 -6.852 219 HB2 GLU 29 HB2 GLU 29 -8.122 14.155 -8.634 220 HB3 GLU 29 HB3 GLU 29 -7.645 12.632 -7.856 221 HG2 GLU 29 HG2 GLU 29 -9.095 11.353 -9.290 222 HG3 GLU 29 HG3 GLU 29 -9.823 12.802 -9.969 223 H GLU 30 H GLU 30 -8.989 12.713 -4.812 224 HA GLU 30 HA GLU 30 -8.390 15.522 -3.935 225 HB2 GLU 30 HB2 GLU 30 -9.265 13.189 -2.201 226 HB3 GLU 30 HB3 GLU 30 -9.082 14.876 -1.737 227 HG2 GLU 30 HG2 GLU 30 -11.015 15.474 -3.171 228 HG3 GLU 30 HG3 GLU 30 -11.176 13.783 -3.669 229 H GLN 31 H GLN 31 -6.222 15.841 -3.434 230 HA GLN 31 HA GLN 31 -4.520 13.455 -2.891 231 HB2 GLN 31 HB2 GLN 31 -3.779 16.286 -3.710 232 HB3 GLN 31 HB3 GLN 31 -2.620 15.015 -3.274 233 HG2 GLN 31 HG2 GLN 31 -3.497 13.590 -5.103 234 HG3 GLN 31 HG3 GLN 31 -4.504 14.954 -5.671 235 HE21 GLN 31 HE22 GLN 31 -1.449 13.518 -5.377 236 HE22 GLN 31 HE21 GLN 31 -0.639 14.948 -5.216 237 H VAL 32 H VAL 32 -4.070 13.076 -0.851 238 HA VAL 32 HA VAL 32 -4.400 15.203 1.235 239 HB VAL 32 HB VAL 32 -5.704 13.686 2.594 240 HG11 VAL 32 HG11 VAL 32 -6.994 13.820 -0.153 241 HG12 VAL 32 HG12 VAL 32 -7.800 13.688 1.417 242 HG13 VAL 32 HG13 VAL 32 -6.916 15.169 1.007 243 HG21 VAL 32 HG21 VAL 32 -5.727 11.728 0.263 244 HG22 VAL 32 HG22 VAL 32 -4.832 11.498 1.783 245 HG23 VAL 32 HG23 VAL 32 -6.595 11.579 1.803 246 H ASP 33 H ASP 33 -3.746 14.402 3.392 247 HA ASP 33 HA ASP 33 -1.100 13.107 3.355 248 HB2 ASP 33 HB2 ASP 33 -1.651 15.062 4.795 249 HB3 ASP 33 HB3 ASP 33 -2.719 14.005 5.720 250 H VAL 34 H VAL 34 -0.595 11.114 4.283 251 HA VAL 34 HA VAL 34 -2.505 8.998 4.058 252 HB VAL 34 HB VAL 34 -0.049 8.805 3.769 253 HG11 VAL 34 HG11 VAL 34 0.042 8.652 6.809 254 HG12 VAL 34 HG12 VAL 34 1.378 8.342 5.689 255 HG13 VAL 34 HG13 VAL 34 0.695 9.974 5.821 256 HG21 VAL 34 HG21 VAL 34 -1.535 6.817 3.942 257 HG22 VAL 34 HG22 VAL 34 0.125 6.527 4.491 258 HG23 VAL 34 HG23 VAL 34 -1.174 6.729 5.677 259 H GLU 35 H GLU 35 -1.934 11.103 6.801 260 HA GLU 35 HA GLU 35 -3.585 9.365 8.558 261 HB2 GLU 35 HB2 GLU 35 -1.536 10.800 9.280 262 HB3 GLU 35 HB3 GLU 35 -2.658 12.155 9.200 263 HG2 GLU 35 HG2 GLU 35 -2.661 11.488 11.456 264 HG3 GLU 35 HG3 GLU 35 -4.154 10.814 10.836 265 H LEU 36 H LEU 36 -4.193 11.871 6.233 266 HA LEU 36 HA LEU 36 -6.803 12.639 7.411 267 HB2 LEU 36 HB2 LEU 36 -5.300 13.548 4.935 268 HB3 LEU 36 HB3 LEU 36 -6.861 14.179 5.443 269 HG LEU 36 HG LEU 36 -4.295 14.423 7.074 270 HD11 LEU 36 HD11 LEU 36 -5.821 16.473 5.406 271 HD12 LEU 36 HD12 LEU 36 -4.385 16.792 6.405 272 HD13 LEU 36 HD13 LEU 36 -4.246 15.752 4.984 273 HD21 LEU 36 HD21 LEU 36 -5.536 16.095 8.357 274 HD22 LEU 36 HD22 LEU 36 -7.027 15.661 7.478 275 HD23 LEU 36 HD23 LEU 36 -6.208 14.475 8.533 276 H VAL 37 H VAL 37 -5.619 10.292 5.204 277 HA VAL 37 HA VAL 37 -8.212 9.937 3.823 278 HB VAL 37 HB VAL 37 -6.176 9.424 2.597 279 HG11 VAL 37 HG11 VAL 37 -5.706 7.151 4.568 280 HG12 VAL 37 HG12 VAL 37 -4.799 7.468 3.075 281 HG13 VAL 37 HG13 VAL 37 -4.730 8.627 4.405 282 HG21 VAL 37 HG21 VAL 37 -8.289 8.208 2.073 283 HG22 VAL 37 HG22 VAL 37 -6.814 7.330 1.639 284 HG23 VAL 37 HG23 VAL 37 -7.724 6.856 3.083 285 H GLN 38 H GLN 38 -9.663 8.258 4.229 286 HA GLN 38 HA GLN 38 -9.343 6.734 6.794 287 HB2 GLN 38 HB2 GLN 38 -11.853 7.933 5.566 288 HB3 GLN 38 HB3 GLN 38 -11.842 6.834 6.930 289 HG2 GLN 38 HG2 GLN 38 -10.546 8.455 8.264 290 HG3 GLN 38 HG3 GLN 38 -10.568 9.602 6.913 291 HE21 GLN 38 HE22 GLN 38 -13.046 9.885 6.107 292 HE22 GLN 38 HE21 GLN 38 -14.186 9.855 7.463 293 H ARG 39 H ARG 39 -10.616 4.819 6.895 294 HA ARG 39 HA ARG 39 -10.486 3.169 4.436 295 HB2 ARG 39 HB2 ARG 39 -11.077 1.308 5.801 296 HB3 ARG 39 HB3 ARG 39 -9.869 2.257 6.669 297 HG2 ARG 39 HG2 ARG 39 -12.068 3.359 7.752 298 HG3 ARG 39 HG3 ARG 39 -12.801 1.838 7.251 299 HD2 ARG 39 HD2 ARG 39 -11.093 0.601 8.554 300 HD3 ARG 39 HD3 ARG 39 -10.324 2.128 8.986 301 HE ARG 39 HE ARG 39 -12.928 1.058 9.964 302 HH11 ARG 39 HH11 ARG 39 -10.707 3.815 10.216 303 HH12 ARG 39 HH12 ARG 39 -11.295 4.149 11.848 304 HH21 ARG 39 HH21 ARG 39 -13.707 1.826 11.910 305 HH22 ARG 39 HH22 ARG 39 -12.889 3.196 12.675 306 H GLY 40 H GLY 40 -12.257 2.557 3.125 307 HA2 GLY 40 HA2 GLY 40 -14.734 2.234 3.085 308 HA3 GLY 40 HA3 GLY 40 -14.875 3.849 3.763 309 H ASP 41 H ASP 41 -12.311 4.117 1.644 310 HA ASP 41 HA ASP 41 -14.054 4.823 -0.701 311 HB2 ASP 41 HB2 ASP 41 -11.626 6.255 0.417 312 HB3 ASP 41 HB3 ASP 41 -12.367 6.618 -1.143 313 H ILE 42 H ILE 42 -12.321 5.357 -2.619 314 HA ILE 42 HA ILE 42 -10.590 2.963 -3.000 315 HB ILE 42 HB ILE 42 -12.348 4.286 -5.093 316 HG12 ILE 42 HG12 ILE 42 -12.457 1.494 -3.848 317 HG13 ILE 42 HG13 ILE 42 -13.594 2.801 -3.529 318 HG21 ILE 42 HG21 ILE 42 -11.472 2.566 -6.635 319 HG22 ILE 42 HG22 ILE 42 -10.165 3.564 -6.044 320 HG23 ILE 42 HG23 ILE 42 -10.404 1.939 -5.357 321 HD11 ILE 42 HD11 ILE 42 -13.271 1.310 -6.150 322 HD12 ILE 42 HD12 ILE 42 -14.649 1.307 -5.044 323 HD13 ILE 42 HD13 ILE 42 -14.256 2.783 -5.950 324 H ILE 43 H ILE 43 -8.518 3.412 -3.394 325 HA ILE 43 HA ILE 43 -7.669 6.172 -3.950 326 HB ILE 43 HB ILE 43 -6.210 3.818 -2.694 327 HG12 ILE 43 HG12 ILE 43 -8.017 4.251 -1.200 328 HG13 ILE 43 HG13 ILE 43 -6.532 4.847 -0.489 329 HG21 ILE 43 HG21 ILE 43 -4.627 5.468 -1.815 330 HG22 ILE 43 HG22 ILE 43 -4.674 5.517 -3.577 331 HG23 ILE 43 HG23 ILE 43 -5.496 6.773 -2.638 332 HD11 ILE 43 HD11 ILE 43 -7.179 7.180 -1.094 333 HD12 ILE 43 HD12 ILE 43 -8.695 6.557 -1.788 334 HD13 ILE 43 HD13 ILE 43 -8.382 6.381 -0.062 335 H LYS 44 H LYS 44 -6.611 6.588 -5.867 336 HA LYS 44 HA LYS 44 -5.791 4.334 -7.588 337 HB2 LYS 44 HB2 LYS 44 -5.913 7.298 -8.144 338 HB3 LYS 44 HB3 LYS 44 -5.390 6.049 -9.294 339 HG2 LYS 44 HG2 LYS 44 -7.608 4.846 -8.789 340 HG3 LYS 44 HG3 LYS 44 -8.113 6.317 -7.961 341 HD2 LYS 44 HD2 LYS 44 -9.033 6.471 -10.091 342 HD3 LYS 44 HD3 LYS 44 -7.616 7.544 -10.159 343 HE2 LYS 44 HE2 LYS 44 -6.338 5.852 -11.376 344 HE3 LYS 44 HE3 LYS 44 -7.606 4.651 -11.095 345 HZ1 LYS 44 HZ1 LYS 44 -7.865 7.036 -12.830 346 HZ2 LYS 44 HZ2 LYS 44 -7.822 5.452 -13.299 347 HZ3 LYS 44 HZ3 LYS 44 -9.102 6.002 -12.451 348 H VAL 45 H VAL 45 -3.814 3.602 -7.983 349 HA VAL 45 HA VAL 45 -1.455 5.098 -6.918 350 HB VAL 45 HB VAL 45 -2.045 2.983 -5.790 351 HG11 VAL 45 HG11 VAL 45 -1.284 1.593 -8.390 352 HG12 VAL 45 HG12 VAL 45 -1.547 0.817 -6.822 353 HG13 VAL 45 HG13 VAL 45 -2.891 1.634 -7.624 354 HG21 VAL 45 HG21 VAL 45 0.294 3.806 -5.789 355 HG22 VAL 45 HG22 VAL 45 0.226 2.042 -5.751 356 HG23 VAL 45 HG23 VAL 45 0.635 2.884 -7.263 357 H VAL 46 H VAL 46 0.213 5.652 -8.224 358 HA VAL 46 HA VAL 46 -0.153 5.125 -11.116 359 HB VAL 46 HB VAL 46 1.076 7.086 -11.566 360 HG11 VAL 46 HG11 VAL 46 -0.261 8.795 -10.532 361 HG12 VAL 46 HG12 VAL 46 -1.276 7.382 -10.861 362 HG13 VAL 46 HG13 VAL 46 -0.717 7.720 -9.203 363 HG21 VAL 46 HG21 VAL 46 2.890 6.940 -9.893 364 HG22 VAL 46 HG22 VAL 46 2.121 8.528 -9.920 365 HG23 VAL 46 HG23 VAL 46 1.740 7.387 -8.622 366 HA PRO 47 HA PRO 47 3.541 2.745 -11.841 367 HB2 PRO 47 HB2 PRO 47 4.408 4.850 -13.807 368 HB3 PRO 47 HB3 PRO 47 4.360 3.069 -14.005 369 HG2 PRO 47 HG2 PRO 47 2.414 4.588 -15.108 370 HG3 PRO 47 HG3 PRO 47 1.983 3.084 -14.230 371 HD2 PRO 47 HD2 PRO 47 1.905 5.929 -13.220 372 HD3 PRO 47 HD3 PRO 47 0.650 4.658 -13.086 373 H GLY 48 H GLY 48 5.575 2.605 -10.908 374 HA2 GLY 48 HA2 GLY 48 7.468 3.236 -9.722 375 HA3 GLY 48 HA3 GLY 48 7.271 4.875 -10.351 376 H GLY 49 H GLY 49 4.352 4.494 -8.929 377 HA2 GLY 49 HA2 GLY 49 5.050 5.942 -6.518 378 HA3 GLY 49 HA3 GLY 49 3.446 5.425 -7.038 379 H LYS 50 H LYS 50 4.355 5.363 -4.385 380 HA LYS 50 HA LYS 50 4.727 2.474 -3.729 381 HB2 LYS 50 HB2 LYS 50 4.914 4.988 -2.041 382 HB3 LYS 50 HB3 LYS 50 5.128 3.342 -1.420 383 HG2 LYS 50 HG2 LYS 50 7.104 2.983 -2.724 384 HG3 LYS 50 HG3 LYS 50 6.860 4.472 -3.659 385 HD2 LYS 50 HD2 LYS 50 7.180 5.839 -1.650 386 HD3 LYS 50 HD3 LYS 50 7.401 4.384 -0.662 387 HE2 LYS 50 HE2 LYS 50 9.396 3.765 -1.962 388 HE3 LYS 50 HE3 LYS 50 9.150 5.140 -3.044 389 HZ1 LYS 50 HZ1 LYS 50 9.452 6.618 -1.123 390 HZ2 LYS 50 HZ2 LYS 50 9.733 5.371 -0.128 391 HZ3 LYS 50 HZ3 LYS 50 10.792 5.703 -1.364 392 H PHE 51 H PHE 51 3.398 1.361 -2.306 393 HA PHE 51 HA PHE 51 0.568 2.118 -2.311 394 HB2 PHE 51 HB2 PHE 51 2.108 -0.292 -1.352 395 HB3 PHE 51 HB3 PHE 51 0.411 -0.070 -0.965 396 HD1 PHE 51 HD1 PHE 51 2.738 -0.191 -3.941 397 HD2 PHE 51 HD2 PHE 51 -1.258 -0.794 -2.454 398 HE1 PHE 51 HE1 PHE 51 2.080 -1.120 -6.126 399 HE2 PHE 51 HE2 PHE 51 -1.924 -1.716 -4.661 400 HZ PHE 51 HZ PHE 51 -0.262 -1.888 -6.501 401 HA PRO 52 HA PRO 52 1.211 4.224 1.590 402 HB2 PRO 52 HB2 PRO 52 -1.166 5.502 1.890 403 HB3 PRO 52 HB3 PRO 52 -0.039 5.885 0.555 404 HG2 PRO 52 HG2 PRO 52 -2.466 4.068 0.469 405 HG3 PRO 52 HG3 PRO 52 -2.025 5.383 -0.666 406 HD2 PRO 52 HD2 PRO 52 -1.434 2.749 -1.158 407 HD3 PRO 52 HD3 PRO 52 -0.364 4.084 -1.680 408 H VAL 53 H VAL 53 -1.153 1.689 1.395 409 HA VAL 53 HA VAL 53 -1.111 1.101 4.218 410 HB VAL 53 HB VAL 53 -3.589 0.918 4.440 411 HG11 VAL 53 HG11 VAL 53 -2.635 3.787 4.146 412 HG12 VAL 53 HG12 VAL 53 -3.963 3.186 5.145 413 HG13 VAL 53 HG13 VAL 53 -2.298 2.733 5.538 414 HG21 VAL 53 HG21 VAL 53 -3.691 2.861 2.104 415 HG22 VAL 53 HG22 VAL 53 -4.181 1.147 2.031 416 HG23 VAL 53 HG23 VAL 53 -5.054 2.279 3.083 417 H ASP 54 H ASP 54 -2.497 -1.060 4.509 418 HA ASP 54 HA ASP 54 -2.070 -2.727 2.084 419 HB2 ASP 54 HB2 ASP 54 -2.147 -4.667 3.421 420 HB3 ASP 54 HB3 ASP 54 -0.969 -3.551 4.092 421 H GLY 55 H GLY 55 -3.699 -4.086 1.268 422 HA2 GLY 55 HA2 GLY 55 -6.448 -3.997 2.023 423 HA3 GLY 55 HA3 GLY 55 -6.143 -2.623 0.971 424 H ARG 56 H ARG 56 -7.479 -3.363 -0.558 425 HA ARG 56 HA ARG 56 -6.598 -5.717 -2.211 426 HB2 ARG 56 HB2 ARG 56 -8.671 -5.917 -0.566 427 HB3 ARG 56 HB3 ARG 56 -9.539 -5.169 -1.906 428 HG2 ARG 56 HG2 ARG 56 -8.754 -7.001 -3.409 429 HG3 ARG 56 HG3 ARG 56 -7.874 -7.717 -2.054 430 HD2 ARG 56 HD2 ARG 56 -10.885 -7.469 -2.381 431 HD3 ARG 56 HD3 ARG 56 -9.900 -8.936 -2.364 432 HE ARG 56 HE ARG 56 -9.631 -8.784 0.004 433 HH11 ARG 56 HH11 ARG 56 -12.086 -6.437 -1.057 434 HH12 ARG 56 HH12 ARG 56 -12.393 -6.045 0.628 435 HH21 ARG 56 HH21 ARG 56 -10.291 -8.288 1.952 436 HH22 ARG 56 HH22 ARG 56 -11.542 -7.048 2.191 437 H VAL 57 H VAL 57 -6.898 -5.712 -4.375 438 HA VAL 57 HA VAL 57 -7.325 -3.071 -5.706 439 HB VAL 57 HB VAL 57 -5.637 -5.499 -6.413 440 HG11 VAL 57 HG11 VAL 57 -6.639 -4.738 -8.524 441 HG12 VAL 57 HG12 VAL 57 -6.172 -3.058 -8.162 442 HG13 VAL 57 HG13 VAL 57 -4.942 -4.317 -8.454 443 HG21 VAL 57 HG21 VAL 57 -3.787 -3.902 -6.361 444 HG22 VAL 57 HG22 VAL 57 -4.913 -2.563 -6.046 445 HG23 VAL 57 HG23 VAL 57 -4.662 -3.831 -4.826 446 H ILE 58 H ILE 58 -8.939 -2.864 -7.156 447 HA ILE 58 HA ILE 58 -10.297 -5.314 -8.233 448 HB ILE 58 HB ILE 58 -12.510 -4.208 -7.655 449 HG12 ILE 58 HG12 ILE 58 -10.851 -2.698 -5.601 450 HG13 ILE 58 HG13 ILE 58 -11.345 -1.950 -7.131 451 HG21 ILE 58 HG21 ILE 58 -11.557 -6.189 -6.479 452 HG22 ILE 58 HG22 ILE 58 -10.837 -5.095 -5.279 453 HG23 ILE 58 HG23 ILE 58 -12.597 -5.187 -5.465 454 HD11 ILE 58 HD11 ILE 58 -13.726 -2.341 -6.578 455 HD12 ILE 58 HD12 ILE 58 -13.235 -2.995 -4.994 456 HD13 ILE 58 HD13 ILE 58 -12.902 -1.301 -5.401 457 H GLU 59 H GLU 59 -8.577 -3.194 -9.541 458 HA GLU 59 HA GLU 59 -10.066 -3.352 -11.990 459 HB2 GLU 59 HB2 GLU 59 -10.497 -0.936 -10.489 460 HB3 GLU 59 HB3 GLU 59 -9.464 -0.514 -11.831 461 HG2 GLU 59 HG2 GLU 59 -12.146 -1.925 -12.045 462 HG3 GLU 59 HG3 GLU 59 -11.867 -0.206 -12.303 463 H GLY 60 H GLY 60 -8.652 -3.360 -13.698 464 HA2 GLY 60 HA2 GLY 60 -6.837 -2.628 -14.986 465 HA3 GLY 60 HA3 GLY 60 -6.113 -1.875 -13.582 466 H HIS 61 H HIS 61 -4.248 -2.802 -14.537 467 HA HIS 61 HA HIS 61 -3.515 -5.457 -13.426 468 HB2 HIS 61 HB2 HIS 61 -2.599 -6.237 -15.575 469 HB3 HIS 61 HB3 HIS 61 -4.341 -6.109 -15.549 470 HD1 HIS 61 HD1 HIS 61 -5.445 -4.292 -17.249 471 HD2 HIS 61 HD2 HIS 61 -1.270 -4.838 -17.396 472 HE1 HIS 61 HE1 HIS 61 -4.666 -3.367 -19.494 473 H SER 62 H SER 62 -1.562 -5.421 -12.506 474 HA SER 62 HA SER 62 0.581 -3.820 -13.632 475 HB2 SER 62 HB2 SER 62 -0.821 -2.344 -11.948 476 HB3 SER 62 HB3 SER 62 0.145 -3.192 -10.725 477 HG SER 62 HG SER 62 0.838 -1.138 -11.989 478 H MET 63 H MET 63 2.593 -3.916 -12.223 479 HA MET 63 HA MET 63 2.877 -6.547 -10.872 480 HB2 MET 63 HB2 MET 63 3.798 -6.710 -13.121 481 HB3 MET 63 HB3 MET 63 4.842 -5.310 -12.836 482 HG2 MET 63 HG2 MET 63 6.177 -6.464 -11.293 483 HG3 MET 63 HG3 MET 63 4.968 -7.726 -11.007 484 HE1 MET 63 HE1 MET 63 4.912 -9.959 -12.114 485 HE2 MET 63 HE2 MET 63 4.041 -9.097 -13.404 486 HE3 MET 63 HE3 MET 63 5.348 -10.231 -13.813 487 H VAL 64 H VAL 64 3.743 -6.443 -8.948 488 HA VAL 64 HA VAL 64 4.673 -3.798 -7.906 489 HB VAL 64 HB VAL 64 2.917 -5.899 -6.588 490 HG11 VAL 64 HG11 VAL 64 3.870 -3.194 -5.550 491 HG12 VAL 64 HG12 VAL 64 2.596 -4.174 -4.811 492 HG13 VAL 64 HG13 VAL 64 4.248 -4.794 -4.870 493 HG21 VAL 64 HG21 VAL 64 1.677 -4.638 -8.281 494 HG22 VAL 64 HG22 VAL 64 1.197 -4.082 -6.674 495 HG23 VAL 64 HG23 VAL 64 2.315 -3.105 -7.651 496 H ASP 65 H ASP 65 6.378 -3.630 -6.639 497 HA ASP 65 HA ASP 65 8.139 -5.972 -6.258 498 HB2 ASP 65 HB2 ASP 65 8.879 -3.931 -7.489 499 HB3 ASP 65 HB3 ASP 65 8.662 -2.981 -6.023 500 H GLU 66 H GLU 66 7.886 -6.993 -4.410 501 HA GLU 66 HA GLU 66 7.294 -5.534 -1.876 502 HB2 GLU 66 HB2 GLU 66 6.841 -8.472 -2.445 503 HB3 GLU 66 HB3 GLU 66 6.220 -7.498 -1.096 504 HG2 GLU 66 HG2 GLU 66 4.827 -6.231 -2.783 505 HG3 GLU 66 HG3 GLU 66 5.336 -7.409 -4.001 506 H SER 67 H SER 67 10.092 -6.000 -3.037 507 HA SER 67 HA SER 67 11.313 -8.250 -2.020 508 HB2 SER 67 HB2 SER 67 13.344 -7.323 -2.683 509 HB3 SER 67 HB3 SER 67 12.159 -6.616 -3.765 510 HG SER 67 HG SER 67 12.201 -4.710 -2.427 511 H LEU 68 H LEU 68 10.752 -5.367 -0.060 512 HA LEU 68 HA LEU 68 12.453 -6.469 2.118 513 HB2 LEU 68 HB2 LEU 68 12.719 -4.163 1.230 514 HB3 LEU 68 HB3 LEU 68 11.076 -3.796 1.703 515 HG LEU 68 HG LEU 68 12.906 -2.858 3.104 516 HD11 LEU 68 HD11 LEU 68 11.128 -4.589 4.831 517 HD12 LEU 68 HD12 LEU 68 11.819 -2.996 5.162 518 HD13 LEU 68 HD13 LEU 68 10.540 -3.162 3.953 519 HD21 LEU 68 HD21 LEU 68 14.411 -4.814 3.161 520 HD22 LEU 68 HD22 LEU 68 14.032 -4.199 4.779 521 HD23 LEU 68 HD23 LEU 68 13.244 -5.674 4.193 522 H ILE 69 H ILE 69 9.097 -5.867 1.242 523 HA ILE 69 HA ILE 69 8.029 -6.119 3.924 524 HB ILE 69 HB ILE 69 6.506 -6.383 1.303 525 HG12 ILE 69 HG12 ILE 69 7.783 -4.246 1.280 526 HG13 ILE 69 HG13 ILE 69 6.047 -4.070 1.246 527 HG21 ILE 69 HG21 ILE 69 5.702 -5.744 4.174 528 HG22 ILE 69 HG22 ILE 69 4.642 -5.475 2.789 529 HG23 ILE 69 HG23 ILE 69 5.182 -7.116 3.178 530 HD11 ILE 69 HD11 ILE 69 5.971 -3.430 3.561 531 HD12 ILE 69 HD12 ILE 69 7.722 -3.716 3.760 532 HD13 ILE 69 HD13 ILE 69 7.132 -2.405 2.709 533 H THR 70 H THR 70 7.473 -8.234 1.059 534 HA THR 70 HA THR 70 7.070 -10.579 2.848 535 HB THR 70 HB THR 70 6.065 -11.632 0.848 536 HG1 THR 70 HG1 THR 70 5.586 -9.826 -0.803 537 HG21 THR 70 HG21 THR 70 4.642 -10.269 2.418 538 HG22 THR 70 HG22 THR 70 4.853 -8.875 1.333 539 HG23 THR 70 HG23 THR 70 4.028 -10.339 0.760 540 H GLY 71 H GLY 71 9.523 -9.187 1.031 541 HA2 GLY 71 HA2 GLY 71 11.733 -9.961 1.010 542 HA3 GLY 71 HA3 GLY 71 11.190 -11.594 1.386 543 H GLU 72 H GLU 72 9.333 -10.464 -1.162 544 HA GLU 72 HA GLU 72 10.489 -12.389 -2.959 545 HB2 GLU 72 HB2 GLU 72 8.264 -10.349 -3.316 546 HB3 GLU 72 HB3 GLU 72 8.668 -11.596 -4.490 547 HG2 GLU 72 HG2 GLU 72 7.719 -12.083 -1.631 548 HG3 GLU 72 HG3 GLU 72 6.749 -12.242 -3.094 549 H ALA 73 H ALA 73 12.365 -12.069 -3.971 550 HA ALA 73 HA ALA 73 13.268 -9.453 -4.867 551 HB1 ALA 73 HB1 ALA 73 15.251 -10.702 -5.569 552 HB2 ALA 73 HB2 ALA 73 14.781 -11.180 -3.927 553 HB3 ALA 73 HB3 ALA 73 14.412 -12.247 -5.303 554 H MET 74 H MET 74 11.321 -11.925 -6.245 555 HA MET 74 HA MET 74 11.522 -10.683 -8.929 556 HB2 MET 74 HB2 MET 74 12.073 -13.140 -8.779 557 HB3 MET 74 HB3 MET 74 10.388 -13.426 -8.301 558 HG2 MET 74 HG2 MET 74 9.604 -12.433 -10.371 559 HG3 MET 74 HG3 MET 74 11.245 -11.937 -10.789 560 HE1 MET 74 HE1 MET 74 8.675 -14.835 -10.575 561 HE2 MET 74 HE2 MET 74 9.618 -16.266 -11.052 562 HE3 MET 74 HE3 MET 74 9.913 -15.498 -9.480 563 HA PRO 75 HA PRO 75 7.877 -8.832 -7.253 564 HB2 PRO 75 HB2 PRO 75 6.989 -7.341 -9.367 565 HB3 PRO 75 HB3 PRO 75 8.483 -6.980 -8.455 566 HG2 PRO 75 HG2 PRO 75 8.236 -8.550 -11.042 567 HG3 PRO 75 HG3 PRO 75 9.328 -7.166 -10.690 568 HD2 PRO 75 HD2 PRO 75 10.171 -9.734 -10.479 569 HD3 PRO 75 HD3 PRO 75 10.686 -8.507 -9.278 570 H VAL 76 H VAL 76 5.558 -8.497 -7.573 571 HA VAL 76 HA VAL 76 4.314 -11.075 -8.446 572 HB VAL 76 HB VAL 76 3.418 -9.175 -6.247 573 HG11 VAL 76 HG11 VAL 76 1.586 -10.589 -7.108 574 HG12 VAL 76 HG12 VAL 76 2.601 -12.037 -6.925 575 HG13 VAL 76 HG13 VAL 76 2.073 -11.130 -5.498 576 HG21 VAL 76 HG21 VAL 76 5.024 -11.756 -6.044 577 HG22 VAL 76 HG22 VAL 76 5.568 -10.131 -5.574 578 HG23 VAL 76 HG23 VAL 76 4.272 -10.913 -4.672 579 H ALA 77 H ALA 77 2.718 -11.066 -9.942 580 HA ALA 77 HA ALA 77 1.694 -8.564 -11.026 581 HB1 ALA 77 HB1 ALA 77 0.898 -11.451 -11.565 582 HB2 ALA 77 HB2 ALA 77 0.436 -10.033 -12.533 583 HB3 ALA 77 HB3 ALA 77 2.138 -10.526 -12.444 584 H LYS 78 H LYS 78 -0.186 -7.581 -10.677 585 HA LYS 78 HA LYS 78 -2.221 -8.771 -8.809 586 HB2 LYS 78 HB2 LYS 78 -1.562 -5.826 -9.070 587 HB3 LYS 78 HB3 LYS 78 -2.658 -6.565 -7.909 588 HG2 LYS 78 HG2 LYS 78 0.365 -6.921 -7.985 589 HG3 LYS 78 HG3 LYS 78 -0.510 -5.814 -6.943 590 HD2 LYS 78 HD2 LYS 78 -1.582 -7.666 -5.754 591 HD3 LYS 78 HD3 LYS 78 -0.766 -8.849 -6.798 592 HE2 LYS 78 HE2 LYS 78 1.425 -8.136 -6.007 593 HE3 LYS 78 HE3 LYS 78 0.724 -6.776 -5.123 594 HZ1 LYS 78 HZ1 LYS 78 0.213 -9.623 -4.447 595 HZ2 LYS 78 HZ2 LYS 78 1.248 -8.592 -3.637 596 HZ3 LYS 78 HZ3 LYS 78 -0.385 -8.347 -3.659 597 H LYS 79 H LYS 79 -4.393 -8.286 -9.187 598 HA LYS 79 HA LYS 79 -5.279 -7.322 -11.842 599 HB2 LYS 79 HB2 LYS 79 -6.279 -9.482 -12.374 600 HB3 LYS 79 HB3 LYS 79 -4.566 -9.699 -12.103 601 HG2 LYS 79 HG2 LYS 79 -5.016 -10.577 -9.831 602 HG3 LYS 79 HG3 LYS 79 -6.750 -10.351 -10.068 603 HD2 LYS 79 HD2 LYS 79 -4.993 -12.139 -11.806 604 HD3 LYS 79 HD3 LYS 79 -5.943 -12.698 -10.420 605 HE2 LYS 79 HE2 LYS 79 -8.024 -11.883 -11.514 606 HE3 LYS 79 HE3 LYS 79 -7.078 -11.382 -12.930 607 HZ1 LYS 79 HZ1 LYS 79 -6.451 -13.704 -13.257 608 HZ2 LYS 79 HZ2 LYS 79 -7.301 -14.148 -11.905 609 HZ3 LYS 79 HZ3 LYS 79 -8.092 -13.572 -13.208 610 HA PRO 80 HA PRO 80 -8.993 -6.370 -9.447 611 HB2 PRO 80 HB2 PRO 80 -11.148 -7.476 -10.817 612 HB3 PRO 80 HB3 PRO 80 -10.339 -5.942 -11.259 613 HG2 PRO 80 HG2 PRO 80 -9.779 -8.720 -12.368 614 HG3 PRO 80 HG3 PRO 80 -10.076 -7.202 -13.281 615 HD2 PRO 80 HD2 PRO 80 -7.562 -7.968 -12.886 616 HD3 PRO 80 HD3 PRO 80 -8.002 -6.273 -12.566 617 H GLY 81 H GLY 81 -9.587 -7.255 -7.596 618 HA2 GLY 81 HA2 GLY 81 -10.262 -8.833 -6.021 619 HA3 GLY 81 HA3 GLY 81 -10.235 -10.110 -7.241 620 H SER 82 H SER 82 -7.511 -7.858 -6.430 621 HA SER 82 HA SER 82 -5.924 -10.229 -5.470 622 HB2 SER 82 HB2 SER 82 -5.267 -9.425 -7.718 623 HB3 SER 82 HB3 SER 82 -4.950 -7.824 -7.036 624 HG SER 82 HG SER 82 -3.675 -10.203 -6.109 625 H THR 83 H THR 83 -4.216 -9.765 -3.806 626 HA THR 83 HA THR 83 -5.090 -7.566 -2.011 627 HB THR 83 HB THR 83 -4.036 -9.027 -0.254 628 HG1 THR 83 HG1 THR 83 -2.767 -10.385 -1.503 629 HG21 THR 83 HG21 THR 83 -5.925 -10.623 -0.185 630 HG22 THR 83 HG22 THR 83 -6.491 -9.005 -0.619 631 HG23 THR 83 HG23 THR 83 -6.331 -10.251 -1.872 632 H VAL 84 H VAL 84 -3.650 -6.202 -1.026 633 HA VAL 84 HA VAL 84 -0.800 -6.285 -1.915 634 HB VAL 84 HB VAL 84 -0.928 -3.849 -2.398 635 HG11 VAL 84 HG11 VAL 84 -2.783 -5.533 -4.132 636 HG12 VAL 84 HG12 VAL 84 -1.893 -4.076 -4.614 637 HG13 VAL 84 HG13 VAL 84 -1.007 -5.542 -4.193 638 HG21 VAL 84 HG21 VAL 84 -3.004 -3.285 -1.144 639 HG22 VAL 84 HG22 VAL 84 -3.077 -2.770 -2.832 640 HG23 VAL 84 HG23 VAL 84 -3.957 -4.218 -2.319 641 H ILE 85 H ILE 85 0.698 -5.026 -0.773 642 HA ILE 85 HA ILE 85 -0.148 -4.253 1.980 643 HB ILE 85 HB ILE 85 2.388 -4.798 2.536 644 HG12 ILE 85 HG12 ILE 85 3.065 -6.993 1.638 645 HG13 ILE 85 HG13 ILE 85 1.760 -6.958 0.456 646 HG21 ILE 85 HG21 ILE 85 1.647 -6.842 3.546 647 HG22 ILE 85 HG22 ILE 85 0.416 -5.591 3.700 648 HG23 ILE 85 HG23 ILE 85 0.196 -6.888 2.501 649 HD11 ILE 85 HD11 ILE 85 4.016 -6.280 -0.430 650 HD12 ILE 85 HD12 ILE 85 2.760 -5.047 -0.658 651 HD13 ILE 85 HD13 ILE 85 3.960 -4.855 0.628 652 H ALA 86 H ALA 86 0.695 -2.605 3.025 653 HA ALA 86 HA ALA 86 1.386 -0.248 1.669 654 HB1 ALA 86 HB1 ALA 86 0.420 -0.473 3.990 655 HB2 ALA 86 HB2 ALA 86 1.981 -1.043 4.554 656 HB3 ALA 86 HB3 ALA 86 1.817 0.612 3.920 657 H GLY 87 H GLY 87 3.279 0.783 1.227 658 HA2 GLY 87 HA2 GLY 87 5.533 1.298 1.212 659 HA3 GLY 87 HA3 GLY 87 5.880 -0.077 2.269 660 H SER 88 H SER 88 4.145 -1.368 -0.282 661 HA SER 88 HA SER 88 6.552 -2.272 -1.726 662 HB2 SER 88 HB2 SER 88 5.012 -3.574 -3.087 663 HB3 SER 88 HB3 SER 88 4.843 -3.911 -1.371 664 HG SER 88 HG SER 88 2.888 -2.794 -1.351 665 H ILE 89 H ILE 89 6.764 -2.022 -4.039 666 HA ILE 89 HA ILE 89 5.948 0.727 -4.895 667 HB ILE 89 HB ILE 89 8.199 -0.474 -6.351 668 HG12 ILE 89 HG12 ILE 89 8.821 -1.417 -4.164 669 HG13 ILE 89 HG13 ILE 89 9.956 -0.260 -4.824 670 HG21 ILE 89 HG21 ILE 89 7.479 1.842 -6.646 671 HG22 ILE 89 HG22 ILE 89 7.808 2.200 -4.938 672 HG23 ILE 89 HG23 ILE 89 9.138 1.779 -6.031 673 HD11 ILE 89 HD11 ILE 89 9.300 1.448 -3.247 674 HD12 ILE 89 HD12 ILE 89 7.941 0.464 -2.663 675 HD13 ILE 89 HD13 ILE 89 9.611 -0.053 -2.362 676 H ASN 90 H ASN 90 5.097 1.133 -6.906 677 HA ASN 90 HA ASN 90 4.147 -1.124 -8.548 678 HB2 ASN 90 HB2 ASN 90 2.779 0.874 -7.962 679 HB3 ASN 90 HB3 ASN 90 3.903 1.907 -8.827 680 HD21 ASN 90 HD22 ASN 90 0.961 1.247 -9.186 681 HD22 ASN 90 HD21 ASN 90 0.871 0.852 -10.901 682 H GLN 91 H GLN 91 5.004 -1.804 -10.532 683 HA GLN 91 HA GLN 91 6.605 0.108 -12.031 684 HB2 GLN 91 HB2 GLN 91 8.227 -1.308 -10.552 685 HB3 GLN 91 HB3 GLN 91 7.868 -2.619 -11.669 686 HG2 GLN 91 HG2 GLN 91 9.717 -1.615 -12.715 687 HG3 GLN 91 HG3 GLN 91 8.374 -0.793 -13.532 688 HE21 GLN 91 HE22 GLN 91 8.043 1.471 -13.131 689 HE22 GLN 91 HE21 GLN 91 9.184 2.417 -12.183 690 H ASN 92 H ASN 92 4.286 -0.281 -12.903 691 HA ASN 92 HA ASN 92 4.829 -1.266 -15.521 692 HB2 ASN 92 HB2 ASN 92 4.237 -3.482 -14.628 693 HB3 ASN 92 HB3 ASN 92 2.688 -2.861 -14.063 694 HD21 ASN 92 HD22 ASN 92 0.950 -3.059 -15.546 695 HD22 ASN 92 HD21 ASN 92 1.233 -3.253 -17.268 696 H GLY 93 H GLY 93 1.946 -0.671 -13.512 697 HA2 GLY 93 HA2 GLY 93 0.914 1.475 -15.258 698 HA3 GLY 93 HA3 GLY 93 0.086 -0.062 -15.437 699 H SER 94 H SER 94 -1.457 2.029 -14.648 700 HA SER 94 HA SER 94 -1.422 2.280 -11.732 701 HB2 SER 94 HB2 SER 94 -3.140 3.993 -12.040 702 HB3 SER 94 HB3 SER 94 -1.713 4.274 -13.048 703 HG SER 94 HG SER 94 -3.258 4.523 -14.493 704 H LEU 95 H LEU 95 -2.983 1.737 -10.268 705 HA LEU 95 HA LEU 95 -5.253 -0.056 -11.081 706 HB2 LEU 95 HB2 LEU 95 -3.152 -0.312 -8.919 707 HB3 LEU 95 HB3 LEU 95 -4.612 -1.261 -8.880 708 HG LEU 95 HG LEU 95 -2.461 -1.356 -11.033 709 HD11 LEU 95 HD11 LEU 95 -1.941 -3.578 -9.922 710 HD12 LEU 95 HD12 LEU 95 -1.556 -2.153 -8.934 711 HD13 LEU 95 HD13 LEU 95 -3.014 -3.105 -8.600 712 HD21 LEU 95 HD21 LEU 95 -4.882 -3.124 -10.500 713 HD22 LEU 95 HD22 LEU 95 -4.574 -2.110 -11.919 714 HD23 LEU 95 HD23 LEU 95 -3.561 -3.534 -11.603 715 H LEU 96 H LEU 96 -6.901 -0.293 -9.493 716 HA LEU 96 HA LEU 96 -7.325 2.086 -7.714 717 HB2 LEU 96 HB2 LEU 96 -9.226 0.229 -9.167 718 HB3 LEU 96 HB3 LEU 96 -9.740 1.240 -7.836 719 HG LEU 96 HG LEU 96 -9.116 3.273 -9.063 720 HD11 LEU 96 HD11 LEU 96 -8.415 1.351 -11.318 721 HD12 LEU 96 HD12 LEU 96 -8.817 3.048 -11.598 722 HD13 LEU 96 HD13 LEU 96 -7.406 2.629 -10.619 723 HD21 LEU 96 HD21 LEU 96 -10.967 1.450 -10.634 724 HD22 LEU 96 HD22 LEU 96 -11.407 2.381 -9.184 725 HD23 LEU 96 HD23 LEU 96 -10.934 3.223 -10.662 726 H ILE 97 H ILE 97 -6.952 1.699 -5.637 727 HA ILE 97 HA ILE 97 -7.285 -1.033 -4.495 728 HB ILE 97 HB ILE 97 -5.892 1.431 -3.404 729 HG12 ILE 97 HG12 ILE 97 -4.379 -1.001 -4.375 730 HG13 ILE 97 HG13 ILE 97 -4.854 0.226 -5.543 731 HG21 ILE 97 HG21 ILE 97 -5.825 -1.472 -2.455 732 HG22 ILE 97 HG22 ILE 97 -4.839 -0.156 -1.789 733 HG23 ILE 97 HG23 ILE 97 -6.590 -0.113 -1.608 734 HD11 ILE 97 HD11 ILE 97 -3.149 0.739 -3.086 735 HD12 ILE 97 HD12 ILE 97 -2.638 0.711 -4.787 736 HD13 ILE 97 HD13 ILE 97 -3.731 1.980 -4.224 737 H CYS 98 H CYS 98 -9.138 -1.427 -3.282 738 HA CYS 98 HA CYS 98 -10.682 0.851 -2.175 739 HB2 CYS 98 HB2 CYS 98 -12.262 -0.882 -1.413 740 HB3 CYS 98 HB3 CYS 98 -12.007 -0.889 -3.162 741 HG CYS 98 HG CYS 98 -10.288 -2.716 -1.037 742 H ALA 99 H ALA 99 -10.088 1.772 -0.289 743 HA ALA 99 HA ALA 99 -8.102 0.467 1.345 744 HB1 ALA 99 HB1 ALA 99 -9.464 3.175 1.571 745 HB2 ALA 99 HB2 ALA 99 -8.050 2.636 2.506 746 HB3 ALA 99 HB3 ALA 99 -7.927 2.813 0.746 747 H THR 100 H THR 100 -8.454 -0.843 2.945 748 HA THR 100 HA THR 100 -10.946 -0.719 4.603 749 HB THR 100 HB THR 100 -10.295 -3.117 5.102 750 HG1 THR 100 HG1 THR 100 -8.706 -3.990 3.703 751 HG21 THR 100 HG21 THR 100 -11.894 -2.680 3.262 752 HG22 THR 100 HG22 THR 100 -10.543 -2.496 2.119 753 HG23 THR 100 HG23 THR 100 -10.838 -4.058 2.901 754 H HIS 101 H HIS 101 -7.608 -0.004 4.845 755 HA HIS 101 HA HIS 101 -7.705 -0.084 7.816 756 HB2 HIS 101 HB2 HIS 101 -5.511 -1.044 5.922 757 HB3 HIS 101 HB3 HIS 101 -5.269 -0.762 7.641 758 HD1 HIS 101 HD1 HIS 101 -7.242 -3.191 5.347 759 HD2 HIS 101 HD2 HIS 101 -5.957 -2.627 9.308 760 HE1 HIS 101 HE1 HIS 101 -7.797 -5.347 6.595 761 H VAL 102 H VAL 102 -6.703 1.562 8.839 762 HA VAL 102 HA VAL 102 -5.286 3.686 7.274 763 HB VAL 102 HB VAL 102 -5.517 5.044 9.375 764 HG11 VAL 102 HG11 VAL 102 -8.112 4.166 8.034 765 HG12 VAL 102 HG12 VAL 102 -7.779 5.723 8.830 766 HG13 VAL 102 HG13 VAL 102 -6.932 5.299 7.338 767 HG21 VAL 102 HG21 VAL 102 -6.052 3.178 10.961 768 HG22 VAL 102 HG22 VAL 102 -7.260 4.471 10.963 769 HG23 VAL 102 HG23 VAL 102 -7.614 2.956 10.133 770 H GLY 103 H GLY 103 -3.275 4.707 8.538 771 HA2 GLY 103 HA2 GLY 103 -1.352 2.746 8.070 772 HA3 GLY 103 HA3 GLY 103 -1.097 4.271 8.857 773 H ALA 104 H ALA 104 -2.581 3.874 11.267 774 HA ALA 104 HA ALA 104 -0.718 2.282 12.797 775 HB1 ALA 104 HB1 ALA 104 -3.388 3.547 13.531 776 HB2 ALA 104 HB2 ALA 104 -2.195 2.922 14.683 777 HB3 ALA 104 HB3 ALA 104 -1.784 4.301 13.663 778 H ASP 105 H ASP 105 -3.987 1.573 11.554 779 HA ASP 105 HA ASP 105 -4.166 -0.994 12.923 780 HB2 ASP 105 HB2 ASP 105 -6.146 0.454 12.392 781 HB3 ASP 105 HB3 ASP 105 -5.899 0.069 10.683 782 H THR 106 H THR 106 -2.386 -0.010 10.206 783 HA THR 106 HA THR 106 -2.828 -2.128 8.386 784 HB THR 106 HB THR 106 -0.536 -1.752 7.516 785 HG1 THR 106 HG1 THR 106 -0.228 0.281 9.398 786 HG21 THR 106 HG21 THR 106 -2.228 -0.376 6.597 787 HG22 THR 106 HG22 THR 106 -2.153 0.736 7.962 788 HG23 THR 106 HG23 THR 106 -0.767 0.604 6.852 789 H THR 107 H THR 107 -1.746 -3.955 7.852 790 HA THR 107 HA THR 107 -0.870 -5.794 9.870 791 HB THR 107 HB THR 107 -1.759 -6.186 7.500 792 HG1 THR 107 HG1 THR 107 -1.289 -7.955 8.354 793 HG21 THR 107 HG21 THR 107 -0.038 -4.824 6.279 794 HG22 THR 107 HG22 THR 107 1.145 -6.108 6.657 795 HG23 THR 107 HG23 THR 107 -0.302 -6.465 5.691 796 H LEU 108 H LEU 108 0.908 -3.549 7.776 797 HA LEU 108 HA LEU 108 3.563 -4.288 8.383 798 HB2 LEU 108 HB2 LEU 108 2.518 -2.737 6.538 799 HB3 LEU 108 HB3 LEU 108 2.567 -1.478 7.760 800 HG LEU 108 HG LEU 108 5.125 -2.096 7.963 801 HD11 LEU 108 HD11 LEU 108 4.410 -3.259 5.224 802 HD12 LEU 108 HD12 LEU 108 6.055 -2.921 5.812 803 HD13 LEU 108 HD13 LEU 108 5.067 -4.163 6.610 804 HD21 LEU 108 HD21 LEU 108 5.649 -0.600 6.069 805 HD22 LEU 108 HD22 LEU 108 4.004 -0.773 5.461 806 HD23 LEU 108 HD23 LEU 108 4.296 0.005 7.041 807 H SER 109 H SER 109 1.427 -1.871 9.960 808 HA SER 109 HA SER 109 3.373 -0.985 11.896 809 HB2 SER 109 HB2 SER 109 1.425 0.357 11.272 810 HB3 SER 109 HB3 SER 109 0.332 -0.861 11.955 811 HG SER 109 HG SER 109 2.389 0.432 13.443 812 H GLN 110 H GLN 110 1.066 -3.704 11.850 813 HA GLN 110 HA GLN 110 1.324 -4.246 14.695 814 HB2 GLN 110 HB2 GLN 110 -0.654 -4.869 13.221 815 HB3 GLN 110 HB3 GLN 110 0.337 -6.081 12.474 816 HG2 GLN 110 HG2 GLN 110 -0.958 -7.187 14.105 817 HG3 GLN 110 HG3 GLN 110 0.691 -7.154 14.735 818 HE21 GLN 110 HE22 GLN 110 -2.338 -5.151 14.766 819 HE22 GLN 110 HE21 GLN 110 -2.084 -4.606 16.406 820 H ILE 111 H ILE 111 2.824 -5.611 11.720 821 HA ILE 111 HA ILE 111 4.272 -7.710 12.879 822 HB ILE 111 HB ILE 111 4.872 -5.939 10.494 823 HG12 ILE 111 HG12 ILE 111 4.060 -8.881 10.584 824 HG13 ILE 111 HG13 ILE 111 2.863 -7.602 10.624 825 HG21 ILE 111 HG21 ILE 111 6.392 -8.447 11.360 826 HG22 ILE 111 HG22 ILE 111 6.532 -7.684 9.766 827 HG23 ILE 111 HG23 ILE 111 7.063 -6.811 11.192 828 HD11 ILE 111 HD11 ILE 111 3.075 -8.371 8.355 829 HD12 ILE 111 HD12 ILE 111 3.717 -6.719 8.449 830 HD13 ILE 111 HD13 ILE 111 4.826 -8.110 8.355 831 H VAL 112 H VAL 112 5.615 -4.338 12.441 832 HA VAL 112 HA VAL 112 7.972 -4.965 13.906 833 HB VAL 112 HB VAL 112 8.367 -2.571 14.088 834 HG11 VAL 112 HG11 VAL 112 7.292 -3.315 11.338 835 HG12 VAL 112 HG12 VAL 112 8.505 -2.078 11.727 836 HG13 VAL 112 HG13 VAL 112 8.881 -3.784 11.991 837 HG21 VAL 112 HG21 VAL 112 6.104 -1.704 14.503 838 HG22 VAL 112 HG22 VAL 112 6.830 -0.927 13.099 839 HG23 VAL 112 HG23 VAL 112 5.599 -2.184 12.860 840 H LYS 113 H LYS 113 4.816 -4.179 15.126 841 HA LYS 113 HA LYS 113 5.737 -3.453 17.851 842 HB2 LYS 113 HB2 LYS 113 2.972 -3.828 16.640 843 HB3 LYS 113 HB3 LYS 113 3.258 -3.434 18.342 844 HG2 LYS 113 HG2 LYS 113 4.290 -1.311 17.785 845 HG3 LYS 113 HG3 LYS 113 4.343 -1.714 16.081 846 HD2 LYS 113 HD2 LYS 113 2.554 -0.301 16.114 847 HD3 LYS 113 HD3 LYS 113 1.765 -1.878 16.171 848 HE2 LYS 113 HE2 LYS 113 1.646 -1.651 18.673 849 HE3 LYS 113 HE3 LYS 113 2.374 -0.042 18.519 850 HZ1 LYS 113 HZ1 LYS 113 -0.064 0.160 18.556 851 HZ2 LYS 113 HZ2 LYS 113 0.491 0.563 17.074 852 HZ3 LYS 113 HZ3 LYS 113 -0.190 -0.894 17.273 853 H LEU 114 H LEU 114 4.601 -6.323 16.115 854 HA LEU 114 HA LEU 114 4.477 -8.030 18.430 855 HB2 LEU 114 HB2 LEU 114 4.696 -8.430 15.441 856 HB3 LEU 114 HB3 LEU 114 4.772 -9.784 16.553 857 HG LEU 114 HG LEU 114 2.481 -7.824 16.302 858 HD11 LEU 114 HD11 LEU 114 2.752 -10.668 15.245 859 HD12 LEU 114 HD12 LEU 114 1.288 -9.663 15.161 860 HD13 LEU 114 HD13 LEU 114 2.737 -9.182 14.270 861 HD21 LEU 114 HD21 LEU 114 2.498 -8.884 18.530 862 HD22 LEU 114 HD22 LEU 114 1.183 -9.537 17.558 863 HD23 LEU 114 HD23 LEU 114 2.669 -10.487 17.776 864 H VAL 115 H VAL 115 6.992 -7.489 15.953 865 HA VAL 115 HA VAL 115 8.909 -9.283 17.115 866 HB VAL 115 HB VAL 115 9.363 -6.933 15.245 867 HG11 VAL 115 HG11 VAL 115 11.262 -9.188 16.056 868 HG12 VAL 115 HG12 VAL 115 11.520 -8.080 14.691 869 HG13 VAL 115 HG13 VAL 115 11.506 -7.446 16.335 870 HG21 VAL 115 HG21 VAL 115 9.231 -9.948 14.746 871 HG22 VAL 115 HG22 VAL 115 7.957 -8.790 14.326 872 HG23 VAL 115 HG23 VAL 115 9.523 -8.693 13.525 873 H GLU 116 H GLU 116 8.986 -5.675 17.325 874 HA GLU 116 HA GLU 116 10.998 -5.311 19.048 875 HB2 GLU 116 HB2 GLU 116 9.474 -3.600 17.976 876 HB3 GLU 116 HB3 GLU 116 8.328 -3.864 19.292 877 HG2 GLU 116 HG2 GLU 116 10.235 -3.162 20.877 878 HG3 GLU 116 HG3 GLU 116 11.131 -2.683 19.428 879 H GLU 117 H GLU 117 7.841 -6.504 20.152 880 HA GLU 117 HA GLU 117 8.528 -6.268 23.035 881 HB2 GLU 117 HB2 GLU 117 6.050 -7.182 21.557 882 HB3 GLU 117 HB3 GLU 117 6.234 -7.309 23.299 883 HG2 GLU 117 HG2 GLU 117 6.822 -4.569 22.348 884 HG3 GLU 117 HG3 GLU 117 5.231 -5.113 21.844 885 H ALA 118 H ALA 118 8.512 -8.661 20.414 886 HA ALA 118 HA ALA 118 8.139 -10.973 22.081 887 HB1 ALA 118 HB1 ALA 118 7.462 -10.946 19.742 888 HB2 ALA 118 HB2 ALA 118 9.137 -10.614 19.224 889 HB3 ALA 118 HB3 ALA 118 8.713 -12.174 19.958 890 H GLN 119 H GLN 119 11.066 -9.194 21.236 891 HA GLN 119 HA GLN 119 12.977 -11.312 21.787 892 HB2 GLN 119 HB2 GLN 119 13.150 -8.286 21.564 893 HB3 GLN 119 HB3 GLN 119 14.537 -9.367 21.750 894 HG2 GLN 119 HG2 GLN 119 13.258 -8.410 19.377 895 HG3 GLN 119 HG3 GLN 119 14.786 -9.278 19.548 896 HE21 GLN 119 HE22 GLN 119 11.421 -9.448 18.773 897 HE22 GLN 119 HE21 GLN 119 11.305 -11.166 18.878 Start of MODEL 11 1 H SER 1 H SER 1 18.132 -5.538 13.541 2 HA SER 1 HA SER 1 16.277 -3.505 14.652 3 HB2 SER 1 HB2 SER 1 19.307 -3.697 14.750 4 HB3 SER 1 HB3 SER 1 18.340 -2.387 15.453 5 HG SER 1 HG SER 1 18.688 -4.985 16.285 6 H GLU 2 H GLU 2 18.174 -3.950 11.737 7 HA GLU 2 HA GLU 2 17.970 -1.102 10.941 8 HB2 GLU 2 HB2 GLU 2 19.874 -2.528 10.239 9 HB3 GLU 2 HB3 GLU 2 18.763 -3.576 9.355 10 HG2 GLU 2 HG2 GLU 2 18.120 -1.691 7.889 11 HG3 GLU 2 HG3 GLU 2 19.201 -0.618 8.787 12 H ALA 3 H ALA 3 16.397 -4.244 10.159 13 HA ALA 3 HA ALA 3 14.351 -3.247 8.465 14 HB1 ALA 3 HB1 ALA 3 14.279 -5.570 10.445 15 HB2 ALA 3 HB2 ALA 3 13.151 -5.312 9.095 16 HB3 ALA 3 HB3 ALA 3 14.864 -5.637 8.768 17 H LEU 4 H LEU 4 14.264 -3.658 12.020 18 HA LEU 4 HA LEU 4 11.829 -2.539 12.580 19 HB2 LEU 4 HB2 LEU 4 13.395 -3.587 14.168 20 HB3 LEU 4 HB3 LEU 4 14.325 -2.096 14.265 21 HG LEU 4 HG LEU 4 11.361 -1.950 14.817 22 HD11 LEU 4 HD11 LEU 4 13.347 -3.108 16.806 23 HD12 LEU 4 HD12 LEU 4 11.650 -2.681 17.133 24 HD13 LEU 4 HD13 LEU 4 12.031 -3.981 15.993 25 HD21 LEU 4 HD21 LEU 4 12.036 -0.354 16.548 26 HD22 LEU 4 HD22 LEU 4 13.749 -0.728 16.273 27 HD23 LEU 4 HD23 LEU 4 12.804 0.097 15.021 28 H ALA 5 H ALA 5 14.631 -0.634 11.555 29 HA ALA 5 HA ALA 5 13.240 1.919 12.080 30 HB1 ALA 5 HB1 ALA 5 15.894 1.319 10.685 31 HB2 ALA 5 HB2 ALA 5 15.236 2.932 11.025 32 HB3 ALA 5 HB3 ALA 5 15.691 1.866 12.363 33 H LYS 6 H LYS 6 14.161 -0.180 9.295 34 HA LYS 6 HA LYS 6 13.200 1.585 7.294 35 HB2 LYS 6 HB2 LYS 6 14.815 -0.301 6.975 36 HB3 LYS 6 HB3 LYS 6 13.464 -1.444 7.058 37 HG2 LYS 6 HG2 LYS 6 12.446 -0.481 5.068 38 HG3 LYS 6 HG3 LYS 6 13.570 0.892 5.105 39 HD2 LYS 6 HD2 LYS 6 15.435 -0.876 4.710 40 HD3 LYS 6 HD3 LYS 6 14.108 -1.982 4.292 41 HE2 LYS 6 HE2 LYS 6 13.282 -0.230 2.640 42 HE3 LYS 6 HE3 LYS 6 14.705 0.742 3.039 43 HZ1 LYS 6 HZ1 LYS 6 15.237 -0.448 1.098 44 HZ2 LYS 6 HZ2 LYS 6 16.026 -1.296 2.286 45 HZ3 LYS 6 HZ3 LYS 6 14.629 -1.852 1.629 46 H LEU 7 H LEU 7 11.375 -0.936 9.056 47 HA LEU 7 HA LEU 7 9.016 -0.836 7.470 48 HB2 LEU 7 HB2 LEU 7 9.663 -1.588 10.298 49 HB3 LEU 7 HB3 LEU 7 7.981 -1.256 9.925 50 HG LEU 7 HG LEU 7 8.264 -3.575 9.809 51 HD11 LEU 7 HD11 LEU 7 7.393 -4.115 7.690 52 HD12 LEU 7 HD12 LEU 7 6.923 -2.423 7.974 53 HD13 LEU 7 HD13 LEU 7 8.264 -2.805 6.880 54 HD21 LEU 7 HD21 LEU 7 10.636 -3.830 9.468 55 HD22 LEU 7 HD22 LEU 7 9.759 -4.724 8.215 56 HD23 LEU 7 HD23 LEU 7 10.518 -3.163 7.821 57 H ILE 8 H ILE 8 9.994 1.439 10.045 58 HA ILE 8 HA ILE 8 7.557 2.981 9.925 59 HB ILE 8 HB ILE 8 10.357 3.805 10.751 60 HG12 ILE 8 HG12 ILE 8 9.426 1.993 12.141 61 HG13 ILE 8 HG13 ILE 8 9.656 3.493 13.025 62 HG21 ILE 8 HG21 ILE 8 7.717 5.279 11.030 63 HG22 ILE 8 HG22 ILE 8 9.143 5.638 12.013 64 HG23 ILE 8 HG23 ILE 8 9.215 5.845 10.262 65 HD11 ILE 8 HD11 ILE 8 7.583 2.469 13.721 66 HD12 ILE 8 HD12 ILE 8 7.189 3.947 12.851 67 HD13 ILE 8 HD13 ILE 8 6.995 2.370 12.049 68 H SER 9 H SER 9 10.537 3.074 7.960 69 HA SER 9 HA SER 9 9.820 5.527 6.535 70 HB2 SER 9 HB2 SER 9 11.875 3.354 5.965 71 HB3 SER 9 HB3 SER 9 11.729 4.869 5.074 72 HG SER 9 HG SER 9 12.313 6.019 6.849 73 H LEU 10 H LEU 10 8.978 2.138 6.217 74 HA LEU 10 HA LEU 10 8.211 2.241 3.399 75 HB2 LEU 10 HB2 LEU 10 7.951 0.254 5.668 76 HB3 LEU 10 HB3 LEU 10 7.062 0.012 4.177 77 HG LEU 10 HG LEU 10 10.061 0.490 4.068 78 HD11 LEU 10 HD11 LEU 10 8.658 -2.174 4.524 79 HD12 LEU 10 HD12 LEU 10 10.350 -1.975 4.013 80 HD13 LEU 10 HD13 LEU 10 9.850 -1.386 5.594 81 HD21 LEU 10 HD21 LEU 10 8.105 -1.088 2.325 82 HD22 LEU 10 HD22 LEU 10 8.765 0.519 1.966 83 HD23 LEU 10 HD23 LEU 10 9.845 -0.867 2.016 84 H GLN 11 H GLN 11 6.614 3.126 6.447 85 HA GLN 11 HA GLN 11 3.908 2.974 5.393 86 HB2 GLN 11 HB2 GLN 11 5.093 4.453 7.790 87 HB3 GLN 11 HB3 GLN 11 3.397 4.477 7.343 88 HG2 GLN 11 HG2 GLN 11 3.253 2.044 7.621 89 HG3 GLN 11 HG3 GLN 11 4.965 1.936 8.024 90 HE21 GLN 11 HE22 GLN 11 1.782 3.016 9.103 91 HE22 GLN 11 HE21 GLN 11 2.250 3.202 10.793 92 H ALA 12 H ALA 12 3.403 4.061 3.630 93 HA ALA 12 HA ALA 12 4.728 6.312 2.587 94 HB1 ALA 12 HB1 ALA 12 1.932 5.323 1.972 95 HB2 ALA 12 HB2 ALA 12 2.972 6.285 0.900 96 HB3 ALA 12 HB3 ALA 12 3.431 4.617 1.305 97 H THR 13 H THR 13 3.973 8.433 2.119 98 HA THR 13 HA THR 13 2.864 9.726 4.522 99 HB THR 13 HB THR 13 4.312 10.808 2.084 100 HG1 THR 13 HG1 THR 13 5.391 10.475 4.670 101 HG21 THR 13 HG21 THR 13 3.874 12.171 4.762 102 HG22 THR 13 HG22 THR 13 4.910 12.741 3.429 103 HG23 THR 13 HG23 THR 13 3.166 12.661 3.207 104 H GLU 14 H GLU 14 1.933 9.412 1.097 105 HA GLU 14 HA GLU 14 -0.413 11.184 1.572 106 HB2 GLU 14 HB2 GLU 14 0.087 12.420 -0.459 107 HB3 GLU 14 HB3 GLU 14 1.407 12.538 0.692 108 HG2 GLU 14 HG2 GLU 14 2.092 10.315 -0.935 109 HG3 GLU 14 HG3 GLU 14 1.371 11.462 -2.046 110 H ALA 15 H ALA 15 -2.073 11.085 -0.103 111 HA ALA 15 HA ALA 15 -2.117 8.694 -1.828 112 HB1 ALA 15 HB1 ALA 15 -4.202 9.222 0.337 113 HB2 ALA 15 HB2 ALA 15 -4.282 7.948 -0.896 114 HB3 ALA 15 HB3 ALA 15 -3.008 7.904 0.334 115 H THR 16 H THR 16 -3.788 8.737 -3.373 116 HA THR 16 HA THR 16 -5.146 11.377 -3.885 117 HB THR 16 HB THR 16 -4.294 9.292 -5.913 118 HG1 THR 16 HG1 THR 16 -2.787 10.828 -6.483 119 HG21 THR 16 HG21 THR 16 -6.213 10.529 -6.746 120 HG22 THR 16 HG22 THR 16 -5.503 12.077 -6.224 121 HG23 THR 16 HG23 THR 16 -4.767 11.144 -7.546 122 H ILE 17 H ILE 17 -7.230 11.199 -3.068 123 HA ILE 17 HA ILE 17 -8.579 8.551 -3.068 124 HB ILE 17 HB ILE 17 -9.481 11.183 -1.830 125 HG12 ILE 17 HG12 ILE 17 -8.059 8.817 -0.555 126 HG13 ILE 17 HG13 ILE 17 -7.401 10.429 -0.777 127 HG21 ILE 17 HG21 ILE 17 -10.511 8.327 -1.479 128 HG22 ILE 17 HG22 ILE 17 -11.099 9.750 -0.590 129 HG23 ILE 17 HG23 ILE 17 -11.363 9.648 -2.306 130 HD11 ILE 17 HD11 ILE 17 -9.696 9.677 1.075 131 HD12 ILE 17 HD12 ILE 17 -8.062 10.101 1.534 132 HD13 ILE 17 HD13 ILE 17 -9.100 11.334 0.789 133 H VAL 18 H VAL 18 -10.390 8.028 -4.354 134 HA VAL 18 HA VAL 18 -11.100 10.038 -6.439 135 HB VAL 18 HB VAL 18 -11.398 7.029 -6.530 136 HG11 VAL 18 HG11 VAL 18 -11.489 9.159 -8.712 137 HG12 VAL 18 HG12 VAL 18 -11.601 7.404 -8.964 138 HG13 VAL 18 HG13 VAL 18 -12.876 8.243 -8.085 139 HG21 VAL 18 HG21 VAL 18 -9.029 7.427 -6.395 140 HG22 VAL 18 HG22 VAL 18 -9.458 6.997 -8.051 141 HG23 VAL 18 HG23 VAL 18 -9.124 8.695 -7.629 142 H THR 19 H THR 19 -13.082 10.820 -6.456 143 HA THR 19 HA THR 19 -15.325 9.400 -5.054 144 HB THR 19 HB THR 19 -14.810 12.379 -5.249 145 HG1 THR 19 HG1 THR 19 -14.727 12.087 -2.948 146 HG21 THR 19 HG21 THR 19 -16.741 12.557 -3.675 147 HG22 THR 19 HG22 THR 19 -17.225 12.010 -5.268 148 HG23 THR 19 HG23 THR 19 -17.085 10.827 -3.941 149 H LEU 20 H LEU 20 -17.353 9.343 -6.010 150 HA LEU 20 HA LEU 20 -17.513 9.817 -8.886 151 HB2 LEU 20 HB2 LEU 20 -19.695 8.938 -6.943 152 HB3 LEU 20 HB3 LEU 20 -19.778 8.942 -8.687 153 HG LEU 20 HG LEU 20 -17.931 7.205 -6.994 154 HD11 LEU 20 HD11 LEU 20 -20.392 6.549 -8.654 155 HD12 LEU 20 HD12 LEU 20 -19.345 5.365 -7.843 156 HD13 LEU 20 HD13 LEU 20 -20.277 6.533 -6.886 157 HD21 LEU 20 HD21 LEU 20 -16.779 7.637 -9.055 158 HD22 LEU 20 HD22 LEU 20 -17.491 6.028 -9.185 159 HD23 LEU 20 HD23 LEU 20 -18.257 7.412 -10.010 160 H ASP 21 H ASP 21 -17.823 11.774 -9.682 161 HA ASP 21 HA ASP 21 -18.963 13.886 -7.929 162 HB2 ASP 21 HB2 ASP 21 -16.644 13.974 -9.118 163 HB3 ASP 21 HB3 ASP 21 -17.559 14.435 -10.534 164 H SER 22 H SER 22 -20.232 12.017 -10.273 165 HA SER 22 HA SER 22 -22.566 13.827 -10.586 166 HB2 SER 22 HB2 SER 22 -21.317 12.386 -12.940 167 HB3 SER 22 HB3 SER 22 -23.012 12.834 -12.899 168 HG SER 22 HG SER 22 -21.736 14.392 -13.924 169 H ASP 23 H ASP 23 -21.405 10.596 -11.444 170 HA ASP 23 HA ASP 23 -22.883 9.124 -9.552 171 HB2 ASP 23 HB2 ASP 23 -24.707 9.631 -11.349 172 HB3 ASP 23 HB3 ASP 23 -23.773 8.613 -12.432 173 H ASN 24 H ASN 24 -22.613 6.648 -11.124 174 HA ASN 24 HA ASN 24 -19.821 6.062 -10.883 175 HB2 ASN 24 HB2 ASN 24 -22.195 4.640 -12.202 176 HB3 ASN 24 HB3 ASN 24 -20.624 3.891 -11.948 177 HD21 ASN 24 HD22 ASN 24 -23.376 5.146 -10.167 178 HD22 ASN 24 HD21 ASN 24 -22.930 4.104 -8.799 179 H ILE 25 H ILE 25 -21.245 7.871 -13.282 180 HA ILE 25 HA ILE 25 -19.642 7.044 -15.562 181 HB ILE 25 HB ILE 25 -20.981 8.682 -16.727 182 HG12 ILE 25 HG12 ILE 25 -21.967 9.597 -13.978 183 HG13 ILE 25 HG13 ILE 25 -20.987 10.522 -15.115 184 HG21 ILE 25 HG21 ILE 25 -22.847 7.259 -14.766 185 HG22 ILE 25 HG22 ILE 25 -23.167 7.703 -16.448 186 HG23 ILE 25 HG23 ILE 25 -21.988 6.438 -16.089 187 HD11 ILE 25 HD11 ILE 25 -22.890 10.466 -16.741 188 HD12 ILE 25 HD12 ILE 25 -23.893 9.732 -15.463 189 HD13 ILE 25 HD13 ILE 25 -23.209 11.349 -15.237 190 H LEU 26 H LEU 26 -19.187 9.244 -12.922 191 HA LEU 26 HA LEU 26 -17.054 10.703 -14.412 192 HB2 LEU 26 HB2 LEU 26 -19.021 12.144 -14.428 193 HB3 LEU 26 HB3 LEU 26 -19.231 11.907 -12.688 194 HG LEU 26 HG LEU 26 -17.151 13.105 -12.217 195 HD11 LEU 26 HD11 LEU 26 -15.850 12.658 -14.266 196 HD12 LEU 26 HD12 LEU 26 -16.992 13.673 -15.186 197 HD13 LEU 26 HD13 LEU 26 -15.976 14.379 -13.907 198 HD21 LEU 26 HD21 LEU 26 -17.870 15.368 -12.928 199 HD22 LEU 26 HD22 LEU 26 -19.001 14.642 -14.088 200 HD23 LEU 26 HD23 LEU 26 -19.226 14.406 -12.344 201 H LEU 27 H LEU 27 -15.335 10.805 -13.458 202 HA LEU 27 HA LEU 27 -14.973 10.172 -10.534 203 HB2 LEU 27 HB2 LEU 27 -13.465 9.029 -12.877 204 HB3 LEU 27 HB3 LEU 27 -12.625 9.296 -11.356 205 HG LEU 27 HG LEU 27 -14.221 7.872 -10.151 206 HD11 LEU 27 HD11 LEU 27 -15.452 7.380 -12.887 207 HD12 LEU 27 HD12 LEU 27 -15.716 6.338 -11.468 208 HD13 LEU 27 HD13 LEU 27 -16.262 8.008 -11.437 209 HD21 LEU 27 HD21 LEU 27 -12.140 6.937 -11.204 210 HD22 LEU 27 HD22 LEU 27 -13.444 5.750 -11.019 211 HD23 LEU 27 HD23 LEU 27 -13.113 6.464 -12.609 212 H SER 28 H SER 28 -13.923 11.562 -9.350 213 HA SER 28 HA SER 28 -11.916 13.399 -10.517 214 HB2 SER 28 HB2 SER 28 -14.091 14.602 -10.539 215 HB3 SER 28 HB3 SER 28 -14.211 14.372 -8.779 216 HG SER 28 HG SER 28 -13.274 16.384 -9.562 217 H GLU 29 H GLU 29 -10.335 14.081 -8.988 218 HA GLU 29 HA GLU 29 -10.327 12.341 -6.570 219 HB2 GLU 29 HB2 GLU 29 -7.792 12.964 -8.043 220 HB3 GLU 29 HB3 GLU 29 -8.175 11.718 -6.855 221 HG2 GLU 29 HG2 GLU 29 -8.071 10.481 -8.769 222 HG3 GLU 29 HG3 GLU 29 -9.802 10.734 -8.559 223 H GLU 30 H GLU 30 -9.287 12.868 -4.715 224 HA GLU 30 HA GLU 30 -8.521 15.736 -4.215 225 HB2 GLU 30 HB2 GLU 30 -9.199 13.535 -2.223 226 HB3 GLU 30 HB3 GLU 30 -8.713 15.159 -1.801 227 HG2 GLU 30 HG2 GLU 30 -11.084 15.129 -3.547 228 HG3 GLU 30 HG3 GLU 30 -11.298 14.141 -2.121 229 H GLN 31 H GLN 31 -6.396 16.179 -3.486 230 HA GLN 31 HA GLN 31 -4.496 13.885 -3.334 231 HB2 GLN 31 HB2 GLN 31 -4.025 16.868 -3.745 232 HB3 GLN 31 HB3 GLN 31 -2.793 15.619 -3.615 233 HG2 GLN 31 HG2 GLN 31 -4.330 14.515 -5.592 234 HG3 GLN 31 HG3 GLN 31 -4.675 16.221 -5.880 235 HE21 GLN 31 HE21 GLN 31 -1.893 14.020 -5.206 236 HE22 GLN 31 HE22 GLN 31 -0.880 14.714 -6.470 237 H VAL 32 H VAL 32 -3.916 13.252 -1.298 238 HA VAL 32 HA VAL 32 -4.291 15.171 0.975 239 HB VAL 32 HB VAL 32 -5.565 13.608 2.207 240 HG11 VAL 32 HG11 VAL 32 -6.834 13.598 -0.547 241 HG12 VAL 32 HG12 VAL 32 -7.642 13.454 1.018 242 HG13 VAL 32 HG13 VAL 32 -6.857 14.983 0.577 243 HG21 VAL 32 HG21 VAL 32 -4.570 11.462 1.480 244 HG22 VAL 32 HG22 VAL 32 -6.319 11.446 1.433 245 HG23 VAL 32 HG23 VAL 32 -5.407 11.621 -0.083 246 H ASP 33 H ASP 33 -3.475 14.573 2.978 247 HA ASP 33 HA ASP 33 -0.986 12.969 3.013 248 HB2 ASP 33 HB2 ASP 33 -1.244 15.170 4.222 249 HB3 ASP 33 HB3 ASP 33 -2.392 14.389 5.308 250 H VAL 34 H VAL 34 -0.747 11.095 4.265 251 HA VAL 34 HA VAL 34 -2.886 9.217 4.360 252 HB VAL 34 HB VAL 34 -0.450 8.696 4.293 253 HG11 VAL 34 HG11 VAL 34 -0.532 9.124 7.311 254 HG12 VAL 34 HG12 VAL 34 0.805 8.461 6.363 255 HG13 VAL 34 HG13 VAL 34 0.330 10.149 6.141 256 HG21 VAL 34 HG21 VAL 34 -2.131 6.943 4.699 257 HG22 VAL 34 HG22 VAL 34 -0.594 6.613 5.518 258 HG23 VAL 34 HG23 VAL 34 -1.977 7.200 6.453 259 H GLU 35 H GLU 35 -2.123 11.679 6.731 260 HA GLU 35 HA GLU 35 -3.612 10.644 8.980 261 HB2 GLU 35 HB2 GLU 35 -1.993 12.635 8.838 262 HB3 GLU 35 HB3 GLU 35 -3.335 13.534 8.130 263 HG2 GLU 35 HG2 GLU 35 -3.369 14.088 10.416 264 HG3 GLU 35 HG3 GLU 35 -4.665 12.911 10.249 265 H LEU 36 H LEU 36 -4.729 11.827 5.877 266 HA LEU 36 HA LEU 36 -7.444 12.422 6.912 267 HB2 LEU 36 HB2 LEU 36 -6.192 13.013 4.222 268 HB3 LEU 36 HB3 LEU 36 -7.651 13.726 4.885 269 HG LEU 36 HG LEU 36 -4.806 14.217 5.868 270 HD11 LEU 36 HD11 LEU 36 -6.791 16.043 4.459 271 HD12 LEU 36 HD12 LEU 36 -5.175 16.493 5.039 272 HD13 LEU 36 HD13 LEU 36 -5.341 15.319 3.730 273 HD21 LEU 36 HD21 LEU 36 -6.352 14.354 7.766 274 HD22 LEU 36 HD22 LEU 36 -5.822 15.967 7.301 275 HD23 LEU 36 HD23 LEU 36 -7.441 15.408 6.831 276 H VAL 37 H VAL 37 -6.057 9.743 5.433 277 HA VAL 37 HA VAL 37 -8.495 9.057 3.864 278 HB VAL 37 HB VAL 37 -6.274 8.755 2.826 279 HG11 VAL 37 HG11 VAL 37 -5.866 6.487 4.820 280 HG12 VAL 37 HG12 VAL 37 -4.838 6.878 3.428 281 HG13 VAL 37 HG13 VAL 37 -4.958 8.011 4.775 282 HG21 VAL 37 HG21 VAL 37 -8.199 7.449 2.048 283 HG22 VAL 37 HG22 VAL 37 -6.673 6.567 1.876 284 HG23 VAL 37 HG23 VAL 37 -7.789 6.143 3.183 285 H GLN 38 H GLN 38 -9.783 7.293 4.340 286 HA GLN 38 HA GLN 38 -9.298 5.875 6.941 287 HB2 GLN 38 HB2 GLN 38 -11.676 5.794 7.344 288 HB3 GLN 38 HB3 GLN 38 -11.153 7.451 7.149 289 HG2 GLN 38 HG2 GLN 38 -12.222 7.616 4.990 290 HG3 GLN 38 HG3 GLN 38 -12.443 5.863 4.887 291 HE21 GLN 38 HE22 GLN 38 -13.355 8.524 7.144 292 HE22 GLN 38 HE21 GLN 38 -14.907 7.731 7.458 293 H ARG 39 H ARG 39 -10.370 3.813 7.190 294 HA ARG 39 HA ARG 39 -9.633 1.965 5.123 295 HB2 ARG 39 HB2 ARG 39 -10.116 0.277 6.716 296 HB3 ARG 39 HB3 ARG 39 -9.427 1.641 7.585 297 HG2 ARG 39 HG2 ARG 39 -11.905 2.287 8.078 298 HG3 ARG 39 HG3 ARG 39 -12.312 0.653 7.550 299 HD2 ARG 39 HD2 ARG 39 -10.690 -0.281 9.191 300 HD3 ARG 39 HD3 ARG 39 -10.338 1.359 9.746 301 HE ARG 39 HE ARG 39 -12.485 1.519 10.755 302 HH11 ARG 39 HH11 ARG 39 -12.333 -1.676 9.221 303 HH12 ARG 39 HH12 ARG 39 -13.302 -2.358 10.513 304 HH21 ARG 39 HH21 ARG 39 -13.686 0.483 12.305 305 HH22 ARG 39 HH22 ARG 39 -13.996 -1.244 12.106 306 H GLY 40 H GLY 40 -11.794 3.701 4.240 307 HA2 GLY 40 HA2 GLY 40 -13.500 1.630 3.006 308 HA3 GLY 40 HA3 GLY 40 -14.319 2.961 3.839 309 H ASP 41 H ASP 41 -11.353 3.995 2.429 310 HA ASP 41 HA ASP 41 -12.770 5.423 0.258 311 HB2 ASP 41 HB2 ASP 41 -9.990 5.638 1.474 312 HB3 ASP 41 HB3 ASP 41 -10.526 6.589 0.094 313 H ILE 42 H ILE 42 -11.759 5.618 -1.884 314 HA ILE 42 HA ILE 42 -10.166 3.242 -2.736 315 HB ILE 42 HB ILE 42 -12.311 4.664 -4.344 316 HG12 ILE 42 HG12 ILE 42 -12.231 1.940 -2.968 317 HG13 ILE 42 HG13 ILE 42 -13.296 3.283 -2.583 318 HG21 ILE 42 HG21 ILE 42 -10.575 2.244 -5.039 319 HG22 ILE 42 HG22 ILE 42 -11.854 2.940 -6.058 320 HG23 ILE 42 HG23 ILE 42 -10.404 3.868 -5.738 321 HD11 ILE 42 HD11 ILE 42 -14.418 3.051 -4.767 322 HD12 ILE 42 HD12 ILE 42 -13.421 1.614 -5.117 323 HD13 ILE 42 HD13 ILE 42 -14.539 1.599 -3.752 324 H ILE 43 H ILE 43 -8.237 3.669 -3.547 325 HA ILE 43 HA ILE 43 -7.475 6.468 -4.061 326 HB ILE 43 HB ILE 43 -5.717 4.113 -3.310 327 HG12 ILE 43 HG12 ILE 43 -7.347 4.158 -1.542 328 HG13 ILE 43 HG13 ILE 43 -5.802 4.740 -0.966 329 HG21 ILE 43 HG21 ILE 43 -5.341 7.109 -2.966 330 HG22 ILE 43 HG22 ILE 43 -4.216 5.854 -2.401 331 HG23 ILE 43 HG23 ILE 43 -4.502 6.064 -4.128 332 HD11 ILE 43 HD11 ILE 43 -8.104 6.592 -1.733 333 HD12 ILE 43 HD12 ILE 43 -7.775 6.008 -0.102 334 HD13 ILE 43 HD13 ILE 43 -6.584 7.035 -0.925 335 H LYS 44 H LYS 44 -6.726 7.102 -6.054 336 HA LYS 44 HA LYS 44 -5.972 5.202 -8.140 337 HB2 LYS 44 HB2 LYS 44 -7.191 7.290 -8.526 338 HB3 LYS 44 HB3 LYS 44 -5.726 8.205 -8.138 339 HG2 LYS 44 HG2 LYS 44 -4.543 7.190 -10.003 340 HG3 LYS 44 HG3 LYS 44 -5.857 6.043 -10.309 341 HD2 LYS 44 HD2 LYS 44 -6.262 9.036 -10.438 342 HD3 LYS 44 HD3 LYS 44 -5.664 8.100 -11.825 343 HE2 LYS 44 HE2 LYS 44 -7.696 6.689 -11.756 344 HE3 LYS 44 HE3 LYS 44 -8.330 7.651 -10.410 345 HZ1 LYS 44 HZ1 LYS 44 -7.720 8.759 -13.105 346 HZ2 LYS 44 HZ2 LYS 44 -9.183 8.263 -12.638 347 HZ3 LYS 44 HZ3 LYS 44 -8.494 9.557 -11.879 348 H VAL 45 H VAL 45 -4.030 4.294 -8.499 349 HA VAL 45 HA VAL 45 -1.573 5.672 -7.507 350 HB VAL 45 HB VAL 45 -2.153 3.666 -6.274 351 HG11 VAL 45 HG11 VAL 45 -3.217 2.303 -7.982 352 HG12 VAL 45 HG12 VAL 45 -1.665 2.108 -8.834 353 HG13 VAL 45 HG13 VAL 45 -1.877 1.445 -7.204 354 HG21 VAL 45 HG21 VAL 45 0.215 4.373 -6.507 355 HG22 VAL 45 HG22 VAL 45 0.050 2.617 -6.350 356 HG23 VAL 45 HG23 VAL 45 0.385 3.333 -7.941 357 H VAL 46 H VAL 46 -0.120 6.310 -8.867 358 HA VAL 46 HA VAL 46 -0.482 5.834 -11.740 359 HB VAL 46 HB VAL 46 1.113 7.674 -12.051 360 HG11 VAL 46 HG11 VAL 46 -1.093 8.355 -10.078 361 HG12 VAL 46 HG12 VAL 46 -0.268 9.475 -11.172 362 HG13 VAL 46 HG13 VAL 46 -1.268 8.174 -11.835 363 HG21 VAL 46 HG21 VAL 46 2.594 7.383 -10.117 364 HG22 VAL 46 HG22 VAL 46 1.922 9.017 -10.173 365 HG23 VAL 46 HG23 VAL 46 1.271 7.840 -9.019 366 HA PRO 47 HA PRO 47 3.064 3.251 -12.667 367 HB2 PRO 47 HB2 PRO 47 3.793 5.536 -14.529 368 HB3 PRO 47 HB3 PRO 47 3.917 3.787 -14.824 369 HG2 PRO 47 HG2 PRO 47 1.790 5.144 -15.771 370 HG3 PRO 47 HG3 PRO 47 1.494 3.589 -14.927 371 HD2 PRO 47 HD2 PRO 47 1.238 6.404 -13.860 372 HD3 PRO 47 HD3 PRO 47 0.139 5.009 -13.638 373 H GLY 48 H GLY 48 4.722 3.013 -11.296 374 HA2 GLY 48 HA2 GLY 48 6.892 3.409 -10.454 375 HA3 GLY 48 HA3 GLY 48 6.798 5.103 -10.956 376 H GLY 49 H GLY 49 3.900 4.588 -9.413 377 HA2 GLY 49 HA2 GLY 49 4.703 5.895 -6.946 378 HA3 GLY 49 HA3 GLY 49 3.097 5.336 -7.397 379 H LYS 50 H LYS 50 3.221 4.918 -5.027 380 HA LYS 50 HA LYS 50 3.971 2.066 -4.491 381 HB2 LYS 50 HB2 LYS 50 4.062 4.286 -2.416 382 HB3 LYS 50 HB3 LYS 50 4.602 2.610 -2.247 383 HG2 LYS 50 HG2 LYS 50 6.320 3.129 -4.089 384 HG3 LYS 50 HG3 LYS 50 5.859 4.830 -3.884 385 HD2 LYS 50 HD2 LYS 50 6.378 4.486 -1.374 386 HD3 LYS 50 HD3 LYS 50 7.091 2.955 -1.859 387 HE2 LYS 50 HE2 LYS 50 8.923 4.428 -1.778 388 HE3 LYS 50 HE3 LYS 50 8.545 4.289 -3.509 389 HZ1 LYS 50 HZ1 LYS 50 8.870 6.642 -2.775 390 HZ2 LYS 50 HZ2 LYS 50 7.367 6.416 -3.334 391 HZ3 LYS 50 HZ3 LYS 50 7.644 6.472 -1.702 392 H PHE 51 H PHE 51 2.706 1.012 -2.880 393 HA PHE 51 HA PHE 51 -0.138 1.829 -2.912 394 HB2 PHE 51 HB2 PHE 51 1.209 -0.672 -1.879 395 HB3 PHE 51 HB3 PHE 51 -0.528 -0.389 -1.923 396 HD1 PHE 51 HD1 PHE 51 -1.759 -0.377 -4.086 397 HD2 PHE 51 HD2 PHE 51 2.481 -1.087 -3.955 398 HE1 PHE 51 HE1 PHE 51 -1.806 -1.228 -6.423 399 HE2 PHE 51 HE2 PHE 51 2.444 -1.862 -6.288 400 HZ PHE 51 HZ PHE 51 0.283 -1.954 -7.539 401 HA PRO 52 HA PRO 52 0.929 3.690 0.994 402 HB2 PRO 52 HB2 PRO 52 -1.094 5.472 1.319 403 HB3 PRO 52 HB3 PRO 52 0.085 5.593 -0.020 404 HG2 PRO 52 HG2 PRO 52 -2.703 4.404 -0.103 405 HG3 PRO 52 HG3 PRO 52 -1.949 5.555 -1.248 406 HD2 PRO 52 HD2 PRO 52 -2.028 2.815 -1.653 407 HD3 PRO 52 HD3 PRO 52 -0.735 3.872 -2.286 408 H VAL 53 H VAL 53 -1.704 1.568 0.805 409 HA VAL 53 HA VAL 53 -1.890 0.992 3.613 410 HB VAL 53 HB VAL 53 -4.498 1.152 3.476 411 HG11 VAL 53 HG11 VAL 53 -2.897 3.669 4.053 412 HG12 VAL 53 HG12 VAL 53 -4.499 3.237 4.681 413 HG13 VAL 53 HG13 VAL 53 -3.087 2.288 5.158 414 HG21 VAL 53 HG21 VAL 53 -4.601 2.068 1.158 415 HG22 VAL 53 HG22 VAL 53 -5.375 3.123 2.367 416 HG23 VAL 53 HG23 VAL 53 -3.785 3.543 1.737 417 H ASP 54 H ASP 54 -3.296 -1.049 3.854 418 HA ASP 54 HA ASP 54 -2.924 -2.648 1.403 419 HB2 ASP 54 HB2 ASP 54 -2.873 -4.563 2.647 420 HB3 ASP 54 HB3 ASP 54 -1.947 -3.393 3.562 421 H GLY 55 H GLY 55 -4.439 -4.029 0.464 422 HA2 GLY 55 HA2 GLY 55 -7.159 -4.274 0.932 423 HA3 GLY 55 HA3 GLY 55 -6.995 -2.695 0.172 424 H ARG 56 H ARG 56 -8.334 -3.544 -1.448 425 HA ARG 56 HA ARG 56 -7.241 -5.642 -3.257 426 HB2 ARG 56 HB2 ARG 56 -9.442 -5.897 -2.010 427 HB3 ARG 56 HB3 ARG 56 -10.108 -4.662 -3.082 428 HG2 ARG 56 HG2 ARG 56 -9.658 -6.129 -5.038 429 HG3 ARG 56 HG3 ARG 56 -8.837 -7.288 -3.989 430 HD2 ARG 56 HD2 ARG 56 -10.966 -8.175 -4.377 431 HD3 ARG 56 HD3 ARG 56 -10.969 -7.599 -2.705 432 HE ARG 56 HE ARG 56 -12.097 -5.474 -3.729 433 HH11 ARG 56 HH11 ARG 56 -12.955 -8.787 -4.608 434 HH12 ARG 56 HH12 ARG 56 -14.288 -8.213 -5.600 435 HH21 ARG 56 HH21 ARG 56 -13.917 -4.945 -4.598 436 HH22 ARG 56 HH22 ARG 56 -15.006 -6.142 -5.301 437 H VAL 57 H VAL 57 -7.168 -5.511 -5.424 438 HA VAL 57 HA VAL 57 -7.280 -2.819 -6.729 439 HB VAL 57 HB VAL 57 -5.863 -5.322 -7.751 440 HG11 VAL 57 HG11 VAL 57 -5.472 -2.360 -8.366 441 HG12 VAL 57 HG12 VAL 57 -4.530 -3.698 -9.054 442 HG13 VAL 57 HG13 VAL 57 -6.247 -3.553 -9.431 443 HG21 VAL 57 HG21 VAL 57 -3.735 -4.263 -6.911 444 HG22 VAL 57 HG22 VAL 57 -4.747 -3.188 -5.918 445 HG23 VAL 57 HG23 VAL 57 -4.781 -4.938 -5.660 446 H ILE 58 H ILE 58 -9.081 -2.542 -8.027 447 HA ILE 58 HA ILE 58 -10.053 -4.868 -9.632 448 HB ILE 58 HB ILE 58 -12.447 -4.103 -9.164 449 HG12 ILE 58 HG12 ILE 58 -11.289 -3.123 -6.546 450 HG13 ILE 58 HG13 ILE 58 -11.556 -1.997 -7.892 451 HG21 ILE 58 HG21 ILE 58 -10.940 -5.510 -6.943 452 HG22 ILE 58 HG22 ILE 58 -12.677 -5.599 -7.292 453 HG23 ILE 58 HG23 ILE 58 -11.531 -6.250 -8.452 454 HD11 ILE 58 HD11 ILE 58 -13.948 -2.609 -7.989 455 HD12 ILE 58 HD12 ILE 58 -13.734 -3.668 -6.576 456 HD13 ILE 58 HD13 ILE 58 -13.490 -1.918 -6.427 457 H GLU 59 H GLU 59 -8.444 -2.631 -10.358 458 HA GLU 59 HA GLU 59 -9.630 -2.359 -12.934 459 HB2 GLU 59 HB2 GLU 59 -10.517 -0.308 -11.381 460 HB3 GLU 59 HB3 GLU 59 -8.973 0.375 -11.835 461 HG2 GLU 59 HG2 GLU 59 -11.174 -0.628 -13.704 462 HG3 GLU 59 HG3 GLU 59 -10.819 1.056 -13.336 463 H GLY 60 H GLY 60 -7.913 -2.568 -14.275 464 HA2 GLY 60 HA2 GLY 60 -5.859 -1.956 -15.207 465 HA3 GLY 60 HA3 GLY 60 -5.340 -1.260 -13.688 466 H HIS 61 H HIS 61 -3.531 -2.455 -14.771 467 HA HIS 61 HA HIS 61 -3.073 -5.163 -13.616 468 HB2 HIS 61 HB2 HIS 61 -2.447 -5.932 -16.040 469 HB3 HIS 61 HB3 HIS 61 -4.114 -5.947 -15.493 470 HD1 HIS 61 HD1 HIS 61 -5.848 -4.647 -16.978 471 HD2 HIS 61 HD2 HIS 61 -1.812 -3.661 -17.694 472 HE1 HIS 61 HE1 HIS 61 -5.844 -2.981 -18.890 473 H SER 62 H SER 62 -1.197 -4.892 -12.588 474 HA SER 62 HA SER 62 1.130 -3.548 -13.837 475 HB2 SER 62 HB2 SER 62 1.376 -2.720 -11.531 476 HB3 SER 62 HB3 SER 62 -0.177 -2.263 -12.141 477 HG SER 62 HG SER 62 0.402 -4.468 -10.443 478 H MET 63 H MET 63 3.126 -3.942 -12.515 479 HA MET 63 HA MET 63 3.221 -6.604 -11.160 480 HB2 MET 63 HB2 MET 63 4.523 -6.609 -13.226 481 HB3 MET 63 HB3 MET 63 5.477 -5.229 -12.668 482 HG2 MET 63 HG2 MET 63 6.457 -6.459 -10.907 483 HG3 MET 63 HG3 MET 63 5.269 -7.761 -11.010 484 HE1 MET 63 HE1 MET 63 6.317 -9.895 -13.995 485 HE2 MET 63 HE2 MET 63 5.395 -9.830 -12.474 486 HE3 MET 63 HE3 MET 63 4.986 -8.743 -13.823 487 H VAL 64 H VAL 64 4.082 -6.669 -9.157 488 HA VAL 64 HA VAL 64 4.683 -4.072 -7.803 489 HB VAL 64 HB VAL 64 3.115 -6.450 -6.742 490 HG11 VAL 64 HG11 VAL 64 3.736 -3.746 -5.461 491 HG12 VAL 64 HG12 VAL 64 2.537 -4.908 -4.855 492 HG13 VAL 64 HG13 VAL 64 4.237 -5.349 -4.871 493 HG21 VAL 64 HG21 VAL 64 1.807 -5.228 -8.380 494 HG22 VAL 64 HG22 VAL 64 1.225 -4.772 -6.770 495 HG23 VAL 64 HG23 VAL 64 2.284 -3.675 -7.683 496 H ASP 65 H ASP 65 6.192 -3.933 -6.221 497 HA ASP 65 HA ASP 65 8.051 -6.243 -5.823 498 HB2 ASP 65 HB2 ASP 65 9.037 -4.455 -7.122 499 HB3 ASP 65 HB3 ASP 65 8.499 -3.245 -5.956 500 H GLU 66 H GLU 66 7.660 -7.140 -3.940 501 HA GLU 66 HA GLU 66 7.105 -5.521 -1.483 502 HB2 GLU 66 HB2 GLU 66 5.488 -7.282 -0.867 503 HB3 GLU 66 HB3 GLU 66 5.041 -6.427 -2.347 504 HG2 GLU 66 HG2 GLU 66 5.643 -8.264 -3.735 505 HG3 GLU 66 HG3 GLU 66 6.526 -9.074 -2.433 506 H SER 67 H SER 67 9.513 -7.069 -2.584 507 HA SER 67 HA SER 67 9.978 -9.432 -1.223 508 HB2 SER 67 HB2 SER 67 12.334 -9.178 -1.853 509 HB3 SER 67 HB3 SER 67 11.265 -8.660 -3.162 510 HG SER 67 HG SER 67 12.852 -7.116 -2.924 511 H LEU 68 H LEU 68 10.160 -6.384 0.399 512 HA LEU 68 HA LEU 68 11.771 -7.523 2.608 513 HB2 LEU 68 HB2 LEU 68 12.092 -5.210 1.647 514 HB3 LEU 68 HB3 LEU 68 10.467 -4.792 2.131 515 HG LEU 68 HG LEU 68 12.146 -3.746 3.478 516 HD11 LEU 68 HD11 LEU 68 9.904 -4.428 4.508 517 HD12 LEU 68 HD12 LEU 68 10.826 -5.673 5.383 518 HD13 LEU 68 HD13 LEU 68 11.230 -3.972 5.595 519 HD21 LEU 68 HD21 LEU 68 12.947 -6.477 4.518 520 HD22 LEU 68 HD22 LEU 68 13.899 -5.464 3.408 521 HD23 LEU 68 HD23 LEU 68 13.561 -4.890 5.048 522 H ILE 69 H ILE 69 8.408 -6.819 1.798 523 HA ILE 69 HA ILE 69 7.468 -6.891 4.580 524 HB ILE 69 HB ILE 69 5.793 -7.140 2.054 525 HG12 ILE 69 HG12 ILE 69 7.128 -4.986 2.068 526 HG13 ILE 69 HG13 ILE 69 5.391 -4.875 1.929 527 HG21 ILE 69 HG21 ILE 69 4.008 -6.228 3.671 528 HG22 ILE 69 HG22 ILE 69 4.543 -7.885 3.961 529 HG23 ILE 69 HG23 ILE 69 5.147 -6.561 4.976 530 HD11 ILE 69 HD11 ILE 69 5.148 -4.160 4.231 531 HD12 ILE 69 HD12 ILE 69 6.899 -4.382 4.522 532 HD13 ILE 69 HD13 ILE 69 6.314 -3.132 3.391 533 H THR 70 H THR 70 6.857 -9.029 1.757 534 HA THR 70 HA THR 70 5.913 -11.193 3.526 535 HB THR 70 HB THR 70 5.196 -12.209 1.388 536 HG1 THR 70 HG1 THR 70 5.513 -10.679 -0.471 537 HG21 THR 70 HG21 THR 70 4.449 -9.262 1.335 538 HG22 THR 70 HG22 THR 70 3.496 -10.670 0.828 539 HG23 THR 70 HG23 THR 70 3.807 -10.404 2.544 540 H GLY 71 H GLY 71 8.781 -10.371 1.959 541 HA2 GLY 71 HA2 GLY 71 10.834 -11.393 1.810 542 HA3 GLY 71 HA3 GLY 71 10.181 -12.876 2.537 543 H GLU 72 H GLU 72 8.229 -11.835 -0.113 544 HA GLU 72 HA GLU 72 9.106 -13.956 -1.925 545 HB2 GLU 72 HB2 GLU 72 7.358 -11.502 -2.343 546 HB3 GLU 72 HB3 GLU 72 7.664 -12.700 -3.593 547 HG2 GLU 72 HG2 GLU 72 6.376 -13.445 -0.939 548 HG3 GLU 72 HG3 GLU 72 5.485 -12.813 -2.320 549 H ALA 73 H ALA 73 11.299 -13.768 -2.505 550 HA ALA 73 HA ALA 73 12.519 -11.216 -2.957 551 HB1 ALA 73 HB1 ALA 73 13.567 -14.056 -3.287 552 HB2 ALA 73 HB2 ALA 73 14.554 -12.580 -3.202 553 HB3 ALA 73 HB3 ALA 73 13.611 -13.093 -1.794 554 H MET 74 H MET 74 10.382 -11.760 -4.805 555 HA MET 74 HA MET 74 11.632 -11.263 -7.364 556 HB2 MET 74 HB2 MET 74 10.569 -13.143 -8.493 557 HB3 MET 74 HB3 MET 74 11.715 -13.706 -7.296 558 HG2 MET 74 HG2 MET 74 9.823 -14.150 -5.739 559 HG3 MET 74 HG3 MET 74 8.693 -13.696 -7.012 560 HE1 MET 74 HE1 MET 74 10.046 -15.087 -9.696 561 HE2 MET 74 HE2 MET 74 9.029 -16.543 -9.636 562 HE3 MET 74 HE3 MET 74 8.338 -14.964 -9.221 563 HA PRO 75 HA PRO 75 7.954 -8.846 -7.266 564 HB2 PRO 75 HB2 PRO 75 7.812 -7.793 -9.744 565 HB3 PRO 75 HB3 PRO 75 9.191 -7.465 -8.653 566 HG2 PRO 75 HG2 PRO 75 9.026 -9.558 -10.852 567 HG3 PRO 75 HG3 PRO 75 10.315 -8.346 -10.584 568 HD2 PRO 75 HD2 PRO 75 10.541 -10.900 -9.670 569 HD3 PRO 75 HD3 PRO 75 11.174 -9.508 -8.737 570 H VAL 76 H VAL 76 5.757 -8.735 -7.736 571 HA VAL 76 HA VAL 76 4.633 -11.246 -8.931 572 HB VAL 76 HB VAL 76 3.462 -9.723 -6.587 573 HG11 VAL 76 HG11 VAL 76 1.887 -11.231 -7.754 574 HG12 VAL 76 HG12 VAL 76 3.061 -12.567 -7.634 575 HG13 VAL 76 HG13 VAL 76 2.313 -11.892 -6.177 576 HG21 VAL 76 HG21 VAL 76 5.653 -10.515 -5.829 577 HG22 VAL 76 HG22 VAL 76 4.396 -11.537 -5.143 578 HG23 VAL 76 HG23 VAL 76 5.349 -12.123 -6.523 579 H ALA 77 H ALA 77 2.911 -11.216 -10.250 580 HA ALA 77 HA ALA 77 2.131 -8.644 -11.401 581 HB1 ALA 77 HB1 ALA 77 2.683 -10.591 -12.795 582 HB2 ALA 77 HB2 ALA 77 1.307 -11.484 -12.099 583 HB3 ALA 77 HB3 ALA 77 1.026 -10.033 -13.079 584 H LYS 78 H LYS 78 0.131 -7.769 -11.540 585 HA LYS 78 HA LYS 78 -2.111 -8.829 -9.841 586 HB2 LYS 78 HB2 LYS 78 -1.369 -5.909 -10.191 587 HB3 LYS 78 HB3 LYS 78 -2.646 -6.530 -9.165 588 HG2 LYS 78 HG2 LYS 78 0.322 -7.067 -8.712 589 HG3 LYS 78 HG3 LYS 78 -0.582 -5.735 -7.994 590 HD2 LYS 78 HD2 LYS 78 -1.908 -7.198 -6.649 591 HD3 LYS 78 HD3 LYS 78 -1.511 -8.601 -7.646 592 HE2 LYS 78 HE2 LYS 78 0.877 -8.433 -6.876 593 HE3 LYS 78 HE3 LYS 78 0.395 -7.144 -5.759 594 HZ1 LYS 78 HZ1 LYS 78 0.442 -9.340 -4.702 595 HZ2 LYS 78 HZ2 LYS 78 -1.066 -8.705 -4.650 596 HZ3 LYS 78 HZ3 LYS 78 -0.693 -9.910 -5.731 597 H LYS 79 H LYS 79 -4.178 -8.310 -10.427 598 HA LYS 79 HA LYS 79 -4.895 -7.088 -13.021 599 HB2 LYS 79 HB2 LYS 79 -5.014 -10.021 -12.273 600 HB3 LYS 79 HB3 LYS 79 -6.456 -9.365 -13.018 601 HG2 LYS 79 HG2 LYS 79 -5.142 -8.581 -14.963 602 HG3 LYS 79 HG3 LYS 79 -3.661 -9.178 -14.205 603 HD2 LYS 79 HD2 LYS 79 -4.410 -10.769 -15.874 604 HD3 LYS 79 HD3 LYS 79 -4.548 -11.493 -14.268 605 HE2 LYS 79 HE2 LYS 79 -6.972 -11.086 -14.252 606 HE3 LYS 79 HE3 LYS 79 -6.866 -10.204 -15.784 607 HZ1 LYS 79 HZ1 LYS 79 -6.136 -12.256 -16.846 608 HZ2 LYS 79 HZ2 LYS 79 -6.198 -13.072 -15.442 609 HZ3 LYS 79 HZ3 LYS 79 -7.593 -12.497 -16.119 610 HA PRO 80 HA PRO 80 -8.493 -6.006 -10.524 611 HB2 PRO 80 HB2 PRO 80 -10.743 -6.786 -11.942 612 HB3 PRO 80 HB3 PRO 80 -9.783 -5.318 -12.294 613 HG2 PRO 80 HG2 PRO 80 -9.544 -8.045 -13.601 614 HG3 PRO 80 HG3 PRO 80 -9.664 -6.441 -14.397 615 HD2 PRO 80 HD2 PRO 80 -7.268 -7.612 -14.058 616 HD3 PRO 80 HD3 PRO 80 -7.453 -5.866 -13.753 617 H GLY 81 H GLY 81 -9.486 -6.961 -8.825 618 HA2 GLY 81 HA2 GLY 81 -10.351 -8.637 -7.433 619 HA3 GLY 81 HA3 GLY 81 -10.062 -9.858 -8.671 620 H SER 82 H SER 82 -7.342 -7.719 -7.867 621 HA SER 82 HA SER 82 -5.952 -10.019 -6.532 622 HB2 SER 82 HB2 SER 82 -4.905 -7.595 -8.038 623 HB3 SER 82 HB3 SER 82 -3.893 -8.623 -7.029 624 HG SER 82 HG SER 82 -5.461 -9.712 -9.128 625 H THR 83 H THR 83 -4.438 -9.328 -4.728 626 HA THR 83 HA THR 83 -5.322 -6.790 -3.398 627 HB THR 83 HB THR 83 -5.163 -7.735 -1.198 628 HG1 THR 83 HG1 THR 83 -5.185 -9.965 -0.963 629 HG21 THR 83 HG21 THR 83 -7.233 -9.047 -1.215 630 HG22 THR 83 HG22 THR 83 -7.350 -7.688 -2.314 631 HG23 THR 83 HG23 THR 83 -7.079 -9.325 -2.958 632 H VAL 84 H VAL 84 -3.914 -5.881 -1.842 633 HA VAL 84 HA VAL 84 -1.013 -6.236 -2.391 634 HB VAL 84 HB VAL 84 -0.818 -3.758 -2.654 635 HG11 VAL 84 HG11 VAL 84 -1.353 -3.766 -5.024 636 HG12 VAL 84 HG12 VAL 84 -0.640 -5.312 -4.546 637 HG13 VAL 84 HG13 VAL 84 -2.391 -5.193 -4.823 638 HG21 VAL 84 HG21 VAL 84 -3.057 -3.089 -1.785 639 HG22 VAL 84 HG22 VAL 84 -2.734 -2.462 -3.408 640 HG23 VAL 84 HG23 VAL 84 -3.817 -3.844 -3.204 641 H ILE 85 H ILE 85 0.365 -5.042 -0.969 642 HA ILE 85 HA ILE 85 -0.757 -4.344 1.697 643 HB ILE 85 HB ILE 85 1.241 -4.998 2.794 644 HG12 ILE 85 HG12 ILE 85 3.026 -4.620 1.320 645 HG13 ILE 85 HG13 ILE 85 3.031 -6.327 1.726 646 HG21 ILE 85 HG21 ILE 85 0.297 -7.322 1.092 647 HG22 ILE 85 HG22 ILE 85 1.111 -7.397 2.667 648 HG23 ILE 85 HG23 ILE 85 -0.508 -6.689 2.544 649 HD11 ILE 85 HD11 ILE 85 3.618 -6.063 -0.556 650 HD12 ILE 85 HD12 ILE 85 2.036 -6.859 -0.494 651 HD13 ILE 85 HD13 ILE 85 2.176 -5.129 -0.919 652 H ALA 86 H ALA 86 0.325 -2.681 2.881 653 HA ALA 86 HA ALA 86 0.949 -0.443 1.227 654 HB1 ALA 86 HB1 ALA 86 1.311 -0.722 4.239 655 HB2 ALA 86 HB2 ALA 86 1.097 0.784 3.319 656 HB3 ALA 86 HB3 ALA 86 -0.236 -0.381 3.448 657 H GLY 87 H GLY 87 2.832 0.774 1.020 658 HA2 GLY 87 HA2 GLY 87 5.095 1.342 1.177 659 HA3 GLY 87 HA3 GLY 87 5.385 -0.049 2.227 660 H SER 88 H SER 88 3.805 -1.320 -0.378 661 HA SER 88 HA SER 88 6.257 -2.291 -1.697 662 HB2 SER 88 HB2 SER 88 4.751 -3.750 -2.946 663 HB3 SER 88 HB3 SER 88 4.480 -3.904 -1.210 664 HG SER 88 HG SER 88 2.532 -2.905 -1.412 665 H ILE 89 H ILE 89 6.481 -2.175 -4.040 666 HA ILE 89 HA ILE 89 5.756 0.577 -4.962 667 HB ILE 89 HB ILE 89 8.022 -0.976 -6.160 668 HG12 ILE 89 HG12 ILE 89 8.542 -1.197 -3.790 669 HG13 ILE 89 HG13 ILE 89 9.650 -0.120 -4.604 670 HG21 ILE 89 HG21 ILE 89 7.466 1.988 -5.689 671 HG22 ILE 89 HG22 ILE 89 8.938 1.335 -6.424 672 HG23 ILE 89 HG23 ILE 89 7.378 1.118 -7.225 673 HD11 ILE 89 HD11 ILE 89 7.316 0.847 -2.897 674 HD12 ILE 89 HD12 ILE 89 8.983 0.673 -2.336 675 HD13 ILE 89 HD13 ILE 89 8.609 1.843 -3.610 676 H ASN 90 H ASN 90 4.869 0.988 -6.943 677 HA ASN 90 HA ASN 90 3.682 -1.268 -8.422 678 HB2 ASN 90 HB2 ASN 90 2.010 0.280 -8.129 679 HB3 ASN 90 HB3 ASN 90 3.103 1.635 -7.986 680 HD21 ASN 90 HD22 ASN 90 0.540 0.828 -9.888 681 HD22 ASN 90 HD21 ASN 90 1.220 1.387 -11.413 682 H GLN 91 H GLN 91 3.839 -1.621 -10.612 683 HA GLN 91 HA GLN 91 5.743 0.014 -12.193 684 HB2 GLN 91 HB2 GLN 91 6.436 -2.471 -11.566 685 HB3 GLN 91 HB3 GLN 91 5.218 -2.900 -12.775 686 HG2 GLN 91 HG2 GLN 91 7.309 -2.887 -13.890 687 HG3 GLN 91 HG3 GLN 91 6.479 -1.427 -14.433 688 HE21 GLN 91 HE22 GLN 91 7.377 0.697 -13.675 689 HE22 GLN 91 HE21 GLN 91 8.898 0.727 -12.812 690 H ASN 92 H ASN 92 4.807 0.950 -13.795 691 HA ASN 92 HA ASN 92 3.171 1.831 -15.158 692 HB2 ASN 92 HB2 ASN 92 4.334 0.027 -16.446 693 HB3 ASN 92 HB3 ASN 92 3.010 -1.071 -16.045 694 HD21 ASN 92 HD22 ASN 92 1.405 -1.148 -17.584 695 HD22 ASN 92 HD21 ASN 92 0.928 0.231 -18.573 696 H GLY 93 H GLY 93 0.577 0.227 -16.018 697 HA2 GLY 93 HA2 GLY 93 -1.046 -1.149 -14.924 698 HA3 GLY 93 HA3 GLY 93 -0.463 -0.506 -13.385 699 H SER 94 H SER 94 -0.622 2.119 -13.485 700 HA SER 94 HA SER 94 -2.144 3.670 -12.839 701 HB2 SER 94 HB2 SER 94 -3.290 3.172 -15.626 702 HB3 SER 94 HB3 SER 94 -3.662 4.566 -14.599 703 HG SER 94 HG SER 94 -2.005 5.445 -15.422 704 H LEU 95 H LEU 95 -3.017 2.480 -11.148 705 HA LEU 95 HA LEU 95 -5.446 0.815 -11.702 706 HB2 LEU 95 HB2 LEU 95 -3.787 0.513 -9.261 707 HB3 LEU 95 HB3 LEU 95 -4.773 -0.678 -10.034 708 HG LEU 95 HG LEU 95 -2.081 0.311 -11.111 709 HD11 LEU 95 HD11 LEU 95 -1.929 -0.651 -8.803 710 HD12 LEU 95 HD12 LEU 95 -2.611 -2.165 -9.446 711 HD13 LEU 95 HD13 LEU 95 -1.058 -1.534 -10.040 712 HD21 LEU 95 HD21 LEU 95 -3.492 -0.774 -12.768 713 HD22 LEU 95 HD22 LEU 95 -2.186 -1.880 -12.315 714 HD23 LEU 95 HD23 LEU 95 -3.812 -2.132 -11.658 715 H LEU 96 H LEU 96 -6.994 0.564 -9.936 716 HA LEU 96 HA LEU 96 -7.072 2.822 -7.982 717 HB2 LEU 96 HB2 LEU 96 -9.427 1.612 -9.471 718 HB3 LEU 96 HB3 LEU 96 -9.562 2.519 -7.974 719 HG LEU 96 HG LEU 96 -8.260 4.423 -9.210 720 HD11 LEU 96 HD11 LEU 96 -7.694 3.229 -11.305 721 HD12 LEU 96 HD12 LEU 96 -9.411 2.887 -11.589 722 HD13 LEU 96 HD13 LEU 96 -8.804 4.552 -11.639 723 HD21 LEU 96 HD21 LEU 96 -10.387 5.332 -10.056 724 HD22 LEU 96 HD22 LEU 96 -11.133 3.726 -9.934 725 HD23 LEU 96 HD23 LEU 96 -10.596 4.578 -8.469 726 H ILE 97 H ILE 97 -7.013 2.279 -5.971 727 HA ILE 97 HA ILE 97 -7.209 -0.585 -5.190 728 HB ILE 97 HB ILE 97 -5.723 1.592 -3.705 729 HG12 ILE 97 HG12 ILE 97 -4.779 1.739 -5.926 730 HG13 ILE 97 HG13 ILE 97 -3.643 1.059 -4.785 731 HG21 ILE 97 HG21 ILE 97 -6.072 -0.484 -2.477 732 HG22 ILE 97 HG22 ILE 97 -5.417 -1.438 -3.820 733 HG23 ILE 97 HG23 ILE 97 -4.364 -0.338 -2.908 734 HD11 ILE 97 HD11 ILE 97 -5.294 -0.633 -6.707 735 HD12 ILE 97 HD12 ILE 97 -3.647 -0.063 -7.013 736 HD13 ILE 97 HD13 ILE 97 -3.954 -1.160 -5.660 737 H CYS 98 H CYS 98 -8.772 -1.186 -3.789 738 HA CYS 98 HA CYS 98 -10.357 0.851 -2.309 739 HB2 CYS 98 HB2 CYS 98 -10.783 -2.138 -2.661 740 HB3 CYS 98 HB3 CYS 98 -11.916 -0.999 -1.914 741 HG CYS 98 HG CYS 98 -12.311 0.472 -4.035 742 H ALA 99 H ALA 99 -9.436 1.463 -0.479 743 HA ALA 99 HA ALA 99 -7.549 -0.232 0.988 744 HB1 ALA 99 HB1 ALA 99 -8.616 2.578 1.506 745 HB2 ALA 99 HB2 ALA 99 -7.279 1.797 2.372 746 HB3 ALA 99 HB3 ALA 99 -7.121 2.161 0.636 747 H THR 100 H THR 100 -7.973 -1.469 2.673 748 HA THR 100 HA THR 100 -10.514 -1.081 4.243 749 HB THR 100 HB THR 100 -10.257 -3.730 4.491 750 HG1 THR 100 HG1 THR 100 -8.549 -4.254 3.259 751 HG21 THR 100 HG21 THR 100 -11.310 -2.337 1.995 752 HG22 THR 100 HG22 THR 100 -11.747 -3.973 2.547 753 HG23 THR 100 HG23 THR 100 -12.183 -2.566 3.525 754 H HIS 101 H HIS 101 -7.317 -0.687 4.789 755 HA HIS 101 HA HIS 101 -7.919 -0.881 7.684 756 HB2 HIS 101 HB2 HIS 101 -5.418 -1.926 6.301 757 HB3 HIS 101 HB3 HIS 101 -5.560 -1.685 8.036 758 HD1 HIS 101 HD1 HIS 101 -5.961 -4.371 5.611 759 HD2 HIS 101 HD2 HIS 101 -7.885 -3.094 9.128 760 HE1 HIS 101 HE1 HIS 101 -7.337 -6.351 6.426 761 H VAL 102 H VAL 102 -6.983 0.699 8.940 762 HA VAL 102 HA VAL 102 -5.706 2.991 7.562 763 HB VAL 102 HB VAL 102 -7.622 3.121 9.300 764 HG11 VAL 102 HG11 VAL 102 -6.503 1.766 11.072 765 HG12 VAL 102 HG12 VAL 102 -5.293 3.058 11.260 766 HG13 VAL 102 HG13 VAL 102 -6.998 3.379 11.606 767 HG21 VAL 102 HG21 VAL 102 -6.900 5.308 10.039 768 HG22 VAL 102 HG22 VAL 102 -5.226 4.966 9.578 769 HG23 VAL 102 HG23 VAL 102 -6.496 5.066 8.336 770 H GLY 103 H GLY 103 -3.653 4.001 8.907 771 HA2 GLY 103 HA2 GLY 103 -1.610 2.105 8.274 772 HA3 GLY 103 HA3 GLY 103 -1.414 3.674 9.026 773 H ALA 104 H ALA 104 -2.871 3.300 11.421 774 HA ALA 104 HA ALA 104 -1.087 1.974 13.157 775 HB1 ALA 104 HB1 ALA 104 -2.910 2.282 14.808 776 HB2 ALA 104 HB2 ALA 104 -2.696 3.733 13.811 777 HB3 ALA 104 HB3 ALA 104 -4.054 2.631 13.498 778 H ASP 105 H ASP 105 -3.800 0.657 11.346 779 HA ASP 105 HA ASP 105 -3.946 -1.865 12.842 780 HB2 ASP 105 HB2 ASP 105 -5.856 -0.598 11.607 781 HB3 ASP 105 HB3 ASP 105 -5.196 -1.320 10.146 782 H THR 106 H THR 106 -1.772 -0.661 10.422 783 HA THR 106 HA THR 106 -1.846 -2.994 8.705 784 HB THR 106 HB THR 106 0.124 -2.124 7.588 785 HG1 THR 106 HG1 THR 106 0.062 -0.010 9.448 786 HG21 THR 106 HG21 THR 106 -2.015 -0.050 8.074 787 HG22 THR 106 HG22 THR 106 -0.785 0.026 6.791 788 HG23 THR 106 HG23 THR 106 -1.977 -1.291 6.816 789 H THR 107 H THR 107 -0.142 -4.417 8.199 790 HA THR 107 HA THR 107 1.035 -5.689 10.485 791 HB THR 107 HB THR 107 0.317 -6.725 8.287 792 HG1 THR 107 HG1 THR 107 1.374 -7.841 9.857 793 HG21 THR 107 HG21 THR 107 3.130 -5.999 7.378 794 HG22 THR 107 HG22 THR 107 1.959 -7.039 6.543 795 HG23 THR 107 HG23 THR 107 1.618 -5.314 6.716 796 H LEU 108 H LEU 108 2.295 -3.199 8.292 797 HA LEU 108 HA LEU 108 5.067 -3.389 8.860 798 HB2 LEU 108 HB2 LEU 108 3.320 -0.932 8.331 799 HB3 LEU 108 HB3 LEU 108 5.068 -0.891 8.456 800 HG LEU 108 HG LEU 108 5.234 -2.389 6.438 801 HD11 LEU 108 HD11 LEU 108 2.247 -1.823 6.331 802 HD12 LEU 108 HD12 LEU 108 3.219 -2.406 4.951 803 HD13 LEU 108 HD13 LEU 108 3.046 -3.433 6.361 804 HD21 LEU 108 HD21 LEU 108 5.429 0.081 6.393 805 HD22 LEU 108 HD22 LEU 108 4.675 -0.536 4.906 806 HD23 LEU 108 HD23 LEU 108 3.668 0.207 6.175 807 H SER 109 H SER 109 2.602 -1.348 10.460 808 HA SER 109 HA SER 109 4.363 -0.391 12.506 809 HB2 SER 109 HB2 SER 109 2.237 0.509 13.495 810 HB3 SER 109 HB3 SER 109 2.534 0.958 11.810 811 HG SER 109 HG SER 109 0.496 0.308 11.753 812 H GLN 110 H GLN 110 2.388 -3.247 12.234 813 HA GLN 110 HA GLN 110 2.563 -3.977 15.061 814 HB2 GLN 110 HB2 GLN 110 0.781 -4.843 13.513 815 HB3 GLN 110 HB3 GLN 110 1.990 -5.818 12.717 816 HG2 GLN 110 HG2 GLN 110 0.987 -7.278 14.248 817 HG3 GLN 110 HG3 GLN 110 2.517 -6.872 15.007 818 HE21 GLN 110 HE22 GLN 110 -0.944 -6.157 14.932 819 HE22 GLN 110 HE21 GLN 110 -0.974 -5.335 16.495 820 H ILE 111 H ILE 111 4.504 -4.897 12.157 821 HA ILE 111 HA ILE 111 6.102 -6.870 13.384 822 HB ILE 111 HB ILE 111 6.691 -4.912 11.144 823 HG12 ILE 111 HG12 ILE 111 6.270 -7.928 10.972 824 HG13 ILE 111 HG13 ILE 111 4.908 -6.826 10.998 825 HG21 ILE 111 HG21 ILE 111 8.414 -7.271 12.038 826 HG22 ILE 111 HG22 ILE 111 8.615 -6.394 10.510 827 HG23 ILE 111 HG23 ILE 111 8.893 -5.557 12.030 828 HD11 ILE 111 HD11 ILE 111 7.095 -6.880 8.885 829 HD12 ILE 111 HD12 ILE 111 5.391 -7.334 8.708 830 HD13 ILE 111 HD13 ILE 111 5.818 -5.641 8.992 831 H VAL 112 H VAL 112 6.904 -3.365 13.124 832 HA VAL 112 HA VAL 112 9.173 -3.527 14.808 833 HB VAL 112 HB VAL 112 9.133 -1.139 14.978 834 HG11 VAL 112 HG11 VAL 112 8.078 -1.905 12.226 835 HG12 VAL 112 HG12 VAL 112 9.163 -0.563 12.633 836 HG13 VAL 112 HG13 VAL 112 9.726 -2.237 12.789 837 HG21 VAL 112 HG21 VAL 112 6.757 -0.679 15.432 838 HG22 VAL 112 HG22 VAL 112 7.361 0.252 14.056 839 HG23 VAL 112 HG23 VAL 112 6.341 -1.172 13.770 840 H LYS 113 H LYS 113 5.816 -3.447 15.776 841 HA LYS 113 HA LYS 113 6.374 -2.875 18.601 842 HB2 LYS 113 HB2 LYS 113 3.924 -3.959 17.155 843 HB3 LYS 113 HB3 LYS 113 4.031 -3.827 18.905 844 HG2 LYS 113 HG2 LYS 113 4.204 -1.446 18.840 845 HG3 LYS 113 HG3 LYS 113 4.505 -1.435 17.109 846 HD2 LYS 113 HD2 LYS 113 2.243 -0.684 17.597 847 HD3 LYS 113 HD3 LYS 113 2.234 -2.159 16.611 848 HE2 LYS 113 HE2 LYS 113 1.765 -3.542 18.507 849 HE3 LYS 113 HE3 LYS 113 2.032 -2.187 19.624 850 HZ1 LYS 113 HZ1 LYS 113 -0.338 -2.604 19.265 851 HZ2 LYS 113 HZ2 LYS 113 0.073 -1.105 18.683 852 HZ3 LYS 113 HZ3 LYS 113 -0.204 -2.342 17.656 853 H LEU 114 H LEU 114 5.904 -5.856 16.632 854 HA LEU 114 HA LEU 114 5.867 -7.638 18.893 855 HB2 LEU 114 HB2 LEU 114 5.991 -7.825 15.877 856 HB3 LEU 114 HB3 LEU 114 6.352 -9.270 16.813 857 HG LEU 114 HG LEU 114 3.796 -7.664 16.963 858 HD11 LEU 114 HD11 LEU 114 4.104 -8.777 14.773 859 HD12 LEU 114 HD12 LEU 114 4.376 -10.328 15.597 860 HD13 LEU 114 HD13 LEU 114 2.793 -9.530 15.697 861 HD21 LEU 114 HD21 LEU 114 4.188 -8.951 19.051 862 HD22 LEU 114 HD22 LEU 114 2.901 -9.714 18.116 863 HD23 LEU 114 HD23 LEU 114 4.536 -10.411 18.101 864 H VAL 115 H VAL 115 8.438 -6.625 16.661 865 HA VAL 115 HA VAL 115 10.435 -8.453 17.702 866 HB VAL 115 HB VAL 115 10.727 -5.804 16.251 867 HG11 VAL 115 HG11 VAL 115 12.871 -7.889 16.891 868 HG12 VAL 115 HG12 VAL 115 13.071 -6.515 15.784 869 HG13 VAL 115 HG13 VAL 115 12.816 -6.219 17.503 870 HG21 VAL 115 HG21 VAL 115 9.691 -7.631 14.917 871 HG22 VAL 115 HG22 VAL 115 11.302 -7.227 14.319 872 HG23 VAL 115 HG23 VAL 115 11.062 -8.688 15.302 873 H GLU 116 H GLU 116 10.063 -4.927 18.382 874 HA GLU 116 HA GLU 116 11.751 -4.903 20.553 875 HB2 GLU 116 HB2 GLU 116 10.252 -3.069 19.140 876 HB3 GLU 116 HB3 GLU 116 9.489 -2.967 20.697 877 HG2 GLU 116 HG2 GLU 116 12.492 -2.680 20.179 878 HG3 GLU 116 HG3 GLU 116 11.362 -1.337 20.327 879 H GLU 117 H GLU 117 8.442 -6.088 20.689 880 HA GLU 117 HA GLU 117 8.345 -5.971 23.642 881 HB2 GLU 117 HB2 GLU 117 6.541 -7.319 21.602 882 HB3 GLU 117 HB3 GLU 117 6.368 -7.510 23.346 883 HG2 GLU 117 HG2 GLU 117 6.572 -4.694 22.890 884 HG3 GLU 117 HG3 GLU 117 5.480 -5.324 21.663 885 H ALA 118 H ALA 118 9.616 -8.181 21.207 886 HA ALA 118 HA ALA 118 9.686 -10.463 23.002 887 HB1 ALA 118 HB1 ALA 118 11.143 -9.975 20.378 888 HB2 ALA 118 HB2 ALA 118 10.997 -11.524 21.239 889 HB3 ALA 118 HB3 ALA 118 9.554 -10.725 20.586 890 H GLN 119 H GLN 119 12.427 -8.367 21.781 891 HA GLN 119 HA GLN 119 14.212 -9.107 23.832 892 HB2 GLN 119 HB2 GLN 119 14.041 -6.683 21.990 893 HB3 GLN 119 HB3 GLN 119 15.382 -6.990 23.055 894 HG2 GLN 119 HG2 GLN 119 16.349 -8.100 21.384 895 HG3 GLN 119 HG3 GLN 119 15.227 -9.422 21.778 896 HE21 GLN 119 HE22 GLN 119 13.413 -9.768 20.440 897 HE22 GLN 119 HE21 GLN 119 12.914 -8.510 19.338 Start of MODEL 12 1 H SER 1 H SER 1 17.937 -5.514 14.986 2 HA SER 1 HA SER 1 16.516 -3.190 16.193 3 HB2 SER 1 HB2 SER 1 19.432 -4.026 16.303 4 HB3 SER 1 HB3 SER 1 18.711 -2.645 17.155 5 HG SER 1 HG SER 1 17.350 -4.072 18.254 6 H GLU 2 H GLU 2 18.543 -4.021 13.408 7 HA GLU 2 HA GLU 2 18.748 -1.234 12.492 8 HB2 GLU 2 HB2 GLU 2 20.396 -2.932 11.792 9 HB3 GLU 2 HB3 GLU 2 19.116 -3.866 10.996 10 HG2 GLU 2 HG2 GLU 2 18.678 -1.986 9.454 11 HG3 GLU 2 HG3 GLU 2 19.845 -0.989 10.316 12 H ALA 3 H ALA 3 16.726 -4.054 11.667 13 HA ALA 3 HA ALA 3 15.305 -2.778 9.569 14 HB1 ALA 3 HB1 ALA 3 14.584 -5.257 11.195 15 HB2 ALA 3 HB2 ALA 3 13.946 -4.831 9.593 16 HB3 ALA 3 HB3 ALA 3 15.666 -5.214 9.784 17 H LEU 4 H LEU 4 14.739 -2.284 12.935 18 HA LEU 4 HA LEU 4 11.870 -2.451 12.940 19 HB2 LEU 4 HB2 LEU 4 13.467 -2.706 14.909 20 HB3 LEU 4 HB3 LEU 4 13.725 -0.977 14.851 21 HG LEU 4 HG LEU 4 11.217 -0.688 15.261 22 HD11 LEU 4 HD11 LEU 4 11.502 -3.635 15.973 23 HD12 LEU 4 HD12 LEU 4 10.080 -2.614 16.298 24 HD13 LEU 4 HD13 LEU 4 10.536 -2.996 14.627 25 HD21 LEU 4 HD21 LEU 4 12.938 -0.391 17.004 26 HD22 LEU 4 HD22 LEU 4 11.462 -1.109 17.660 27 HD23 LEU 4 HD23 LEU 4 12.885 -2.131 17.364 28 H ALA 5 H ALA 5 14.028 0.305 12.075 29 HA ALA 5 HA ALA 5 11.801 2.209 12.126 30 HB1 ALA 5 HB1 ALA 5 14.683 2.408 11.169 31 HB2 ALA 5 HB2 ALA 5 13.511 3.742 11.253 32 HB3 ALA 5 HB3 ALA 5 14.051 2.951 12.744 33 H LYS 6 H LYS 6 13.019 -0.278 9.966 34 HA LYS 6 HA LYS 6 12.783 1.225 7.496 35 HB2 LYS 6 HB2 LYS 6 14.329 -0.700 7.931 36 HB3 LYS 6 HB3 LYS 6 12.936 -1.791 7.911 37 HG2 LYS 6 HG2 LYS 6 12.467 -1.269 5.590 38 HG3 LYS 6 HG3 LYS 6 13.650 0.053 5.598 39 HD2 LYS 6 HD2 LYS 6 15.467 -1.569 6.047 40 HD3 LYS 6 HD3 LYS 6 14.298 -2.906 5.969 41 HE2 LYS 6 HE2 LYS 6 13.775 -2.312 3.631 42 HE3 LYS 6 HE3 LYS 6 14.857 -0.916 3.723 43 HZ1 LYS 6 HZ1 LYS 6 15.867 -2.902 2.681 44 HZ2 LYS 6 HZ2 LYS 6 16.727 -2.389 3.978 45 HZ3 LYS 6 HZ3 LYS 6 15.782 -3.716 4.110 46 H LEU 7 H LEU 7 10.732 -1.138 9.186 47 HA LEU 7 HA LEU 7 8.636 -1.360 7.304 48 HB2 LEU 7 HB2 LEU 7 8.767 -1.531 10.322 49 HB3 LEU 7 HB3 LEU 7 7.239 -1.723 9.488 50 HG LEU 7 HG LEU 7 8.207 -3.854 10.103 51 HD11 LEU 7 HD11 LEU 7 6.786 -3.700 8.054 52 HD12 LEU 7 HD12 LEU 7 8.250 -3.516 7.065 53 HD13 LEU 7 HD13 LEU 7 7.969 -5.013 7.965 54 HD21 LEU 7 HD21 LEU 7 10.595 -3.352 9.945 55 HD22 LEU 7 HD22 LEU 7 10.156 -4.802 9.031 56 HD23 LEU 7 HD23 LEU 7 10.471 -3.291 8.166 57 H ILE 8 H ILE 8 8.978 1.143 9.885 58 HA ILE 8 HA ILE 8 6.539 2.489 9.041 59 HB ILE 8 HB ILE 8 8.815 3.479 10.775 60 HG12 ILE 8 HG12 ILE 8 7.661 1.530 11.729 61 HG13 ILE 8 HG13 ILE 8 7.374 2.986 12.664 62 HG21 ILE 8 HG21 ILE 8 6.085 4.696 10.163 63 HG22 ILE 8 HG22 ILE 8 7.078 5.157 11.568 64 HG23 ILE 8 HG23 ILE 8 7.687 5.424 9.935 65 HD11 ILE 8 HD11 ILE 8 5.093 3.171 11.656 66 HD12 ILE 8 HD12 ILE 8 5.390 1.664 10.751 67 HD13 ILE 8 HD13 ILE 8 5.336 1.652 12.519 68 H SER 9 H SER 9 9.884 2.677 7.989 69 HA SER 9 HA SER 9 9.609 5.279 6.657 70 HB2 SER 9 HB2 SER 9 11.828 3.207 6.453 71 HB3 SER 9 HB3 SER 9 11.887 4.905 5.949 72 HG SER 9 HG SER 9 11.757 3.810 8.558 73 H LEU 10 H LEU 10 9.151 1.933 5.850 74 HA LEU 10 HA LEU 10 9.126 2.062 3.008 75 HB2 LEU 10 HB2 LEU 10 8.214 0.220 5.178 76 HB3 LEU 10 HB3 LEU 10 7.408 0.015 3.643 77 HG LEU 10 HG LEU 10 10.437 0.183 3.724 78 HD11 LEU 10 HD11 LEU 10 8.748 -2.303 4.201 79 HD12 LEU 10 HD12 LEU 10 10.493 -2.272 3.858 80 HD13 LEU 10 HD13 LEU 10 9.879 -1.550 5.350 81 HD21 LEU 10 HD21 LEU 10 9.204 0.227 1.526 82 HD22 LEU 10 HD22 LEU 10 10.228 -1.204 1.707 83 HD23 LEU 10 HD23 LEU 10 8.476 -1.342 1.943 84 H GLN 11 H GLN 11 6.553 2.931 5.346 85 HA GLN 11 HA GLN 11 4.407 2.968 3.472 86 HB2 GLN 11 HB2 GLN 11 4.878 4.768 5.896 87 HB3 GLN 11 HB3 GLN 11 3.425 4.780 4.903 88 HG2 GLN 11 HG2 GLN 11 3.087 2.355 5.411 89 HG3 GLN 11 HG3 GLN 11 4.433 2.427 6.563 90 HE21 GLN 11 HE22 GLN 11 1.137 3.524 5.835 91 HE22 GLN 11 HE21 GLN 11 0.889 4.242 7.423 92 H ALA 12 H ALA 12 3.839 4.174 1.827 93 HA ALA 12 HA ALA 12 5.408 6.434 0.896 94 HB1 ALA 12 HB1 ALA 12 3.771 6.527 -0.873 95 HB2 ALA 12 HB2 ALA 12 4.110 4.810 -0.531 96 HB3 ALA 12 HB3 ALA 12 2.619 5.548 0.057 97 H THR 13 H THR 13 4.842 8.639 0.996 98 HA THR 13 HA THR 13 3.540 9.407 3.488 99 HB THR 13 HB THR 13 4.129 11.739 2.650 100 HG1 THR 13 HG1 THR 13 5.231 11.951 0.881 101 HG21 THR 13 HG21 THR 13 6.561 11.458 2.978 102 HG22 THR 13 HG22 THR 13 5.652 10.518 4.168 103 HG23 THR 13 HG23 THR 13 6.401 9.699 2.779 104 H GLU 14 H GLU 14 2.467 9.267 0.209 105 HA GLU 14 HA GLU 14 0.013 10.815 0.866 106 HB2 GLU 14 HB2 GLU 14 0.199 11.931 -1.303 107 HB3 GLU 14 HB3 GLU 14 1.525 12.334 -0.224 108 HG2 GLU 14 HG2 GLU 14 3.073 10.949 -1.467 109 HG3 GLU 14 HG3 GLU 14 1.747 10.199 -2.369 110 H ALA 15 H ALA 15 -1.775 10.637 -0.594 111 HA ALA 15 HA ALA 15 -1.995 8.204 -2.241 112 HB1 ALA 15 HB1 ALA 15 -3.911 8.844 0.049 113 HB2 ALA 15 HB2 ALA 15 -3.976 7.440 -1.033 114 HB3 ALA 15 HB3 ALA 15 -2.648 7.612 0.130 115 H THR 16 H THR 16 -4.101 8.164 -3.322 116 HA THR 16 HA THR 16 -5.351 10.836 -3.920 117 HB THR 16 HB THR 16 -4.912 8.665 -5.988 118 HG1 THR 16 HG1 THR 16 -2.976 9.441 -5.395 119 HG21 THR 16 HG21 THR 16 -6.760 10.191 -6.539 120 HG22 THR 16 HG22 THR 16 -5.732 11.598 -6.203 121 HG23 THR 16 HG23 THR 16 -5.365 10.523 -7.574 122 H ILE 17 H ILE 17 -7.339 10.750 -3.001 123 HA ILE 17 HA ILE 17 -8.925 8.252 -2.889 124 HB ILE 17 HB ILE 17 -9.519 11.055 -1.847 125 HG12 ILE 17 HG12 ILE 17 -8.580 8.575 -0.391 126 HG13 ILE 17 HG13 ILE 17 -7.610 10.014 -0.692 127 HG21 ILE 17 HG21 ILE 17 -10.981 8.413 -1.344 128 HG22 ILE 17 HG22 ILE 17 -11.381 9.983 -0.612 129 HG23 ILE 17 HG23 ILE 17 -11.601 9.757 -2.331 130 HD11 ILE 17 HD11 ILE 17 -10.004 9.770 1.154 131 HD12 ILE 17 HD12 ILE 17 -8.325 10.068 1.586 132 HD13 ILE 17 HD13 ILE 17 -9.240 11.322 0.719 133 H VAL 18 H VAL 18 -10.561 7.741 -4.338 134 HA VAL 18 HA VAL 18 -11.347 9.856 -6.293 135 HB VAL 18 HB VAL 18 -11.344 8.272 -8.077 136 HG11 VAL 18 HG11 VAL 18 -8.632 8.155 -6.701 137 HG12 VAL 18 HG12 VAL 18 -8.983 8.154 -8.444 138 HG13 VAL 18 HG13 VAL 18 -9.271 9.609 -7.479 139 HG21 VAL 18 HG21 VAL 18 -11.707 6.127 -6.923 140 HG22 VAL 18 HG22 VAL 18 -10.241 6.074 -7.902 141 HG23 VAL 18 HG23 VAL 18 -10.114 6.259 -6.143 142 H THR 19 H THR 19 -13.349 10.167 -6.678 143 HA THR 19 HA THR 19 -15.450 8.308 -5.592 144 HB THR 19 HB THR 19 -15.374 11.331 -5.251 145 HG1 THR 19 HG1 THR 19 -13.789 10.677 -4.013 146 HG21 THR 19 HG21 THR 19 -17.618 10.544 -4.989 147 HG22 THR 19 HG22 THR 19 -17.094 9.135 -4.024 148 HG23 THR 19 HG23 THR 19 -16.968 10.782 -3.381 149 H LEU 20 H LEU 20 -17.561 8.428 -6.479 150 HA LEU 20 HA LEU 20 -17.895 10.141 -8.910 151 HB2 LEU 20 HB2 LEU 20 -19.863 7.986 -8.244 152 HB3 LEU 20 HB3 LEU 20 -19.482 8.741 -9.776 153 HG LEU 20 HG LEU 20 -17.731 6.697 -8.375 154 HD11 LEU 20 HD11 LEU 20 -19.426 6.453 -10.895 155 HD12 LEU 20 HD12 LEU 20 -18.414 5.190 -10.164 156 HD13 LEU 20 HD13 LEU 20 -19.843 5.775 -9.300 157 HD21 LEU 20 HD21 LEU 20 -16.384 8.245 -9.774 158 HD22 LEU 20 HD22 LEU 20 -16.475 6.643 -10.508 159 HD23 LEU 20 HD23 LEU 20 -17.486 7.958 -11.142 160 H ASP 21 H ASP 21 -19.286 11.772 -8.792 161 HA ASP 21 HA ASP 21 -20.939 12.155 -6.337 162 HB2 ASP 21 HB2 ASP 21 -18.520 13.476 -7.207 163 HB3 ASP 21 HB3 ASP 21 -19.827 14.597 -7.452 164 H SER 22 H SER 22 -22.269 13.959 -6.514 165 HA SER 22 HA SER 22 -23.987 15.329 -7.298 166 HB2 SER 22 HB2 SER 22 -22.460 15.936 -9.176 167 HB3 SER 22 HB3 SER 22 -23.220 14.679 -10.136 168 HG SER 22 HG SER 22 -24.063 16.879 -10.295 169 H ASP 23 H ASP 23 -23.745 12.626 -9.545 170 HA ASP 23 HA ASP 23 -25.912 11.020 -8.610 171 HB2 ASP 23 HB2 ASP 23 -27.275 12.764 -9.820 172 HB3 ASP 23 HB3 ASP 23 -26.372 12.434 -11.293 173 H ASN 24 H ASN 24 -23.321 10.623 -8.830 174 HA ASN 24 HA ASN 24 -21.523 9.616 -9.624 175 HB2 ASN 24 HB2 ASN 24 -21.574 7.514 -10.667 176 HB3 ASN 24 HB3 ASN 24 -22.994 7.580 -9.641 177 HD21 ASN 24 HD22 ASN 24 -22.103 7.889 -13.115 178 HD22 ASN 24 HD21 ASN 24 -23.682 7.188 -13.481 179 H ILE 25 H ILE 25 -23.321 11.420 -11.909 180 HA ILE 25 HA ILE 25 -21.659 11.306 -14.158 181 HB ILE 25 HB ILE 25 -22.671 13.558 -14.648 182 HG12 ILE 25 HG12 ILE 25 -24.064 13.244 -11.960 183 HG13 ILE 25 HG13 ILE 25 -22.830 14.441 -12.370 184 HG21 ILE 25 HG21 ILE 25 -24.679 11.464 -13.732 185 HG22 ILE 25 HG22 ILE 25 -24.886 12.651 -15.036 186 HG23 ILE 25 HG23 ILE 25 -23.720 11.342 -15.221 187 HD11 ILE 25 HD11 ILE 25 -24.367 15.364 -14.126 188 HD12 ILE 25 HD12 ILE 25 -25.631 14.253 -13.538 189 HD13 ILE 25 HD13 ILE 25 -24.980 15.502 -12.466 190 H LEU 26 H LEU 26 -20.865 12.784 -11.126 191 HA LEU 26 HA LEU 26 -18.854 14.604 -12.391 192 HB2 LEU 26 HB2 LEU 26 -20.530 15.762 -11.138 193 HB3 LEU 26 HB3 LEU 26 -20.409 14.644 -9.796 194 HG LEU 26 HG LEU 26 -18.228 15.501 -9.150 195 HD11 LEU 26 HD11 LEU 26 -18.612 17.392 -11.487 196 HD12 LEU 26 HD12 LEU 26 -17.349 17.528 -10.237 197 HD13 LEU 26 HD13 LEU 26 -17.343 16.140 -11.338 198 HD21 LEU 26 HD21 LEU 26 -20.313 16.623 -8.323 199 HD22 LEU 26 HD22 LEU 26 -18.940 17.729 -8.435 200 HD23 LEU 26 HD23 LEU 26 -20.214 17.762 -9.677 201 H LEU 27 H LEU 27 -17.048 13.287 -12.679 202 HA LEU 27 HA LEU 27 -16.206 11.473 -10.501 203 HB2 LEU 27 HB2 LEU 27 -15.201 12.082 -13.284 204 HB3 LEU 27 HB3 LEU 27 -14.151 11.304 -12.105 205 HG LEU 27 HG LEU 27 -15.720 9.465 -11.817 206 HD11 LEU 27 HD11 LEU 27 -17.585 9.138 -13.441 207 HD12 LEU 27 HD12 LEU 27 -17.887 10.476 -12.340 208 HD13 LEU 27 HD13 LEU 27 -17.363 10.808 -14.011 209 HD21 LEU 27 HD21 LEU 27 -13.934 9.346 -13.518 210 HD22 LEU 27 HD22 LEU 27 -15.358 8.410 -13.990 211 HD23 LEU 27 HD23 LEU 27 -15.057 9.993 -14.738 212 H SER 28 H SER 28 -14.964 12.057 -8.834 213 HA SER 28 HA SER 28 -13.433 14.610 -8.950 214 HB2 SER 28 HB2 SER 28 -15.653 14.783 -7.776 215 HB3 SER 28 HB3 SER 28 -15.050 13.616 -6.584 216 HG SER 28 HG SER 28 -13.864 15.114 -5.735 217 H GLU 29 H GLU 29 -11.494 14.686 -7.774 218 HA GLU 29 HA GLU 29 -10.413 12.124 -6.702 219 HB2 GLU 29 HB2 GLU 29 -9.139 13.752 -8.931 220 HB3 GLU 29 HB3 GLU 29 -8.433 12.341 -8.146 221 HG2 GLU 29 HG2 GLU 29 -10.177 10.887 -9.089 222 HG3 GLU 29 HG3 GLU 29 -11.022 12.272 -9.768 223 H GLU 30 H GLU 30 -9.212 12.538 -4.851 224 HA GLU 30 HA GLU 30 -8.195 15.332 -4.404 225 HB2 GLU 30 HB2 GLU 30 -9.129 13.609 -2.111 226 HB3 GLU 30 HB3 GLU 30 -8.861 15.351 -2.192 227 HG2 GLU 30 HG2 GLU 30 -10.860 15.367 -3.861 228 HG3 GLU 30 HG3 GLU 30 -11.150 13.712 -3.291 229 H GLN 31 H GLN 31 -6.085 15.548 -3.632 230 HA GLN 31 HA GLN 31 -4.586 12.997 -3.205 231 HB2 GLN 31 HB2 GLN 31 -3.776 15.618 -4.419 232 HB3 GLN 31 HB3 GLN 31 -2.591 14.706 -3.492 233 HG2 GLN 31 HG2 GLN 31 -3.964 12.883 -5.307 234 HG3 GLN 31 HG3 GLN 31 -3.368 14.278 -6.197 235 HE21 GLN 31 HE21 GLN 31 -2.184 12.013 -3.593 236 HE22 GLN 31 HE22 GLN 31 -0.514 12.059 -4.198 237 H VAL 32 H VAL 32 -3.903 12.491 -1.290 238 HA VAL 32 HA VAL 32 -4.065 14.494 0.928 239 HB VAL 32 HB VAL 32 -5.191 12.884 2.295 240 HG11 VAL 32 HG11 VAL 32 -7.368 12.930 1.308 241 HG12 VAL 32 HG12 VAL 32 -6.515 14.401 0.821 242 HG13 VAL 32 HG13 VAL 32 -6.706 13.065 -0.334 243 HG21 VAL 32 HG21 VAL 32 -4.338 10.761 1.392 244 HG22 VAL 32 HG22 VAL 32 -6.099 10.773 1.438 245 HG23 VAL 32 HG23 VAL 32 -5.266 11.014 -0.110 246 H ASP 33 H ASP 33 -3.130 13.789 2.872 247 HA ASP 33 HA ASP 33 -0.515 12.417 2.645 248 HB2 ASP 33 HB2 ASP 33 -0.975 14.525 4.006 249 HB3 ASP 33 HB3 ASP 33 -1.854 13.515 5.142 250 H VAL 34 H VAL 34 0.031 10.469 3.823 251 HA VAL 34 HA VAL 34 -1.934 8.399 3.947 252 HB VAL 34 HB VAL 34 0.402 7.953 3.600 253 HG11 VAL 34 HG11 VAL 34 0.873 8.708 6.515 254 HG12 VAL 34 HG12 VAL 34 2.055 7.974 5.410 255 HG13 VAL 34 HG13 VAL 34 1.451 9.603 5.099 256 HG21 VAL 34 HG21 VAL 34 -0.391 6.600 6.203 257 HG22 VAL 34 HG22 VAL 34 -1.096 6.191 4.628 258 HG23 VAL 34 HG23 VAL 34 0.644 5.977 4.906 259 H GLU 35 H GLU 35 -1.057 10.793 6.341 260 HA GLU 35 HA GLU 35 -2.347 9.547 8.607 261 HB2 GLU 35 HB2 GLU 35 -0.595 11.321 8.586 262 HB3 GLU 35 HB3 GLU 35 -1.803 12.488 8.042 263 HG2 GLU 35 HG2 GLU 35 -2.941 12.425 10.124 264 HG3 GLU 35 HG3 GLU 35 -2.243 10.863 10.562 265 H LEU 36 H LEU 36 -3.716 11.052 5.800 266 HA LEU 36 HA LEU 36 -6.269 11.737 7.187 267 HB2 LEU 36 HB2 LEU 36 -5.181 12.641 4.509 268 HB3 LEU 36 HB3 LEU 36 -6.579 13.310 5.342 269 HG LEU 36 HG LEU 36 -3.692 13.493 6.316 270 HD11 LEU 36 HD11 LEU 36 -5.478 15.611 5.075 271 HD12 LEU 36 HD12 LEU 36 -3.823 15.844 5.682 272 HD13 LEU 36 HD13 LEU 36 -4.114 14.817 4.272 273 HD21 LEU 36 HD21 LEU 36 -6.198 14.832 7.384 274 HD22 LEU 36 HD22 LEU 36 -5.252 13.560 8.200 275 HD23 LEU 36 HD23 LEU 36 -4.527 15.141 7.911 276 H VAL 37 H VAL 37 -5.202 9.200 5.367 277 HA VAL 37 HA VAL 37 -7.824 8.693 4.043 278 HB VAL 37 HB VAL 37 -6.063 8.400 2.532 279 HG11 VAL 37 HG11 VAL 37 -4.670 6.581 4.550 280 HG12 VAL 37 HG12 VAL 37 -4.162 6.840 2.867 281 HG13 VAL 37 HG13 VAL 37 -4.129 8.187 4.001 282 HG21 VAL 37 HG21 VAL 37 -7.775 6.644 2.426 283 HG22 VAL 37 HG22 VAL 37 -6.195 6.077 1.865 284 HG23 VAL 37 HG23 VAL 37 -6.783 5.590 3.462 285 H GLN 38 H GLN 38 -9.043 6.919 4.477 286 HA GLN 38 HA GLN 38 -8.667 5.542 7.103 287 HB2 GLN 38 HB2 GLN 38 -11.089 6.868 5.877 288 HB3 GLN 38 HB3 GLN 38 -11.245 5.669 7.147 289 HG2 GLN 38 HG2 GLN 38 -9.856 6.994 8.672 290 HG3 GLN 38 HG3 GLN 38 -9.616 8.231 7.429 291 HE21 GLN 38 HE22 GLN 38 -11.779 8.998 6.501 292 HE22 GLN 38 HE21 GLN 38 -13.089 9.114 7.663 293 H ARG 39 H ARG 39 -10.067 3.683 7.414 294 HA ARG 39 HA ARG 39 -9.297 1.717 5.473 295 HB2 ARG 39 HB2 ARG 39 -9.828 0.133 7.150 296 HB3 ARG 39 HB3 ARG 39 -9.207 1.555 7.981 297 HG2 ARG 39 HG2 ARG 39 -11.803 2.161 8.134 298 HG3 ARG 39 HG3 ARG 39 -12.006 0.432 7.829 299 HD2 ARG 39 HD2 ARG 39 -10.761 -0.156 9.809 300 HD3 ARG 39 HD3 ARG 39 -10.244 1.522 10.049 301 HE ARG 39 HE ARG 39 -12.950 1.775 10.076 302 HH11 ARG 39 HH11 ARG 39 -10.788 -0.124 12.085 303 HH12 ARG 39 HH12 ARG 39 -12.019 -0.354 13.322 304 HH21 ARG 39 HH21 ARG 39 -14.400 1.503 11.639 305 HH22 ARG 39 HH22 ARG 39 -14.000 0.630 13.099 306 H GLY 40 H GLY 40 -11.640 3.517 4.731 307 HA2 GLY 40 HA2 GLY 40 -13.100 1.415 3.247 308 HA3 GLY 40 HA3 GLY 40 -14.024 2.650 4.098 309 H ASP 41 H ASP 41 -11.025 3.912 2.856 310 HA ASP 41 HA ASP 41 -12.455 5.385 0.762 311 HB2 ASP 41 HB2 ASP 41 -9.578 5.417 1.724 312 HB3 ASP 41 HB3 ASP 41 -10.182 6.424 0.404 313 H ILE 42 H ILE 42 -11.941 5.436 -1.452 314 HA ILE 42 HA ILE 42 -10.701 2.974 -2.598 315 HB ILE 42 HB ILE 42 -12.505 4.990 -3.945 316 HG12 ILE 42 HG12 ILE 42 -13.871 3.845 -2.336 317 HG13 ILE 42 HG13 ILE 42 -14.208 3.231 -3.941 318 HG21 ILE 42 HG21 ILE 42 -11.378 2.305 -4.861 319 HG22 ILE 42 HG22 ILE 42 -12.608 3.251 -5.729 320 HG23 ILE 42 HG23 ILE 42 -10.982 3.907 -5.513 321 HD11 ILE 42 HD11 ILE 42 -12.548 1.795 -1.836 322 HD12 ILE 42 HD12 ILE 42 -14.211 1.425 -2.300 323 HD13 ILE 42 HD13 ILE 42 -12.906 1.185 -3.474 324 H ILE 43 H ILE 43 -8.590 3.262 -3.187 325 HA ILE 43 HA ILE 43 -7.654 5.972 -3.816 326 HB ILE 43 HB ILE 43 -6.166 3.522 -2.812 327 HG12 ILE 43 HG12 ILE 43 -7.734 4.145 -1.079 328 HG13 ILE 43 HG13 ILE 43 -6.101 4.546 -0.597 329 HG21 ILE 43 HG21 ILE 43 -5.302 6.429 -3.043 330 HG22 ILE 43 HG22 ILE 43 -4.402 5.178 -2.153 331 HG23 ILE 43 HG23 ILE 43 -4.621 5.033 -3.896 332 HD11 ILE 43 HD11 ILE 43 -8.154 6.542 -1.642 333 HD12 ILE 43 HD12 ILE 43 -7.707 6.294 0.043 334 HD13 ILE 43 HD13 ILE 43 -6.511 6.942 -1.089 335 H LYS 44 H LYS 44 -6.985 6.470 -5.841 336 HA LYS 44 HA LYS 44 -6.120 4.418 -7.770 337 HB2 LYS 44 HB2 LYS 44 -7.276 6.246 -8.661 338 HB3 LYS 44 HB3 LYS 44 -6.180 7.426 -7.909 339 HG2 LYS 44 HG2 LYS 44 -4.364 6.832 -9.303 340 HG3 LYS 44 HG3 LYS 44 -5.091 5.300 -9.798 341 HD2 LYS 44 HD2 LYS 44 -6.519 7.848 -10.491 342 HD3 LYS 44 HD3 LYS 44 -5.039 7.408 -11.388 343 HE2 LYS 44 HE2 LYS 44 -6.065 5.133 -11.800 344 HE3 LYS 44 HE3 LYS 44 -7.572 5.762 -11.108 345 HZ1 LYS 44 HZ1 LYS 44 -6.201 6.716 -13.561 346 HZ2 LYS 44 HZ2 LYS 44 -7.641 5.949 -13.465 347 HZ3 LYS 44 HZ3 LYS 44 -7.502 7.494 -12.885 348 H VAL 45 H VAL 45 -4.118 3.558 -7.912 349 HA VAL 45 HA VAL 45 -1.807 5.080 -6.786 350 HB VAL 45 HB VAL 45 -2.320 2.688 -6.065 351 HG11 VAL 45 HG11 VAL 45 -0.917 1.982 -8.680 352 HG12 VAL 45 HG12 VAL 45 -1.445 0.877 -7.405 353 HG13 VAL 45 HG13 VAL 45 -2.648 1.764 -8.363 354 HG21 VAL 45 HG21 VAL 45 0.472 3.350 -7.123 355 HG22 VAL 45 HG22 VAL 45 -0.204 3.881 -5.565 356 HG23 VAL 45 HG23 VAL 45 0.077 2.161 -5.869 357 H VAL 46 H VAL 46 -0.239 5.913 -8.045 358 HA VAL 46 HA VAL 46 -0.648 5.905 -10.913 359 HB VAL 46 HB VAL 46 1.048 7.644 -10.974 360 HG11 VAL 46 HG11 VAL 46 -0.881 8.098 -8.661 361 HG12 VAL 46 HG12 VAL 46 -0.155 9.314 -9.721 362 HG13 VAL 46 HG13 VAL 46 -1.317 8.166 -10.388 363 HG21 VAL 46 HG21 VAL 46 2.622 6.874 -9.257 364 HG22 VAL 46 HG22 VAL 46 2.075 8.518 -8.917 365 HG23 VAL 46 HG23 VAL 46 1.415 7.165 -7.987 366 HA PRO 47 HA PRO 47 2.691 3.223 -12.263 367 HB2 PRO 47 HB2 PRO 47 3.503 5.413 -14.149 368 HB3 PRO 47 HB3 PRO 47 3.187 3.697 -14.493 369 HG2 PRO 47 HG2 PRO 47 1.353 5.588 -15.165 370 HG3 PRO 47 HG3 PRO 47 0.792 4.066 -14.397 371 HD2 PRO 47 HD2 PRO 47 1.341 6.727 -13.060 372 HD3 PRO 47 HD3 PRO 47 -0.113 5.690 -12.944 373 H GLY 48 H GLY 48 4.808 2.934 -11.593 374 HA2 GLY 48 HA2 GLY 48 6.809 3.300 -10.587 375 HA3 GLY 48 HA3 GLY 48 6.717 4.995 -11.036 376 H GLY 49 H GLY 49 3.980 4.510 -9.253 377 HA2 GLY 49 HA2 GLY 49 5.031 5.886 -6.919 378 HA3 GLY 49 HA3 GLY 49 3.359 5.448 -7.238 379 H LYS 50 H LYS 50 3.938 5.264 -4.781 380 HA LYS 50 HA LYS 50 4.523 2.400 -4.102 381 HB2 LYS 50 HB2 LYS 50 5.216 4.862 -2.464 382 HB3 LYS 50 HB3 LYS 50 5.566 3.172 -2.044 383 HG2 LYS 50 HG2 LYS 50 7.008 3.065 -4.117 384 HG3 LYS 50 HG3 LYS 50 6.734 4.803 -4.324 385 HD2 LYS 50 HD2 LYS 50 7.646 5.134 -1.953 386 HD3 LYS 50 HD3 LYS 50 8.059 3.415 -1.958 387 HE2 LYS 50 HE2 LYS 50 10.053 4.443 -2.585 388 HE3 LYS 50 HE3 LYS 50 9.385 3.891 -4.124 389 HZ1 LYS 50 HZ1 LYS 50 8.621 6.154 -4.530 390 HZ2 LYS 50 HZ2 LYS 50 9.204 6.642 -3.027 391 HZ3 LYS 50 HZ3 LYS 50 10.219 6.163 -4.216 392 H PHE 51 H PHE 51 3.419 1.443 -2.465 393 HA PHE 51 HA PHE 51 0.720 2.458 -2.038 394 HB2 PHE 51 HB2 PHE 51 2.069 -0.110 -1.234 395 HB3 PHE 51 HB3 PHE 51 0.394 0.270 -0.847 396 HD1 PHE 51 HD2 PHE 51 -1.294 0.633 -2.691 397 HD2 PHE 51 HD1 PHE 51 2.662 -0.866 -3.458 398 HE1 PHE 51 HE2 PHE 51 -2.008 -0.147 -4.934 399 HE2 PHE 51 HE1 PHE 51 1.951 -1.630 -5.705 400 HZ PHE 51 HZ PHE 51 -0.388 -1.273 -6.452 401 HA PRO 52 HA PRO 52 1.776 4.085 2.079 402 HB2 PRO 52 HB2 PRO 52 -0.409 5.633 2.497 403 HB3 PRO 52 HB3 PRO 52 0.797 6.036 1.253 404 HG2 PRO 52 HG2 PRO 52 -1.879 4.692 0.896 405 HG3 PRO 52 HG3 PRO 52 -1.125 5.978 -0.094 406 HD2 PRO 52 HD2 PRO 52 -1.062 3.284 -0.742 407 HD3 PRO 52 HD3 PRO 52 0.158 4.482 -1.265 408 H VAL 53 H VAL 53 -0.872 1.974 1.446 409 HA VAL 53 HA VAL 53 -1.270 1.091 4.154 410 HB VAL 53 HB VAL 53 -3.704 1.323 4.190 411 HG11 VAL 53 HG11 VAL 53 -2.364 4.048 4.080 412 HG12 VAL 53 HG12 VAL 53 -3.830 3.596 4.972 413 HG13 VAL 53 HG13 VAL 53 -2.269 2.913 5.446 414 HG21 VAL 53 HG21 VAL 53 -4.843 3.001 2.806 415 HG22 VAL 53 HG22 VAL 53 -3.358 3.262 1.875 416 HG23 VAL 53 HG23 VAL 53 -4.180 1.687 1.815 417 H ASP 54 H ASP 54 -2.979 -0.815 4.026 418 HA ASP 54 HA ASP 54 -2.429 -2.296 1.504 419 HB2 ASP 54 HB2 ASP 54 -2.660 -4.317 2.711 420 HB3 ASP 54 HB3 ASP 54 -1.527 -3.267 3.556 421 H GLY 55 H GLY 55 -3.986 -3.732 0.596 422 HA2 GLY 55 HA2 GLY 55 -6.765 -3.719 1.208 423 HA3 GLY 55 HA3 GLY 55 -6.463 -2.395 0.091 424 H ARG 56 H ARG 56 -8.069 -3.693 -1.012 425 HA ARG 56 HA ARG 56 -6.956 -5.874 -2.754 426 HB2 ARG 56 HB2 ARG 56 -8.731 -6.646 -1.381 427 HB3 ARG 56 HB3 ARG 56 -9.749 -5.276 -1.782 428 HG2 ARG 56 HG2 ARG 56 -10.043 -6.111 -4.080 429 HG3 ARG 56 HG3 ARG 56 -8.899 -7.429 -3.766 430 HD2 ARG 56 HD2 ARG 56 -11.205 -8.253 -3.603 431 HD3 ARG 56 HD3 ARG 56 -10.373 -8.366 -2.058 432 HE ARG 56 HE ARG 56 -11.744 -6.716 -1.135 433 HH11 ARG 56 HH11 ARG 56 -12.788 -7.142 -4.528 434 HH12 ARG 56 HH12 ARG 56 -14.069 -5.962 -4.262 435 HH21 ARG 56 HH21 ARG 56 -13.339 -5.192 -1.086 436 HH22 ARG 56 HH22 ARG 56 -14.376 -4.991 -2.512 437 H VAL 57 H VAL 57 -7.145 -5.833 -4.932 438 HA VAL 57 HA VAL 57 -7.315 -3.132 -6.176 439 HB VAL 57 HB VAL 57 -6.096 -5.713 -7.255 440 HG11 VAL 57 HG11 VAL 57 -5.854 -2.817 -8.176 441 HG12 VAL 57 HG12 VAL 57 -4.961 -4.202 -8.854 442 HG13 VAL 57 HG13 VAL 57 -6.704 -4.124 -9.031 443 HG21 VAL 57 HG21 VAL 57 -4.790 -5.046 -5.307 444 HG22 VAL 57 HG22 VAL 57 -3.890 -4.701 -6.786 445 HG23 VAL 57 HG23 VAL 57 -4.685 -3.380 -5.909 446 H ILE 58 H ILE 58 -8.996 -2.687 -7.511 447 HA ILE 58 HA ILE 58 -10.447 -4.923 -8.882 448 HB ILE 58 HB ILE 58 -12.619 -3.659 -8.188 449 HG12 ILE 58 HG12 ILE 58 -10.861 -2.822 -5.845 450 HG13 ILE 58 HG13 ILE 58 -11.295 -1.714 -7.161 451 HG21 ILE 58 HG21 ILE 58 -11.167 -5.239 -6.046 452 HG22 ILE 58 HG22 ILE 58 -12.916 -5.083 -6.304 453 HG23 ILE 58 HG23 ILE 58 -11.935 -5.948 -7.482 454 HD11 ILE 58 HD11 ILE 58 -13.238 -3.048 -5.235 455 HD12 ILE 58 HD12 ILE 58 -12.775 -1.339 -5.286 456 HD13 ILE 58 HD13 ILE 58 -13.704 -2.037 -6.628 457 H GLU 59 H GLU 59 -8.582 -2.827 -9.829 458 HA GLU 59 HA GLU 59 -9.958 -2.489 -12.330 459 HB2 GLU 59 HB2 GLU 59 -10.722 -0.448 -10.896 460 HB3 GLU 59 HB3 GLU 59 -9.033 0.040 -10.910 461 HG2 GLU 59 HG2 GLU 59 -10.331 1.248 -12.566 462 HG3 GLU 59 HG3 GLU 59 -9.072 0.280 -13.333 463 H GLY 60 H GLY 60 -8.388 -2.758 -13.878 464 HA2 GLY 60 HA2 GLY 60 -6.493 -2.093 -15.071 465 HA3 GLY 60 HA3 GLY 60 -5.848 -1.304 -13.643 466 H HIS 61 H HIS 61 -3.974 -2.283 -14.737 467 HA HIS 61 HA HIS 61 -3.264 -4.942 -13.666 468 HB2 HIS 61 HB2 HIS 61 -2.738 -5.960 -15.764 469 HB3 HIS 61 HB3 HIS 61 -4.427 -5.487 -15.741 470 HD1 HIS 61 HD1 HIS 61 -1.364 -5.161 -17.790 471 HD2 HIS 61 HD2 HIS 61 -5.036 -3.185 -17.299 472 HE1 HIS 61 HE1 HIS 61 -1.693 -3.747 -19.886 473 H SER 62 H SER 62 -1.408 -4.698 -12.727 474 HA SER 62 HA SER 62 0.862 -3.372 -14.098 475 HB2 SER 62 HB2 SER 62 -0.496 -1.802 -12.391 476 HB3 SER 62 HB3 SER 62 0.536 -2.591 -11.206 477 HG SER 62 HG SER 62 1.295 -0.634 -12.343 478 H MET 63 H MET 63 2.936 -3.709 -12.900 479 HA MET 63 HA MET 63 2.931 -6.270 -11.359 480 HB2 MET 63 HB2 MET 63 4.109 -6.390 -13.496 481 HB3 MET 63 HB3 MET 63 5.174 -5.061 -13.007 482 HG2 MET 63 HG2 MET 63 6.154 -6.314 -11.301 483 HG3 MET 63 HG3 MET 63 4.880 -7.531 -11.274 484 HE1 MET 63 HE1 MET 63 4.851 -9.714 -12.552 485 HE2 MET 63 HE2 MET 63 4.367 -8.723 -13.950 486 HE3 MET 63 HE3 MET 63 5.645 -9.947 -14.122 487 H VAL 64 H VAL 64 3.896 -6.346 -9.424 488 HA VAL 64 HA VAL 64 4.735 -3.776 -8.166 489 HB VAL 64 HB VAL 64 2.784 -5.845 -7.093 490 HG11 VAL 64 HG11 VAL 64 3.815 -3.260 -5.869 491 HG12 VAL 64 HG12 VAL 64 2.435 -4.196 -5.248 492 HG13 VAL 64 HG13 VAL 64 4.048 -4.906 -5.230 493 HG21 VAL 64 HG21 VAL 64 1.719 -4.397 -8.773 494 HG22 VAL 64 HG22 VAL 64 1.169 -3.917 -7.164 495 HG23 VAL 64 HG23 VAL 64 2.397 -2.957 -8.002 496 H ASP 65 H ASP 65 6.356 -3.774 -6.751 497 HA ASP 65 HA ASP 65 7.839 -6.317 -6.281 498 HB2 ASP 65 HB2 ASP 65 8.911 -4.400 -7.472 499 HB3 ASP 65 HB3 ASP 65 8.745 -3.435 -6.003 500 H GLU 66 H GLU 66 7.959 -7.199 -4.314 501 HA GLU 66 HA GLU 66 7.013 -5.700 -1.896 502 HB2 GLU 66 HB2 GLU 66 6.574 -8.629 -2.263 503 HB3 GLU 66 HB3 GLU 66 5.635 -7.440 -1.332 504 HG2 GLU 66 HG2 GLU 66 4.792 -6.610 -3.618 505 HG3 GLU 66 HG3 GLU 66 5.540 -8.052 -4.303 506 H SER 67 H SER 67 9.829 -6.558 -2.760 507 HA SER 67 HA SER 67 10.917 -8.726 -1.662 508 HB2 SER 67 HB2 SER 67 13.068 -7.590 -1.685 509 HB3 SER 67 HB3 SER 67 12.082 -7.138 -3.087 510 HG SER 67 HG SER 67 13.172 -5.392 -1.966 511 H LEU 68 H LEU 68 10.327 -5.945 0.482 512 HA LEU 68 HA LEU 68 11.677 -7.358 2.722 513 HB2 LEU 68 HB2 LEU 68 12.069 -4.966 2.204 514 HB3 LEU 68 HB3 LEU 68 10.389 -4.605 2.536 515 HG LEU 68 HG LEU 68 11.970 -3.929 4.290 516 HD11 LEU 68 HD11 LEU 68 10.725 -4.516 6.184 517 HD12 LEU 68 HD12 LEU 68 9.559 -4.537 4.849 518 HD13 LEU 68 HD13 LEU 68 10.198 -6.055 5.516 519 HD21 LEU 68 HD21 LEU 68 13.571 -5.806 4.104 520 HD22 LEU 68 HD22 LEU 68 13.070 -5.448 5.769 521 HD23 LEU 68 HD23 LEU 68 12.393 -6.856 4.923 522 H ILE 69 H ILE 69 8.416 -6.339 1.706 523 HA ILE 69 HA ILE 69 7.168 -6.767 4.247 524 HB ILE 69 HB ILE 69 5.844 -6.608 1.513 525 HG12 ILE 69 HG12 ILE 69 7.299 -4.611 1.895 526 HG13 ILE 69 HG13 ILE 69 5.598 -4.274 1.726 527 HG21 ILE 69 HG21 ILE 69 4.819 -6.288 4.366 528 HG22 ILE 69 HG22 ILE 69 3.933 -5.694 2.956 529 HG23 ILE 69 HG23 ILE 69 4.264 -7.423 3.122 530 HD11 ILE 69 HD11 ILE 69 7.102 -4.315 4.368 531 HD12 ILE 69 HD12 ILE 69 6.540 -2.885 3.461 532 HD13 ILE 69 HD13 ILE 69 5.362 -3.994 4.164 533 H THR 70 H THR 70 6.551 -8.602 1.190 534 HA THR 70 HA THR 70 5.717 -10.980 2.736 535 HB THR 70 HB THR 70 5.041 -11.839 0.504 536 HG1 THR 70 HG1 THR 70 5.087 -10.055 -1.141 537 HG21 THR 70 HG21 THR 70 4.012 -9.003 0.979 538 HG22 THR 70 HG22 THR 70 3.186 -10.324 0.133 539 HG23 THR 70 HG23 THR 70 3.462 -10.440 1.876 540 H GLY 71 H GLY 71 8.556 -9.814 1.268 541 HA2 GLY 71 HA2 GLY 71 10.690 -10.772 1.541 542 HA3 GLY 71 HA3 GLY 71 9.956 -12.326 1.911 543 H GLU 72 H GLU 72 8.477 -11.320 -0.841 544 HA GLU 72 HA GLU 72 9.355 -13.427 -2.374 545 HB2 GLU 72 HB2 GLU 72 8.207 -10.746 -3.270 546 HB3 GLU 72 HB3 GLU 72 8.464 -12.078 -4.392 547 HG2 GLU 72 HG2 GLU 72 6.712 -12.205 -1.904 548 HG3 GLU 72 HG3 GLU 72 6.131 -11.987 -3.559 549 H ALA 73 H ALA 73 10.536 -10.104 -2.958 550 HA ALA 73 HA ALA 73 12.436 -9.261 -3.747 551 HB1 ALA 73 HB1 ALA 73 14.570 -10.295 -3.291 552 HB2 ALA 73 HB2 ALA 73 13.493 -10.479 -1.899 553 HB3 ALA 73 HB3 ALA 73 13.780 -11.859 -2.971 554 H MET 74 H MET 74 10.568 -10.559 -5.339 555 HA MET 74 HA MET 74 11.775 -10.488 -7.958 556 HB2 MET 74 HB2 MET 74 11.982 -12.888 -7.455 557 HB3 MET 74 HB3 MET 74 10.314 -12.942 -6.866 558 HG2 MET 74 HG2 MET 74 9.478 -12.429 -9.115 559 HG3 MET 74 HG3 MET 74 11.141 -12.353 -9.727 560 HE1 MET 74 HE1 MET 74 10.192 -14.012 -11.635 561 HE2 MET 74 HE2 MET 74 9.519 -15.621 -11.292 562 HE3 MET 74 HE3 MET 74 8.618 -14.164 -10.819 563 HA PRO 75 HA PRO 75 7.931 -8.251 -7.787 564 HB2 PRO 75 HB2 PRO 75 7.618 -7.393 -10.323 565 HB3 PRO 75 HB3 PRO 75 8.983 -6.867 -9.303 566 HG2 PRO 75 HG2 PRO 75 8.963 -9.104 -11.370 567 HG3 PRO 75 HG3 PRO 75 10.130 -7.747 -11.230 568 HD2 PRO 75 HD2 PRO 75 10.645 -10.192 -10.145 569 HD3 PRO 75 HD3 PRO 75 11.136 -8.685 -9.315 570 H VAL 76 H VAL 76 5.705 -8.306 -8.215 571 HA VAL 76 HA VAL 76 4.640 -10.882 -9.319 572 HB VAL 76 HB VAL 76 3.701 -9.426 -6.819 573 HG11 VAL 76 HG11 VAL 76 1.897 -10.741 -7.847 574 HG12 VAL 76 HG12 VAL 76 2.982 -12.144 -8.014 575 HG13 VAL 76 HG13 VAL 76 2.482 -11.578 -6.412 576 HG21 VAL 76 HG21 VAL 76 5.915 -10.414 -6.386 577 HG22 VAL 76 HG22 VAL 76 4.661 -11.353 -5.579 578 HG23 VAL 76 HG23 VAL 76 5.372 -11.957 -7.092 579 H ALA 77 H ALA 77 2.882 -10.836 -10.578 580 HA ALA 77 HA ALA 77 1.880 -8.290 -11.544 581 HB1 ALA 77 HB1 ALA 77 1.090 -11.143 -12.230 582 HB2 ALA 77 HB2 ALA 77 0.684 -9.681 -13.149 583 HB3 ALA 77 HB3 ALA 77 2.372 -10.199 -13.021 584 H LYS 78 H LYS 78 0.055 -7.259 -11.152 585 HA LYS 78 HA LYS 78 -2.110 -8.465 -9.458 586 HB2 LYS 78 HB2 LYS 78 -1.382 -5.523 -9.719 587 HB3 LYS 78 HB3 LYS 78 -2.537 -6.221 -8.601 588 HG2 LYS 78 HG2 LYS 78 0.491 -6.535 -8.559 589 HG3 LYS 78 HG3 LYS 78 -0.486 -5.528 -7.498 590 HD2 LYS 78 HD2 LYS 78 -1.492 -7.486 -6.440 591 HD3 LYS 78 HD3 LYS 78 -0.586 -8.576 -7.515 592 HE2 LYS 78 HE2 LYS 78 1.538 -7.848 -6.623 593 HE3 LYS 78 HE3 LYS 78 0.789 -6.502 -5.763 594 HZ1 LYS 78 HZ1 LYS 78 0.477 -9.377 -5.063 595 HZ2 LYS 78 HZ2 LYS 78 1.272 -8.245 -4.225 596 HZ3 LYS 78 HZ3 LYS 78 -0.368 -8.159 -4.352 597 H LYS 79 H LYS 79 -4.235 -8.125 -10.068 598 HA LYS 79 HA LYS 79 -4.975 -6.655 -12.519 599 HB2 LYS 79 HB2 LYS 79 -4.977 -9.674 -12.158 600 HB3 LYS 79 HB3 LYS 79 -6.278 -8.948 -13.071 601 HG2 LYS 79 HG2 LYS 79 -4.447 -7.733 -14.441 602 HG3 LYS 79 HG3 LYS 79 -3.302 -8.842 -13.683 603 HD2 LYS 79 HD2 LYS 79 -5.695 -9.601 -15.413 604 HD3 LYS 79 HD3 LYS 79 -4.002 -9.593 -15.922 605 HE2 LYS 79 HE2 LYS 79 -3.477 -11.353 -14.266 606 HE3 LYS 79 HE3 LYS 79 -5.168 -11.361 -13.734 607 HZ1 LYS 79 HZ1 LYS 79 -4.273 -12.048 -16.488 608 HZ2 LYS 79 HZ2 LYS 79 -4.692 -13.136 -15.348 609 HZ3 LYS 79 HZ3 LYS 79 -5.812 -12.098 -15.963 610 HA PRO 80 HA PRO 80 -8.750 -6.013 -10.128 611 HB2 PRO 80 HB2 PRO 80 -10.892 -6.879 -11.646 612 HB3 PRO 80 HB3 PRO 80 -10.026 -5.338 -11.923 613 HG2 PRO 80 HG2 PRO 80 -9.556 -8.011 -13.304 614 HG3 PRO 80 HG3 PRO 80 -9.798 -6.401 -14.062 615 HD2 PRO 80 HD2 PRO 80 -7.314 -7.299 -13.731 616 HD3 PRO 80 HD3 PRO 80 -7.702 -5.623 -13.287 617 H GLY 81 H GLY 81 -9.458 -7.149 -8.407 618 HA2 GLY 81 HA2 GLY 81 -10.169 -8.968 -7.121 619 HA3 GLY 81 HA3 GLY 81 -9.978 -10.060 -8.492 620 H SER 82 H SER 82 -7.478 -7.840 -7.176 621 HA SER 82 HA SER 82 -5.853 -10.197 -6.246 622 HB2 SER 82 HB2 SER 82 -4.905 -7.731 -7.760 623 HB3 SER 82 HB3 SER 82 -3.834 -8.848 -6.911 624 HG SER 82 HG SER 82 -5.600 -9.613 -9.030 625 H THR 83 H THR 83 -4.101 -9.436 -4.581 626 HA THR 83 HA THR 83 -5.086 -7.078 -3.009 627 HB THR 83 HB THR 83 -4.357 -8.211 -0.973 628 HG1 THR 83 HG1 THR 83 -4.070 -10.491 -1.132 629 HG21 THR 83 HG21 THR 83 -6.226 -9.748 -0.764 630 HG22 THR 83 HG22 THR 83 -6.740 -8.339 -1.703 631 HG23 THR 83 HG23 THR 83 -6.386 -9.869 -2.530 632 H VAL 84 H VAL 84 -3.671 -5.811 -1.867 633 HA VAL 84 HA VAL 84 -0.756 -6.042 -2.420 634 HB VAL 84 HB VAL 84 -0.687 -3.585 -2.883 635 HG11 VAL 84 HG11 VAL 84 -2.241 -5.221 -4.918 636 HG12 VAL 84 HG12 VAL 84 -1.322 -3.731 -5.233 637 HG13 VAL 84 HG13 VAL 84 -0.477 -5.189 -4.694 638 HG21 VAL 84 HG21 VAL 84 -3.696 -3.815 -3.327 639 HG22 VAL 84 HG22 VAL 84 -2.917 -2.944 -1.988 640 HG23 VAL 84 HG23 VAL 84 -2.660 -2.410 -3.652 641 H ILE 85 H ILE 85 0.572 -4.758 -1.109 642 HA ILE 85 HA ILE 85 -0.564 -3.906 1.504 643 HB ILE 85 HB ILE 85 1.793 -4.736 2.385 644 HG12 ILE 85 HG12 ILE 85 2.396 -6.967 1.517 645 HG13 ILE 85 HG13 ILE 85 1.283 -6.782 0.173 646 HG21 ILE 85 HG21 ILE 85 -0.580 -6.579 1.982 647 HG22 ILE 85 HG22 ILE 85 0.729 -6.775 3.177 648 HG23 ILE 85 HG23 ILE 85 -0.358 -5.392 3.292 649 HD11 ILE 85 HD11 ILE 85 3.630 -6.302 -0.463 650 HD12 ILE 85 HD12 ILE 85 2.607 -4.867 -0.663 651 HD13 ILE 85 HD13 ILE 85 3.684 -4.979 0.727 652 H ALA 86 H ALA 86 0.744 -2.429 2.754 653 HA ALA 86 HA ALA 86 1.674 -0.225 1.174 654 HB1 ALA 86 HB1 ALA 86 1.938 -0.776 4.149 655 HB2 ALA 86 HB2 ALA 86 2.163 0.799 3.354 656 HB3 ALA 86 HB3 ALA 86 0.572 0.014 3.366 657 H GLY 87 H GLY 87 3.724 0.620 0.912 658 HA2 GLY 87 HA2 GLY 87 6.089 0.745 1.011 659 HA3 GLY 87 HA3 GLY 87 6.143 -0.753 1.949 660 H SER 88 H SER 88 4.182 -1.446 -0.620 661 HA SER 88 HA SER 88 6.325 -2.613 -2.255 662 HB2 SER 88 HB2 SER 88 3.359 -2.856 -2.056 663 HB3 SER 88 HB3 SER 88 4.022 -2.942 -3.687 664 HG SER 88 HG SER 88 5.495 -4.496 -2.933 665 H ILE 89 H ILE 89 6.733 -2.103 -4.402 666 HA ILE 89 HA ILE 89 6.021 0.676 -5.258 667 HB ILE 89 HB ILE 89 8.199 -0.920 -6.574 668 HG12 ILE 89 HG12 ILE 89 8.815 -1.215 -4.272 669 HG13 ILE 89 HG13 ILE 89 9.920 -0.155 -5.102 670 HG21 ILE 89 HG21 ILE 89 9.160 1.340 -6.905 671 HG22 ILE 89 HG22 ILE 89 7.523 1.211 -7.562 672 HG23 ILE 89 HG23 ILE 89 7.787 2.052 -6.031 673 HD11 ILE 89 HD11 ILE 89 9.454 0.580 -2.788 674 HD12 ILE 89 HD12 ILE 89 9.024 1.804 -3.988 675 HD13 ILE 89 HD13 ILE 89 7.750 0.834 -3.205 676 H ASN 90 H ASN 90 4.847 1.031 -7.072 677 HA ASN 90 HA ASN 90 3.819 -1.286 -8.623 678 HB2 ASN 90 HB2 ASN 90 2.286 0.353 -7.450 679 HB3 ASN 90 HB3 ASN 90 2.915 1.628 -8.484 680 HD21 ASN 90 HD22 ASN 90 1.670 1.995 -10.268 681 HD22 ASN 90 HD21 ASN 90 0.521 0.836 -10.911 682 H GLN 91 H GLN 91 4.058 -1.499 -10.875 683 HA GLN 91 HA GLN 91 6.253 0.082 -12.023 684 HB2 GLN 91 HB2 GLN 91 5.092 -2.600 -12.688 685 HB3 GLN 91 HB3 GLN 91 6.028 -1.703 -13.870 686 HG2 GLN 91 HG2 GLN 91 7.548 -3.131 -12.852 687 HG3 GLN 91 HG3 GLN 91 7.928 -1.506 -12.302 688 HE21 GLN 91 HE22 GLN 91 7.449 -0.980 -9.989 689 HE22 GLN 91 HE21 GLN 91 7.105 -2.304 -8.864 690 H ASN 92 H ASN 92 3.888 -1.167 -14.341 691 HA ASN 92 HA ASN 92 4.036 1.551 -15.539 692 HB2 ASN 92 HB2 ASN 92 4.930 -0.185 -16.876 693 HB3 ASN 92 HB3 ASN 92 3.507 -1.202 -16.659 694 HD21 ASN 92 HD22 ASN 92 1.779 -0.981 -18.009 695 HD22 ASN 92 HD21 ASN 92 1.695 0.230 -19.286 696 H GLY 93 H GLY 93 1.401 -0.805 -14.739 697 HA2 GLY 93 HA2 GLY 93 -0.602 1.000 -15.857 698 HA3 GLY 93 HA3 GLY 93 -0.891 -0.525 -15.040 699 H SER 94 H SER 94 -2.017 2.337 -14.855 700 HA SER 94 HA SER 94 -1.801 2.810 -11.947 701 HB2 SER 94 HB2 SER 94 -2.021 4.740 -13.485 702 HB3 SER 94 HB3 SER 94 -3.607 4.138 -13.999 703 HG SER 94 HG SER 94 -2.954 4.634 -11.268 704 H LEU 95 H LEU 95 -3.167 2.050 -10.473 705 HA LEU 95 HA LEU 95 -5.463 0.327 -11.330 706 HB2 LEU 95 HB2 LEU 95 -3.746 -0.076 -8.889 707 HB3 LEU 95 HB3 LEU 95 -4.896 -1.193 -9.563 708 HG LEU 95 HG LEU 95 -2.199 -0.434 -10.791 709 HD11 LEU 95 HD11 LEU 95 -3.047 -2.887 -9.192 710 HD12 LEU 95 HD12 LEU 95 -1.491 -2.671 -10.021 711 HD13 LEU 95 HD13 LEU 95 -1.911 -1.623 -8.665 712 HD21 LEU 95 HD21 LEU 95 -4.235 -2.610 -11.412 713 HD22 LEU 95 HD22 LEU 95 -3.850 -1.196 -12.427 714 HD23 LEU 95 HD23 LEU 95 -2.631 -2.444 -12.154 715 H LEU 96 H LEU 96 -7.188 0.091 -9.717 716 HA LEU 96 HA LEU 96 -7.263 2.264 -7.652 717 HB2 LEU 96 HB2 LEU 96 -9.644 1.163 -9.166 718 HB3 LEU 96 HB3 LEU 96 -9.740 2.039 -7.663 719 HG LEU 96 HG LEU 96 -8.716 4.036 -8.669 720 HD11 LEU 96 HD11 LEU 96 -8.753 2.390 -11.222 721 HD12 LEU 96 HD12 LEU 96 -8.807 4.152 -11.239 722 HD13 LEU 96 HD13 LEU 96 -7.412 3.325 -10.532 723 HD21 LEU 96 HD21 LEU 96 -11.177 3.720 -8.589 724 HD22 LEU 96 HD22 LEU 96 -10.677 4.686 -9.981 725 HD23 LEU 96 HD23 LEU 96 -11.128 2.980 -10.204 726 H ILE 97 H ILE 97 -7.279 1.659 -5.680 727 HA ILE 97 HA ILE 97 -7.797 -1.187 -4.954 728 HB ILE 97 HB ILE 97 -5.835 0.785 -3.712 729 HG12 ILE 97 HG12 ILE 97 -4.216 -1.116 -4.745 730 HG13 ILE 97 HG13 ILE 97 -5.503 -1.226 -5.936 731 HG21 ILE 97 HG21 ILE 97 -6.059 -2.222 -3.300 732 HG22 ILE 97 HG22 ILE 97 -4.924 -1.114 -2.509 733 HG23 ILE 97 HG23 ILE 97 -6.645 -0.997 -2.151 734 HD11 ILE 97 HD11 ILE 97 -3.658 0.296 -6.581 735 HD12 ILE 97 HD12 ILE 97 -5.176 1.184 -6.484 736 HD13 ILE 97 HD13 ILE 97 -3.997 1.317 -5.168 737 H CYS 98 H CYS 98 -9.257 -1.590 -3.359 738 HA CYS 98 HA CYS 98 -10.437 0.696 -1.860 739 HB2 CYS 98 HB2 CYS 98 -12.029 -0.988 -1.000 740 HB3 CYS 98 HB3 CYS 98 -12.068 -0.823 -2.759 741 HG CYS 98 HG CYS 98 -10.342 -3.045 -1.063 742 H ALA 99 H ALA 99 -9.320 1.368 -0.171 743 HA ALA 99 HA ALA 99 -7.240 -0.270 1.063 744 HB1 ALA 99 HB1 ALA 99 -8.285 2.534 1.664 745 HB2 ALA 99 HB2 ALA 99 -6.840 1.793 2.378 746 HB3 ALA 99 HB3 ALA 99 -6.893 2.123 0.632 747 H THR 100 H THR 100 -7.215 -1.131 3.087 748 HA THR 100 HA THR 100 -9.819 -1.152 4.594 749 HB THR 100 HB THR 100 -9.356 -3.053 2.939 750 HG1 THR 100 HG1 THR 100 -10.322 -4.499 4.419 751 HG21 THR 100 HG21 THR 100 -7.767 -4.183 5.271 752 HG22 THR 100 HG22 THR 100 -8.122 -4.956 3.719 753 HG23 THR 100 HG23 THR 100 -7.024 -3.571 3.776 754 H HIS 101 H HIS 101 -6.673 -0.330 5.130 755 HA HIS 101 HA HIS 101 -7.232 -0.407 8.030 756 HB2 HIS 101 HB2 HIS 101 -4.644 -1.349 6.723 757 HB3 HIS 101 HB3 HIS 101 -4.796 -0.945 8.429 758 HD1 HIS 101 HD1 HIS 101 -5.168 -3.855 6.169 759 HD2 HIS 101 HD2 HIS 101 -6.814 -2.475 9.788 760 HE1 HIS 101 HE1 HIS 101 -6.279 -5.863 7.282 761 H VAL 102 H VAL 102 -6.323 1.293 9.171 762 HA VAL 102 HA VAL 102 -5.234 3.598 7.671 763 HB VAL 102 HB VAL 102 -5.224 4.726 9.871 764 HG11 VAL 102 HG11 VAL 102 -7.886 3.515 9.066 765 HG12 VAL 102 HG12 VAL 102 -7.645 4.980 10.042 766 HG13 VAL 102 HG13 VAL 102 -7.089 4.945 8.364 767 HG21 VAL 102 HG21 VAL 102 -5.008 2.756 11.374 768 HG22 VAL 102 HG22 VAL 102 -6.379 3.788 11.789 769 HG23 VAL 102 HG23 VAL 102 -6.669 2.264 10.940 770 H GLY 103 H GLY 103 -3.227 4.741 9.021 771 HA2 GLY 103 HA2 GLY 103 -1.029 3.057 8.205 772 HA3 GLY 103 HA3 GLY 103 -0.957 4.654 8.970 773 H ALA 104 H ALA 104 -2.449 3.851 11.402 774 HA ALA 104 HA ALA 104 -0.411 2.446 12.915 775 HB1 ALA 104 HB1 ALA 104 -1.840 4.203 13.871 776 HB2 ALA 104 HB2 ALA 104 -3.281 3.195 13.618 777 HB3 ALA 104 HB3 ALA 104 -2.022 2.678 14.761 778 H ASP 105 H ASP 105 -3.532 1.473 11.566 779 HA ASP 105 HA ASP 105 -3.536 -1.091 12.911 780 HB2 ASP 105 HB2 ASP 105 -5.529 0.500 12.321 781 HB3 ASP 105 HB3 ASP 105 -5.542 -0.362 10.781 782 H THR 106 H THR 106 -1.983 -0.235 10.103 783 HA THR 106 HA THR 106 -2.477 -2.679 8.555 784 HB THR 106 HB THR 106 -2.212 -0.505 7.452 785 HG1 THR 106 HG1 THR 106 -1.719 -2.298 6.240 786 HG21 THR 106 HG21 THR 106 -0.062 0.553 7.149 787 HG22 THR 106 HG22 THR 106 -0.444 0.486 8.873 788 HG23 THR 106 HG23 THR 106 0.735 -0.648 8.187 789 H THR 107 H THR 107 -0.883 -4.113 7.840 790 HA THR 107 HA THR 107 0.606 -5.565 9.555 791 HB THR 107 HB THR 107 1.143 -5.020 6.622 792 HG1 THR 107 HG1 THR 107 -0.787 -6.062 7.086 793 HG21 THR 107 HG21 THR 107 2.307 -7.247 6.620 794 HG22 THR 107 HG22 THR 107 3.232 -5.970 7.414 795 HG23 THR 107 HG23 THR 107 2.365 -7.179 8.394 796 H LEU 108 H LEU 108 2.052 -2.716 7.852 797 HA LEU 108 HA LEU 108 4.721 -3.229 8.699 798 HB2 LEU 108 HB2 LEU 108 3.268 -0.661 7.918 799 HB3 LEU 108 HB3 LEU 108 4.984 -0.699 8.283 800 HG LEU 108 HG LEU 108 5.478 -2.095 6.369 801 HD11 LEU 108 HD11 LEU 108 2.465 -2.133 5.938 802 HD12 LEU 108 HD12 LEU 108 3.657 -2.585 4.702 803 HD13 LEU 108 HD13 LEU 108 3.555 -3.549 6.168 804 HD21 LEU 108 HD21 LEU 108 5.208 0.346 6.010 805 HD22 LEU 108 HD22 LEU 108 4.732 -0.560 4.574 806 HD23 LEU 108 HD23 LEU 108 3.487 0.100 5.674 807 H SER 109 H SER 109 2.221 -1.159 10.181 808 HA SER 109 HA SER 109 3.807 -0.412 12.513 809 HB2 SER 109 HB2 SER 109 2.051 1.035 11.756 810 HB3 SER 109 HB3 SER 109 0.867 -0.278 11.821 811 HG SER 109 HG SER 109 0.505 0.324 13.733 812 H GLN 110 H GLN 110 1.581 -3.027 11.630 813 HA GLN 110 HA GLN 110 1.077 -3.983 14.307 814 HB2 GLN 110 HB2 GLN 110 -0.279 -4.398 12.168 815 HB3 GLN 110 HB3 GLN 110 0.965 -5.530 11.689 816 HG2 GLN 110 HG2 GLN 110 -0.671 -6.881 12.572 817 HG3 GLN 110 HG3 GLN 110 0.506 -6.790 13.880 818 HE21 GLN 110 HE22 GLN 110 -2.618 -5.450 12.707 819 HE22 GLN 110 HE21 GLN 110 -3.030 -4.732 14.245 820 H ILE 111 H ILE 111 3.541 -4.804 11.867 821 HA ILE 111 HA ILE 111 4.900 -6.874 13.310 822 HB ILE 111 HB ILE 111 5.833 -4.916 11.184 823 HG12 ILE 111 HG12 ILE 111 5.398 -7.919 10.903 824 HG13 ILE 111 HG13 ILE 111 4.066 -6.795 10.705 825 HG21 ILE 111 HG21 ILE 111 7.331 -7.325 12.320 826 HG22 ILE 111 HG22 ILE 111 7.810 -6.428 10.870 827 HG23 ILE 111 HG23 ILE 111 7.842 -5.625 12.429 828 HD11 ILE 111 HD11 ILE 111 6.609 -6.801 9.029 829 HD12 ILE 111 HD12 ILE 111 4.999 -7.322 8.531 830 HD13 ILE 111 HD13 ILE 111 5.293 -5.606 8.899 831 H VAL 112 H VAL 112 5.816 -3.350 13.066 832 HA VAL 112 HA VAL 112 7.976 -3.696 14.883 833 HB VAL 112 HB VAL 112 8.204 -1.302 14.991 834 HG11 VAL 112 HG11 VAL 112 8.965 -2.485 12.952 835 HG12 VAL 112 HG12 VAL 112 7.391 -2.169 12.190 836 HG13 VAL 112 HG13 VAL 112 8.457 -0.820 12.622 837 HG21 VAL 112 HG21 VAL 112 5.826 -0.606 15.198 838 HG22 VAL 112 HG22 VAL 112 6.671 0.245 13.900 839 HG23 VAL 112 HG23 VAL 112 5.567 -1.088 13.508 840 H LYS 113 H LYS 113 4.640 -3.253 15.625 841 HA LYS 113 HA LYS 113 4.969 -2.512 18.441 842 HB2 LYS 113 HB2 LYS 113 2.748 -3.748 16.792 843 HB3 LYS 113 HB3 LYS 113 2.616 -3.517 18.545 844 HG2 LYS 113 HG2 LYS 113 2.660 -1.141 18.348 845 HG3 LYS 113 HG3 LYS 113 3.177 -1.227 16.663 846 HD2 LYS 113 HD2 LYS 113 0.795 -0.611 16.880 847 HD3 LYS 113 HD3 LYS 113 1.113 -2.047 15.892 848 HE2 LYS 113 HE2 LYS 113 0.629 -3.475 17.863 849 HE3 LYS 113 HE3 LYS 113 0.170 -2.031 18.779 850 HZ1 LYS 113 HZ1 LYS 113 -1.762 -3.219 17.696 851 HZ2 LYS 113 HZ2 LYS 113 -1.626 -1.663 17.193 852 HZ3 LYS 113 HZ3 LYS 113 -1.113 -2.857 16.222 853 H LEU 114 H LEU 114 4.355 -5.638 16.750 854 HA LEU 114 HA LEU 114 4.421 -7.086 19.268 855 HB2 LEU 114 HB2 LEU 114 3.205 -7.448 16.770 856 HB3 LEU 114 HB3 LEU 114 4.346 -8.789 16.888 857 HG LEU 114 HG LEU 114 2.290 -7.981 18.976 858 HD11 LEU 114 HD11 LEU 114 2.159 -10.174 16.883 859 HD12 LEU 114 HD12 LEU 114 0.977 -9.910 18.191 860 HD13 LEU 114 HD13 LEU 114 1.195 -8.670 16.950 861 HD21 LEU 114 HD21 LEU 114 4.105 -9.289 19.995 862 HD22 LEU 114 HD22 LEU 114 2.655 -10.287 19.879 863 HD23 LEU 114 HD23 LEU 114 3.979 -10.505 18.707 864 H VAL 115 H VAL 115 6.742 -6.649 16.641 865 HA VAL 115 HA VAL 115 8.656 -8.644 17.488 866 HB VAL 115 HB VAL 115 9.019 -5.952 16.113 867 HG11 VAL 115 HG11 VAL 115 11.107 -8.116 16.625 868 HG12 VAL 115 HG12 VAL 115 11.302 -6.755 15.498 869 HG13 VAL 115 HG13 VAL 115 11.152 -6.441 17.224 870 HG21 VAL 115 HG21 VAL 115 7.845 -7.760 14.826 871 HG22 VAL 115 HG22 VAL 115 9.413 -7.342 14.123 872 HG23 VAL 115 HG23 VAL 115 9.234 -8.825 15.089 873 H GLU 116 H GLU 116 8.669 -5.145 18.305 874 HA GLU 116 HA GLU 116 10.396 -5.224 20.384 875 HB2 GLU 116 HB2 GLU 116 8.120 -3.453 19.586 876 HB3 GLU 116 HB3 GLU 116 8.758 -3.181 21.186 877 HG2 GLU 116 HG2 GLU 116 10.524 -3.298 18.706 878 HG3 GLU 116 HG3 GLU 116 9.803 -1.809 19.325 879 H GLU 117 H GLU 117 7.280 -6.721 20.730 880 HA GLU 117 HA GLU 117 7.267 -6.540 23.671 881 HB2 GLU 117 HB2 GLU 117 5.762 -8.480 21.864 882 HB3 GLU 117 HB3 GLU 117 5.600 -8.315 23.614 883 HG2 GLU 117 HG2 GLU 117 5.077 -5.792 23.048 884 HG3 GLU 117 HG3 GLU 117 4.685 -6.426 21.453 885 H ALA 118 H ALA 118 8.674 -8.746 21.243 886 HA ALA 118 HA ALA 118 9.699 -10.560 23.354 887 HB1 ALA 118 HB1 ALA 118 10.609 -11.773 21.359 888 HB2 ALA 118 HB2 ALA 118 8.841 -11.652 21.394 889 HB3 ALA 118 HB3 ALA 118 9.764 -10.600 20.310 890 H GLN 119 H GLN 119 11.064 -8.925 20.572 891 HA GLN 119 HA GLN 119 13.666 -8.405 21.672 892 HB2 GLN 119 HB2 GLN 119 12.170 -7.747 19.115 893 HB3 GLN 119 HB3 GLN 119 13.691 -7.016 19.408 894 HG2 GLN 119 HG2 GLN 119 14.721 -8.761 18.530 895 HG3 GLN 119 HG3 GLN 119 14.247 -9.690 19.965 896 HE21 GLN 119 HE22 GLN 119 12.287 -10.874 19.936 897 HE22 GLN 119 HE21 GLN 119 11.381 -11.041 18.423 Start of MODEL 13 1 H SER 1 H SER 1 18.999 -4.676 14.104 2 HA SER 1 HA SER 1 16.115 -4.100 14.520 3 HB2 SER 1 HB2 SER 1 18.597 -2.985 15.888 4 HB3 SER 1 HB3 SER 1 16.916 -2.598 16.287 5 HG SER 1 HG SER 1 18.258 -5.087 16.543 6 H GLU 2 H GLU 2 18.971 -2.819 12.912 7 HA GLU 2 HA GLU 2 18.218 -0.191 12.319 8 HB2 GLU 2 HB2 GLU 2 20.381 -1.279 11.796 9 HB3 GLU 2 HB3 GLU 2 19.603 -2.290 10.593 10 HG2 GLU 2 HG2 GLU 2 20.861 -0.438 9.569 11 HG3 GLU 2 HG3 GLU 2 19.160 -0.414 9.151 12 H ALA 3 H ALA 3 16.984 -3.177 10.830 13 HA ALA 3 HA ALA 3 15.419 -1.807 8.793 14 HB1 ALA 3 HB1 ALA 3 15.441 -4.678 9.779 15 HB2 ALA 3 HB2 ALA 3 14.549 -4.082 8.365 16 HB3 ALA 3 HB3 ALA 3 16.322 -4.026 8.382 17 H LEU 4 H LEU 4 14.882 -2.269 12.201 18 HA LEU 4 HA LEU 4 12.153 -3.079 12.110 19 HB2 LEU 4 HB2 LEU 4 13.688 -3.341 14.069 20 HB3 LEU 4 HB3 LEU 4 13.631 -1.600 14.320 21 HG LEU 4 HG LEU 4 11.151 -1.755 14.716 22 HD11 LEU 4 HD11 LEU 4 11.793 -4.723 14.697 23 HD12 LEU 4 HD12 LEU 4 10.266 -4.013 15.286 24 HD13 LEU 4 HD13 LEU 4 10.715 -3.890 13.575 25 HD21 LEU 4 HD21 LEU 4 12.914 -3.449 16.527 26 HD22 LEU 4 HD22 LEU 4 12.756 -1.676 16.582 27 HD23 LEU 4 HD23 LEU 4 11.360 -2.699 16.962 28 H ALA 5 H ALA 5 13.516 0.325 12.221 29 HA ALA 5 HA ALA 5 10.811 1.428 12.231 30 HB1 ALA 5 HB1 ALA 5 13.533 2.730 11.839 31 HB2 ALA 5 HB2 ALA 5 11.987 3.558 12.086 32 HB3 ALA 5 HB3 ALA 5 12.677 2.576 13.390 33 H LYS 6 H LYS 6 12.921 0.010 9.811 34 HA LYS 6 HA LYS 6 12.532 2.013 7.723 35 HB2 LYS 6 HB2 LYS 6 14.559 0.709 7.825 36 HB3 LYS 6 HB3 LYS 6 13.656 -0.804 7.626 37 HG2 LYS 6 HG2 LYS 6 13.012 -0.305 5.420 38 HG3 LYS 6 HG3 LYS 6 13.458 1.412 5.573 39 HD2 LYS 6 HD2 LYS 6 15.797 0.867 5.676 40 HD3 LYS 6 HD3 LYS 6 15.456 -0.886 5.686 41 HE2 LYS 6 HE2 LYS 6 14.604 -0.827 3.445 42 HE3 LYS 6 HE3 LYS 6 14.458 0.937 3.493 43 HZ1 LYS 6 HZ1 LYS 6 16.858 1.101 3.527 44 HZ2 LYS 6 HZ2 LYS 6 17.054 -0.532 3.437 45 HZ3 LYS 6 HZ3 LYS 6 16.374 0.317 2.192 46 H LEU 7 H LEU 7 11.050 -1.142 8.509 47 HA LEU 7 HA LEU 7 9.215 -1.353 6.381 48 HB2 LEU 7 HB2 LEU 7 9.091 -2.036 9.334 49 HB3 LEU 7 HB3 LEU 7 7.674 -2.273 8.336 50 HG LEU 7 HG LEU 7 8.974 -4.329 8.716 51 HD11 LEU 7 HD11 LEU 7 7.538 -4.291 6.803 52 HD12 LEU 7 HD12 LEU 7 8.749 -3.425 5.823 53 HD13 LEU 7 HD13 LEU 7 9.031 -5.095 6.339 54 HD21 LEU 7 HD21 LEU 7 11.258 -3.453 8.677 55 HD22 LEU 7 HD22 LEU 7 11.051 -4.781 7.544 56 HD23 LEU 7 HD23 LEU 7 11.120 -3.123 6.926 57 H ILE 8 H ILE 8 8.869 0.655 9.334 58 HA ILE 8 HA ILE 8 6.357 1.843 8.485 59 HB ILE 8 HB ILE 8 8.325 2.496 10.695 60 HG12 ILE 8 HG12 ILE 8 7.204 0.374 11.021 61 HG13 ILE 8 HG13 ILE 8 6.650 1.552 12.194 62 HG21 ILE 8 HG21 ILE 8 5.630 3.812 10.227 63 HG22 ILE 8 HG22 ILE 8 6.576 3.915 11.720 64 HG23 ILE 8 HG23 ILE 8 7.224 4.590 10.224 65 HD11 ILE 8 HD11 ILE 8 4.546 1.864 10.856 66 HD12 ILE 8 HD12 ILE 8 5.102 0.598 9.737 67 HD13 ILE 8 HD13 ILE 8 4.780 0.208 11.431 68 H SER 9 H SER 9 9.723 2.650 7.832 69 HA SER 9 HA SER 9 9.277 5.425 7.139 70 HB2 SER 9 HB2 SER 9 11.522 3.557 6.284 71 HB3 SER 9 HB3 SER 9 11.490 5.312 6.140 72 HG SER 9 HG SER 9 12.656 4.441 7.963 73 H LEU 10 H LEU 10 9.301 2.358 5.309 74 HA LEU 10 HA LEU 10 9.419 3.399 2.689 75 HB2 LEU 10 HB2 LEU 10 8.511 0.821 3.967 76 HB3 LEU 10 HB3 LEU 10 8.005 1.130 2.322 77 HG LEU 10 HG LEU 10 10.396 1.474 1.638 78 HD11 LEU 10 HD11 LEU 10 11.357 1.865 3.920 79 HD12 LEU 10 HD12 LEU 10 10.984 0.160 4.298 80 HD13 LEU 10 HD13 LEU 10 12.153 0.568 3.018 81 HD21 LEU 10 HD21 LEU 10 10.875 -0.985 1.696 82 HD22 LEU 10 HD22 LEU 10 9.548 -1.176 2.868 83 HD23 LEU 10 HD23 LEU 10 9.214 -0.627 1.214 84 H GLN 11 H GLN 11 6.787 3.657 4.840 85 HA GLN 11 HA GLN 11 4.523 3.408 3.111 86 HB2 GLN 11 HB2 GLN 11 4.881 4.846 5.734 87 HB3 GLN 11 HB3 GLN 11 3.336 4.591 4.902 88 HG2 GLN 11 HG2 GLN 11 3.643 2.143 5.010 89 HG3 GLN 11 HG3 GLN 11 5.199 2.365 5.837 90 HE21 GLN 11 HE22 GLN 11 5.133 3.710 7.874 91 HE22 GLN 11 HE21 GLN 11 3.650 3.718 8.808 92 H ALA 12 H ALA 12 3.473 4.780 1.807 93 HA ALA 12 HA ALA 12 4.627 7.261 0.949 94 HB1 ALA 12 HB1 ALA 12 2.628 7.400 -0.452 95 HB2 ALA 12 HB2 ALA 12 3.274 5.745 -0.461 96 HB3 ALA 12 HB3 ALA 12 1.845 6.127 0.504 97 H THR 13 H THR 13 3.838 9.393 1.147 98 HA THR 13 HA THR 13 2.708 9.979 3.840 99 HB THR 13 HB THR 13 3.995 12.002 2.011 100 HG1 THR 13 HG1 THR 13 5.972 11.476 2.997 101 HG21 THR 13 HG21 THR 13 4.021 11.624 5.041 102 HG22 THR 13 HG22 THR 13 4.715 12.990 4.142 103 HG23 THR 13 HG23 THR 13 2.967 12.751 4.157 104 H GLU 14 H GLU 14 2.032 10.458 0.431 105 HA GLU 14 HA GLU 14 -0.648 11.449 1.121 106 HB2 GLU 14 HB2 GLU 14 -0.574 13.215 -0.607 107 HB3 GLU 14 HB3 GLU 14 0.417 13.531 0.811 108 HG2 GLU 14 HG2 GLU 14 1.573 12.411 -1.763 109 HG3 GLU 14 HG3 GLU 14 1.330 14.136 -1.512 110 H ALA 15 H ALA 15 -2.239 11.223 -0.572 111 HA ALA 15 HA ALA 15 -1.645 9.102 -2.569 112 HB1 ALA 15 HB1 ALA 15 -2.117 8.031 -0.382 113 HB2 ALA 15 HB2 ALA 15 -3.687 8.865 -0.320 114 HB3 ALA 15 HB3 ALA 15 -3.361 7.668 -1.596 115 H THR 16 H THR 16 -3.343 8.765 -4.133 116 HA THR 16 HA THR 16 -5.062 11.126 -4.568 117 HB THR 16 HB THR 16 -4.606 8.806 -6.452 118 HG1 THR 16 HG1 THR 16 -3.403 10.554 -7.526 119 HG21 THR 16 HG21 THR 16 -5.459 10.391 -8.150 120 HG22 THR 16 HG22 THR 16 -6.690 10.099 -6.925 121 HG23 THR 16 HG23 THR 16 -5.749 11.606 -6.883 122 H ILE 17 H ILE 17 -7.061 11.141 -3.663 123 HA ILE 17 HA ILE 17 -8.699 8.650 -3.484 124 HB ILE 17 HB ILE 17 -9.389 11.476 -2.581 125 HG12 ILE 17 HG12 ILE 17 -8.547 9.014 -1.003 126 HG13 ILE 17 HG13 ILE 17 -7.626 10.503 -1.181 127 HG21 ILE 17 HG21 ILE 17 -10.883 8.833 -2.173 128 HG22 ILE 17 HG22 ILE 17 -11.364 10.417 -1.524 129 HG23 ILE 17 HG23 ILE 17 -11.404 10.155 -3.245 130 HD11 ILE 17 HD11 ILE 17 -10.237 10.137 0.352 131 HD12 ILE 17 HD12 ILE 17 -8.640 10.428 1.015 132 HD13 ILE 17 HD13 ILE 17 -9.443 11.710 0.076 133 H VAL 18 H VAL 18 -10.117 8.084 -5.044 134 HA VAL 18 HA VAL 18 -10.719 10.076 -7.204 135 HB VAL 18 HB VAL 18 -10.555 7.064 -7.390 136 HG11 VAL 18 HG11 VAL 18 -10.693 7.479 -9.851 137 HG12 VAL 18 HG12 VAL 18 -12.180 7.858 -8.984 138 HG13 VAL 18 HG13 VAL 18 -11.110 9.174 -9.502 139 HG21 VAL 18 HG21 VAL 18 -8.327 7.902 -7.136 140 HG22 VAL 18 HG22 VAL 18 -8.579 7.500 -8.835 141 HG23 VAL 18 HG23 VAL 18 -8.610 9.194 -8.310 142 H THR 19 H THR 19 -12.754 10.628 -7.563 143 HA THR 19 HA THR 19 -15.004 8.945 -6.543 144 HB THR 19 HB THR 19 -14.922 11.947 -6.101 145 HG1 THR 19 HG1 THR 19 -13.453 11.381 -4.749 146 HG21 THR 19 HG21 THR 19 -16.619 9.720 -4.887 147 HG22 THR 19 HG22 THR 19 -16.677 11.434 -4.426 148 HG23 THR 19 HG23 THR 19 -17.175 10.946 -6.050 149 H LEU 20 H LEU 20 -16.700 8.858 -7.858 150 HA LEU 20 HA LEU 20 -16.773 10.485 -10.334 151 HB2 LEU 20 HB2 LEU 20 -18.755 8.390 -9.380 152 HB3 LEU 20 HB3 LEU 20 -18.726 9.163 -10.948 153 HG LEU 20 HG LEU 20 -16.451 7.415 -9.896 154 HD11 LEU 20 HD11 LEU 20 -18.703 6.704 -11.815 155 HD12 LEU 20 HD12 LEU 20 -17.276 5.705 -11.462 156 HD13 LEU 20 HD13 LEU 20 -18.444 6.058 -10.186 157 HD21 LEU 20 HD21 LEU 20 -15.711 9.002 -11.623 158 HD22 LEU 20 HD22 LEU 20 -15.752 7.362 -12.274 159 HD23 LEU 20 HD23 LEU 20 -17.048 8.506 -12.682 160 H ASP 21 H ASP 21 -17.021 12.542 -9.600 161 HA ASP 21 HA ASP 21 -18.899 13.277 -7.560 162 HB2 ASP 21 HB2 ASP 21 -16.664 14.424 -8.353 163 HB3 ASP 21 HB3 ASP 21 -17.704 15.293 -9.459 164 H SER 22 H SER 22 -19.561 12.419 -10.535 165 HA SER 22 HA SER 22 -22.297 13.039 -10.339 166 HB2 SER 22 HB2 SER 22 -21.096 14.432 -12.745 167 HB3 SER 22 HB3 SER 22 -22.811 14.123 -12.478 168 HG SER 22 HG SER 22 -21.699 15.215 -10.294 169 H ASP 23 H ASP 23 -23.512 11.750 -11.430 170 HA ASP 23 HA ASP 23 -23.689 9.340 -11.844 171 HB2 ASP 23 HB2 ASP 23 -24.606 11.373 -13.892 172 HB3 ASP 23 HB3 ASP 23 -25.103 9.693 -13.987 173 H ASN 24 H ASN 24 -21.085 9.297 -12.255 174 HA ASN 24 HA ASN 24 -19.362 8.202 -13.251 175 HB2 ASN 24 HB2 ASN 24 -21.133 6.411 -13.773 176 HB3 ASN 24 HB3 ASN 24 -21.162 7.075 -15.412 177 HD21 ASN 24 HD22 ASN 24 -18.187 7.512 -15.455 178 HD22 ASN 24 HD21 ASN 24 -17.618 5.843 -15.556 179 H ILE 25 H ILE 25 -21.468 10.264 -15.206 180 HA ILE 25 HA ILE 25 -19.865 11.031 -17.285 181 HB ILE 25 HB ILE 25 -21.328 13.083 -17.153 182 HG12 ILE 25 HG12 ILE 25 -22.521 11.866 -14.687 183 HG13 ILE 25 HG13 ILE 25 -21.465 13.280 -14.718 184 HG21 ILE 25 HG21 ILE 25 -22.832 10.460 -16.792 185 HG22 ILE 25 HG22 ILE 25 -23.321 11.860 -17.767 186 HG23 ILE 25 HG23 ILE 25 -21.933 10.883 -18.253 187 HD11 ILE 25 HD11 ILE 25 -23.117 14.468 -16.158 188 HD12 ILE 25 HD12 ILE 25 -24.213 13.070 -16.015 189 HD13 ILE 25 HD13 ILE 25 -23.777 14.005 -14.579 190 H LEU 26 H LEU 26 -19.100 11.701 -14.012 191 HA LEU 26 HA LEU 26 -17.153 13.814 -14.852 192 HB2 LEU 26 HB2 LEU 26 -19.098 14.896 -13.917 193 HB3 LEU 26 HB3 LEU 26 -19.085 13.786 -12.545 194 HG LEU 26 HG LEU 26 -17.147 14.791 -11.584 195 HD11 LEU 26 HD11 LEU 26 -17.067 16.545 -14.049 196 HD12 LEU 26 HD12 LEU 26 -16.094 16.773 -12.567 197 HD13 LEU 26 HD13 LEU 26 -15.845 15.334 -13.562 198 HD21 LEU 26 HD21 LEU 26 -19.335 15.915 -11.203 199 HD22 LEU 26 HD22 LEU 26 -18.001 17.074 -11.180 200 HD23 LEU 26 HD23 LEU 26 -19.047 16.954 -12.609 201 H LEU 27 H LEU 27 -15.382 12.775 -14.726 202 HA LEU 27 HA LEU 27 -14.601 11.068 -12.396 203 HB2 LEU 27 HB2 LEU 27 -13.266 11.756 -15.030 204 HB3 LEU 27 HB3 LEU 27 -12.333 11.110 -13.690 205 HG LEU 27 HG LEU 27 -13.686 9.082 -13.610 206 HD11 LEU 27 HD11 LEU 27 -15.257 8.542 -15.475 207 HD12 LEU 27 HD12 LEU 27 -15.869 9.818 -14.424 208 HD13 LEU 27 HD13 LEU 27 -15.171 10.235 -16.006 209 HD21 LEU 27 HD21 LEU 27 -11.688 9.199 -15.078 210 HD22 LEU 27 HD22 LEU 27 -12.916 8.101 -15.725 211 HD23 LEU 27 HD23 LEU 27 -12.716 9.718 -16.427 212 H SER 28 H SER 28 -13.594 11.859 -10.593 213 HA SER 28 HA SER 28 -12.092 14.400 -10.781 214 HB2 SER 28 HB2 SER 28 -14.548 14.745 -10.062 215 HB3 SER 28 HB3 SER 28 -14.085 13.925 -8.557 216 HG SER 28 HG SER 28 -13.269 16.387 -9.653 217 H GLU 29 H GLU 29 -10.300 14.475 -9.523 218 HA GLU 29 HA GLU 29 -9.794 12.259 -7.582 219 HB2 GLU 29 HB2 GLU 29 -7.806 13.195 -9.672 220 HB3 GLU 29 HB3 GLU 29 -7.668 11.834 -8.541 221 HG2 GLU 29 HG2 GLU 29 -9.481 10.653 -9.695 222 HG3 GLU 29 HG3 GLU 29 -9.680 11.990 -10.824 223 H GLU 30 H GLU 30 -8.759 12.864 -5.714 224 HA GLU 30 HA GLU 30 -7.700 15.672 -5.462 225 HB2 GLU 30 HB2 GLU 30 -8.667 13.909 -3.194 226 HB3 GLU 30 HB3 GLU 30 -8.274 15.616 -3.123 227 HG2 GLU 30 HG2 GLU 30 -10.647 14.482 -4.635 228 HG3 GLU 30 HG3 GLU 30 -10.687 14.901 -2.935 229 H GLN 31 H GLN 31 -5.583 15.856 -4.587 230 HA GLN 31 HA GLN 31 -4.260 13.306 -3.733 231 HB2 GLN 31 HB2 GLN 31 -3.014 15.920 -4.650 232 HB3 GLN 31 HB3 GLN 31 -2.119 14.523 -4.010 233 HG2 GLN 31 HG2 GLN 31 -3.145 13.099 -5.794 234 HG3 GLN 31 HG3 GLN 31 -3.737 14.592 -6.584 235 HE21 GLN 31 HE22 GLN 31 -1.166 12.512 -5.808 236 HE22 GLN 31 HE21 GLN 31 -0.036 13.743 -5.675 237 H VAL 32 H VAL 32 -4.167 12.961 -1.618 238 HA VAL 32 HA VAL 32 -4.451 15.266 0.272 239 HB VAL 32 HB VAL 32 -6.095 14.179 1.507 240 HG11 VAL 32 HG11 VAL 32 -6.919 13.495 -1.342 241 HG12 VAL 32 HG12 VAL 32 -7.960 13.930 0.026 242 HG13 VAL 32 HG13 VAL 32 -6.889 15.148 -0.693 243 HG21 VAL 32 HG21 VAL 32 -5.282 11.859 1.549 244 HG22 VAL 32 HG22 VAL 32 -6.972 11.927 1.086 245 HG23 VAL 32 HG23 VAL 32 -5.729 11.657 -0.159 246 H ASP 33 H ASP 33 -3.757 14.840 2.491 247 HA ASP 33 HA ASP 33 -1.301 13.222 2.558 248 HB2 ASP 33 HB2 ASP 33 -2.649 14.678 4.845 249 HB3 ASP 33 HB3 ASP 33 -1.015 14.023 4.823 250 H VAL 34 H VAL 34 -0.903 11.469 3.868 251 HA VAL 34 HA VAL 34 -2.807 9.461 3.836 252 HB VAL 34 HB VAL 34 -0.387 9.156 3.849 253 HG11 VAL 34 HG11 VAL 34 -0.508 9.491 6.876 254 HG12 VAL 34 HG12 VAL 34 0.900 9.043 5.897 255 HG13 VAL 34 HG13 VAL 34 0.212 10.657 5.738 256 HG21 VAL 34 HG21 VAL 34 -1.636 7.432 6.008 257 HG22 VAL 34 HG22 VAL 34 -1.945 7.239 4.270 258 HG23 VAL 34 HG23 VAL 34 -0.304 7.029 4.911 259 H GLU 35 H GLU 35 -2.584 11.765 6.442 260 HA GLU 35 HA GLU 35 -4.170 10.143 8.308 261 HB2 GLU 35 HB2 GLU 35 -2.449 12.059 8.809 262 HB3 GLU 35 HB3 GLU 35 -3.802 13.134 8.471 263 HG2 GLU 35 HG2 GLU 35 -3.732 12.813 10.834 264 HG3 GLU 35 HG3 GLU 35 -5.113 11.876 10.266 265 H LEU 36 H LEU 36 -4.957 12.152 5.565 266 HA LEU 36 HA LEU 36 -7.654 12.849 6.489 267 HB2 LEU 36 HB2 LEU 36 -6.302 13.405 3.832 268 HB3 LEU 36 HB3 LEU 36 -7.707 14.220 4.507 269 HG LEU 36 HG LEU 36 -4.851 14.406 5.561 270 HD11 LEU 36 HD11 LEU 36 -6.591 16.487 4.187 271 HD12 LEU 36 HD12 LEU 36 -4.922 16.699 4.755 272 HD13 LEU 36 HD13 LEU 36 -5.272 15.592 3.415 273 HD21 LEU 36 HD21 LEU 36 -5.698 16.206 7.021 274 HD22 LEU 36 HD22 LEU 36 -7.358 15.866 6.488 275 HD23 LEU 36 HD23 LEU 36 -6.448 14.659 7.424 276 H VAL 37 H VAL 37 -6.319 10.188 4.967 277 HA VAL 37 HA VAL 37 -8.835 9.369 3.593 278 HB VAL 37 HB VAL 37 -6.923 8.998 2.251 279 HG11 VAL 37 HG11 VAL 37 -5.053 7.505 2.875 280 HG12 VAL 37 HG12 VAL 37 -5.104 8.977 3.839 281 HG13 VAL 37 HG13 VAL 37 -5.668 7.439 4.540 282 HG21 VAL 37 HG21 VAL 37 -8.624 7.228 2.195 283 HG22 VAL 37 HG22 VAL 37 -7.002 6.604 1.841 284 HG23 VAL 37 HG23 VAL 37 -7.729 6.305 3.424 285 H GLN 38 H GLN 38 -10.091 7.666 4.299 286 HA GLN 38 HA GLN 38 -9.330 6.365 6.876 287 HB2 GLN 38 HB2 GLN 38 -11.501 6.667 7.790 288 HB3 GLN 38 HB3 GLN 38 -10.797 8.207 7.378 289 HG2 GLN 38 HG2 GLN 38 -13.055 8.410 6.828 290 HG3 GLN 38 HG3 GLN 38 -12.269 8.189 5.269 291 HE21 GLN 38 HE22 GLN 38 -13.787 6.054 7.797 292 HE22 GLN 38 HE21 GLN 38 -14.652 5.180 6.536 293 H ARG 39 H ARG 39 -10.848 4.470 7.362 294 HA ARG 39 HA ARG 39 -10.255 2.511 5.430 295 HB2 ARG 39 HB2 ARG 39 -11.161 0.963 7.039 296 HB3 ARG 39 HB3 ARG 39 -10.324 2.255 7.909 297 HG2 ARG 39 HG2 ARG 39 -12.642 3.357 8.185 298 HG3 ARG 39 HG3 ARG 39 -13.314 1.867 7.506 299 HD2 ARG 39 HD2 ARG 39 -12.320 0.558 9.353 300 HD3 ARG 39 HD3 ARG 39 -11.571 2.041 9.976 301 HE ARG 39 HE ARG 39 -13.616 2.723 10.871 302 HH11 ARG 39 HH11 ARG 39 -14.374 0.112 8.592 303 HH12 ARG 39 HH12 ARG 39 -15.999 -0.001 9.223 304 HH21 ARG 39 HH21 ARG 39 -15.782 2.559 11.443 305 HH22 ARG 39 HH22 ARG 39 -16.819 1.579 10.434 306 H GLY 40 H GLY 40 -12.307 4.431 4.346 307 HA2 GLY 40 HA2 GLY 40 -13.977 2.437 2.968 308 HA3 GLY 40 HA3 GLY 40 -14.832 3.704 3.871 309 H ASP 41 H ASP 41 -11.831 3.766 1.928 310 HA ASP 41 HA ASP 41 -13.010 5.709 0.004 311 HB2 ASP 41 HB2 ASP 41 -10.349 5.928 1.458 312 HB3 ASP 41 HB3 ASP 41 -10.690 6.784 -0.044 313 H ILE 42 H ILE 42 -11.903 5.694 -2.108 314 HA ILE 42 HA ILE 42 -10.375 3.184 -2.649 315 HB ILE 42 HB ILE 42 -12.422 4.476 -4.468 316 HG12 ILE 42 HG12 ILE 42 -12.238 1.756 -3.080 317 HG13 ILE 42 HG13 ILE 42 -13.380 3.046 -2.706 318 HG21 ILE 42 HG21 ILE 42 -10.525 2.140 -5.023 319 HG22 ILE 42 HG22 ILE 42 -11.799 2.735 -6.114 320 HG23 ILE 42 HG23 ILE 42 -10.424 3.754 -5.769 321 HD11 ILE 42 HD11 ILE 42 -14.371 2.771 -5.003 322 HD12 ILE 42 HD12 ILE 42 -13.329 1.342 -5.226 323 HD13 ILE 42 HD13 ILE 42 -14.534 1.355 -3.939 324 H ILE 43 H ILE 43 -8.381 3.469 -3.252 325 HA ILE 43 HA ILE 43 -7.469 6.175 -3.988 326 HB ILE 43 HB ILE 43 -6.025 3.830 -2.700 327 HG12 ILE 43 HG12 ILE 43 -7.746 4.493 -1.151 328 HG13 ILE 43 HG13 ILE 43 -6.185 5.011 -0.555 329 HG21 ILE 43 HG21 ILE 43 -5.198 6.745 -2.985 330 HG22 ILE 43 HG22 ILE 43 -4.350 5.525 -2.008 331 HG23 ILE 43 HG23 ILE 43 -4.442 5.343 -3.758 332 HD11 ILE 43 HD11 ILE 43 -8.181 6.845 -1.957 333 HD12 ILE 43 HD12 ILE 43 -7.978 6.698 -0.218 334 HD13 ILE 43 HD13 ILE 43 -6.647 7.335 -1.203 335 H LYS 44 H LYS 44 -6.587 6.542 -5.940 336 HA LYS 44 HA LYS 44 -5.633 4.352 -7.678 337 HB2 LYS 44 HB2 LYS 44 -6.647 6.120 -8.853 338 HB3 LYS 44 HB3 LYS 44 -5.838 7.358 -7.902 339 HG2 LYS 44 HG2 LYS 44 -4.961 7.349 -10.136 340 HG3 LYS 44 HG3 LYS 44 -3.712 6.924 -8.994 341 HD2 LYS 44 HD2 LYS 44 -3.381 5.522 -10.879 342 HD3 LYS 44 HD3 LYS 44 -4.023 4.489 -9.625 343 HE2 LYS 44 HE2 LYS 44 -5.046 3.899 -11.700 344 HE3 LYS 44 HE3 LYS 44 -6.283 4.612 -10.664 345 HZ1 LYS 44 HZ1 LYS 44 -4.834 6.258 -12.659 346 HZ2 LYS 44 HZ2 LYS 44 -6.208 5.375 -13.051 347 HZ3 LYS 44 HZ3 LYS 44 -6.279 6.558 -11.936 348 H VAL 45 H VAL 45 -3.722 3.413 -7.467 349 HA VAL 45 HA VAL 45 -1.433 4.921 -6.293 350 HB VAL 45 HB VAL 45 -1.958 2.826 -5.212 351 HG11 VAL 45 HG11 VAL 45 -1.358 1.444 -7.844 352 HG12 VAL 45 HG12 VAL 45 -1.620 0.668 -6.279 353 HG13 VAL 45 HG13 VAL 45 -2.943 1.561 -7.034 354 HG21 VAL 45 HG21 VAL 45 0.412 3.548 -5.300 355 HG22 VAL 45 HG22 VAL 45 0.260 1.786 -5.295 356 HG23 VAL 45 HG23 VAL 45 0.642 2.635 -6.807 357 H VAL 46 H VAL 46 0.088 5.719 -7.571 358 HA VAL 46 HA VAL 46 -0.379 5.513 -10.445 359 HB VAL 46 HB VAL 46 1.145 7.387 -10.677 360 HG11 VAL 46 HG11 VAL 46 -0.209 9.053 -9.548 361 HG12 VAL 46 HG12 VAL 46 -1.254 7.754 -10.138 362 HG13 VAL 46 HG13 VAL 46 -0.843 7.849 -8.411 363 HG21 VAL 46 HG21 VAL 46 1.529 7.248 -7.652 364 HG22 VAL 46 HG22 VAL 46 2.773 6.954 -8.894 365 HG23 VAL 46 HG23 VAL 46 2.064 8.560 -8.715 366 HA PRO 47 HA PRO 47 3.121 2.965 -11.569 367 HB2 PRO 47 HB2 PRO 47 3.633 4.978 -13.755 368 HB3 PRO 47 HB3 PRO 47 3.560 3.194 -13.862 369 HG2 PRO 47 HG2 PRO 47 1.463 4.685 -14.690 370 HG3 PRO 47 HG3 PRO 47 1.151 3.239 -13.670 371 HD2 PRO 47 HD2 PRO 47 1.331 6.139 -12.790 372 HD3 PRO 47 HD3 PRO 47 0.073 4.917 -12.417 373 H GLY 48 H GLY 48 5.154 2.868 -10.757 374 HA2 GLY 48 HA2 GLY 48 7.206 3.502 -9.868 375 HA3 GLY 48 HA3 GLY 48 6.972 5.142 -10.476 376 H GLY 49 H GLY 49 4.181 4.714 -8.835 377 HA2 GLY 49 HA2 GLY 49 5.026 6.173 -6.471 378 HA3 GLY 49 HA3 GLY 49 3.395 5.675 -6.912 379 H LYS 50 H LYS 50 3.645 5.512 -4.452 380 HA LYS 50 HA LYS 50 4.371 2.704 -3.651 381 HB2 LYS 50 HB2 LYS 50 4.766 5.322 -2.168 382 HB3 LYS 50 HB3 LYS 50 4.938 3.724 -1.412 383 HG2 LYS 50 HG2 LYS 50 6.809 3.159 -2.778 384 HG3 LYS 50 HG3 LYS 50 6.591 4.587 -3.805 385 HD2 LYS 50 HD2 LYS 50 7.071 6.083 -1.921 386 HD3 LYS 50 HD3 LYS 50 7.239 4.693 -0.824 387 HE2 LYS 50 HE2 LYS 50 9.123 3.843 -2.162 388 HE3 LYS 50 HE3 LYS 50 8.930 5.172 -3.314 389 HZ1 LYS 50 HZ1 LYS 50 9.717 5.455 -0.455 390 HZ2 LYS 50 HZ2 LYS 50 10.683 5.612 -1.767 391 HZ3 LYS 50 HZ3 LYS 50 9.476 6.711 -1.489 392 H PHE 51 H PHE 51 3.230 1.800 -1.906 393 HA PHE 51 HA PHE 51 0.394 2.560 -1.842 394 HB2 PHE 51 HB2 PHE 51 1.893 0.177 -0.754 395 HB3 PHE 51 HB3 PHE 51 0.167 0.429 -0.530 396 HD1 PHE 51 HD2 PHE 51 2.801 -0.089 -3.127 397 HD2 PHE 51 HD1 PHE 51 -1.411 -0.110 -2.271 398 HE1 PHE 51 HE2 PHE 51 2.389 -1.124 -5.324 399 HE2 PHE 51 HE1 PHE 51 -1.819 -1.174 -4.477 400 HZ PHE 51 HZ PHE 51 0.063 -1.667 -6.013 401 HA PRO 52 HA PRO 52 1.043 4.659 2.108 402 HB2 PRO 52 HB2 PRO 52 -1.417 5.770 2.461 403 HB3 PRO 52 HB3 PRO 52 -0.310 6.302 1.167 404 HG2 PRO 52 HG2 PRO 52 -2.641 4.380 0.954 405 HG3 PRO 52 HG3 PRO 52 -2.229 5.738 -0.124 406 HD2 PRO 52 HD2 PRO 52 -1.543 3.141 -0.677 407 HD3 PRO 52 HD3 PRO 52 -0.539 4.534 -1.178 408 H VAL 53 H VAL 53 -1.299 2.090 1.795 409 HA VAL 53 HA VAL 53 -1.256 1.379 4.592 410 HB VAL 53 HB VAL 53 -3.710 1.176 4.824 411 HG11 VAL 53 HG11 VAL 53 -4.095 3.446 5.559 412 HG12 VAL 53 HG12 VAL 53 -2.424 2.986 5.934 413 HG13 VAL 53 HG13 VAL 53 -2.765 4.055 4.559 414 HG21 VAL 53 HG21 VAL 53 -4.348 1.441 2.429 415 HG22 VAL 53 HG22 VAL 53 -5.209 2.551 3.514 416 HG23 VAL 53 HG23 VAL 53 -3.870 3.157 2.522 417 H ASP 54 H ASP 54 -2.603 -0.809 4.783 418 HA ASP 54 HA ASP 54 -1.973 -2.392 2.348 419 HB2 ASP 54 HB2 ASP 54 -1.796 -4.294 3.568 420 HB3 ASP 54 HB3 ASP 54 -1.054 -3.101 4.617 421 H GLY 55 H GLY 55 -3.520 -3.810 1.377 422 HA2 GLY 55 HA2 GLY 55 -6.248 -3.967 2.089 423 HA3 GLY 55 HA3 GLY 55 -6.075 -2.544 1.069 424 H ARG 56 H ARG 56 -7.622 -3.834 -0.154 425 HA ARG 56 HA ARG 56 -6.365 -5.813 -1.997 426 HB2 ARG 56 HB2 ARG 56 -8.289 -6.432 -0.504 427 HB3 ARG 56 HB3 ARG 56 -9.309 -5.347 -1.443 428 HG2 ARG 56 HG2 ARG 56 -8.963 -6.747 -3.453 429 HG3 ARG 56 HG3 ARG 56 -7.783 -7.736 -2.569 430 HD2 ARG 56 HD2 ARG 56 -9.862 -8.935 -2.612 431 HD3 ARG 56 HD3 ARG 56 -9.519 -8.432 -0.967 432 HE ARG 56 HE ARG 56 -11.266 -6.775 -1.086 433 HH11 ARG 56 HH11 ARG 56 -11.461 -9.007 -3.798 434 HH12 ARG 56 HH12 ARG 56 -12.864 -8.210 -4.448 435 HH21 ARG 56 HH21 ARG 56 -13.114 -5.994 -1.784 436 HH22 ARG 56 HH22 ARG 56 -13.936 -6.677 -3.160 437 H VAL 57 H VAL 57 -6.600 -5.744 -4.150 438 HA VAL 57 HA VAL 57 -6.905 -3.121 -5.504 439 HB VAL 57 HB VAL 57 -5.997 -5.848 -6.525 440 HG11 VAL 57 HG11 VAL 57 -6.771 -4.447 -8.364 441 HG12 VAL 57 HG12 VAL 57 -5.783 -3.086 -7.788 442 HG13 VAL 57 HG13 VAL 57 -5.022 -4.569 -8.415 443 HG21 VAL 57 HG21 VAL 57 -4.184 -3.514 -5.852 444 HG22 VAL 57 HG22 VAL 57 -4.373 -4.965 -4.844 445 HG23 VAL 57 HG23 VAL 57 -3.711 -5.101 -6.472 446 H ILE 58 H ILE 58 -8.734 -2.732 -6.747 447 HA ILE 58 HA ILE 58 -10.284 -5.067 -7.799 448 HB ILE 58 HB ILE 58 -12.417 -3.705 -7.216 449 HG12 ILE 58 HG12 ILE 58 -10.615 -2.686 -4.991 450 HG13 ILE 58 HG13 ILE 58 -11.011 -1.702 -6.417 451 HG21 ILE 58 HG21 ILE 58 -10.945 -5.096 -4.950 452 HG22 ILE 58 HG22 ILE 58 -12.696 -4.902 -5.147 453 HG23 ILE 58 HG23 ILE 58 -11.800 -5.922 -6.271 454 HD11 ILE 58 HD11 ILE 58 -12.999 -2.728 -4.353 455 HD12 ILE 58 HD12 ILE 58 -12.492 -1.051 -4.648 456 HD13 ILE 58 HD13 ILE 58 -13.438 -1.904 -5.871 457 H GLU 59 H GLU 59 -8.385 -3.092 -8.933 458 HA GLU 59 HA GLU 59 -9.648 -3.124 -11.478 459 HB2 GLU 59 HB2 GLU 59 -10.356 -0.813 -10.251 460 HB3 GLU 59 HB3 GLU 59 -8.715 -0.361 -10.690 461 HG2 GLU 59 HG2 GLU 59 -9.979 0.380 -12.489 462 HG3 GLU 59 HG3 GLU 59 -9.341 -1.137 -13.103 463 H GLY 60 H GLY 60 -7.971 -3.302 -13.035 464 HA2 GLY 60 HA2 GLY 60 -6.036 -2.435 -14.085 465 HA3 GLY 60 HA3 GLY 60 -5.401 -1.898 -12.552 466 H HIS 61 H HIS 61 -3.652 -2.860 -14.000 467 HA HIS 61 HA HIS 61 -3.012 -5.662 -13.230 468 HB2 HIS 61 HB2 HIS 61 -2.470 -6.186 -15.610 469 HB3 HIS 61 HB3 HIS 61 -4.164 -5.875 -15.293 470 HD1 HIS 61 HD1 HIS 61 -5.291 -3.930 -16.601 471 HD2 HIS 61 HD2 HIS 61 -1.114 -4.151 -17.029 472 HE1 HIS 61 HE1 HIS 61 -4.673 -2.260 -18.417 473 H SER 62 H SER 62 -1.685 -3.387 -12.111 474 HA SER 62 HA SER 62 0.874 -3.080 -13.520 475 HB2 SER 62 HB2 SER 62 -0.015 -2.154 -10.791 476 HB3 SER 62 HB3 SER 62 1.623 -1.986 -11.332 477 HG SER 62 HG SER 62 1.038 -0.268 -12.242 478 H MET 63 H MET 63 2.951 -3.583 -12.673 479 HA MET 63 HA MET 63 2.986 -6.073 -11.030 480 HB2 MET 63 HB2 MET 63 4.166 -6.226 -13.107 481 HB3 MET 63 HB3 MET 63 5.121 -4.778 -12.746 482 HG2 MET 63 HG2 MET 63 6.317 -5.835 -11.031 483 HG3 MET 63 HG3 MET 63 5.149 -7.151 -10.864 484 HE1 MET 63 HE1 MET 63 5.335 -9.397 -11.874 485 HE2 MET 63 HE2 MET 63 4.616 -8.652 -13.325 486 HE3 MET 63 HE3 MET 63 6.029 -9.723 -13.475 487 H VAL 64 H VAL 64 3.832 -6.113 -9.025 488 HA VAL 64 HA VAL 64 4.670 -3.528 -7.762 489 HB VAL 64 HB VAL 64 2.831 -5.705 -6.726 490 HG11 VAL 64 HG11 VAL 64 3.843 -3.235 -5.260 491 HG12 VAL 64 HG12 VAL 64 2.487 -4.244 -4.732 492 HG13 VAL 64 HG13 VAL 64 4.113 -4.934 -4.799 493 HG21 VAL 64 HG21 VAL 64 1.749 -4.117 -8.275 494 HG22 VAL 64 HG22 VAL 64 1.187 -3.831 -6.623 495 HG23 VAL 64 HG23 VAL 64 2.393 -2.752 -7.349 496 H ASP 65 H ASP 65 6.198 -3.480 -6.235 497 HA ASP 65 HA ASP 65 7.995 -5.849 -5.997 498 HB2 ASP 65 HB2 ASP 65 8.770 -3.754 -7.114 499 HB3 ASP 65 HB3 ASP 65 8.548 -2.883 -5.598 500 H GLU 66 H GLU 66 7.668 -6.981 -4.193 501 HA GLU 66 HA GLU 66 7.295 -5.602 -1.585 502 HB2 GLU 66 HB2 GLU 66 5.626 -7.399 -1.019 503 HB3 GLU 66 HB3 GLU 66 5.138 -6.201 -2.208 504 HG2 GLU 66 HG2 GLU 66 5.535 -7.806 -4.037 505 HG3 GLU 66 HG3 GLU 66 6.017 -9.037 -2.851 506 H SER 67 H SER 67 9.611 -7.050 -2.936 507 HA SER 67 HA SER 67 10.295 -9.353 -1.394 508 HB2 SER 67 HB2 SER 67 12.568 -9.108 -2.205 509 HB3 SER 67 HB3 SER 67 11.405 -8.936 -3.513 510 HG SER 67 HG SER 67 13.200 -7.384 -3.380 511 H LEU 68 H LEU 68 10.822 -5.957 -0.535 512 HA LEU 68 HA LEU 68 12.452 -6.679 1.817 513 HB2 LEU 68 HB2 LEU 68 12.792 -4.562 0.729 514 HB3 LEU 68 HB3 LEU 68 11.111 -4.107 0.891 515 HG LEU 68 HG LEU 68 12.625 -2.857 2.338 516 HD11 LEU 68 HD11 LEU 68 10.202 -3.356 3.005 517 HD12 LEU 68 HD12 LEU 68 10.890 -4.443 4.233 518 HD13 LEU 68 HD13 LEU 68 11.308 -2.730 4.241 519 HD21 LEU 68 HD21 LEU 68 14.296 -4.559 2.909 520 HD22 LEU 68 HD22 LEU 68 13.621 -3.790 4.359 521 HD23 LEU 68 HD23 LEU 68 13.097 -5.420 3.902 522 H ILE 69 H ILE 69 9.097 -5.708 1.238 523 HA ILE 69 HA ILE 69 8.342 -5.597 3.997 524 HB ILE 69 HB ILE 69 6.510 -6.065 1.613 525 HG12 ILE 69 HG12 ILE 69 7.964 -3.986 1.361 526 HG13 ILE 69 HG13 ILE 69 6.238 -3.776 1.274 527 HG21 ILE 69 HG21 ILE 69 6.013 -5.143 4.472 528 HG22 ILE 69 HG22 ILE 69 4.843 -4.892 3.171 529 HG23 ILE 69 HG23 ILE 69 5.306 -6.535 3.632 530 HD11 ILE 69 HD11 ILE 69 7.297 -1.978 2.546 531 HD12 ILE 69 HD12 ILE 69 6.144 -2.875 3.533 532 HD13 ILE 69 HD13 ILE 69 7.891 -3.154 3.740 533 H THR 70 H THR 70 7.493 -8.076 1.569 534 HA THR 70 HA THR 70 6.671 -9.955 3.669 535 HB THR 70 HB THR 70 5.773 -11.309 1.902 536 HG1 THR 70 HG1 THR 70 6.949 -9.436 0.100 537 HG21 THR 70 HG21 THR 70 4.135 -9.796 0.949 538 HG22 THR 70 HG22 THR 70 4.451 -9.325 2.624 539 HG23 THR 70 HG23 THR 70 5.152 -8.385 1.285 540 H GLY 71 H GLY 71 9.574 -9.428 2.014 541 HA2 GLY 71 HA2 GLY 71 11.594 -10.594 2.197 542 HA3 GLY 71 HA3 GLY 71 10.770 -11.931 3.002 543 H GLU 72 H GLU 72 9.238 -10.933 0.178 544 HA GLU 72 HA GLU 72 9.555 -13.248 -1.454 545 HB2 GLU 72 HB2 GLU 72 8.420 -10.518 -1.717 546 HB3 GLU 72 HB3 GLU 72 9.056 -11.105 -3.230 547 HG2 GLU 72 HG2 GLU 72 7.011 -12.529 -1.492 548 HG3 GLU 72 HG3 GLU 72 6.684 -11.625 -2.967 549 H ALA 73 H ALA 73 10.345 -12.870 -3.909 550 HA ALA 73 HA ALA 73 13.004 -11.639 -3.972 551 HB1 ALA 73 HB1 ALA 73 12.777 -14.645 -4.319 552 HB2 ALA 73 HB2 ALA 73 14.236 -13.655 -4.548 553 HB3 ALA 73 HB3 ALA 73 13.510 -13.782 -2.941 554 H MET 74 H MET 74 10.174 -12.037 -5.582 555 HA MET 74 HA MET 74 11.444 -10.949 -7.933 556 HB2 MET 74 HB2 MET 74 10.338 -12.388 -9.576 557 HB3 MET 74 HB3 MET 74 11.455 -13.311 -8.576 558 HG2 MET 74 HG2 MET 74 9.507 -14.074 -7.193 559 HG3 MET 74 HG3 MET 74 8.435 -13.235 -8.324 560 HE1 MET 74 HE1 MET 74 8.009 -17.177 -8.818 561 HE2 MET 74 HE2 MET 74 8.508 -16.359 -7.323 562 HE3 MET 74 HE3 MET 74 7.183 -15.688 -8.301 563 HA PRO 75 HA PRO 75 7.889 -8.437 -7.392 564 HB2 PRO 75 HB2 PRO 75 7.551 -7.186 -9.762 565 HB3 PRO 75 HB3 PRO 75 8.964 -6.901 -8.708 566 HG2 PRO 75 HG2 PRO 75 8.780 -8.771 -11.090 567 HG3 PRO 75 HG3 PRO 75 10.044 -7.543 -10.742 568 HD2 PRO 75 HD2 PRO 75 10.355 -10.181 -10.132 569 HD3 PRO 75 HD3 PRO 75 11.011 -8.902 -9.071 570 H VAL 76 H VAL 76 5.665 -8.130 -7.911 571 HA VAL 76 HA VAL 76 4.428 -10.694 -8.842 572 HB VAL 76 HB VAL 76 3.448 -8.802 -6.676 573 HG11 VAL 76 HG11 VAL 76 2.720 -11.661 -7.447 574 HG12 VAL 76 HG12 VAL 76 2.117 -10.799 -6.024 575 HG13 VAL 76 HG13 VAL 76 1.679 -10.230 -7.637 576 HG21 VAL 76 HG21 VAL 76 5.585 -9.778 -5.920 577 HG22 VAL 76 HG22 VAL 76 4.235 -10.517 -5.065 578 HG23 VAL 76 HG23 VAL 76 5.012 -11.398 -6.391 579 H ALA 77 H ALA 77 2.908 -10.669 -10.400 580 HA ALA 77 HA ALA 77 1.905 -8.118 -11.461 581 HB1 ALA 77 HB1 ALA 77 0.806 -9.558 -13.122 582 HB2 ALA 77 HB2 ALA 77 2.531 -9.948 -12.977 583 HB3 ALA 77 HB3 ALA 77 1.315 -11.004 -12.224 584 H LYS 78 H LYS 78 0.030 -7.163 -10.967 585 HA LYS 78 HA LYS 78 -1.857 -8.526 -9.098 586 HB2 LYS 78 HB2 LYS 78 -1.473 -5.572 -9.704 587 HB3 LYS 78 HB3 LYS 78 -2.535 -6.240 -8.469 588 HG2 LYS 78 HG2 LYS 78 0.510 -6.524 -8.490 589 HG3 LYS 78 HG3 LYS 78 -0.392 -5.322 -7.579 590 HD2 LYS 78 HD2 LYS 78 -1.473 -7.052 -6.248 591 HD3 LYS 78 HD3 LYS 78 -0.756 -8.330 -7.252 592 HE2 LYS 78 HE2 LYS 78 1.507 -7.661 -6.536 593 HE3 LYS 78 HE3 LYS 78 0.819 -6.415 -5.490 594 HZ1 LYS 78 HZ1 LYS 78 0.284 -9.335 -5.197 595 HZ2 LYS 78 HZ2 LYS 78 1.366 -8.464 -4.292 596 HZ3 LYS 78 HZ3 LYS 78 -0.258 -8.168 -4.193 597 H LYS 79 H LYS 79 -4.107 -7.913 -9.239 598 HA LYS 79 HA LYS 79 -5.314 -7.385 -11.862 599 HB2 LYS 79 HB2 LYS 79 -6.602 -9.500 -11.857 600 HB3 LYS 79 HB3 LYS 79 -4.890 -9.806 -12.025 601 HG2 LYS 79 HG2 LYS 79 -4.698 -10.665 -9.799 602 HG3 LYS 79 HG3 LYS 79 -6.251 -9.977 -9.325 603 HD2 LYS 79 HD2 LYS 79 -6.512 -12.343 -9.541 604 HD3 LYS 79 HD3 LYS 79 -7.493 -11.475 -10.709 605 HE2 LYS 79 HE2 LYS 79 -6.595 -13.338 -11.841 606 HE3 LYS 79 HE3 LYS 79 -5.752 -11.905 -12.455 607 HZ1 LYS 79 HZ1 LYS 79 -4.384 -13.934 -11.900 608 HZ2 LYS 79 HZ2 LYS 79 -3.818 -12.513 -11.301 609 HZ3 LYS 79 HZ3 LYS 79 -4.601 -13.598 -10.308 610 HA PRO 80 HA PRO 80 -8.652 -6.093 -9.021 611 HB2 PRO 80 HB2 PRO 80 -10.958 -6.958 -10.295 612 HB3 PRO 80 HB3 PRO 80 -10.063 -5.479 -10.752 613 HG2 PRO 80 HG2 PRO 80 -9.846 -8.236 -11.999 614 HG3 PRO 80 HG3 PRO 80 -10.045 -6.654 -12.822 615 HD2 PRO 80 HD2 PRO 80 -7.608 -7.768 -12.608 616 HD3 PRO 80 HD3 PRO 80 -7.807 -6.019 -12.332 617 H GLY 81 H GLY 81 -9.283 -7.159 -7.186 618 HA2 GLY 81 HA2 GLY 81 -9.792 -8.915 -5.741 619 HA3 GLY 81 HA3 GLY 81 -9.816 -10.063 -7.082 620 H SER 82 H SER 82 -7.233 -7.813 -5.963 621 HA SER 82 HA SER 82 -5.427 -10.137 -5.324 622 HB2 SER 82 HB2 SER 82 -5.003 -9.121 -7.576 623 HB3 SER 82 HB3 SER 82 -4.679 -7.577 -6.783 624 HG SER 82 HG SER 82 -3.214 -9.999 -6.583 625 H THR 83 H THR 83 -3.780 -9.690 -3.587 626 HA THR 83 HA THR 83 -4.614 -7.408 -1.873 627 HB THR 83 HB THR 83 -3.519 -8.590 -0.058 628 HG1 THR 83 HG1 THR 83 -2.813 -10.726 -0.437 629 HG21 THR 83 HG21 THR 83 -5.107 -10.413 0.182 630 HG22 THR 83 HG22 THR 83 -5.934 -9.051 -0.597 631 HG23 THR 83 HG23 THR 83 -5.415 -10.447 -1.564 632 H VAL 84 H VAL 84 -3.251 -5.957 -0.994 633 HA VAL 84 HA VAL 84 -0.381 -5.981 -1.750 634 HB VAL 84 HB VAL 84 -0.544 -3.504 -2.170 635 HG11 VAL 84 HG11 VAL 84 -0.298 -5.112 -4.001 636 HG12 VAL 84 HG12 VAL 84 -2.062 -5.282 -4.116 637 HG13 VAL 84 HG13 VAL 84 -1.290 -3.730 -4.489 638 HG21 VAL 84 HG21 VAL 84 -2.795 -3.119 -1.140 639 HG22 VAL 84 HG22 VAL 84 -2.673 -2.511 -2.790 640 HG23 VAL 84 HG23 VAL 84 -3.534 -4.022 -2.480 641 H ILE 85 H ILE 85 1.020 -4.793 -0.473 642 HA ILE 85 HA ILE 85 -0.027 -3.927 2.183 643 HB ILE 85 HB ILE 85 2.538 -4.286 2.839 644 HG12 ILE 85 HG12 ILE 85 3.337 -6.493 2.097 645 HG13 ILE 85 HG13 ILE 85 2.067 -6.587 0.886 646 HG21 ILE 85 HG21 ILE 85 0.412 -6.435 2.920 647 HG22 ILE 85 HG22 ILE 85 1.869 -6.332 3.940 648 HG23 ILE 85 HG23 ILE 85 0.626 -5.080 4.056 649 HD11 ILE 85 HD11 ILE 85 4.337 -5.820 0.052 650 HD12 ILE 85 HD12 ILE 85 3.008 -4.713 -0.330 651 HD13 ILE 85 HD13 ILE 85 4.111 -4.330 0.992 652 H ALA 86 H ALA 86 0.683 -2.159 3.163 653 HA ALA 86 HA ALA 86 1.391 0.149 1.733 654 HB1 ALA 86 HB1 ALA 86 0.398 0.059 4.020 655 HB2 ALA 86 HB2 ALA 86 1.906 -0.554 4.656 656 HB3 ALA 86 HB3 ALA 86 1.835 1.087 3.964 657 H GLY 87 H GLY 87 3.297 1.195 1.317 658 HA2 GLY 87 HA2 GLY 87 5.554 1.666 1.291 659 HA3 GLY 87 HA3 GLY 87 5.871 0.306 2.376 660 H SER 88 H SER 88 4.192 -1.099 -0.127 661 HA SER 88 HA SER 88 6.611 -1.998 -1.542 662 HB2 SER 88 HB2 SER 88 5.023 -3.226 -3.004 663 HB3 SER 88 HB3 SER 88 4.946 -3.668 -1.310 664 HG SER 88 HG SER 88 2.983 -2.525 -1.137 665 H ILE 89 H ILE 89 6.846 -1.734 -3.868 666 HA ILE 89 HA ILE 89 6.027 1.007 -4.742 667 HB ILE 89 HB ILE 89 8.234 -0.335 -6.200 668 HG12 ILE 89 HG12 ILE 89 8.941 -0.966 -3.940 669 HG13 ILE 89 HG13 ILE 89 10.009 0.185 -4.708 670 HG21 ILE 89 HG21 ILE 89 9.128 2.001 -6.133 671 HG22 ILE 89 HG22 ILE 89 7.500 1.904 -6.806 672 HG23 ILE 89 HG23 ILE 89 7.726 2.488 -5.148 673 HD11 ILE 89 HD11 ILE 89 7.945 0.975 -2.616 674 HD12 ILE 89 HD12 ILE 89 9.655 0.638 -2.300 675 HD13 ILE 89 HD13 ILE 89 9.205 2.007 -3.328 676 H ASN 90 H ASN 90 5.250 1.398 -6.828 677 HA ASN 90 HA ASN 90 4.039 -0.979 -8.145 678 HB2 ASN 90 HB2 ASN 90 2.654 0.838 -7.027 679 HB3 ASN 90 HB3 ASN 90 3.244 1.955 -8.249 680 HD21 ASN 90 HD22 ASN 90 1.397 2.317 -9.514 681 HD22 ASN 90 HD21 ASN 90 0.476 0.989 -10.212 682 H GLN 91 H GLN 91 3.924 -1.206 -10.370 683 HA GLN 91 HA GLN 91 5.596 0.557 -12.115 684 HB2 GLN 91 HB2 GLN 91 6.145 -2.017 -11.664 685 HB3 GLN 91 HB3 GLN 91 4.842 -2.277 -12.813 686 HG2 GLN 91 HG2 GLN 91 6.826 -2.385 -14.062 687 HG3 GLN 91 HG3 GLN 91 6.199 -0.799 -14.446 688 HE21 GLN 91 HE22 GLN 91 7.316 1.090 -13.427 689 HE22 GLN 91 HE21 GLN 91 8.911 0.917 -12.712 690 H ASN 92 H ASN 92 4.469 -0.241 -14.649 691 HA ASN 92 HA ASN 92 2.166 1.440 -14.661 692 HB2 ASN 92 HB2 ASN 92 4.092 1.325 -16.297 693 HB3 ASN 92 HB3 ASN 92 3.454 -0.205 -16.878 694 HD21 ASN 92 HD22 ASN 92 1.322 -0.209 -17.949 695 HD22 ASN 92 HD21 ASN 92 0.637 1.311 -18.526 696 H GLY 93 H GLY 93 -0.006 0.889 -15.352 697 HA2 GLY 93 HA2 GLY 93 -1.355 -1.069 -16.104 698 HA3 GLY 93 HA3 GLY 93 -0.736 -1.872 -14.660 699 H SER 94 H SER 94 -1.286 1.502 -14.264 700 HA SER 94 HA SER 94 -2.453 2.443 -12.455 701 HB2 SER 94 HB2 SER 94 -3.961 2.259 -15.041 702 HB3 SER 94 HB3 SER 94 -4.708 3.082 -13.656 703 HG SER 94 HG SER 94 -3.394 4.417 -15.051 704 H LEU 95 H LEU 95 -2.727 1.111 -10.728 705 HA LEU 95 HA LEU 95 -5.112 -0.624 -10.588 706 HB2 LEU 95 HB2 LEU 95 -3.019 -0.105 -8.490 707 HB3 LEU 95 HB3 LEU 95 -4.269 -1.325 -8.398 708 HG LEU 95 HG LEU 95 -1.860 -1.261 -10.234 709 HD11 LEU 95 HD11 LEU 95 -2.590 -3.099 -7.914 710 HD12 LEU 95 HD12 LEU 95 -1.117 -3.189 -8.912 711 HD13 LEU 95 HD13 LEU 95 -1.382 -1.789 -7.869 712 HD21 LEU 95 HD21 LEU 95 -4.217 -3.155 -10.072 713 HD22 LEU 95 HD22 LEU 95 -3.497 -2.334 -11.469 714 HD23 LEU 95 HD23 LEU 95 -2.648 -3.692 -10.683 715 H LEU 96 H LEU 96 -6.768 -0.405 -9.071 716 HA LEU 96 HA LEU 96 -6.736 2.032 -7.352 717 HB2 LEU 96 HB2 LEU 96 -9.182 1.002 -8.826 718 HB3 LEU 96 HB3 LEU 96 -9.212 2.075 -7.441 719 HG LEU 96 HG LEU 96 -7.548 3.571 -8.870 720 HD11 LEU 96 HD11 LEU 96 -9.114 2.096 -11.029 721 HD12 LEU 96 HD12 LEU 96 -8.144 3.552 -11.270 722 HD13 LEU 96 HD13 LEU 96 -7.355 2.035 -10.821 723 HD21 LEU 96 HD21 LEU 96 -10.535 3.409 -9.410 724 HD22 LEU 96 HD22 LEU 96 -9.747 4.296 -8.087 725 HD23 LEU 96 HD23 LEU 96 -9.489 4.803 -9.761 726 H ILE 97 H ILE 97 -6.901 1.722 -5.333 727 HA ILE 97 HA ILE 97 -7.268 -1.041 -4.297 728 HB ILE 97 HB ILE 97 -5.877 1.273 -2.927 729 HG12 ILE 97 HG12 ILE 97 -4.709 1.225 -5.001 730 HG13 ILE 97 HG13 ILE 97 -3.706 0.548 -3.740 731 HG21 ILE 97 HG21 ILE 97 -5.528 -1.740 -2.672 732 HG22 ILE 97 HG22 ILE 97 -4.637 -0.506 -1.759 733 HG23 ILE 97 HG23 ILE 97 -6.382 -0.687 -1.534 734 HD11 ILE 97 HD11 ILE 97 -3.535 -0.701 -5.865 735 HD12 ILE 97 HD12 ILE 97 -4.138 -1.716 -4.537 736 HD13 ILE 97 HD13 ILE 97 -5.253 -1.111 -5.780 737 H CYS 98 H CYS 98 -8.973 -1.485 -2.909 738 HA CYS 98 HA CYS 98 -10.529 0.758 -1.765 739 HB2 CYS 98 HB2 CYS 98 -11.888 -1.080 -0.731 740 HB3 CYS 98 HB3 CYS 98 -11.915 -0.993 -2.492 741 HG CYS 98 HG CYS 98 -11.923 -3.528 -1.376 742 H ALA 99 H ALA 99 -9.464 1.862 -0.213 743 HA ALA 99 HA ALA 99 -7.691 0.546 1.666 744 HB1 ALA 99 HB1 ALA 99 -7.284 2.829 0.884 745 HB2 ALA 99 HB2 ALA 99 -8.843 3.367 1.558 746 HB3 ALA 99 HB3 ALA 99 -7.549 2.818 2.642 747 H THR 100 H THR 100 -8.532 -0.787 3.109 748 HA THR 100 HA THR 100 -10.943 -0.003 4.690 749 HB THR 100 HB THR 100 -11.342 -2.377 5.060 750 HG1 THR 100 HG1 THR 100 -9.894 -3.715 4.647 751 HG21 THR 100 HG21 THR 100 -12.439 -1.311 3.145 752 HG22 THR 100 HG22 THR 100 -11.039 -1.657 2.109 753 HG23 THR 100 HG23 THR 100 -11.996 -2.987 2.768 754 H HIS 101 H HIS 101 -7.905 0.491 5.193 755 HA HIS 101 HA HIS 101 -7.968 -0.067 8.089 756 HB2 HIS 101 HB2 HIS 101 -5.559 -0.589 6.297 757 HB3 HIS 101 HB3 HIS 101 -5.710 -0.942 8.009 758 HD1 HIS 101 HD1 HIS 101 -6.133 -2.494 4.652 759 HD2 HIS 101 HD2 HIS 101 -7.278 -3.149 8.641 760 HE1 HIS 101 HE1 HIS 101 -6.924 -4.911 4.765 761 H VAL 102 H VAL 102 -6.887 1.506 9.265 762 HA VAL 102 HA VAL 102 -5.404 3.646 7.779 763 HB VAL 102 HB VAL 102 -5.531 5.000 9.788 764 HG11 VAL 102 HG11 VAL 102 -8.261 4.079 8.819 765 HG12 VAL 102 HG12 VAL 102 -7.817 5.658 9.510 766 HG13 VAL 102 HG13 VAL 102 -7.147 5.175 7.947 767 HG21 VAL 102 HG21 VAL 102 -5.828 3.230 11.517 768 HG22 VAL 102 HG22 VAL 102 -7.081 4.483 11.597 769 HG23 VAL 102 HG23 VAL 102 -7.457 2.912 10.872 770 H GLY 103 H GLY 103 -3.411 4.495 9.120 771 HA2 GLY 103 HA2 GLY 103 -1.489 2.510 8.590 772 HA3 GLY 103 HA3 GLY 103 -1.211 3.975 9.506 773 H ALA 104 H ALA 104 -2.746 3.559 11.798 774 HA ALA 104 HA ALA 104 -1.014 1.932 13.361 775 HB1 ALA 104 HB1 ALA 104 -3.797 2.992 13.998 776 HB2 ALA 104 HB2 ALA 104 -2.566 2.499 15.183 777 HB3 ALA 104 HB3 ALA 104 -2.286 3.916 14.149 778 H ASP 105 H ASP 105 -3.959 0.990 11.659 779 HA ASP 105 HA ASP 105 -4.269 -1.568 13.065 780 HB2 ASP 105 HB2 ASP 105 -6.076 -0.093 11.839 781 HB3 ASP 105 HB3 ASP 105 -5.501 -0.916 10.394 782 H THR 106 H THR 106 -2.276 -0.413 10.445 783 HA THR 106 HA THR 106 -2.625 -2.459 8.569 784 HB THR 106 HB THR 106 -0.406 -1.854 7.618 785 HG1 THR 106 HG1 THR 106 -0.343 -0.003 9.749 786 HG21 THR 106 HG21 THR 106 -2.349 -0.659 6.879 787 HG22 THR 106 HG22 THR 106 -2.267 0.435 8.263 788 HG23 THR 106 HG23 THR 106 -0.979 0.465 7.036 789 H THR 107 H THR 107 -1.679 -4.298 7.933 790 HA THR 107 HA THR 107 -0.524 -6.080 9.872 791 HB THR 107 HB THR 107 -1.802 -6.748 7.849 792 HG1 THR 107 HG1 THR 107 -0.684 -8.575 7.548 793 HG21 THR 107 HG21 THR 107 0.809 -6.404 6.324 794 HG22 THR 107 HG22 THR 107 -0.738 -7.017 5.710 795 HG23 THR 107 HG23 THR 107 -0.588 -5.314 6.164 796 H LEU 108 H LEU 108 0.985 -3.897 7.520 797 HA LEU 108 HA LEU 108 3.690 -4.489 7.809 798 HB2 LEU 108 HB2 LEU 108 2.602 -2.806 6.279 799 HB3 LEU 108 HB3 LEU 108 2.262 -1.785 7.676 800 HG LEU 108 HG LEU 108 4.746 -1.574 8.075 801 HD11 LEU 108 HD11 LEU 108 4.838 -3.034 5.394 802 HD12 LEU 108 HD12 LEU 108 6.217 -2.194 6.149 803 HD13 LEU 108 HD13 LEU 108 5.498 -3.611 6.943 804 HD21 LEU 108 HD21 LEU 108 5.106 0.025 6.351 805 HD22 LEU 108 HD22 LEU 108 4.004 -0.774 5.246 806 HD23 LEU 108 HD23 LEU 108 3.372 0.064 6.698 807 H SER 109 H SER 109 1.616 -2.518 9.980 808 HA SER 109 HA SER 109 3.746 -1.961 11.857 809 HB2 SER 109 HB2 SER 109 2.222 -0.811 13.138 810 HB3 SER 109 HB3 SER 109 1.696 -0.528 11.478 811 HG SER 109 HG SER 109 0.165 -2.319 11.851 812 H GLN 110 H GLN 110 1.641 -4.731 11.402 813 HA GLN 110 HA GLN 110 1.840 -5.683 14.156 814 HB2 GLN 110 HB2 GLN 110 -0.088 -6.237 12.692 815 HB3 GLN 110 HB3 GLN 110 0.974 -7.140 11.637 816 HG2 GLN 110 HG2 GLN 110 -0.139 -8.679 13.068 817 HG3 GLN 110 HG3 GLN 110 1.572 -8.689 13.486 818 HE21 GLN 110 HE22 GLN 110 -1.520 -7.060 14.387 819 HE22 GLN 110 HE21 GLN 110 -0.969 -6.727 16.043 820 H ILE 111 H ILE 111 3.500 -6.317 11.087 821 HA ILE 111 HA ILE 111 5.295 -8.345 11.925 822 HB ILE 111 HB ILE 111 5.756 -6.040 9.989 823 HG12 ILE 111 HG12 ILE 111 5.140 -8.975 9.410 824 HG13 ILE 111 HG13 ILE 111 3.901 -7.731 9.486 825 HG21 ILE 111 HG21 ILE 111 7.953 -6.893 10.738 826 HG22 ILE 111 HG22 ILE 111 7.435 -8.561 10.386 827 HG23 ILE 111 HG23 ILE 111 7.645 -7.375 9.083 828 HD11 ILE 111 HD11 ILE 111 5.047 -6.481 7.643 829 HD12 ILE 111 HD12 ILE 111 6.172 -7.850 7.469 830 HD13 ILE 111 HD13 ILE 111 4.444 -8.084 7.181 831 H VAL 112 H VAL 112 6.012 -4.798 11.974 832 HA VAL 112 HA VAL 112 8.264 -5.089 13.665 833 HB VAL 112 HB VAL 112 8.211 -2.665 13.946 834 HG11 VAL 112 HG11 VAL 112 7.609 -3.560 11.086 835 HG12 VAL 112 HG12 VAL 112 8.441 -2.076 11.582 836 HG13 VAL 112 HG13 VAL 112 9.188 -3.645 11.904 837 HG21 VAL 112 HG21 VAL 112 5.639 -2.707 12.347 838 HG22 VAL 112 HG22 VAL 112 5.748 -2.294 14.077 839 HG23 VAL 112 HG23 VAL 112 6.536 -1.270 12.872 840 H LYS 113 H LYS 113 4.914 -5.057 14.632 841 HA LYS 113 HA LYS 113 5.501 -4.456 17.455 842 HB2 LYS 113 HB2 LYS 113 3.084 -5.572 16.047 843 HB3 LYS 113 HB3 LYS 113 3.238 -5.652 17.804 844 HG2 LYS 113 HG2 LYS 113 3.583 -3.225 17.954 845 HG3 LYS 113 HG3 LYS 113 3.437 -3.070 16.203 846 HD2 LYS 113 HD2 LYS 113 1.255 -4.045 18.105 847 HD3 LYS 113 HD3 LYS 113 1.361 -2.439 17.363 848 HE2 LYS 113 HE2 LYS 113 1.401 -3.666 15.100 849 HE3 LYS 113 HE3 LYS 113 0.900 -5.112 15.998 850 HZ1 LYS 113 HZ1 LYS 113 -1.028 -3.893 15.095 851 HZ2 LYS 113 HZ2 LYS 113 -1.075 -3.865 16.736 852 HZ3 LYS 113 HZ3 LYS 113 -0.569 -2.540 15.894 853 H LEU 114 H LEU 114 5.282 -7.432 15.453 854 HA LEU 114 HA LEU 114 5.726 -9.217 17.682 855 HB2 LEU 114 HB2 LEU 114 5.508 -9.358 14.694 856 HB3 LEU 114 HB3 LEU 114 6.333 -10.699 15.490 857 HG LEU 114 HG LEU 114 3.535 -9.724 16.095 858 HD11 LEU 114 HD11 LEU 114 4.494 -12.124 14.483 859 HD12 LEU 114 HD12 LEU 114 2.798 -11.767 14.903 860 HD13 LEU 114 HD13 LEU 114 3.700 -10.675 13.843 861 HD21 LEU 114 HD21 LEU 114 3.344 -11.995 17.223 862 HD22 LEU 114 HD22 LEU 114 5.094 -12.203 17.003 863 HD23 LEU 114 HD23 LEU 114 4.462 -10.911 18.045 864 H VAL 115 H VAL 115 7.974 -7.822 15.206 865 HA VAL 115 HA VAL 115 10.271 -9.260 16.220 866 HB VAL 115 HB VAL 115 10.158 -6.612 14.728 867 HG11 VAL 115 HG11 VAL 115 12.492 -8.531 15.189 868 HG12 VAL 115 HG12 VAL 115 12.511 -7.158 14.061 869 HG13 VAL 115 HG13 VAL 115 12.375 -6.862 15.792 870 HG21 VAL 115 HG21 VAL 115 10.640 -9.456 13.732 871 HG22 VAL 115 HG22 VAL 115 9.200 -8.469 13.414 872 HG23 VAL 115 HG23 VAL 115 10.753 -7.981 12.752 873 H GLU 116 H GLU 116 8.567 -6.519 17.417 874 HA GLU 116 HA GLU 116 10.685 -5.563 19.238 875 HB2 GLU 116 HB2 GLU 116 9.147 -4.005 18.154 876 HB3 GLU 116 HB3 GLU 116 7.775 -4.811 18.897 877 HG2 GLU 116 HG2 GLU 116 8.576 -4.068 21.135 878 HG3 GLU 116 HG3 GLU 116 9.967 -3.285 20.360 879 H GLU 117 H GLU 117 7.951 -7.849 19.313 880 HA GLU 117 HA GLU 117 7.870 -8.112 22.227 881 HB2 GLU 117 HB2 GLU 117 6.776 -9.807 19.949 882 HB3 GLU 117 HB3 GLU 117 6.506 -10.171 21.642 883 HG2 GLU 117 HG2 GLU 117 5.722 -7.440 20.679 884 HG3 GLU 117 HG3 GLU 117 4.776 -8.828 20.153 885 H ALA 118 H ALA 118 9.741 -9.617 19.601 886 HA ALA 118 HA ALA 118 10.238 -12.082 20.971 887 HB1 ALA 118 HB1 ALA 118 11.754 -10.723 18.703 888 HB2 ALA 118 HB2 ALA 118 11.894 -12.430 19.188 889 HB3 ALA 118 HB3 ALA 118 10.363 -11.815 18.538 890 H GLN 119 H GLN 119 12.542 -9.350 20.429 891 HA GLN 119 HA GLN 119 14.357 -9.847 22.447 892 HB2 GLN 119 HB2 GLN 119 13.303 -7.279 21.201 893 HB3 GLN 119 HB3 GLN 119 14.622 -7.259 22.320 894 HG2 GLN 119 HG2 GLN 119 16.064 -7.613 20.680 895 HG3 GLN 119 HG3 GLN 119 15.405 -9.240 20.481 896 HE21 GLN 119 HE22 GLN 119 14.051 -9.684 18.729 897 HE22 GLN 119 HE21 GLN 119 13.164 -8.354 17.980 Start of MODEL 14 1 H SER 1 H SER 1 18.844 -3.522 13.277 2 HA SER 1 HA SER 1 16.464 -2.412 14.601 3 HB2 SER 1 HB2 SER 1 18.247 -0.742 15.516 4 HB3 SER 1 HB3 SER 1 18.138 -2.393 16.126 5 HG SER 1 HG SER 1 19.866 -2.980 15.113 6 H GLU 2 H GLU 2 18.711 -1.179 12.030 7 HA GLU 2 HA GLU 2 17.055 1.270 11.737 8 HB2 GLU 2 HB2 GLU 2 19.174 0.004 9.954 9 HB3 GLU 2 HB3 GLU 2 18.164 1.348 9.448 10 HG2 GLU 2 HG2 GLU 2 20.156 2.340 10.189 11 HG3 GLU 2 HG3 GLU 2 18.948 2.682 11.423 12 H ALA 3 H ALA 3 17.268 -1.950 10.175 13 HA ALA 3 HA ALA 3 15.154 -1.735 8.404 14 HB1 ALA 3 HB1 ALA 3 15.825 -4.202 10.032 15 HB2 ALA 3 HB2 ALA 3 15.091 -4.132 8.428 16 HB3 ALA 3 HB3 ALA 3 16.775 -3.632 8.635 17 H LEU 4 H LEU 4 14.843 -2.063 11.958 18 HA LEU 4 HA LEU 4 12.056 -2.693 11.964 19 HB2 LEU 4 HB2 LEU 4 13.611 -2.959 13.922 20 HB3 LEU 4 HB3 LEU 4 13.687 -1.212 14.059 21 HG LEU 4 HG LEU 4 11.292 -1.091 14.587 22 HD11 LEU 4 HD11 LEU 4 11.461 -4.118 14.446 23 HD12 LEU 4 HD12 LEU 4 10.088 -3.206 15.138 24 HD13 LEU 4 HD13 LEU 4 10.475 -3.061 13.417 25 HD21 LEU 4 HD21 LEU 4 12.934 -1.317 16.412 26 HD22 LEU 4 HD22 LEU 4 11.401 -2.114 16.804 27 HD23 LEU 4 HD23 LEU 4 12.807 -3.089 16.311 28 H ALA 5 H ALA 5 13.737 0.431 11.567 29 HA ALA 5 HA ALA 5 11.247 1.991 11.784 30 HB1 ALA 5 HB1 ALA 5 12.713 3.863 11.161 31 HB2 ALA 5 HB2 ALA 5 13.383 2.980 12.542 32 HB3 ALA 5 HB3 ALA 5 14.077 2.753 10.920 33 H LYS 6 H LYS 6 13.489 0.671 9.332 34 HA LYS 6 HA LYS 6 12.647 1.893 7.110 35 HB2 LYS 6 HB2 LYS 6 14.556 0.291 7.501 36 HB3 LYS 6 HB3 LYS 6 13.437 -1.025 7.082 37 HG2 LYS 6 HG2 LYS 6 13.139 -0.113 4.852 38 HG3 LYS 6 HG3 LYS 6 13.959 1.392 5.295 39 HD2 LYS 6 HD2 LYS 6 15.503 0.130 3.999 40 HD3 LYS 6 HD3 LYS 6 16.066 0.072 5.672 41 HE2 LYS 6 HE2 LYS 6 14.899 -2.198 5.857 42 HE3 LYS 6 HE3 LYS 6 14.586 -2.091 4.111 43 HZ1 LYS 6 HZ1 LYS 6 17.249 -2.122 5.428 44 HZ2 LYS 6 HZ2 LYS 6 16.655 -3.297 4.438 45 HZ3 LYS 6 HZ3 LYS 6 17.055 -1.814 3.849 46 H LEU 7 H LEU 7 10.904 -0.978 8.375 47 HA LEU 7 HA LEU 7 9.072 -1.434 6.307 48 HB2 LEU 7 HB2 LEU 7 8.713 -1.416 9.329 49 HB3 LEU 7 HB3 LEU 7 7.365 -1.770 8.273 50 HG LEU 7 HG LEU 7 8.325 -3.782 9.202 51 HD11 LEU 7 HD11 LEU 7 8.683 -3.599 6.191 52 HD12 LEU 7 HD12 LEU 7 8.620 -5.099 7.133 53 HD13 LEU 7 HD13 LEU 7 7.219 -4.035 7.113 54 HD21 LEU 7 HD21 LEU 7 10.640 -3.123 9.405 55 HD22 LEU 7 HD22 LEU 7 10.478 -4.655 8.530 56 HD23 LEU 7 HD23 LEU 7 10.841 -3.175 7.623 57 H ILE 8 H ILE 8 8.798 1.049 8.827 58 HA ILE 8 HA ILE 8 6.363 2.243 7.783 59 HB ILE 8 HB ILE 8 8.382 3.220 9.823 60 HG12 ILE 8 HG12 ILE 8 7.272 1.173 10.518 61 HG13 ILE 8 HG13 ILE 8 6.757 2.535 11.501 62 HG21 ILE 8 HG21 ILE 8 5.677 4.372 9.086 63 HG22 ILE 8 HG22 ILE 8 6.569 4.778 10.572 64 HG23 ILE 8 HG23 ILE 8 7.257 5.177 8.992 65 HD11 ILE 8 HD11 ILE 8 4.868 1.084 11.048 66 HD12 ILE 8 HD12 ILE 8 4.603 2.606 10.188 67 HD13 ILE 8 HD13 ILE 8 5.147 1.158 9.304 68 H SER 9 H SER 9 9.770 2.707 7.075 69 HA SER 9 HA SER 9 9.466 5.368 5.894 70 HB2 SER 9 HB2 SER 9 11.725 3.339 5.666 71 HB3 SER 9 HB3 SER 9 11.765 4.999 5.090 72 HG SER 9 HG SER 9 12.784 4.598 7.106 73 H LEU 10 H LEU 10 9.296 1.978 4.751 74 HA LEU 10 HA LEU 10 9.394 2.648 1.948 75 HB2 LEU 10 HB2 LEU 10 8.470 0.220 3.510 76 HB3 LEU 10 HB3 LEU 10 7.972 0.413 1.847 77 HG LEU 10 HG LEU 10 10.491 0.772 1.282 78 HD11 LEU 10 HD11 LEU 10 10.651 -0.727 3.924 79 HD12 LEU 10 HD12 LEU 10 11.981 -0.550 2.746 80 HD13 LEU 10 HD13 LEU 10 11.340 0.881 3.558 81 HD21 LEU 10 HD21 LEU 10 9.220 -1.142 0.487 82 HD22 LEU 10 HD22 LEU 10 10.790 -1.686 1.067 83 HD23 LEU 10 HD23 LEU 10 9.337 -1.928 2.071 84 H GLN 11 H GLN 11 6.696 2.788 4.279 85 HA GLN 11 HA GLN 11 4.588 2.749 2.333 86 HB2 GLN 11 HB2 GLN 11 4.635 3.991 5.098 87 HB3 GLN 11 HB3 GLN 11 3.204 3.747 4.079 88 HG2 GLN 11 HG2 GLN 11 3.570 1.298 4.172 89 HG3 GLN 11 HG3 GLN 11 4.939 1.557 5.263 90 HE21 GLN 11 HE22 GLN 11 1.342 2.376 5.010 91 HE22 GLN 11 HE21 GLN 11 1.182 2.296 6.758 92 H ALA 12 H ALA 12 3.392 4.377 1.436 93 HA ALA 12 HA ALA 12 4.914 6.283 0.134 94 HB1 ALA 12 HB1 ALA 12 1.892 6.196 0.411 95 HB2 ALA 12 HB2 ALA 12 2.810 6.918 -0.921 96 HB3 ALA 12 HB3 ALA 12 2.851 5.163 -0.685 97 H THR 13 H THR 13 3.196 6.938 3.149 98 HA THR 13 HA THR 13 3.101 8.757 4.492 99 HB THR 13 HB THR 13 4.950 10.240 2.610 100 HG1 THR 13 HG1 THR 13 6.559 9.383 3.616 101 HG21 THR 13 HG21 THR 13 3.945 11.791 4.164 102 HG22 THR 13 HG22 THR 13 4.246 10.689 5.533 103 HG23 THR 13 HG23 THR 13 5.599 11.469 4.686 104 H GLU 14 H GLU 14 2.485 9.293 1.083 105 HA GLU 14 HA GLU 14 0.062 10.867 1.761 106 HB2 GLU 14 HB2 GLU 14 0.467 12.440 0.003 107 HB3 GLU 14 HB3 GLU 14 1.865 12.409 1.081 108 HG2 GLU 14 HG2 GLU 14 3.132 11.066 -0.550 109 HG3 GLU 14 HG3 GLU 14 1.722 10.999 -1.620 110 H ALA 15 H ALA 15 -1.638 10.876 0.067 111 HA ALA 15 HA ALA 15 -1.565 8.634 -1.841 112 HB1 ALA 15 HB1 ALA 15 -2.345 7.683 0.301 113 HB2 ALA 15 HB2 ALA 15 -3.632 8.908 0.377 114 HB3 ALA 15 HB3 ALA 15 -3.632 7.689 -0.915 115 H THR 16 H THR 16 -3.388 8.594 -3.244 116 HA THR 16 HA THR 16 -4.871 11.198 -3.638 117 HB THR 16 HB THR 16 -4.187 9.180 -5.796 118 HG1 THR 16 HG1 THR 16 -2.420 10.547 -5.163 119 HG21 THR 16 HG21 THR 16 -5.046 10.990 -7.321 120 HG22 THR 16 HG22 THR 16 -6.318 10.308 -6.308 121 HG23 THR 16 HG23 THR 16 -5.603 11.885 -5.895 122 H ILE 17 H ILE 17 -6.910 11.009 -2.828 123 HA ILE 17 HA ILE 17 -8.401 8.438 -2.959 124 HB ILE 17 HB ILE 17 -9.265 11.113 -1.802 125 HG12 ILE 17 HG12 ILE 17 -8.283 8.755 -0.169 126 HG13 ILE 17 HG13 ILE 17 -7.275 10.144 -0.570 127 HG21 ILE 17 HG21 ILE 17 -11.190 9.762 -2.352 128 HG22 ILE 17 HG22 ILE 17 -10.439 8.311 -1.654 129 HG23 ILE 17 HG23 ILE 17 -10.992 9.647 -0.627 130 HD11 ILE 17 HD11 ILE 17 -9.829 10.227 1.083 131 HD12 ILE 17 HD12 ILE 17 -8.181 10.432 1.654 132 HD13 ILE 17 HD13 ILE 17 -8.893 11.649 0.575 133 H VAL 18 H VAL 18 -10.173 8.130 -4.339 134 HA VAL 18 HA VAL 18 -11.003 10.445 -6.070 135 HB VAL 18 HB VAL 18 -11.850 8.642 -7.642 136 HG11 VAL 18 HG11 VAL 18 -8.951 9.402 -7.394 137 HG12 VAL 18 HG12 VAL 18 -9.646 8.559 -8.804 138 HG13 VAL 18 HG13 VAL 18 -10.269 10.135 -8.355 139 HG21 VAL 18 HG21 VAL 18 -11.300 6.669 -6.146 140 HG22 VAL 18 HG22 VAL 18 -10.617 6.585 -7.781 141 HG23 VAL 18 HG23 VAL 18 -9.577 7.042 -6.415 142 H THR 19 H THR 19 -12.976 11.119 -6.098 143 HA THR 19 HA THR 19 -15.173 9.576 -4.767 144 HB THR 19 HB THR 19 -14.669 12.564 -4.485 145 HG1 THR 19 HG1 THR 19 -13.126 11.550 -3.333 146 HG21 THR 19 HG21 THR 19 -16.301 12.349 -2.606 147 HG22 THR 19 HG22 THR 19 -17.035 11.992 -4.169 148 HG23 THR 19 HG23 THR 19 -16.595 10.661 -3.070 149 H LEU 20 H LEU 20 -17.136 9.643 -5.767 150 HA LEU 20 HA LEU 20 -17.160 10.814 -8.461 151 HB2 LEU 20 HB2 LEU 20 -19.160 8.909 -7.207 152 HB3 LEU 20 HB3 LEU 20 -18.983 9.330 -8.903 153 HG LEU 20 HG LEU 20 -16.912 7.833 -7.221 154 HD11 LEU 20 HD11 LEU 20 -18.847 6.883 -9.345 155 HD12 LEU 20 HD12 LEU 20 -17.551 5.901 -8.625 156 HD13 LEU 20 HD13 LEU 20 -18.877 6.498 -7.619 157 HD21 LEU 20 HD21 LEU 20 -15.780 9.086 -8.999 158 HD22 LEU 20 HD22 LEU 20 -15.798 7.363 -9.382 159 HD23 LEU 20 HD23 LEU 20 -16.924 8.460 -10.203 160 H ASP 21 H ASP 21 -17.395 13.006 -8.032 161 HA ASP 21 HA ASP 21 -19.580 14.016 -6.394 162 HB2 ASP 21 HB2 ASP 21 -17.219 15.050 -6.843 163 HB3 ASP 21 HB3 ASP 21 -17.951 15.718 -8.275 164 H SER 22 H SER 22 -19.666 12.735 -9.431 165 HA SER 22 HA SER 22 -22.431 13.316 -9.712 166 HB2 SER 22 HB2 SER 22 -20.693 14.416 -11.935 167 HB3 SER 22 HB3 SER 22 -22.416 14.064 -12.087 168 HG SER 22 HG SER 22 -21.527 15.587 -9.916 169 H ASP 23 H ASP 23 -23.395 11.703 -10.683 170 HA ASP 23 HA ASP 23 -23.205 9.291 -10.611 171 HB2 ASP 23 HB2 ASP 23 -25.026 10.488 -11.821 172 HB3 ASP 23 HB3 ASP 23 -24.121 10.318 -13.321 173 H ASN 24 H ASN 24 -20.813 9.007 -10.603 174 HA ASN 24 HA ASN 24 -18.825 8.331 -11.272 175 HB2 ASN 24 HB2 ASN 24 -18.579 6.208 -12.425 176 HB3 ASN 24 HB3 ASN 24 -19.818 6.166 -11.191 177 HD21 ASN 24 HD22 ASN 24 -21.850 5.677 -11.736 178 HD22 ASN 24 HD21 ASN 24 -22.229 5.011 -13.326 179 H ILE 25 H ILE 25 -20.455 10.126 -13.432 180 HA ILE 25 HA ILE 25 -18.574 10.305 -15.576 181 HB ILE 25 HB ILE 25 -20.034 12.425 -15.945 182 HG12 ILE 25 HG12 ILE 25 -21.821 11.273 -13.840 183 HG13 ILE 25 HG13 ILE 25 -20.792 12.700 -13.637 184 HG21 ILE 25 HG21 ILE 25 -21.815 11.033 -16.906 185 HG22 ILE 25 HG22 ILE 25 -20.260 10.219 -17.091 186 HG23 ILE 25 HG23 ILE 25 -21.374 9.699 -15.815 187 HD11 ILE 25 HD11 ILE 25 -21.994 13.806 -15.512 188 HD12 ILE 25 HD12 ILE 25 -23.078 12.398 -15.630 189 HD13 ILE 25 HD13 ILE 25 -23.067 13.382 -14.165 190 H LEU 26 H LEU 26 -18.388 11.451 -12.413 191 HA LEU 26 HA LEU 26 -16.409 13.567 -13.145 192 HB2 LEU 26 HB2 LEU 26 -18.517 14.646 -12.772 193 HB3 LEU 26 HB3 LEU 26 -18.760 13.737 -11.279 194 HG LEU 26 HG LEU 26 -17.049 14.967 -10.125 195 HD11 LEU 26 HD11 LEU 26 -16.573 16.404 -12.742 196 HD12 LEU 26 HD12 LEU 26 -15.883 16.845 -11.152 197 HD13 LEU 26 HD13 LEU 26 -15.427 15.315 -11.905 198 HD21 LEU 26 HD21 LEU 26 -19.297 16.027 -10.297 199 HD22 LEU 26 HD22 LEU 26 -18.009 17.225 -10.198 200 HD23 LEU 26 HD23 LEU 26 -18.779 16.882 -11.762 201 H LEU 27 H LEU 27 -14.799 12.469 -12.661 202 HA LEU 27 HA LEU 27 -14.300 11.188 -9.992 203 HB2 LEU 27 HB2 LEU 27 -12.782 11.089 -12.610 204 HB3 LEU 27 HB3 LEU 27 -12.019 10.634 -11.092 205 HG LEU 27 HG LEU 27 -13.743 8.935 -10.660 206 HD11 LEU 27 HD11 LEU 27 -14.759 9.619 -13.450 207 HD12 LEU 27 HD12 LEU 27 -15.183 8.152 -12.540 208 HD13 LEU 27 HD13 LEU 27 -15.671 9.728 -11.930 209 HD21 LEU 27 HD21 LEU 27 -12.964 7.335 -12.345 210 HD22 LEU 27 HD22 LEU 27 -12.378 8.670 -13.365 211 HD23 LEU 27 HD23 LEU 27 -11.630 8.356 -11.781 212 H SER 28 H SER 28 -14.569 13.246 -8.923 213 HA SER 28 HA SER 28 -12.393 15.179 -8.968 214 HB2 SER 28 HB2 SER 28 -14.818 14.656 -7.235 215 HB3 SER 28 HB3 SER 28 -13.581 15.793 -6.705 216 HG SER 28 HG SER 28 -13.904 17.071 -8.402 217 H GLU 29 H GLU 29 -10.454 15.054 -7.939 218 HA GLU 29 HA GLU 29 -10.003 12.685 -6.201 219 HB2 GLU 29 HB2 GLU 29 -7.811 14.306 -7.418 220 HB3 GLU 29 HB3 GLU 29 -7.797 12.664 -6.730 221 HG2 GLU 29 HG2 GLU 29 -9.042 11.786 -8.547 222 HG3 GLU 29 HG3 GLU 29 -9.203 13.374 -9.313 223 H GLU 30 H GLU 30 -8.560 12.851 -4.366 224 HA GLU 30 HA GLU 30 -8.005 15.591 -3.274 225 HB2 GLU 30 HB2 GLU 30 -8.747 13.216 -1.523 226 HB3 GLU 30 HB3 GLU 30 -8.316 14.837 -1.001 227 HG2 GLU 30 HG2 GLU 30 -10.355 15.717 -2.119 228 HG3 GLU 30 HG3 GLU 30 -10.797 14.059 -2.554 229 H GLN 31 H GLN 31 -5.826 15.877 -2.936 230 HA GLN 31 HA GLN 31 -4.060 13.481 -2.731 231 HB2 GLN 31 HB2 GLN 31 -3.385 16.398 -3.204 232 HB3 GLN 31 HB3 GLN 31 -2.244 15.057 -3.008 233 HG2 GLN 31 HG2 GLN 31 -3.808 13.954 -4.935 234 HG3 GLN 31 HG3 GLN 31 -4.126 15.653 -5.295 235 HE21 GLN 31 HE21 GLN 31 -1.360 13.373 -4.628 236 HE22 GLN 31 HE22 GLN 31 -0.382 14.057 -5.902 237 H VAL 32 H VAL 32 -3.505 12.846 -0.724 238 HA VAL 32 HA VAL 32 -3.907 14.705 1.593 239 HB VAL 32 HB VAL 32 -5.112 12.986 2.796 240 HG11 VAL 32 HG11 VAL 32 -6.484 13.408 0.119 241 HG12 VAL 32 HG12 VAL 32 -7.238 13.103 1.692 242 HG13 VAL 32 HG13 VAL 32 -6.390 14.632 1.411 243 HG21 VAL 32 HG21 VAL 32 -4.221 10.940 1.735 244 HG22 VAL 32 HG22 VAL 32 -5.981 10.969 1.715 245 HG23 VAL 32 HG23 VAL 32 -5.086 11.338 0.230 246 H ASP 33 H ASP 33 -3.024 14.107 3.524 247 HA ASP 33 HA ASP 33 -0.522 12.506 3.453 248 HB2 ASP 33 HB2 ASP 33 -1.867 14.252 5.526 249 HB3 ASP 33 HB3 ASP 33 -0.606 13.124 5.988 250 H VAL 34 H VAL 34 -0.213 10.552 4.468 251 HA VAL 34 HA VAL 34 -2.320 8.714 4.510 252 HB VAL 34 HB VAL 34 0.097 8.204 4.307 253 HG11 VAL 34 HG11 VAL 34 0.172 8.331 7.355 254 HG12 VAL 34 HG12 VAL 34 1.485 7.871 6.275 255 HG13 VAL 34 HG13 VAL 34 0.907 9.531 6.274 256 HG21 VAL 34 HG21 VAL 34 -1.602 6.423 4.649 257 HG22 VAL 34 HG22 VAL 34 -0.012 6.004 5.301 258 HG23 VAL 34 HG23 VAL 34 -1.308 6.504 6.401 259 H GLU 35 H GLU 35 -1.257 10.716 7.193 260 HA GLU 35 HA GLU 35 -2.749 9.332 9.243 261 HB2 GLU 35 HB2 GLU 35 -0.657 10.728 9.460 262 HB3 GLU 35 HB3 GLU 35 -1.650 12.172 9.261 263 HG2 GLU 35 HG2 GLU 35 -2.762 11.787 11.349 264 HG3 GLU 35 HG3 GLU 35 -2.213 10.104 11.421 265 H LEU 36 H LEU 36 -3.892 11.150 6.685 266 HA LEU 36 HA LEU 36 -6.334 12.129 8.104 267 HB2 LEU 36 HB2 LEU 36 -5.219 12.969 5.403 268 HB3 LEU 36 HB3 LEU 36 -6.524 13.734 6.294 269 HG LEU 36 HG LEU 36 -3.581 13.740 7.103 270 HD11 LEU 36 HD11 LEU 36 -5.412 15.909 6.007 271 HD12 LEU 36 HD12 LEU 36 -3.734 16.141 6.534 272 HD13 LEU 36 HD13 LEU 36 -4.090 15.126 5.125 273 HD21 LEU 36 HD21 LEU 36 -5.006 13.850 9.100 274 HD22 LEU 36 HD22 LEU 36 -4.280 15.427 8.773 275 HD23 LEU 36 HD23 LEU 36 -5.984 15.138 8.353 276 H VAL 37 H VAL 37 -5.392 9.644 5.947 277 HA VAL 37 HA VAL 37 -8.067 9.540 4.666 278 HB VAL 37 HB VAL 37 -6.229 9.147 3.196 279 HG11 VAL 37 HG11 VAL 37 -4.833 7.107 3.324 280 HG12 VAL 37 HG12 VAL 37 -4.543 8.210 4.665 281 HG13 VAL 37 HG13 VAL 37 -5.513 6.742 4.926 282 HG21 VAL 37 HG21 VAL 37 -8.350 7.960 2.747 283 HG22 VAL 37 HG22 VAL 37 -6.922 7.124 2.126 284 HG23 VAL 37 HG23 VAL 37 -7.714 6.526 3.591 285 H GLN 38 H GLN 38 -9.479 7.866 4.890 286 HA GLN 38 HA GLN 38 -9.292 6.256 7.412 287 HB2 GLN 38 HB2 GLN 38 -11.575 6.771 7.884 288 HB3 GLN 38 HB3 GLN 38 -10.671 8.258 7.689 289 HG2 GLN 38 HG2 GLN 38 -12.063 8.963 6.044 290 HG3 GLN 38 HG3 GLN 38 -11.863 7.479 5.118 291 HE21 GLN 38 HE22 GLN 38 -13.718 8.867 7.783 292 HE22 GLN 38 HE21 GLN 38 -14.997 7.646 7.629 293 H ARG 39 H ARG 39 -10.847 4.454 7.576 294 HA ARG 39 HA ARG 39 -10.230 2.621 5.475 295 HB2 ARG 39 HB2 ARG 39 -10.926 0.944 7.002 296 HB3 ARG 39 HB3 ARG 39 -10.187 2.220 7.963 297 HG2 ARG 39 HG2 ARG 39 -12.583 3.092 8.363 298 HG3 ARG 39 HG3 ARG 39 -13.134 1.599 7.609 299 HD2 ARG 39 HD2 ARG 39 -11.937 0.274 9.344 300 HD3 ARG 39 HD3 ARG 39 -11.388 1.780 10.085 301 HE ARG 39 HE ARG 39 -13.405 1.940 11.169 302 HH11 ARG 39 HH11 ARG 39 -13.961 -0.272 8.488 303 HH12 ARG 39 HH12 ARG 39 -15.690 -0.290 8.762 304 HH21 ARG 39 HH21 ARG 39 -15.575 1.628 11.595 305 HH22 ARG 39 HH22 ARG 39 -16.505 0.526 10.587 306 H GLY 40 H GLY 40 -12.398 4.627 4.721 307 HA2 GLY 40 HA2 GLY 40 -14.369 2.660 3.582 308 HA3 GLY 40 HA3 GLY 40 -14.850 4.214 4.253 309 H ASP 41 H ASP 41 -11.931 4.670 2.611 310 HA ASP 41 HA ASP 41 -13.371 5.644 0.176 311 HB2 ASP 41 HB2 ASP 41 -11.004 6.739 1.723 312 HB3 ASP 41 HB3 ASP 41 -11.410 7.263 0.097 313 H ILE 42 H ILE 42 -11.821 5.996 -1.719 314 HA ILE 42 HA ILE 42 -10.372 3.426 -2.252 315 HB ILE 42 HB ILE 42 -12.494 4.795 -3.934 316 HG12 ILE 42 HG12 ILE 42 -12.288 2.109 -2.503 317 HG13 ILE 42 HG13 ILE 42 -13.418 3.413 -2.167 318 HG21 ILE 42 HG21 ILE 42 -10.709 2.440 -4.691 319 HG22 ILE 42 HG22 ILE 42 -12.066 3.090 -5.648 320 HG23 ILE 42 HG23 ILE 42 -10.650 4.082 -5.384 321 HD11 ILE 42 HD11 ILE 42 -13.437 1.600 -4.608 322 HD12 ILE 42 HD12 ILE 42 -14.569 1.607 -3.257 323 HD13 ILE 42 HD13 ILE 42 -14.521 2.999 -4.363 324 H ILE 43 H ILE 43 -8.404 3.581 -3.073 325 HA ILE 43 HA ILE 43 -7.357 6.249 -3.730 326 HB ILE 43 HB ILE 43 -5.968 3.736 -2.742 327 HG12 ILE 43 HG12 ILE 43 -7.599 4.197 -1.040 328 HG13 ILE 43 HG13 ILE 43 -6.005 4.615 -0.463 329 HG21 ILE 43 HG21 ILE 43 -4.244 5.312 -1.898 330 HG22 ILE 43 HG22 ILE 43 -4.401 5.346 -3.650 331 HG23 ILE 43 HG23 ILE 43 -5.105 6.650 -2.678 332 HD11 ILE 43 HD11 ILE 43 -7.756 6.241 0.202 333 HD12 ILE 43 HD12 ILE 43 -6.460 7.007 -0.740 334 HD13 ILE 43 HD13 ILE 43 -8.033 6.651 -1.489 335 H LYS 44 H LYS 44 -6.385 6.684 -5.698 336 HA LYS 44 HA LYS 44 -5.670 4.543 -7.563 337 HB2 LYS 44 HB2 LYS 44 -4.893 7.480 -7.726 338 HB3 LYS 44 HB3 LYS 44 -4.887 6.300 -9.028 339 HG2 LYS 44 HG2 LYS 44 -7.268 7.523 -7.640 340 HG3 LYS 44 HG3 LYS 44 -6.726 7.796 -9.296 341 HD2 LYS 44 HD2 LYS 44 -7.948 5.299 -8.130 342 HD3 LYS 44 HD3 LYS 44 -8.704 6.386 -9.287 343 HE2 LYS 44 HE2 LYS 44 -6.330 4.549 -9.835 344 HE3 LYS 44 HE3 LYS 44 -8.002 4.301 -10.358 345 HZ1 LYS 44 HZ1 LYS 44 -6.210 6.518 -11.241 346 HZ2 LYS 44 HZ2 LYS 44 -6.728 5.244 -12.136 347 HZ3 LYS 44 HZ3 LYS 44 -7.788 6.405 -11.658 348 H VAL 45 H VAL 45 -3.741 3.643 -8.029 349 HA VAL 45 HA VAL 45 -1.253 5.058 -7.168 350 HB VAL 45 HB VAL 45 -1.881 3.033 -5.804 351 HG11 VAL 45 HG11 VAL 45 -0.957 1.482 -8.257 352 HG12 VAL 45 HG12 VAL 45 -1.304 0.833 -6.651 353 HG13 VAL 45 HG13 VAL 45 -2.614 1.555 -7.603 354 HG21 VAL 45 HG21 VAL 45 0.448 2.254 -5.666 355 HG22 VAL 45 HG22 VAL 45 0.822 2.996 -7.234 356 HG23 VAL 45 HG23 VAL 45 0.398 4.014 -5.839 357 H VAL 46 H VAL 46 0.316 5.346 -8.635 358 HA VAL 46 HA VAL 46 -0.303 4.584 -11.449 359 HB VAL 46 HB VAL 46 0.900 6.619 -12.070 360 HG11 VAL 46 HG11 VAL 46 -1.171 7.213 -9.935 361 HG12 VAL 46 HG12 VAL 46 -0.687 8.250 -11.289 362 HG13 VAL 46 HG13 VAL 46 -1.521 6.719 -11.605 363 HG21 VAL 46 HG21 VAL 46 1.670 8.244 -10.458 364 HG22 VAL 46 HG22 VAL 46 1.230 7.189 -9.108 365 HG23 VAL 46 HG23 VAL 46 2.546 6.730 -10.210 366 HA PRO 47 HA PRO 47 3.661 2.603 -12.203 367 HB2 PRO 47 HB2 PRO 47 4.252 4.750 -14.250 368 HB3 PRO 47 HB3 PRO 47 4.473 2.975 -14.379 369 HG2 PRO 47 HG2 PRO 47 2.322 4.142 -15.527 370 HG3 PRO 47 HG3 PRO 47 2.116 2.627 -14.586 371 HD2 PRO 47 HD2 PRO 47 1.595 5.470 -13.715 372 HD3 PRO 47 HD3 PRO 47 0.576 4.015 -13.479 373 H GLY 48 H GLY 48 5.444 2.689 -11.091 374 HA2 GLY 48 HA2 GLY 48 7.396 3.418 -10.072 375 HA3 GLY 48 HA3 GLY 48 7.091 5.077 -10.627 376 H GLY 49 H GLY 49 4.209 4.430 -9.259 377 HA2 GLY 49 HA2 GLY 49 4.761 5.770 -6.757 378 HA3 GLY 49 HA3 GLY 49 3.216 5.135 -7.314 379 H LYS 50 H LYS 50 3.907 4.983 -4.687 380 HA LYS 50 HA LYS 50 4.309 2.050 -4.222 381 HB2 LYS 50 HB2 LYS 50 5.073 4.330 -2.346 382 HB3 LYS 50 HB3 LYS 50 5.178 2.604 -2.007 383 HG2 LYS 50 HG2 LYS 50 7.319 2.966 -2.572 384 HG3 LYS 50 HG3 LYS 50 6.686 2.499 -4.142 385 HD2 LYS 50 HD2 LYS 50 6.711 4.835 -4.894 386 HD3 LYS 50 HD3 LYS 50 7.000 5.387 -3.237 387 HE2 LYS 50 HE2 LYS 50 9.159 4.010 -3.286 388 HE3 LYS 50 HE3 LYS 50 8.903 3.811 -5.027 389 HZ1 LYS 50 HZ1 LYS 50 10.359 5.683 -4.529 390 HZ2 LYS 50 HZ2 LYS 50 8.968 6.255 -5.212 391 HZ3 LYS 50 HZ3 LYS 50 9.210 6.393 -3.591 392 H PHE 51 H PHE 51 3.101 1.049 -2.592 393 HA PHE 51 HA PHE 51 0.377 2.050 -2.406 394 HB2 PHE 51 HB2 PHE 51 1.708 -0.450 -1.343 395 HB3 PHE 51 HB3 PHE 51 0.008 -0.081 -1.097 396 HD1 PHE 51 HD1 PHE 51 2.557 -0.979 -3.638 397 HD2 PHE 51 HD2 PHE 51 -1.619 -0.256 -2.898 398 HE1 PHE 51 HE1 PHE 51 2.010 -1.970 -5.831 399 HE2 PHE 51 HE2 PHE 51 -2.173 -1.277 -5.101 400 HZ PHE 51 HZ PHE 51 -0.356 -2.125 -6.572 401 HA PRO 52 HA PRO 52 1.039 3.940 1.623 402 HB2 PRO 52 HB2 PRO 52 -1.397 5.061 2.071 403 HB3 PRO 52 HB3 PRO 52 -0.299 5.624 0.779 404 HG2 PRO 52 HG2 PRO 52 -2.665 3.753 0.517 405 HG3 PRO 52 HG3 PRO 52 -2.235 5.159 -0.504 406 HD2 PRO 52 HD2 PRO 52 -1.607 2.560 -1.170 407 HD3 PRO 52 HD3 PRO 52 -0.593 3.959 -1.636 408 H VAL 53 H VAL 53 -1.434 1.414 1.316 409 HA VAL 53 HA VAL 53 -1.360 0.702 4.100 410 HB VAL 53 HB VAL 53 -3.847 0.687 4.398 411 HG11 VAL 53 HG11 VAL 53 -2.590 3.452 4.308 412 HG12 VAL 53 HG12 VAL 53 -3.968 2.922 5.294 413 HG13 VAL 53 HG13 VAL 53 -2.356 2.255 5.597 414 HG21 VAL 53 HG21 VAL 53 -4.475 1.206 2.025 415 HG22 VAL 53 HG22 VAL 53 -5.226 2.271 3.232 416 HG23 VAL 53 HG23 VAL 53 -3.855 2.860 2.277 417 H ASP 54 H ASP 54 -3.012 -1.314 4.334 418 HA ASP 54 HA ASP 54 -2.455 -2.973 1.916 419 HB2 ASP 54 HB2 ASP 54 -2.136 -4.818 3.118 420 HB3 ASP 54 HB3 ASP 54 -1.526 -3.627 4.246 421 H GLY 55 H GLY 55 -4.015 -4.297 0.925 422 HA2 GLY 55 HA2 GLY 55 -6.743 -4.466 1.677 423 HA3 GLY 55 HA3 GLY 55 -6.579 -2.981 0.757 424 H ARG 56 H ARG 56 -8.200 -4.089 -0.540 425 HA ARG 56 HA ARG 56 -7.163 -6.074 -2.501 426 HB2 ARG 56 HB2 ARG 56 -9.093 -6.688 -1.099 427 HB3 ARG 56 HB3 ARG 56 -10.007 -5.315 -1.732 428 HG2 ARG 56 HG2 ARG 56 -10.026 -6.291 -3.970 429 HG3 ARG 56 HG3 ARG 56 -8.927 -7.591 -3.456 430 HD2 ARG 56 HD2 ARG 56 -10.594 -8.463 -1.911 431 HD3 ARG 56 HD3 ARG 56 -11.700 -7.136 -2.278 432 HE ARG 56 HE ARG 56 -10.979 -9.448 -4.012 433 HH11 ARG 56 HH11 ARG 56 -12.994 -6.538 -3.726 434 HH12 ARG 56 HH12 ARG 56 -14.051 -7.068 -5.000 435 HH21 ARG 56 HH21 ARG 56 -12.315 -10.007 -5.628 436 HH22 ARG 56 HH22 ARG 56 -13.502 -8.869 -6.215 437 H VAL 57 H VAL 57 -7.369 -5.843 -4.637 438 HA VAL 57 HA VAL 57 -7.692 -3.094 -5.756 439 HB VAL 57 HB VAL 57 -5.992 -5.425 -6.746 440 HG11 VAL 57 HG11 VAL 57 -6.091 -2.523 -7.674 441 HG12 VAL 57 HG12 VAL 57 -4.931 -3.753 -8.218 442 HG13 VAL 57 HG13 VAL 57 -6.631 -3.945 -8.603 443 HG21 VAL 57 HG21 VAL 57 -5.024 -4.589 -4.689 444 HG22 VAL 57 HG22 VAL 57 -4.056 -4.000 -6.042 445 HG23 VAL 57 HG23 VAL 57 -5.206 -2.908 -5.234 446 H ILE 58 H ILE 58 -9.122 -2.773 -7.405 447 HA ILE 58 HA ILE 58 -10.202 -5.112 -8.917 448 HB ILE 58 HB ILE 58 -12.537 -4.176 -8.640 449 HG12 ILE 58 HG12 ILE 58 -11.382 -2.914 -6.134 450 HG13 ILE 58 HG13 ILE 58 -11.638 -1.974 -7.617 451 HG21 ILE 58 HG21 ILE 58 -12.970 -5.436 -6.650 452 HG22 ILE 58 HG22 ILE 58 -11.732 -6.268 -7.589 453 HG23 ILE 58 HG23 ILE 58 -11.273 -5.345 -6.140 454 HD11 ILE 58 HD11 ILE 58 -14.058 -2.592 -7.591 455 HD12 ILE 58 HD12 ILE 58 -13.812 -3.369 -6.006 456 HD13 ILE 58 HD13 ILE 58 -13.551 -1.625 -6.199 457 H GLU 59 H GLU 59 -8.350 -3.091 -9.819 458 HA GLU 59 HA GLU 59 -9.590 -2.830 -12.405 459 HB2 GLU 59 HB2 GLU 59 -10.382 -0.682 -11.176 460 HB3 GLU 59 HB3 GLU 59 -8.677 -0.250 -11.096 461 HG2 GLU 59 HG2 GLU 59 -9.539 0.939 -12.881 462 HG3 GLU 59 HG3 GLU 59 -8.567 -0.326 -13.609 463 H GLY 60 H GLY 60 -7.993 -3.120 -13.879 464 HA2 GLY 60 HA2 GLY 60 -6.087 -2.529 -15.041 465 HA3 GLY 60 HA3 GLY 60 -5.466 -1.687 -13.629 466 H HIS 61 H HIS 61 -3.557 -2.677 -14.589 467 HA HIS 61 HA HIS 61 -2.873 -5.293 -13.394 468 HB2 HIS 61 HB2 HIS 61 -2.021 -6.127 -15.665 469 HB3 HIS 61 HB3 HIS 61 -3.725 -6.235 -15.281 470 HD1 HIS 61 HD1 HIS 61 -5.432 -4.861 -16.782 471 HD2 HIS 61 HD2 HIS 61 -1.344 -4.411 -17.700 472 HE1 HIS 61 HE1 HIS 61 -5.326 -3.638 -19.022 473 H SER 62 H SER 62 -1.092 -5.007 -12.368 474 HA SER 62 HA SER 62 1.221 -3.808 -13.695 475 HB2 SER 62 HB2 SER 62 -0.235 -2.276 -11.787 476 HB3 SER 62 HB3 SER 62 1.211 -2.848 -10.955 477 HG SER 62 HG SER 62 1.101 -0.828 -12.387 478 H MET 63 H MET 63 3.267 -4.245 -12.719 479 HA MET 63 HA MET 63 3.264 -6.710 -11.061 480 HB2 MET 63 HB2 MET 63 4.116 -7.064 -13.272 481 HB3 MET 63 HB3 MET 63 5.213 -5.686 -13.144 482 HG2 MET 63 HG2 MET 63 6.609 -6.745 -11.647 483 HG3 MET 63 HG3 MET 63 5.402 -7.946 -11.149 484 HE1 MET 63 HE1 MET 63 4.294 -9.423 -13.528 485 HE2 MET 63 HE2 MET 63 5.522 -10.664 -13.848 486 HE3 MET 63 HE3 MET 63 5.094 -10.256 -12.173 487 H VAL 64 H VAL 64 4.050 -6.603 -9.118 488 HA VAL 64 HA VAL 64 5.030 -3.998 -8.119 489 HB VAL 64 HB VAL 64 3.342 -6.147 -6.804 490 HG11 VAL 64 HG11 VAL 64 4.210 -3.436 -5.716 491 HG12 VAL 64 HG12 VAL 64 2.980 -4.491 -4.992 492 HG13 VAL 64 HG13 VAL 64 4.650 -5.041 -5.077 493 HG21 VAL 64 HG21 VAL 64 2.071 -4.892 -8.484 494 HG22 VAL 64 HG22 VAL 64 1.573 -4.381 -6.870 495 HG23 VAL 64 HG23 VAL 64 2.659 -3.351 -7.823 496 H ASP 65 H ASP 65 6.809 -3.792 -6.774 497 HA ASP 65 HA ASP 65 8.424 -6.238 -6.306 498 HB2 ASP 65 HB2 ASP 65 9.530 -4.312 -7.350 499 HB3 ASP 65 HB3 ASP 65 9.183 -3.331 -5.921 500 H GLU 66 H GLU 66 7.573 -7.317 -4.632 501 HA GLU 66 HA GLU 66 6.905 -5.990 -2.083 502 HB2 GLU 66 HB2 GLU 66 6.774 -8.931 -2.785 503 HB3 GLU 66 HB3 GLU 66 5.992 -8.081 -1.432 504 HG2 GLU 66 HG2 GLU 66 4.571 -6.862 -3.077 505 HG3 GLU 66 HG3 GLU 66 5.252 -7.871 -4.364 506 H SER 67 H SER 67 9.794 -6.871 -3.292 507 HA SER 67 HA SER 67 11.104 -8.785 -2.086 508 HB2 SER 67 HB2 SER 67 12.020 -7.171 -3.685 509 HB3 SER 67 HB3 SER 67 12.169 -5.952 -2.410 510 HG SER 67 HG SER 67 14.032 -7.358 -3.064 511 H LEU 68 H LEU 68 10.712 -5.668 -0.304 512 HA LEU 68 HA LEU 68 12.211 -6.786 1.972 513 HB2 LEU 68 HB2 LEU 68 12.438 -4.449 1.179 514 HB3 LEU 68 HB3 LEU 68 10.741 -4.146 1.455 515 HG LEU 68 HG LEU 68 12.323 -3.058 3.008 516 HD11 LEU 68 HD11 LEU 68 9.951 -3.405 3.649 517 HD12 LEU 68 HD12 LEU 68 10.435 -4.856 4.542 518 HD13 LEU 68 HD13 LEU 68 11.074 -3.283 5.010 519 HD21 LEU 68 HD21 LEU 68 12.768 -5.801 4.220 520 HD22 LEU 68 HD22 LEU 68 13.964 -4.843 3.314 521 HD23 LEU 68 HD23 LEU 68 13.333 -4.249 4.862 522 H ILE 69 H ILE 69 8.861 -6.422 1.076 523 HA ILE 69 HA ILE 69 7.787 -6.564 3.781 524 HB ILE 69 HB ILE 69 6.247 -6.887 1.178 525 HG12 ILE 69 HG12 ILE 69 7.591 -4.815 0.929 526 HG13 ILE 69 HG13 ILE 69 5.862 -4.573 0.950 527 HG21 ILE 69 HG21 ILE 69 4.456 -5.784 2.600 528 HG22 ILE 69 HG22 ILE 69 4.937 -7.409 3.122 529 HG23 ILE 69 HG23 ILE 69 5.526 -5.983 3.993 530 HD11 ILE 69 HD11 ILE 69 7.620 -4.096 3.384 531 HD12 ILE 69 HD12 ILE 69 7.101 -2.845 2.226 532 HD13 ILE 69 HD13 ILE 69 5.891 -3.705 3.181 533 H THR 70 H THR 70 7.415 -8.701 0.903 534 HA THR 70 HA THR 70 6.668 -10.963 2.671 535 HB THR 70 HB THR 70 5.842 -11.995 0.588 536 HG1 THR 70 HG1 THR 70 5.734 -10.446 -1.210 537 HG21 THR 70 HG21 THR 70 4.821 -9.134 0.865 538 HG22 THR 70 HG22 THR 70 3.950 -10.539 0.219 539 HG23 THR 70 HG23 THR 70 4.359 -10.476 1.939 540 H GLY 71 H GLY 71 9.435 -9.879 1.156 541 HA2 GLY 71 HA2 GLY 71 11.565 -10.752 1.240 542 HA3 GLY 71 HA3 GLY 71 10.929 -12.249 1.941 543 H GLU 72 H GLU 72 9.468 -11.283 -0.956 544 HA GLU 72 HA GLU 72 10.200 -13.678 -2.382 545 HB2 GLU 72 HB2 GLU 72 8.912 -11.120 -3.399 546 HB3 GLU 72 HB3 GLU 72 9.152 -12.549 -4.405 547 HG2 GLU 72 HG2 GLU 72 7.559 -12.550 -1.812 548 HG3 GLU 72 HG3 GLU 72 6.860 -12.353 -3.424 549 H ALA 73 H ALA 73 11.162 -10.343 -3.281 550 HA ALA 73 HA ALA 73 12.991 -9.436 -4.153 551 HB1 ALA 73 HB1 ALA 73 15.200 -10.388 -3.941 552 HB2 ALA 73 HB2 ALA 73 14.301 -10.565 -2.426 553 HB3 ALA 73 HB3 ALA 73 14.520 -11.969 -3.492 554 H MET 74 H MET 74 11.028 -10.668 -5.549 555 HA MET 74 HA MET 74 11.942 -10.582 -8.242 556 HB2 MET 74 HB2 MET 74 10.798 -12.762 -8.832 557 HB3 MET 74 HB3 MET 74 12.412 -12.884 -8.134 558 HG2 MET 74 HG2 MET 74 11.345 -13.451 -5.937 559 HG3 MET 74 HG3 MET 74 9.774 -13.414 -6.715 560 HE1 MET 74 HE1 MET 74 13.082 -15.234 -6.060 561 HE2 MET 74 HE2 MET 74 13.074 -16.613 -7.182 562 HE3 MET 74 HE3 MET 74 13.338 -14.972 -7.800 563 HA PRO 75 HA PRO 75 8.123 -8.574 -7.537 564 HB2 PRO 75 HB2 PRO 75 7.500 -7.468 -9.904 565 HB3 PRO 75 HB3 PRO 75 8.944 -6.999 -8.976 566 HG2 PRO 75 HG2 PRO 75 8.812 -9.009 -11.254 567 HG3 PRO 75 HG3 PRO 75 9.932 -7.616 -11.083 568 HD2 PRO 75 HD2 PRO 75 10.655 -10.131 -10.320 569 HD3 PRO 75 HD3 PRO 75 11.157 -8.697 -9.372 570 H VAL 76 H VAL 76 5.888 -8.484 -7.870 571 HA VAL 76 HA VAL 76 4.686 -11.101 -8.684 572 HB VAL 76 HB VAL 76 3.864 -9.263 -6.398 573 HG11 VAL 76 HG11 VAL 76 3.077 -12.132 -7.077 574 HG12 VAL 76 HG12 VAL 76 2.590 -11.243 -5.621 575 HG13 VAL 76 HG13 VAL 76 2.026 -10.706 -7.205 576 HG21 VAL 76 HG21 VAL 76 4.825 -11.029 -4.905 577 HG22 VAL 76 HG22 VAL 76 5.546 -11.792 -6.329 578 HG23 VAL 76 HG23 VAL 76 6.054 -10.164 -5.828 579 H ALA 77 H ALA 77 2.988 -11.063 -10.063 580 HA ALA 77 HA ALA 77 2.018 -8.531 -11.118 581 HB1 ALA 77 HB1 ALA 77 0.883 -9.899 -12.725 582 HB2 ALA 77 HB2 ALA 77 2.494 -10.580 -12.475 583 HB3 ALA 77 HB3 ALA 77 1.082 -11.354 -11.722 584 H LYS 78 H LYS 78 0.189 -7.456 -10.724 585 HA LYS 78 HA LYS 78 -1.991 -8.675 -9.061 586 HB2 LYS 78 HB2 LYS 78 -1.169 -5.751 -9.142 587 HB3 LYS 78 HB3 LYS 78 -2.403 -6.469 -8.108 588 HG2 LYS 78 HG2 LYS 78 0.592 -7.034 -7.963 589 HG3 LYS 78 HG3 LYS 78 -0.298 -5.935 -6.920 590 HD2 LYS 78 HD2 LYS 78 -1.562 -7.743 -5.924 591 HD3 LYS 78 HD3 LYS 78 -0.860 -8.931 -7.043 592 HE2 LYS 78 HE2 LYS 78 1.360 -8.600 -6.133 593 HE3 LYS 78 HE3 LYS 78 0.820 -7.236 -5.150 594 HZ1 LYS 78 HZ1 LYS 78 -0.156 -10.019 -4.751 595 HZ2 LYS 78 HZ2 LYS 78 1.035 -9.279 -3.875 596 HZ3 LYS 78 HZ3 LYS 78 -0.513 -8.727 -3.828 597 H LYS 79 H LYS 79 -4.114 -7.982 -9.493 598 HA LYS 79 HA LYS 79 -4.832 -6.996 -12.198 599 HB2 LYS 79 HB2 LYS 79 -5.916 -9.142 -12.737 600 HB3 LYS 79 HB3 LYS 79 -4.211 -9.391 -12.423 601 HG2 LYS 79 HG2 LYS 79 -4.778 -10.176 -10.117 602 HG3 LYS 79 HG3 LYS 79 -6.496 -9.975 -10.473 603 HD2 LYS 79 HD2 LYS 79 -4.585 -11.803 -11.981 604 HD3 LYS 79 HD3 LYS 79 -5.641 -12.295 -10.651 605 HE2 LYS 79 HE2 LYS 79 -7.634 -11.742 -11.953 606 HE3 LYS 79 HE3 LYS 79 -6.616 -11.165 -13.289 607 HZ1 LYS 79 HZ1 LYS 79 -6.756 -13.965 -12.298 608 HZ2 LYS 79 HZ2 LYS 79 -7.245 -13.380 -13.771 609 HZ3 LYS 79 HZ3 LYS 79 -5.650 -13.436 -13.381 610 HA PRO 80 HA PRO 80 -8.685 -6.098 -9.955 611 HB2 PRO 80 HB2 PRO 80 -10.778 -6.951 -11.537 612 HB3 PRO 80 HB3 PRO 80 -9.836 -5.462 -11.851 613 HG2 PRO 80 HG2 PRO 80 -9.404 -8.212 -13.073 614 HG3 PRO 80 HG3 PRO 80 -9.543 -6.633 -13.918 615 HD2 PRO 80 HD2 PRO 80 -7.123 -7.632 -13.393 616 HD3 PRO 80 HD3 PRO 80 -7.447 -5.909 -13.102 617 H GLY 81 H GLY 81 -9.522 -7.148 -8.247 618 HA2 GLY 81 HA2 GLY 81 -10.166 -8.858 -6.821 619 HA3 GLY 81 HA3 GLY 81 -10.171 -10.025 -8.141 620 H SER 82 H SER 82 -7.646 -7.818 -6.864 621 HA SER 82 HA SER 82 -5.902 -10.140 -6.100 622 HB2 SER 82 HB2 SER 82 -5.235 -9.016 -8.241 623 HB3 SER 82 HB3 SER 82 -4.956 -7.534 -7.306 624 HG SER 82 HG SER 82 -3.575 -10.005 -7.279 625 H THR 83 H THR 83 -4.263 -9.567 -4.355 626 HA THR 83 HA THR 83 -5.242 -7.361 -2.599 627 HB THR 83 HB THR 83 -4.620 -8.770 -0.658 628 HG1 THR 83 HG1 THR 83 -4.536 -10.979 -0.973 629 HG21 THR 83 HG21 THR 83 -6.651 -10.161 -0.707 630 HG22 THR 83 HG22 THR 83 -6.974 -8.550 -1.366 631 HG23 THR 83 HG23 THR 83 -6.790 -9.938 -2.460 632 H VAL 84 H VAL 84 -3.796 -6.228 -1.404 633 HA VAL 84 HA VAL 84 -0.918 -6.483 -2.139 634 HB VAL 84 HB VAL 84 -0.826 -4.036 -2.476 635 HG11 VAL 84 HG11 VAL 84 -2.653 -5.511 -4.408 636 HG12 VAL 84 HG12 VAL 84 -1.675 -4.071 -4.757 637 HG13 VAL 84 HG13 VAL 84 -0.880 -5.601 -4.363 638 HG21 VAL 84 HG21 VAL 84 -2.919 -3.354 -1.332 639 HG22 VAL 84 HG22 VAL 84 -2.845 -2.768 -2.999 640 HG23 VAL 84 HG23 VAL 84 -3.868 -4.156 -2.600 641 H ILE 85 H ILE 85 0.567 -5.474 -0.849 642 HA ILE 85 HA ILE 85 -0.304 -4.498 1.820 643 HB ILE 85 HB ILE 85 2.260 -5.064 2.341 644 HG12 ILE 85 HG12 ILE 85 2.897 -7.287 1.614 645 HG13 ILE 85 HG13 ILE 85 1.491 -7.419 0.587 646 HG21 ILE 85 HG21 ILE 85 0.339 -5.681 3.685 647 HG22 ILE 85 HG22 ILE 85 -0.024 -7.036 2.586 648 HG23 ILE 85 HG23 ILE 85 1.481 -7.019 3.540 649 HD11 ILE 85 HD11 ILE 85 3.692 -5.333 0.221 650 HD12 ILE 85 HD12 ILE 85 3.632 -6.893 -0.629 651 HD13 ILE 85 HD13 ILE 85 2.373 -5.683 -0.916 652 H ALA 86 H ALA 86 0.670 -2.804 2.752 653 HA ALA 86 HA ALA 86 1.293 -0.598 1.107 654 HB1 ALA 86 HB1 ALA 86 1.589 0.566 3.205 655 HB2 ALA 86 HB2 ALA 86 0.272 -0.603 3.414 656 HB3 ALA 86 HB3 ALA 86 1.861 -0.962 4.077 657 H GLY 87 H GLY 87 3.169 0.608 0.833 658 HA2 GLY 87 HA2 GLY 87 5.400 1.179 0.851 659 HA3 GLY 87 HA3 GLY 87 5.758 -0.202 1.899 660 H SER 88 H SER 88 4.147 -1.529 -0.685 661 HA SER 88 HA SER 88 6.627 -2.416 -2.005 662 HB2 SER 88 HB2 SER 88 5.150 -3.916 -3.232 663 HB3 SER 88 HB3 SER 88 4.949 -4.088 -1.488 664 HG SER 88 HG SER 88 2.947 -3.237 -1.604 665 H ILE 89 H ILE 89 6.796 -2.319 -4.399 666 HA ILE 89 HA ILE 89 6.064 0.439 -5.279 667 HB ILE 89 HB ILE 89 8.287 -1.088 -6.581 668 HG12 ILE 89 HG12 ILE 89 8.868 -1.509 -4.270 669 HG13 ILE 89 HG13 ILE 89 9.979 -0.401 -5.039 670 HG21 ILE 89 HG21 ILE 89 7.607 1.096 -7.455 671 HG22 ILE 89 HG22 ILE 89 7.861 1.846 -5.870 672 HG23 ILE 89 HG23 ILE 89 9.237 1.180 -6.774 673 HD11 ILE 89 HD11 ILE 89 9.086 1.491 -3.823 674 HD12 ILE 89 HD12 ILE 89 7.751 0.509 -3.172 675 HD13 ILE 89 HD13 ILE 89 9.414 0.177 -2.680 676 H ASN 90 H ASN 90 4.852 0.789 -7.064 677 HA ASN 90 HA ASN 90 3.873 -1.525 -8.643 678 HB2 ASN 90 HB2 ASN 90 2.316 0.021 -7.421 679 HB3 ASN 90 HB3 ASN 90 2.951 1.377 -8.340 680 HD21 ASN 90 HD22 ASN 90 1.917 1.825 -10.230 681 HD22 ASN 90 HD21 ASN 90 0.682 0.771 -10.915 682 H GLN 91 H GLN 91 4.461 -1.835 -10.880 683 HA GLN 91 HA GLN 91 5.603 0.467 -12.323 684 HB2 GLN 91 HB2 GLN 91 7.399 -0.609 -10.830 685 HB3 GLN 91 HB3 GLN 91 7.308 -1.999 -11.907 686 HG2 GLN 91 HG2 GLN 91 9.122 -0.619 -12.649 687 HG3 GLN 91 HG3 GLN 91 7.826 -0.432 -13.840 688 HE21 GLN 91 HE22 GLN 91 6.971 1.690 -14.185 689 HE22 GLN 91 HE21 GLN 91 7.448 3.052 -13.189 690 H ASN 92 H ASN 92 3.723 0.018 -13.600 691 HA ASN 92 HA ASN 92 4.515 -0.900 -16.153 692 HB2 ASN 92 HB2 ASN 92 4.035 -3.201 -15.379 693 HB3 ASN 92 HB3 ASN 92 2.444 -2.703 -14.836 694 HD21 ASN 92 HD22 ASN 92 0.700 -2.846 -16.361 695 HD22 ASN 92 HD21 ASN 92 1.042 -3.134 -18.070 696 H GLY 93 H GLY 93 1.458 -0.812 -14.346 697 HA2 GLY 93 HA2 GLY 93 0.412 1.532 -15.862 698 HA3 GLY 93 HA3 GLY 93 -0.504 0.026 -15.851 699 H SER 94 H SER 94 -1.822 2.089 -14.943 700 HA SER 94 HA SER 94 -1.494 2.497 -12.060 701 HB2 SER 94 HB2 SER 94 -3.578 3.600 -13.977 702 HB3 SER 94 HB3 SER 94 -3.334 4.094 -12.291 703 HG SER 94 HG SER 94 -1.889 4.752 -14.550 704 H LEU 95 H LEU 95 -2.779 1.760 -10.432 705 HA LEU 95 HA LEU 95 -5.077 -0.058 -11.042 706 HB2 LEU 95 HB2 LEU 95 -2.994 -0.198 -8.863 707 HB3 LEU 95 HB3 LEU 95 -4.333 -1.311 -9.019 708 HG LEU 95 HG LEU 95 -1.941 -1.033 -10.884 709 HD11 LEU 95 HD11 LEU 95 -1.339 -1.917 -8.671 710 HD12 LEU 95 HD12 LEU 95 -2.651 -3.115 -8.762 711 HD13 LEU 95 HD13 LEU 95 -1.272 -3.205 -9.876 712 HD21 LEU 95 HD21 LEU 95 -2.758 -3.214 -11.745 713 HD22 LEU 95 HD22 LEU 95 -4.224 -3.050 -10.763 714 HD23 LEU 95 HD23 LEU 95 -3.884 -1.871 -12.050 715 H LEU 96 H LEU 96 -6.548 -0.375 -9.253 716 HA LEU 96 HA LEU 96 -7.100 2.091 -7.635 717 HB2 LEU 96 HB2 LEU 96 -8.474 1.636 -9.701 718 HB3 LEU 96 HB3 LEU 96 -8.960 0.100 -8.976 719 HG LEU 96 HG LEU 96 -10.131 1.333 -7.158 720 HD11 LEU 96 HD11 LEU 96 -9.414 3.730 -8.882 721 HD12 LEU 96 HD12 LEU 96 -10.617 3.758 -7.604 722 HD13 LEU 96 HD13 LEU 96 -8.917 3.463 -7.175 723 HD21 LEU 96 HD21 LEU 96 -11.297 0.584 -9.224 724 HD22 LEU 96 HD22 LEU 96 -11.968 2.117 -8.646 725 HD23 LEU 96 HD23 LEU 96 -10.838 2.113 -10.022 726 H ILE 97 H ILE 97 -6.772 1.667 -5.486 727 HA ILE 97 HA ILE 97 -7.410 -1.053 -4.429 728 HB ILE 97 HB ILE 97 -5.917 1.054 -2.863 729 HG12 ILE 97 HG12 ILE 97 -3.844 -0.400 -3.570 730 HG13 ILE 97 HG13 ILE 97 -4.765 -0.718 -5.035 731 HG21 ILE 97 HG21 ILE 97 -5.894 -1.997 -2.808 732 HG22 ILE 97 HG22 ILE 97 -5.023 -0.920 -1.699 733 HG23 ILE 97 HG23 ILE 97 -6.781 -0.956 -1.676 734 HD11 ILE 97 HD11 ILE 97 -3.096 1.181 -5.098 735 HD12 ILE 97 HD12 ILE 97 -4.717 1.641 -5.625 736 HD13 ILE 97 HD13 ILE 97 -4.139 2.088 -3.998 737 H CYS 98 H CYS 98 -9.082 -1.426 -3.099 738 HA CYS 98 HA CYS 98 -10.633 0.822 -1.931 739 HB2 CYS 98 HB2 CYS 98 -11.064 -2.191 -1.856 740 HB3 CYS 98 HB3 CYS 98 -12.171 -0.978 -1.197 741 HG CYS 98 HG CYS 98 -12.690 0.228 -3.436 742 H ALA 99 H ALA 99 -9.702 1.727 -0.128 743 HA ALA 99 HA ALA 99 -7.967 0.142 1.600 744 HB1 ALA 99 HB1 ALA 99 -8.940 3.022 1.780 745 HB2 ALA 99 HB2 ALA 99 -7.680 2.286 2.789 746 HB3 ALA 99 HB3 ALA 99 -7.422 2.462 1.040 747 H THR 100 H THR 100 -8.802 -1.227 3.040 748 HA THR 100 HA THR 100 -11.152 -0.375 4.690 749 HB THR 100 HB THR 100 -11.324 -2.380 3.111 750 HG1 THR 100 HG1 THR 100 -12.488 -3.512 4.892 751 HG21 THR 100 HG21 THR 100 -9.257 -3.574 3.852 752 HG22 THR 100 HG22 THR 100 -10.022 -3.846 5.437 753 HG23 THR 100 HG23 THR 100 -10.729 -4.546 3.970 754 H HIS 101 H HIS 101 -7.983 -0.170 5.036 755 HA HIS 101 HA HIS 101 -8.100 -0.554 7.965 756 HB2 HIS 101 HB2 HIS 101 -5.677 -1.174 6.238 757 HB3 HIS 101 HB3 HIS 101 -5.876 -1.479 7.956 758 HD1 HIS 101 HD1 HIS 101 -6.291 -3.106 4.615 759 HD2 HIS 101 HD2 HIS 101 -7.551 -3.623 8.599 760 HE1 HIS 101 HE1 HIS 101 -7.253 -5.459 4.765 761 H VAL 102 H VAL 102 -7.195 1.180 9.077 762 HA VAL 102 HA VAL 102 -5.688 3.261 7.540 763 HB VAL 102 HB VAL 102 -5.518 4.459 9.712 764 HG11 VAL 102 HG11 VAL 102 -8.362 3.811 8.871 765 HG12 VAL 102 HG12 VAL 102 -7.808 5.264 9.737 766 HG13 VAL 102 HG13 VAL 102 -7.262 4.965 8.076 767 HG21 VAL 102 HG21 VAL 102 -5.775 2.524 11.267 768 HG22 VAL 102 HG22 VAL 102 -6.863 3.871 11.624 769 HG23 VAL 102 HG23 VAL 102 -7.491 2.430 10.816 770 H GLY 103 H GLY 103 -3.496 3.993 8.609 771 HA2 GLY 103 HA2 GLY 103 -1.782 1.856 7.951 772 HA3 GLY 103 HA3 GLY 103 -1.296 3.327 8.760 773 H ALA 104 H ALA 104 -2.619 3.065 11.245 774 HA ALA 104 HA ALA 104 -0.941 1.295 12.713 775 HB1 ALA 104 HB1 ALA 104 -2.054 3.341 13.612 776 HB2 ALA 104 HB2 ALA 104 -3.627 2.526 13.498 777 HB3 ALA 104 HB3 ALA 104 -2.382 1.913 14.606 778 H ASP 105 H ASP 105 -4.118 0.704 11.260 779 HA ASP 105 HA ASP 105 -4.634 -1.798 12.662 780 HB2 ASP 105 HB2 ASP 105 -6.315 -0.031 11.890 781 HB3 ASP 105 HB3 ASP 105 -6.021 -0.593 10.249 782 H THR 106 H THR 106 -2.707 -0.919 9.945 783 HA THR 106 HA THR 106 -3.234 -3.188 8.242 784 HB THR 106 HB THR 106 -1.236 -2.615 7.003 785 HG1 THR 106 HG1 THR 106 -0.735 -0.631 8.934 786 HG21 THR 106 HG21 THR 106 -1.740 -0.361 6.281 787 HG22 THR 106 HG22 THR 106 -3.208 -1.353 6.456 788 HG23 THR 106 HG23 THR 106 -2.805 -0.141 7.680 789 H THR 107 H THR 107 -2.005 -4.990 7.756 790 HA THR 107 HA THR 107 -0.772 -6.442 9.863 791 HB THR 107 HB THR 107 -1.678 -7.468 7.855 792 HG1 THR 107 HG1 THR 107 -0.197 -8.626 9.033 793 HG21 THR 107 HG21 THR 107 0.819 -6.561 6.360 794 HG22 THR 107 HG22 THR 107 -0.498 -7.579 5.751 795 HG23 THR 107 HG23 THR 107 -0.812 -5.881 6.113 796 H LEU 108 H LEU 108 0.739 -4.235 7.521 797 HA LEU 108 HA LEU 108 3.463 -4.798 8.099 798 HB2 LEU 108 HB2 LEU 108 2.382 -3.425 6.171 799 HB3 LEU 108 HB3 LEU 108 2.289 -2.098 7.319 800 HG LEU 108 HG LEU 108 4.900 -2.563 7.639 801 HD11 LEU 108 HD11 LEU 108 5.001 -4.607 6.254 802 HD12 LEU 108 HD12 LEU 108 4.308 -3.719 4.875 803 HD13 LEU 108 HD13 LEU 108 5.915 -3.290 5.477 804 HD21 LEU 108 HD21 LEU 108 3.817 -1.300 5.094 805 HD22 LEU 108 HD22 LEU 108 3.940 -0.514 6.695 806 HD23 LEU 108 HD23 LEU 108 5.400 -1.007 5.828 807 H SER 109 H SER 109 1.302 -2.281 9.496 808 HA SER 109 HA SER 109 3.302 -1.315 11.347 809 HB2 SER 109 HB2 SER 109 1.305 -0.077 10.330 810 HB3 SER 109 HB3 SER 109 0.334 -0.828 11.616 811 HG SER 109 HG SER 109 1.605 1.376 11.839 812 H GLN 110 H GLN 110 0.880 -3.866 11.507 813 HA GLN 110 HA GLN 110 0.957 -4.289 14.347 814 HB2 GLN 110 HB2 GLN 110 -0.772 -5.073 12.579 815 HB3 GLN 110 HB3 GLN 110 0.347 -6.370 12.218 816 HG2 GLN 110 HG2 GLN 110 -1.200 -7.253 13.757 817 HG3 GLN 110 HG3 GLN 110 0.269 -6.996 14.706 818 HE21 GLN 110 HE22 GLN 110 -2.866 -5.419 13.809 819 HE22 GLN 110 HE21 GLN 110 -2.832 -4.311 15.161 820 H ILE 111 H ILE 111 2.799 -5.768 11.647 821 HA ILE 111 HA ILE 111 4.326 -7.622 13.138 822 HB ILE 111 HB ILE 111 4.984 -6.041 10.632 823 HG12 ILE 111 HG12 ILE 111 4.371 -9.014 10.945 824 HG13 ILE 111 HG13 ILE 111 3.098 -7.826 10.730 825 HG21 ILE 111 HG21 ILE 111 6.596 -8.340 11.840 826 HG22 ILE 111 HG22 ILE 111 6.838 -7.659 10.222 827 HG23 ILE 111 HG23 ILE 111 7.154 -6.663 11.630 828 HD11 ILE 111 HD11 ILE 111 4.120 -7.099 8.575 829 HD12 ILE 111 HD12 ILE 111 5.318 -8.408 8.734 830 HD13 ILE 111 HD13 ILE 111 3.596 -8.794 8.589 831 H VAL 112 H VAL 112 5.285 -4.207 12.390 832 HA VAL 112 HA VAL 112 7.531 -4.333 14.155 833 HB VAL 112 HB VAL 112 7.712 -1.920 13.983 834 HG11 VAL 112 HG11 VAL 112 7.108 -3.171 11.277 835 HG12 VAL 112 HG12 VAL 112 8.228 -1.837 11.645 836 HG13 VAL 112 HG13 VAL 112 8.586 -3.470 12.218 837 HG21 VAL 112 HG21 VAL 112 5.331 -1.262 13.923 838 HG22 VAL 112 HG22 VAL 112 6.227 -0.610 12.546 839 HG23 VAL 112 HG23 VAL 112 5.170 -2.015 12.318 840 H LYS 113 H LYS 113 4.187 -3.810 15.019 841 HA LYS 113 HA LYS 113 4.770 -2.787 17.691 842 HB2 LYS 113 HB2 LYS 113 2.349 -4.215 16.512 843 HB3 LYS 113 HB3 LYS 113 2.471 -3.850 18.232 844 HG2 LYS 113 HG2 LYS 113 2.543 -1.501 17.855 845 HG3 LYS 113 HG3 LYS 113 2.873 -1.726 16.146 846 HD2 LYS 113 HD2 LYS 113 0.624 -0.926 16.445 847 HD3 LYS 113 HD3 LYS 113 0.620 -2.544 15.720 848 HE2 LYS 113 HE2 LYS 113 0.003 -3.584 17.765 849 HE3 LYS 113 HE3 LYS 113 0.412 -2.130 18.695 850 HZ1 LYS 113 HZ1 LYS 113 -2.004 -2.372 18.421 851 HZ2 LYS 113 HZ2 LYS 113 -1.457 -0.995 17.728 852 HZ3 LYS 113 HZ3 LYS 113 -1.878 -2.281 16.785 853 H LEU 114 H LEU 114 4.363 -6.087 16.375 854 HA LEU 114 HA LEU 114 4.634 -7.474 18.832 855 HB2 LEU 114 HB2 LEU 114 3.950 -8.116 16.281 856 HB3 LEU 114 HB3 LEU 114 5.594 -8.755 16.291 857 HG LEU 114 HG LEU 114 3.313 -9.500 18.158 858 HD11 LEU 114 HD11 LEU 114 4.726 -11.111 15.989 859 HD12 LEU 114 HD12 LEU 114 3.365 -11.651 16.996 860 HD13 LEU 114 HD13 LEU 114 3.131 -10.346 15.826 861 HD21 LEU 114 HD21 LEU 114 6.176 -10.516 18.008 862 HD22 LEU 114 HD22 LEU 114 5.344 -9.773 19.401 863 HD23 LEU 114 HD23 LEU 114 4.863 -11.380 18.852 864 H VAL 115 H VAL 115 7.135 -6.546 16.465 865 HA VAL 115 HA VAL 115 9.341 -7.811 17.898 866 HB VAL 115 HB VAL 115 9.388 -5.666 15.742 867 HG11 VAL 115 HG11 VAL 115 11.620 -7.450 16.835 868 HG12 VAL 115 HG12 VAL 115 11.732 -6.490 15.348 869 HG13 VAL 115 HG13 VAL 115 11.551 -5.674 16.897 870 HG21 VAL 115 HG21 VAL 115 9.740 -8.695 15.578 871 HG22 VAL 115 HG22 VAL 115 8.353 -7.775 14.957 872 HG23 VAL 115 HG23 VAL 115 9.943 -7.554 14.232 873 H GLU 116 H GLU 116 7.828 -4.665 18.114 874 HA GLU 116 HA GLU 116 9.995 -3.391 19.637 875 HB2 GLU 116 HB2 GLU 116 8.444 -2.175 18.166 876 HB3 GLU 116 HB3 GLU 116 7.106 -2.517 19.251 877 HG2 GLU 116 HG2 GLU 116 9.640 -0.990 19.994 878 HG3 GLU 116 HG3 GLU 116 8.179 -0.217 19.393 879 H GLU 117 H GLU 117 7.112 -5.266 20.421 880 HA GLU 117 HA GLU 117 7.115 -4.823 23.270 881 HB2 GLU 117 HB2 GLU 117 6.172 -7.111 21.518 882 HB3 GLU 117 HB3 GLU 117 5.881 -7.082 23.242 883 HG2 GLU 117 HG2 GLU 117 4.999 -4.724 21.564 884 HG3 GLU 117 HG3 GLU 117 4.105 -6.236 21.448 885 H ALA 118 H ALA 118 9.046 -6.986 21.214 886 HA ALA 118 HA ALA 118 10.224 -8.452 23.466 887 HB1 ALA 118 HB1 ALA 118 10.984 -8.352 20.517 888 HB2 ALA 118 HB2 ALA 118 11.585 -9.503 21.731 889 HB3 ALA 118 HB3 ALA 118 9.876 -9.519 21.272 890 H GLN 119 H GLN 119 11.431 -6.061 21.159 891 HA GLN 119 HA GLN 119 13.896 -5.464 22.241 892 HB2 GLN 119 HB2 GLN 119 11.931 -3.685 20.786 893 HB3 GLN 119 HB3 GLN 119 13.561 -3.162 21.226 894 HG2 GLN 119 HG2 GLN 119 12.736 -4.398 18.846 895 HG3 GLN 119 HG3 GLN 119 14.340 -3.816 19.301 896 HE21 GLN 119 HE22 GLN 119 12.160 -6.561 19.235 897 HE22 GLN 119 HE21 GLN 119 13.366 -7.678 19.874 Start of MODEL 15 1 H SER 1 H SER 1 18.601 -4.694 14.233 2 HA SER 1 HA SER 1 15.952 -3.523 14.852 3 HB2 SER 1 HB2 SER 1 18.774 -2.716 15.655 4 HB3 SER 1 HB3 SER 1 17.291 -1.895 16.171 5 HG SER 1 HG SER 1 16.639 -3.677 17.260 6 H GLU 2 H GLU 2 18.474 -3.226 12.516 7 HA GLU 2 HA GLU 2 17.828 -0.509 11.597 8 HB2 GLU 2 HB2 GLU 2 20.074 -1.831 11.353 9 HB3 GLU 2 HB3 GLU 2 19.265 -2.686 10.040 10 HG2 GLU 2 HG2 GLU 2 18.779 -0.382 9.041 11 HG3 GLU 2 HG3 GLU 2 19.902 0.270 10.232 12 H ALA 3 H ALA 3 17.256 -3.893 10.394 13 HA ALA 3 HA ALA 3 15.337 -3.331 8.468 14 HB1 ALA 3 HB1 ALA 3 15.578 -5.755 10.305 15 HB2 ALA 3 HB2 ALA 3 14.792 -5.709 8.711 16 HB3 ALA 3 HB3 ALA 3 16.546 -5.470 8.845 17 H LEU 4 H LEU 4 14.878 -3.543 11.984 18 HA LEU 4 HA LEU 4 11.990 -3.690 11.939 19 HB2 LEU 4 HB2 LEU 4 13.358 -4.379 13.880 20 HB3 LEU 4 HB3 LEU 4 13.920 -2.722 14.074 21 HG LEU 4 HG LEU 4 11.640 -1.968 14.603 22 HD11 LEU 4 HD11 LEU 4 11.007 -4.924 14.397 23 HD12 LEU 4 HD12 LEU 4 9.932 -3.719 15.167 24 HD13 LEU 4 HD13 LEU 4 10.311 -3.606 13.438 25 HD21 LEU 4 HD21 LEU 4 13.145 -2.545 16.363 26 HD22 LEU 4 HD22 LEU 4 11.483 -2.998 16.798 27 HD23 LEU 4 HD23 LEU 4 12.644 -4.257 16.292 28 H ALA 5 H ALA 5 14.233 -1.027 11.447 29 HA ALA 5 HA ALA 5 12.154 1.047 11.773 30 HB1 ALA 5 HB1 ALA 5 14.992 1.224 10.664 31 HB2 ALA 5 HB2 ALA 5 13.893 2.569 11.014 32 HB3 ALA 5 HB3 ALA 5 14.523 1.569 12.335 33 H LYS 6 H LYS 6 14.093 -0.538 9.200 34 HA LYS 6 HA LYS 6 13.315 0.750 7.024 35 HB2 LYS 6 HB2 LYS 6 14.960 -1.163 7.207 36 HB3 LYS 6 HB3 LYS 6 13.614 -2.286 7.081 37 HG2 LYS 6 HG2 LYS 6 14.816 -2.031 4.971 38 HG3 LYS 6 HG3 LYS 6 13.137 -1.511 4.810 39 HD2 LYS 6 HD2 LYS 6 13.779 0.823 4.866 40 HD3 LYS 6 HD3 LYS 6 15.462 0.398 5.258 41 HE2 LYS 6 HE2 LYS 6 15.782 -0.606 3.074 42 HE3 LYS 6 HE3 LYS 6 14.056 -0.511 2.714 43 HZ1 LYS 6 HZ1 LYS 6 14.202 1.886 2.733 44 HZ2 LYS 6 HZ2 LYS 6 15.774 1.884 3.122 45 HZ3 LYS 6 HZ3 LYS 6 15.282 1.313 1.653 46 H LEU 7 H LEU 7 11.269 -1.893 8.301 47 HA LEU 7 HA LEU 7 9.311 -1.956 6.257 48 HB2 LEU 7 HB2 LEU 7 9.187 -2.389 9.258 49 HB3 LEU 7 HB3 LEU 7 7.714 -2.420 8.313 50 HG LEU 7 HG LEU 7 8.488 -4.646 8.780 51 HD11 LEU 7 HD11 LEU 7 7.244 -4.296 6.711 52 HD12 LEU 7 HD12 LEU 7 8.761 -4.043 5.813 53 HD13 LEU 7 HD13 LEU 7 8.402 -5.616 6.547 54 HD21 LEU 7 HD21 LEU 7 10.888 -4.328 8.901 55 HD22 LEU 7 HD22 LEU 7 10.490 -5.617 7.761 56 HD23 LEU 7 HD23 LEU 7 10.972 -4.027 7.148 57 H ILE 8 H ILE 8 9.494 0.330 9.007 58 HA ILE 8 HA ILE 8 7.105 1.814 8.188 59 HB ILE 8 HB ILE 8 9.259 2.305 10.272 60 HG12 ILE 8 HG12 ILE 8 7.814 0.436 10.813 61 HG13 ILE 8 HG13 ILE 8 7.509 1.783 11.895 62 HG21 ILE 8 HG21 ILE 8 6.815 4.001 9.688 63 HG22 ILE 8 HG22 ILE 8 7.731 4.059 11.208 64 HG23 ILE 8 HG23 ILE 8 8.519 4.502 9.695 65 HD11 ILE 8 HD11 ILE 8 5.725 0.866 9.591 66 HD12 ILE 8 HD12 ILE 8 5.394 0.752 11.321 67 HD13 ILE 8 HD13 ILE 8 5.436 2.336 10.553 68 H SER 9 H SER 9 10.548 2.006 7.484 69 HA SER 9 HA SER 9 10.442 4.723 6.460 70 HB2 SER 9 HB2 SER 9 12.545 2.605 5.939 71 HB3 SER 9 HB3 SER 9 12.689 4.360 5.754 72 HG SER 9 HG SER 9 12.086 4.401 8.102 73 H LEU 10 H LEU 10 9.913 1.538 4.982 74 HA LEU 10 HA LEU 10 9.933 2.379 2.265 75 HB2 LEU 10 HB2 LEU 10 8.726 0.099 3.807 76 HB3 LEU 10 HB3 LEU 10 7.978 0.476 2.267 77 HG LEU 10 HG LEU 10 10.233 0.356 1.152 78 HD11 LEU 10 HD11 LEU 10 11.009 -1.003 3.764 79 HD12 LEU 10 HD12 LEU 10 11.997 -0.898 2.283 80 HD13 LEU 10 HD13 LEU 10 11.638 0.564 3.221 81 HD21 LEU 10 HD21 LEU 10 8.584 -1.485 1.076 82 HD22 LEU 10 HD22 LEU 10 10.237 -2.091 1.094 83 HD23 LEU 10 HD23 LEU 10 9.244 -2.140 2.581 84 H GLN 11 H GLN 11 7.642 3.345 4.684 85 HA GLN 11 HA GLN 11 5.272 3.349 3.100 86 HB2 GLN 11 HB2 GLN 11 5.991 4.642 5.731 87 HB3 GLN 11 HB3 GLN 11 4.395 4.717 5.001 88 HG2 GLN 11 HG2 GLN 11 4.440 2.163 4.814 89 HG3 GLN 11 HG3 GLN 11 5.862 2.199 5.872 90 HE21 GLN 11 HE22 GLN 11 5.486 3.592 7.961 91 HE22 GLN 11 HE21 GLN 11 3.875 3.412 8.666 92 H ALA 12 H ALA 12 3.888 5.143 2.651 93 HA ALA 12 HA ALA 12 5.332 7.307 1.206 94 HB1 ALA 12 HB1 ALA 12 3.290 7.437 -0.140 95 HB2 ALA 12 HB2 ALA 12 3.934 5.788 -0.130 96 HB3 ALA 12 HB3 ALA 12 2.521 6.196 0.872 97 H THR 13 H THR 13 4.603 9.434 1.240 98 HA THR 13 HA THR 13 3.647 10.340 3.853 99 HB THR 13 HB THR 13 4.395 12.067 1.479 100 HG1 THR 13 HG1 THR 13 6.482 11.804 1.974 101 HG21 THR 13 HG21 THR 13 5.314 13.560 3.236 102 HG22 THR 13 HG22 THR 13 3.579 13.304 3.451 103 HG23 THR 13 HG23 THR 13 4.735 12.437 4.488 104 H GLU 14 H GLU 14 2.204 9.923 0.727 105 HA GLU 14 HA GLU 14 -0.236 11.421 1.514 106 HB2 GLU 14 HB2 GLU 14 -0.233 12.782 -0.416 107 HB3 GLU 14 HB3 GLU 14 1.331 12.955 0.353 108 HG2 GLU 14 HG2 GLU 14 0.711 11.285 -2.117 109 HG3 GLU 14 HG3 GLU 14 1.430 12.894 -2.118 110 H ALA 15 H ALA 15 -2.021 11.217 -0.080 111 HA ALA 15 HA ALA 15 -2.026 8.720 -1.683 112 HB1 ALA 15 HB1 ALA 15 -4.158 8.015 -0.642 113 HB2 ALA 15 HB2 ALA 15 -2.856 8.094 0.558 114 HB3 ALA 15 HB3 ALA 15 -4.073 9.390 0.482 115 H THR 16 H THR 16 -3.707 8.602 -3.219 116 HA THR 16 HA THR 16 -5.099 11.161 -3.926 117 HB THR 16 HB THR 16 -4.130 8.984 -5.801 118 HG1 THR 16 HG1 THR 16 -2.703 10.706 -6.442 119 HG21 THR 16 HG21 THR 16 -5.330 11.746 -6.313 120 HG22 THR 16 HG22 THR 16 -4.598 10.700 -7.552 121 HG23 THR 16 HG23 THR 16 -6.072 10.187 -6.723 122 H ILE 17 H ILE 17 -7.140 10.918 -3.091 123 HA ILE 17 HA ILE 17 -8.555 8.320 -3.103 124 HB ILE 17 HB ILE 17 -9.787 10.952 -2.267 125 HG12 ILE 17 HG12 ILE 17 -7.916 9.305 -0.517 126 HG13 ILE 17 HG13 ILE 17 -7.678 10.964 -1.059 127 HG21 ILE 17 HG21 ILE 17 -10.186 8.101 -1.251 128 HG22 ILE 17 HG22 ILE 17 -11.143 9.527 -0.795 129 HG23 ILE 17 HG23 ILE 17 -11.233 8.919 -2.425 130 HD11 ILE 17 HD11 ILE 17 -9.776 10.010 0.917 131 HD12 ILE 17 HD12 ILE 17 -8.379 11.037 1.223 132 HD13 ILE 17 HD13 ILE 17 -9.712 11.655 0.229 133 H VAL 18 H VAL 18 -10.504 7.891 -4.343 134 HA VAL 18 HA VAL 18 -11.185 9.939 -6.430 135 HB VAL 18 HB VAL 18 -11.038 6.945 -6.884 136 HG11 VAL 18 HG11 VAL 18 -11.660 9.261 -8.757 137 HG12 VAL 18 HG12 VAL 18 -11.358 7.589 -9.270 138 HG13 VAL 18 HG13 VAL 18 -12.761 7.959 -8.265 139 HG21 VAL 18 HG21 VAL 18 -9.173 7.533 -8.459 140 HG22 VAL 18 HG22 VAL 18 -9.140 9.154 -7.732 141 HG23 VAL 18 HG23 VAL 18 -8.774 7.730 -6.748 142 H THR 19 H THR 19 -13.189 10.627 -6.249 143 HA THR 19 HA THR 19 -15.351 8.758 -5.338 144 HB THR 19 HB THR 19 -15.258 11.757 -4.899 145 HG1 THR 19 HG1 THR 19 -14.551 11.368 -2.954 146 HG21 THR 19 HG21 THR 19 -17.128 9.567 -3.887 147 HG22 THR 19 HG22 THR 19 -17.061 11.206 -3.216 148 HG23 THR 19 HG23 THR 19 -17.552 10.966 -4.894 149 H LEU 20 H LEU 20 -17.343 8.816 -6.426 150 HA LEU 20 HA LEU 20 -17.211 10.022 -9.113 151 HB2 LEU 20 HB2 LEU 20 -18.770 7.573 -8.195 152 HB3 LEU 20 HB3 LEU 20 -18.501 8.157 -9.825 153 HG LEU 20 HG LEU 20 -15.907 7.915 -9.134 154 HD11 LEU 20 HD11 LEU 20 -15.501 5.914 -7.786 155 HD12 LEU 20 HD12 LEU 20 -16.328 7.088 -6.782 156 HD13 LEU 20 HD13 LEU 20 -17.230 5.727 -7.459 157 HD21 LEU 20 HD21 LEU 20 -15.879 5.677 -10.083 158 HD22 LEU 20 HD22 LEU 20 -17.627 5.519 -9.809 159 HD23 LEU 20 HD23 LEU 20 -16.990 6.721 -10.978 160 H ASP 21 H ASP 21 -17.992 11.994 -8.642 161 HA ASP 21 HA ASP 21 -20.165 12.655 -7.035 162 HB2 ASP 21 HB2 ASP 21 -18.197 14.056 -8.412 163 HB3 ASP 21 HB3 ASP 21 -19.632 14.530 -9.267 164 H SER 22 H SER 22 -20.608 11.132 -9.954 165 HA SER 22 HA SER 22 -23.343 12.300 -10.383 166 HB2 SER 22 HB2 SER 22 -21.571 11.147 -12.550 167 HB3 SER 22 HB3 SER 22 -23.253 11.640 -12.740 168 HG SER 22 HG SER 22 -21.874 13.215 -13.454 169 H ASP 23 H ASP 23 -22.322 9.458 -12.087 170 HA ASP 23 HA ASP 23 -23.613 7.539 -10.248 171 HB2 ASP 23 HB2 ASP 23 -25.370 8.706 -11.661 172 HB3 ASP 23 HB3 ASP 23 -24.586 8.056 -13.093 173 H ASN 24 H ASN 24 -21.139 7.293 -10.413 174 HA ASN 24 HA ASN 24 -19.208 6.459 -11.041 175 HB2 ASN 24 HB2 ASN 24 -20.690 4.227 -12.402 176 HB3 ASN 24 HB3 ASN 24 -19.132 4.138 -11.612 177 HD21 ASN 24 HD22 ASN 24 -22.273 3.478 -11.211 178 HD22 ASN 24 HD21 ASN 24 -22.229 3.356 -9.459 179 H ILE 25 H ILE 25 -21.028 7.481 -13.695 180 HA ILE 25 HA ILE 25 -19.058 7.048 -15.744 181 HB ILE 25 HB ILE 25 -20.513 8.508 -17.071 182 HG12 ILE 25 HG12 ILE 25 -22.063 8.973 -14.470 183 HG13 ILE 25 HG13 ILE 25 -21.076 10.174 -15.306 184 HG21 ILE 25 HG21 ILE 25 -22.176 6.573 -15.381 185 HG22 ILE 25 HG22 ILE 25 -22.448 7.051 -17.065 186 HG23 ILE 25 HG23 ILE 25 -21.043 6.074 -16.650 187 HD11 ILE 25 HD11 ILE 25 -22.588 10.042 -17.270 188 HD12 ILE 25 HD12 ILE 25 -23.622 8.899 -16.370 189 HD13 ILE 25 HD13 ILE 25 -23.403 10.548 -15.773 190 H LEU 26 H LEU 26 -18.979 9.157 -13.176 191 HA LEU 26 HA LEU 26 -17.152 11.116 -14.482 192 HB2 LEU 26 HB2 LEU 26 -19.297 12.118 -14.133 193 HB3 LEU 26 HB3 LEU 26 -19.342 11.586 -12.457 194 HG LEU 26 HG LEU 26 -16.930 13.224 -13.019 195 HD11 LEU 26 HD11 LEU 26 -19.660 14.511 -13.296 196 HD12 LEU 26 HD12 LEU 26 -18.085 15.348 -13.204 197 HD13 LEU 26 HD13 LEU 26 -18.461 14.305 -14.597 198 HD21 LEU 26 HD21 LEU 26 -19.211 13.449 -11.078 199 HD22 LEU 26 HD22 LEU 26 -17.660 12.618 -10.784 200 HD23 LEU 26 HD23 LEU 26 -17.690 14.377 -11.014 201 H LEU 27 H LEU 27 -15.363 11.648 -13.385 202 HA LEU 27 HA LEU 27 -14.732 10.296 -10.771 203 HB2 LEU 27 HB2 LEU 27 -12.904 10.665 -13.182 204 HB3 LEU 27 HB3 LEU 27 -12.403 10.094 -11.605 205 HG LEU 27 HG LEU 27 -12.479 8.239 -13.002 206 HD11 LEU 27 HD11 LEU 27 -15.001 8.096 -11.323 207 HD12 LEU 27 HD12 LEU 27 -13.994 6.742 -11.844 208 HD13 LEU 27 HD13 LEU 27 -13.348 7.922 -10.698 209 HD21 LEU 27 HD21 LEU 27 -14.150 9.178 -14.702 210 HD22 LEU 27 HD22 LEU 27 -14.213 7.444 -14.356 211 HD23 LEU 27 HD23 LEU 27 -15.421 8.516 -13.652 212 H SER 28 H SER 28 -14.156 11.583 -9.176 213 HA SER 28 HA SER 28 -12.872 14.251 -9.674 214 HB2 SER 28 HB2 SER 28 -15.235 14.549 -9.158 215 HB3 SER 28 HB3 SER 28 -15.104 13.465 -7.763 216 HG SER 28 HG SER 28 -15.019 15.489 -7.012 217 H GLU 29 H GLU 29 -10.757 14.015 -8.915 218 HA GLU 29 HA GLU 29 -10.329 12.159 -6.685 219 HB2 GLU 29 HB2 GLU 29 -8.201 13.199 -8.545 220 HB3 GLU 29 HB3 GLU 29 -8.188 11.793 -7.505 221 HG2 GLU 29 HG2 GLU 29 -8.480 10.855 -9.604 222 HG3 GLU 29 HG3 GLU 29 -10.109 10.861 -8.936 223 H GLU 30 H GLU 30 -9.264 12.589 -4.871 224 HA GLU 30 HA GLU 30 -8.532 15.431 -4.232 225 HB2 GLU 30 HB2 GLU 30 -9.168 13.217 -2.269 226 HB3 GLU 30 HB3 GLU 30 -9.006 14.930 -1.940 227 HG2 GLU 30 HG2 GLU 30 -11.244 13.603 -3.540 228 HG3 GLU 30 HG3 GLU 30 -11.333 14.108 -1.866 229 H GLN 31 H GLN 31 -6.394 15.860 -3.553 230 HA GLN 31 HA GLN 31 -4.507 13.541 -3.257 231 HB2 GLN 31 HB2 GLN 31 -4.009 16.372 -4.177 232 HB3 GLN 31 HB3 GLN 31 -2.777 15.199 -3.717 233 HG2 GLN 31 HG2 GLN 31 -4.078 13.627 -5.455 234 HG3 GLN 31 HG3 GLN 31 -4.622 15.173 -6.116 235 HE21 GLN 31 HE21 GLN 31 -1.701 13.370 -5.073 236 HE22 GLN 31 HE22 GLN 31 -0.637 14.101 -6.252 237 H VAL 32 H VAL 32 -3.972 13.207 -1.156 238 HA VAL 32 HA VAL 32 -4.136 15.454 0.823 239 HB VAL 32 HB VAL 32 -5.376 14.097 2.364 240 HG11 VAL 32 HG11 VAL 32 -7.550 14.016 1.331 241 HG12 VAL 32 HG12 VAL 32 -6.680 15.432 0.713 242 HG13 VAL 32 HG13 VAL 32 -6.849 13.968 -0.294 243 HG21 VAL 32 HG21 VAL 32 -4.614 11.824 1.779 244 HG22 VAL 32 HG22 VAL 32 -6.369 11.931 1.802 245 HG23 VAL 32 HG23 VAL 32 -5.508 11.910 0.243 246 H ASP 33 H ASP 33 -3.076 15.143 2.805 247 HA ASP 33 HA ASP 33 -0.651 13.449 2.736 248 HB2 ASP 33 HB2 ASP 33 -1.869 15.288 4.815 249 HB3 ASP 33 HB3 ASP 33 -0.572 14.179 5.224 250 H VAL 34 H VAL 34 -0.255 11.618 3.969 251 HA VAL 34 HA VAL 34 -2.325 9.762 3.909 252 HB VAL 34 HB VAL 34 0.073 9.278 3.724 253 HG11 VAL 34 HG11 VAL 34 0.158 9.331 6.770 254 HG12 VAL 34 HG12 VAL 34 1.471 8.894 5.657 255 HG13 VAL 34 HG13 VAL 34 0.882 10.558 5.702 256 HG21 VAL 34 HG21 VAL 34 0.037 7.063 4.678 257 HG22 VAL 34 HG22 VAL 34 -1.282 7.495 5.778 258 HG23 VAL 34 HG23 VAL 34 -1.563 7.444 4.024 259 H GLU 35 H GLU 35 -1.508 11.716 6.757 260 HA GLU 35 HA GLU 35 -3.064 10.097 8.595 261 HB2 GLU 35 HB2 GLU 35 -1.150 11.599 9.119 262 HB3 GLU 35 HB3 GLU 35 -2.206 12.997 8.880 263 HG2 GLU 35 HG2 GLU 35 -3.546 12.323 10.802 264 HG3 GLU 35 HG3 GLU 35 -2.697 10.773 10.908 265 H LEU 36 H LEU 36 -4.122 12.093 6.067 266 HA LEU 36 HA LEU 36 -6.688 12.851 7.366 267 HB2 LEU 36 HB2 LEU 36 -5.603 13.627 4.636 268 HB3 LEU 36 HB3 LEU 36 -6.918 14.393 5.515 269 HG LEU 36 HG LEU 36 -3.959 14.501 6.251 270 HD11 LEU 36 HD11 LEU 36 -5.880 16.647 5.258 271 HD12 LEU 36 HD12 LEU 36 -4.173 16.876 5.687 272 HD13 LEU 36 HD13 LEU 36 -4.606 15.870 4.297 273 HD21 LEU 36 HD21 LEU 36 -5.333 14.545 8.299 274 HD22 LEU 36 HD22 LEU 36 -4.647 16.133 7.961 275 HD23 LEU 36 HD23 LEU 36 -6.356 15.819 7.596 276 H VAL 37 H VAL 37 -5.687 10.221 5.703 277 HA VAL 37 HA VAL 37 -8.432 9.721 4.637 278 HB VAL 37 HB VAL 37 -6.745 9.705 2.891 279 HG11 VAL 37 HG11 VAL 37 -5.498 7.343 4.351 280 HG12 VAL 37 HG12 VAL 37 -5.116 7.862 2.696 281 HG13 VAL 37 HG13 VAL 37 -4.758 8.934 4.051 282 HG21 VAL 37 HG21 VAL 37 -8.783 8.285 2.733 283 HG22 VAL 37 HG22 VAL 37 -7.398 7.688 1.811 284 HG23 VAL 37 HG23 VAL 37 -7.830 6.907 3.340 285 H GLN 38 H GLN 38 -9.410 7.774 5.067 286 HA GLN 38 HA GLN 38 -8.452 6.205 7.423 287 HB2 GLN 38 HB2 GLN 38 -11.288 7.201 6.861 288 HB3 GLN 38 HB3 GLN 38 -10.830 6.111 8.154 289 HG2 GLN 38 HG2 GLN 38 -9.582 7.829 9.299 290 HG3 GLN 38 HG3 GLN 38 -9.688 8.918 7.901 291 HE21 GLN 38 HE22 GLN 38 -11.792 7.301 10.307 292 HE22 GLN 38 HE21 GLN 38 -13.099 8.439 9.958 293 H ARG 39 H ARG 39 -10.012 4.171 7.569 294 HA ARG 39 HA ARG 39 -9.838 2.688 5.008 295 HB2 ARG 39 HB2 ARG 39 -10.613 0.790 6.226 296 HB3 ARG 39 HB3 ARG 39 -9.423 1.616 7.234 297 HG2 ARG 39 HG2 ARG 39 -11.560 2.764 8.302 298 HG3 ARG 39 HG3 ARG 39 -12.438 1.436 7.557 299 HD2 ARG 39 HD2 ARG 39 -10.998 -0.192 8.757 300 HD3 ARG 39 HD3 ARG 39 -10.065 1.143 9.451 301 HE ARG 39 HE ARG 39 -11.774 1.613 10.967 302 HH11 ARG 39 HH11 ARG 39 -13.060 -0.759 8.689 303 HH12 ARG 39 HH12 ARG 39 -14.449 -1.062 9.713 304 HH21 ARG 39 HH21 ARG 39 -13.531 1.194 12.130 305 HH22 ARG 39 HH22 ARG 39 -14.692 -0.028 11.615 306 H GLY 40 H GLY 40 -11.734 1.871 3.766 307 HA2 GLY 40 HA2 GLY 40 -14.073 1.699 3.423 308 HA3 GLY 40 HA3 GLY 40 -14.359 3.107 4.445 309 H ASP 41 H ASP 41 -11.732 3.057 2.040 310 HA ASP 41 HA ASP 41 -13.240 4.799 0.202 311 HB2 ASP 41 HB2 ASP 41 -10.776 5.556 1.800 312 HB3 ASP 41 HB3 ASP 41 -10.996 6.210 0.181 313 H ILE 42 H ILE 42 -11.963 5.246 -1.819 314 HA ILE 42 HA ILE 42 -10.201 2.964 -2.568 315 HB ILE 42 HB ILE 42 -12.405 4.183 -4.235 316 HG12 ILE 42 HG12 ILE 42 -11.807 1.298 -3.429 317 HG13 ILE 42 HG13 ILE 42 -12.965 2.326 -2.600 318 HG21 ILE 42 HG21 ILE 42 -10.198 2.255 -5.104 319 HG22 ILE 42 HG22 ILE 42 -11.606 2.717 -6.085 320 HG23 ILE 42 HG23 ILE 42 -10.414 3.930 -5.672 321 HD11 ILE 42 HD11 ILE 42 -14.199 0.890 -4.045 322 HD12 ILE 42 HD12 ILE 42 -14.263 2.512 -4.759 323 HD13 ILE 42 HD13 ILE 42 -13.184 1.274 -5.442 324 H ILE 43 H ILE 43 -8.297 3.456 -3.262 325 HA ILE 43 HA ILE 43 -7.562 6.281 -3.797 326 HB ILE 43 HB ILE 43 -5.877 3.985 -2.736 327 HG12 ILE 43 HG12 ILE 43 -7.623 4.228 -1.097 328 HG13 ILE 43 HG13 ILE 43 -6.108 4.835 -0.470 329 HG21 ILE 43 HG21 ILE 43 -5.448 6.993 -2.626 330 HG22 ILE 43 HG22 ILE 43 -4.391 5.765 -1.900 331 HG23 ILE 43 HG23 ILE 43 -4.581 5.840 -3.652 332 HD11 ILE 43 HD11 ILE 43 -8.070 6.224 0.156 333 HD12 ILE 43 HD12 ILE 43 -6.846 7.151 -0.738 334 HD13 ILE 43 HD13 ILE 43 -8.338 6.615 -1.545 335 H LYS 44 H LYS 44 -6.675 6.764 -5.791 336 HA LYS 44 HA LYS 44 -5.875 4.663 -7.679 337 HB2 LYS 44 HB2 LYS 44 -6.972 6.643 -8.478 338 HB3 LYS 44 HB3 LYS 44 -5.622 7.653 -7.912 339 HG2 LYS 44 HG2 LYS 44 -4.073 6.522 -9.405 340 HG3 LYS 44 HG3 LYS 44 -5.273 5.304 -9.852 341 HD2 LYS 44 HD2 LYS 44 -5.679 8.243 -10.389 342 HD3 LYS 44 HD3 LYS 44 -4.756 7.181 -11.481 343 HE2 LYS 44 HE2 LYS 44 -6.815 5.667 -11.542 344 HE3 LYS 44 HE3 LYS 44 -7.697 6.987 -10.745 345 HZ1 LYS 44 HZ1 LYS 44 -7.980 7.186 -13.100 346 HZ2 LYS 44 HZ2 LYS 44 -6.998 8.412 -12.653 347 HZ3 LYS 44 HZ3 LYS 44 -6.377 7.090 -13.411 348 H VAL 45 H VAL 45 -3.933 3.769 -7.960 349 HA VAL 45 HA VAL 45 -1.521 5.194 -6.949 350 HB VAL 45 HB VAL 45 -2.054 3.179 -5.686 351 HG11 VAL 45 HG11 VAL 45 -1.558 1.623 -8.247 352 HG12 VAL 45 HG12 VAL 45 -1.775 0.963 -6.616 353 HG13 VAL 45 HG13 VAL 45 -3.114 1.821 -7.397 354 HG21 VAL 45 HG21 VAL 45 0.312 3.889 -5.932 355 HG22 VAL 45 HG22 VAL 45 0.148 2.130 -5.775 356 HG23 VAL 45 HG23 VAL 45 0.475 2.849 -7.366 357 H VAL 46 H VAL 46 -0.014 5.751 -8.325 358 HA VAL 46 HA VAL 46 -0.572 5.255 -11.195 359 HB VAL 46 HB VAL 46 0.402 7.330 -11.678 360 HG11 VAL 46 HG11 VAL 46 -1.842 7.435 -10.637 361 HG12 VAL 46 HG12 VAL 46 -1.071 7.791 -9.071 362 HG13 VAL 46 HG13 VAL 46 -0.881 8.908 -10.432 363 HG21 VAL 46 HG21 VAL 46 1.515 7.448 -8.859 364 HG22 VAL 46 HG22 VAL 46 2.435 7.304 -10.368 365 HG23 VAL 46 HG23 VAL 46 1.529 8.778 -10.033 366 HA PRO 47 HA PRO 47 3.224 3.228 -12.185 367 HB2 PRO 47 HB2 PRO 47 3.965 5.473 -14.072 368 HB3 PRO 47 HB3 PRO 47 3.987 3.708 -14.366 369 HG2 PRO 47 HG2 PRO 47 1.946 5.182 -15.323 370 HG3 PRO 47 HG3 PRO 47 1.581 3.637 -14.479 371 HD2 PRO 47 HD2 PRO 47 1.524 6.444 -13.345 372 HD3 PRO 47 HD3 PRO 47 0.264 5.171 -13.243 373 H GLY 48 H GLY 48 5.070 3.049 -11.058 374 HA2 GLY 48 HA2 GLY 48 7.028 3.583 -9.943 375 HA3 GLY 48 HA3 GLY 48 6.877 5.259 -10.462 376 H GLY 49 H GLY 49 3.951 4.674 -8.995 377 HA2 GLY 49 HA2 GLY 49 4.689 5.886 -6.444 378 HA3 GLY 49 HA3 GLY 49 3.082 5.409 -6.982 379 H LYS 50 H LYS 50 3.332 4.935 -4.519 380 HA LYS 50 HA LYS 50 3.926 2.017 -4.134 381 HB2 LYS 50 HB2 LYS 50 4.017 4.199 -2.027 382 HB3 LYS 50 HB3 LYS 50 4.460 2.496 -1.839 383 HG2 LYS 50 HG2 LYS 50 6.379 2.843 -3.387 384 HG3 LYS 50 HG3 LYS 50 5.970 4.576 -3.468 385 HD2 LYS 50 HD2 LYS 50 6.139 4.702 -0.971 386 HD3 LYS 50 HD3 LYS 50 6.638 2.996 -0.945 387 HE2 LYS 50 HE2 LYS 50 8.613 3.557 -2.320 388 HE3 LYS 50 HE3 LYS 50 8.114 5.253 -2.372 389 HZ1 LYS 50 HZ1 LYS 50 9.780 4.663 -0.624 390 HZ2 LYS 50 HZ2 LYS 50 8.454 5.440 -0.056 391 HZ3 LYS 50 HZ3 LYS 50 8.593 3.818 0.177 392 H PHE 51 H PHE 51 2.655 0.931 -2.577 393 HA PHE 51 HA PHE 51 -0.170 1.777 -2.421 394 HB2 PHE 51 HB2 PHE 51 1.196 -0.721 -1.371 395 HB3 PHE 51 HB3 PHE 51 -0.537 -0.428 -1.427 396 HD1 PHE 51 HD2 PHE 51 2.490 -1.138 -3.437 397 HD2 PHE 51 HD1 PHE 51 -1.779 -0.615 -3.557 398 HE1 PHE 51 HE2 PHE 51 2.470 -1.950 -5.766 399 HE2 PHE 51 HE1 PHE 51 -1.802 -1.530 -5.873 400 HZ PHE 51 HZ PHE 51 0.316 -2.148 -6.999 401 HA PRO 52 HA PRO 52 1.140 3.687 1.415 402 HB2 PRO 52 HB2 PRO 52 -1.012 5.241 2.027 403 HB3 PRO 52 HB3 PRO 52 0.042 5.546 0.614 404 HG2 PRO 52 HG2 PRO 52 -2.614 4.073 0.664 405 HG3 PRO 52 HG3 PRO 52 -2.093 5.382 -0.445 406 HD2 PRO 52 HD2 PRO 52 -1.916 2.734 -1.119 407 HD3 PRO 52 HD3 PRO 52 -0.704 3.936 -1.657 408 H VAL 53 H VAL 53 -1.403 1.369 1.421 409 HA VAL 53 HA VAL 53 -1.215 0.728 4.203 410 HB VAL 53 HB VAL 53 -3.783 0.735 4.465 411 HG11 VAL 53 HG11 VAL 53 -2.285 3.360 4.787 412 HG12 VAL 53 HG12 VAL 53 -3.732 2.831 5.661 413 HG13 VAL 53 HG13 VAL 53 -2.199 1.980 5.904 414 HG21 VAL 53 HG21 VAL 53 -4.289 1.648 2.174 415 HG22 VAL 53 HG22 VAL 53 -4.991 2.583 3.514 416 HG23 VAL 53 HG23 VAL 53 -3.549 3.193 2.687 417 H ASP 54 H ASP 54 -2.489 -1.377 4.584 418 HA ASP 54 HA ASP 54 -2.195 -2.958 2.121 419 HB2 ASP 54 HB2 ASP 54 -1.868 -4.797 3.325 420 HB3 ASP 54 HB3 ASP 54 -1.271 -3.607 4.454 421 H GLY 55 H GLY 55 -3.735 -4.214 1.056 422 HA2 GLY 55 HA2 GLY 55 -6.513 -4.357 1.685 423 HA3 GLY 55 HA3 GLY 55 -6.231 -2.860 0.802 424 H ARG 56 H ARG 56 -7.416 -3.464 -0.908 425 HA ARG 56 HA ARG 56 -6.431 -5.700 -2.670 426 HB2 ARG 56 HB2 ARG 56 -8.191 -6.688 -1.565 427 HB3 ARG 56 HB3 ARG 56 -9.162 -5.229 -1.543 428 HG2 ARG 56 HG2 ARG 56 -9.721 -5.464 -3.889 429 HG3 ARG 56 HG3 ARG 56 -8.617 -6.834 -4.079 430 HD2 ARG 56 HD2 ARG 56 -10.970 -7.564 -3.906 431 HD3 ARG 56 HD3 ARG 56 -9.959 -8.211 -2.612 432 HE ARG 56 HE ARG 56 -10.957 -6.704 -1.033 433 HH11 ARG 56 HH11 ARG 56 -12.891 -6.780 -4.004 434 HH12 ARG 56 HH12 ARG 56 -14.042 -5.676 -3.271 435 HH21 ARG 56 HH21 ARG 56 -12.473 -5.520 -0.258 436 HH22 ARG 56 HH22 ARG 56 -13.917 -5.136 -1.196 437 H VAL 57 H VAL 57 -6.678 -5.634 -4.812 438 HA VAL 57 HA VAL 57 -6.843 -2.955 -6.099 439 HB VAL 57 HB VAL 57 -5.857 -5.561 -7.338 440 HG11 VAL 57 HG11 VAL 57 -5.204 -2.649 -7.949 441 HG12 VAL 57 HG12 VAL 57 -4.542 -4.058 -8.794 442 HG13 VAL 57 HG13 VAL 57 -6.267 -3.697 -8.913 443 HG21 VAL 57 HG21 VAL 57 -3.532 -4.859 -6.823 444 HG22 VAL 57 HG22 VAL 57 -4.173 -3.607 -5.742 445 HG23 VAL 57 HG23 VAL 57 -4.447 -5.322 -5.390 446 H ILE 58 H ILE 58 -8.685 -2.479 -7.290 447 HA ILE 58 HA ILE 58 -10.160 -4.720 -8.615 448 HB ILE 58 HB ILE 58 -12.348 -3.574 -7.855 449 HG12 ILE 58 HG12 ILE 58 -10.638 -2.683 -5.509 450 HG13 ILE 58 HG13 ILE 58 -11.015 -1.587 -6.850 451 HG21 ILE 58 HG21 ILE 58 -12.517 -4.982 -5.909 452 HG22 ILE 58 HG22 ILE 58 -11.644 -5.825 -7.189 453 HG23 ILE 58 HG23 ILE 58 -10.754 -5.135 -5.816 454 HD11 ILE 58 HD11 ILE 58 -13.434 -1.879 -6.452 455 HD12 ILE 58 HD12 ILE 58 -13.075 -2.912 -5.041 456 HD13 ILE 58 HD13 ILE 58 -12.586 -1.207 -5.050 457 H GLU 59 H GLU 59 -8.407 -2.646 -9.648 458 HA GLU 59 HA GLU 59 -9.824 -2.427 -12.094 459 HB2 GLU 59 HB2 GLU 59 -10.695 -0.317 -10.835 460 HB3 GLU 59 HB3 GLU 59 -9.043 0.299 -10.976 461 HG2 GLU 59 HG2 GLU 59 -9.149 0.087 -13.432 462 HG3 GLU 59 HG3 GLU 59 -10.745 -0.668 -13.320 463 H GLY 60 H GLY 60 -8.249 -2.574 -13.698 464 HA2 GLY 60 HA2 GLY 60 -6.256 -2.141 -14.802 465 HA3 GLY 60 HA3 GLY 60 -5.640 -1.270 -13.406 466 H HIS 61 H HIS 61 -3.796 -2.562 -14.387 467 HA HIS 61 HA HIS 61 -3.294 -5.052 -12.890 468 HB2 HIS 61 HB2 HIS 61 -2.841 -6.383 -14.958 469 HB3 HIS 61 HB3 HIS 61 -4.532 -6.003 -14.671 470 HD1 HIS 61 HD1 HIS 61 -5.795 -4.632 -16.578 471 HD2 HIS 61 HD2 HIS 61 -1.622 -5.032 -17.051 472 HE1 HIS 61 HE1 HIS 61 -5.240 -3.698 -18.880 473 H SER 62 H SER 62 -1.324 -4.944 -12.149 474 HA SER 62 HA SER 62 0.889 -3.577 -13.576 475 HB2 SER 62 HB2 SER 62 1.365 -2.838 -11.292 476 HB3 SER 62 HB3 SER 62 -0.211 -2.303 -11.734 477 HG SER 62 HG SER 62 -0.020 -3.359 -9.625 478 H MET 63 H MET 63 2.969 -3.941 -12.286 479 HA MET 63 HA MET 63 3.224 -6.597 -11.022 480 HB2 MET 63 HB2 MET 63 4.166 -6.671 -13.305 481 HB3 MET 63 HB3 MET 63 5.276 -5.356 -12.900 482 HG2 MET 63 HG2 MET 63 6.511 -6.673 -11.430 483 HG3 MET 63 HG3 MET 63 5.194 -7.811 -11.136 484 HE1 MET 63 HE1 MET 63 5.257 -10.279 -14.048 485 HE2 MET 63 HE2 MET 63 4.731 -9.951 -12.381 486 HE3 MET 63 HE3 MET 63 4.133 -8.945 -13.725 487 H VAL 64 H VAL 64 4.152 -6.536 -9.112 488 HA VAL 64 HA VAL 64 5.039 -3.900 -7.991 489 HB VAL 64 HB VAL 64 3.451 -6.151 -6.695 490 HG11 VAL 64 HG11 VAL 64 4.290 -3.432 -5.606 491 HG12 VAL 64 HG12 VAL 64 3.066 -4.479 -4.862 492 HG13 VAL 64 HG13 VAL 64 4.736 -5.030 -4.971 493 HG21 VAL 64 HG21 VAL 64 2.068 -4.959 -8.314 494 HG22 VAL 64 HG22 VAL 64 1.599 -4.472 -6.683 495 HG23 VAL 64 HG23 VAL 64 2.607 -3.395 -7.680 496 H ASP 65 H ASP 65 6.761 -3.737 -6.640 497 HA ASP 65 HA ASP 65 8.479 -6.139 -6.233 498 HB2 ASP 65 HB2 ASP 65 9.496 -4.354 -7.507 499 HB3 ASP 65 HB3 ASP 65 9.072 -3.166 -6.271 500 H GLU 66 H GLU 66 8.105 -7.091 -4.377 501 HA GLU 66 HA GLU 66 7.785 -5.502 -1.869 502 HB2 GLU 66 HB2 GLU 66 6.354 -7.320 -1.029 503 HB3 GLU 66 HB3 GLU 66 5.676 -6.445 -2.392 504 HG2 GLU 66 HG2 GLU 66 6.082 -8.254 -3.908 505 HG3 GLU 66 HG3 GLU 66 7.127 -9.086 -2.753 506 H SER 67 H SER 67 10.312 -6.582 -3.132 507 HA SER 67 HA SER 67 11.267 -8.907 -1.970 508 HB2 SER 67 HB2 SER 67 13.481 -8.075 -2.492 509 HB3 SER 67 HB3 SER 67 12.367 -7.577 -3.774 510 HG SER 67 HG SER 67 13.897 -6.070 -2.146 511 H LEU 68 H LEU 68 11.121 -5.729 -0.347 512 HA LEU 68 HA LEU 68 12.642 -6.764 1.958 513 HB2 LEU 68 HB2 LEU 68 12.829 -4.454 1.042 514 HB3 LEU 68 HB3 LEU 68 11.156 -4.148 1.439 515 HG LEU 68 HG LEU 68 12.796 -3.055 2.894 516 HD11 LEU 68 HD11 LEU 68 11.717 -3.310 4.952 517 HD12 LEU 68 HD12 LEU 68 10.479 -3.694 3.748 518 HD13 LEU 68 HD13 LEU 68 11.286 -4.987 4.661 519 HD21 LEU 68 HD21 LEU 68 14.071 -4.260 4.574 520 HD22 LEU 68 HD22 LEU 68 13.496 -5.812 3.940 521 HD23 LEU 68 HD23 LEU 68 14.540 -4.770 2.942 522 H ILE 69 H ILE 69 9.266 -6.309 1.071 523 HA ILE 69 HA ILE 69 8.225 -6.478 3.795 524 HB ILE 69 HB ILE 69 6.733 -6.918 1.185 525 HG12 ILE 69 HG12 ILE 69 7.812 -4.671 1.144 526 HG13 ILE 69 HG13 ILE 69 6.065 -4.635 1.137 527 HG21 ILE 69 HG21 ILE 69 5.846 -6.357 4.042 528 HG22 ILE 69 HG22 ILE 69 4.787 -6.113 2.648 529 HG23 ILE 69 HG23 ILE 69 5.413 -7.728 3.006 530 HD11 ILE 69 HD11 ILE 69 6.951 -2.887 2.587 531 HD12 ILE 69 HD12 ILE 69 6.014 -4.047 3.526 532 HD13 ILE 69 HD13 ILE 69 7.795 -4.096 3.581 533 H THR 70 H THR 70 8.281 -8.750 1.013 534 HA THR 70 HA THR 70 7.712 -11.028 2.866 535 HB THR 70 HB THR 70 6.772 -12.095 0.846 536 HG1 THR 70 HG1 THR 70 6.480 -10.563 -0.943 537 HG21 THR 70 HG21 THR 70 4.778 -10.814 0.699 538 HG22 THR 70 HG22 THR 70 5.381 -10.535 2.340 539 HG23 THR 70 HG23 THR 70 5.605 -9.294 1.085 540 H GLY 71 H GLY 71 10.328 -9.823 1.128 541 HA2 GLY 71 HA2 GLY 71 12.480 -10.719 1.102 542 HA3 GLY 71 HA3 GLY 71 11.854 -12.267 1.656 543 H GLU 72 H GLU 72 10.034 -11.429 -1.013 544 HA GLU 72 HA GLU 72 10.756 -13.667 -2.468 545 HB2 GLU 72 HB2 GLU 72 9.466 -11.077 -3.423 546 HB3 GLU 72 HB3 GLU 72 9.598 -12.509 -4.440 547 HG2 GLU 72 HG2 GLU 72 8.136 -12.390 -1.778 548 HG3 GLU 72 HG3 GLU 72 7.384 -12.344 -3.375 549 H ALA 73 H ALA 73 11.704 -10.385 -3.589 550 HA ALA 73 HA ALA 73 13.376 -9.642 -4.889 551 HB1 ALA 73 HB1 ALA 73 14.997 -10.714 -3.374 552 HB2 ALA 73 HB2 ALA 73 14.910 -12.205 -4.344 553 HB3 ALA 73 HB3 ALA 73 15.526 -10.719 -5.064 554 H MET 74 H MET 74 11.073 -10.805 -5.778 555 HA MET 74 HA MET 74 11.548 -11.341 -8.578 556 HB2 MET 74 HB2 MET 74 10.762 -13.529 -6.696 557 HB3 MET 74 HB3 MET 74 9.707 -13.330 -8.090 558 HG2 MET 74 HG2 MET 74 12.706 -13.588 -8.363 559 HG3 MET 74 HG3 MET 74 11.597 -14.960 -8.364 560 HE1 MET 74 HE1 MET 74 12.008 -16.019 -10.578 561 HE2 MET 74 HE2 MET 74 12.230 -15.150 -12.112 562 HE3 MET 74 HE3 MET 74 13.417 -14.960 -10.807 563 HA PRO 75 HA PRO 75 8.065 -8.594 -7.633 564 HB2 PRO 75 HB2 PRO 75 8.036 -8.422 -10.642 565 HB3 PRO 75 HB3 PRO 75 7.826 -7.104 -9.441 566 HG2 PRO 75 HG2 PRO 75 10.224 -7.412 -10.608 567 HG3 PRO 75 HG3 PRO 75 10.157 -7.219 -8.826 568 HD2 PRO 75 HD2 PRO 75 10.386 -9.801 -10.420 569 HD3 PRO 75 HD3 PRO 75 11.351 -9.245 -9.016 570 H VAL 76 H VAL 76 5.795 -8.530 -7.829 571 HA VAL 76 HA VAL 76 4.572 -11.135 -8.683 572 HB VAL 76 HB VAL 76 3.585 -9.363 -6.428 573 HG11 VAL 76 HG11 VAL 76 3.140 -12.299 -7.142 574 HG12 VAL 76 HG12 VAL 76 2.498 -11.495 -5.711 575 HG13 VAL 76 HG13 VAL 76 1.941 -10.991 -7.307 576 HG21 VAL 76 HG21 VAL 76 5.847 -10.077 -5.773 577 HG22 VAL 76 HG22 VAL 76 4.644 -10.986 -4.863 578 HG23 VAL 76 HG23 VAL 76 5.471 -11.755 -6.229 579 H ALA 77 H ALA 77 2.637 -11.189 -9.800 580 HA ALA 77 HA ALA 77 1.921 -8.655 -11.142 581 HB1 ALA 77 HB1 ALA 77 2.403 -10.650 -12.501 582 HB2 ALA 77 HB2 ALA 77 1.071 -11.519 -11.703 583 HB3 ALA 77 HB3 ALA 77 0.730 -10.102 -12.714 584 H LYS 78 H LYS 78 0.020 -7.666 -11.041 585 HA LYS 78 HA LYS 78 -2.182 -8.782 -9.323 586 HB2 LYS 78 HB2 LYS 78 -1.594 -5.839 -9.715 587 HB3 LYS 78 HB3 LYS 78 -2.704 -6.559 -8.563 588 HG2 LYS 78 HG2 LYS 78 0.340 -6.815 -8.455 589 HG3 LYS 78 HG3 LYS 78 -0.618 -5.661 -7.539 590 HD2 LYS 78 HD2 LYS 78 -1.715 -7.416 -6.285 591 HD3 LYS 78 HD3 LYS 78 -1.000 -8.677 -7.304 592 HE2 LYS 78 HE2 LYS 78 1.251 -8.099 -6.548 593 HE3 LYS 78 HE3 LYS 78 0.622 -6.763 -5.572 594 HZ1 LYS 78 HZ1 LYS 78 -0.098 -9.616 -5.158 595 HZ2 LYS 78 HZ2 LYS 78 1.001 -8.808 -4.266 596 HZ3 LYS 78 HZ3 LYS 78 -0.586 -8.373 -4.226 597 H LYS 79 H LYS 79 -4.302 -8.273 -9.846 598 HA LYS 79 HA LYS 79 -5.113 -7.048 -12.388 599 HB2 LYS 79 HB2 LYS 79 -5.762 -9.938 -11.584 600 HB3 LYS 79 HB3 LYS 79 -6.507 -9.090 -12.923 601 HG2 LYS 79 HG2 LYS 79 -4.209 -8.879 -13.992 602 HG3 LYS 79 HG3 LYS 79 -3.601 -9.910 -12.697 603 HD2 LYS 79 HD2 LYS 79 -4.002 -11.540 -14.232 604 HD3 LYS 79 HD3 LYS 79 -5.597 -11.525 -13.474 605 HE2 LYS 79 HE2 LYS 79 -6.383 -9.959 -15.293 606 HE3 LYS 79 HE3 LYS 79 -4.761 -10.025 -16.003 607 HZ1 LYS 79 HZ1 LYS 79 -5.110 -12.500 -16.147 608 HZ2 LYS 79 HZ2 LYS 79 -6.709 -12.247 -15.824 609 HZ3 LYS 79 HZ3 LYS 79 -5.992 -11.597 -17.171 610 HA PRO 80 HA PRO 80 -8.618 -6.019 -9.673 611 HB2 PRO 80 HB2 PRO 80 -10.902 -6.822 -11.058 612 HB3 PRO 80 HB3 PRO 80 -10.012 -5.293 -11.334 613 HG2 PRO 80 HG2 PRO 80 -9.701 -7.920 -12.834 614 HG3 PRO 80 HG3 PRO 80 -9.902 -6.267 -13.510 615 HD2 PRO 80 HD2 PRO 80 -7.461 -7.307 -13.349 616 HD3 PRO 80 HD3 PRO 80 -7.729 -5.632 -12.823 617 H GLY 81 H GLY 81 -9.423 -7.033 -7.944 618 HA2 GLY 81 HA2 GLY 81 -10.264 -8.750 -6.582 619 HA3 GLY 81 HA3 GLY 81 -10.075 -9.920 -7.884 620 H SER 82 H SER 82 -7.397 -7.787 -6.817 621 HA SER 82 HA SER 82 -5.911 -10.199 -5.811 622 HB2 SER 82 HB2 SER 82 -5.207 -9.381 -8.070 623 HB3 SER 82 HB3 SER 82 -4.798 -7.819 -7.330 624 HG SER 82 HG SER 82 -3.657 -10.379 -6.893 625 H THR 83 H THR 83 -4.138 -9.672 -4.165 626 HA THR 83 HA THR 83 -5.025 -7.409 -2.429 627 HB THR 83 HB THR 83 -4.258 -8.834 -0.533 628 HG1 THR 83 HG1 THR 83 -4.038 -10.993 -0.870 629 HG21 THR 83 HG21 THR 83 -6.276 -10.239 -0.484 630 HG22 THR 83 HG22 THR 83 -6.641 -8.603 -1.053 631 HG23 THR 83 HG23 THR 83 -6.537 -9.943 -2.214 632 H VAL 84 H VAL 84 -3.573 -6.265 -1.239 633 HA VAL 84 HA VAL 84 -0.675 -6.487 -1.927 634 HB VAL 84 HB VAL 84 -0.661 -3.991 -2.227 635 HG11 VAL 84 HG11 VAL 84 -2.228 -5.593 -4.282 636 HG12 VAL 84 HG12 VAL 84 -1.346 -4.079 -4.567 637 HG13 VAL 84 HG13 VAL 84 -0.458 -5.536 -4.104 638 HG21 VAL 84 HG21 VAL 84 -2.896 -3.462 -1.255 639 HG22 VAL 84 HG22 VAL 84 -2.693 -2.838 -2.897 640 HG23 VAL 84 HG23 VAL 84 -3.672 -4.287 -2.626 641 H ILE 85 H ILE 85 0.754 -5.376 -0.656 642 HA ILE 85 HA ILE 85 -0.138 -4.598 2.063 643 HB ILE 85 HB ILE 85 2.392 -5.184 2.618 644 HG12 ILE 85 HG12 ILE 85 3.101 -7.310 1.643 645 HG13 ILE 85 HG13 ILE 85 1.756 -7.312 0.514 646 HG21 ILE 85 HG21 ILE 85 0.158 -7.241 2.490 647 HG22 ILE 85 HG22 ILE 85 1.599 -7.295 3.531 648 HG23 ILE 85 HG23 ILE 85 0.401 -6.021 3.768 649 HD11 ILE 85 HD11 ILE 85 3.888 -5.141 0.560 650 HD12 ILE 85 HD12 ILE 85 3.997 -6.612 -0.429 651 HD13 ILE 85 HD13 ILE 85 2.691 -5.456 -0.717 652 H ALA 86 H ALA 86 0.812 -2.959 3.113 653 HA ALA 86 HA ALA 86 1.243 -0.636 1.581 654 HB1 ALA 86 HB1 ALA 86 0.249 -0.786 3.863 655 HB2 ALA 86 HB2 ALA 86 1.826 -1.182 4.519 656 HB3 ALA 86 HB3 ALA 86 1.558 0.415 3.778 657 H GLY 87 H GLY 87 3.034 0.663 1.226 658 HA2 GLY 87 HA2 GLY 87 5.253 1.358 1.162 659 HA3 GLY 87 HA3 GLY 87 5.698 0.028 2.233 660 H SER 88 H SER 88 4.069 -1.422 -0.314 661 HA SER 88 HA SER 88 6.599 -2.259 -1.593 662 HB2 SER 88 HB2 SER 88 5.235 -3.802 -2.894 663 HB3 SER 88 HB3 SER 88 5.035 -4.025 -1.157 664 HG SER 88 HG SER 88 3.001 -3.125 -1.262 665 H ILE 89 H ILE 89 6.893 -2.118 -3.949 666 HA ILE 89 HA ILE 89 6.038 0.618 -4.769 667 HB ILE 89 HB ILE 89 8.392 -0.714 -6.041 668 HG12 ILE 89 HG12 ILE 89 8.905 -1.132 -3.683 669 HG13 ILE 89 HG13 ILE 89 9.986 0.017 -4.435 670 HG21 ILE 89 HG21 ILE 89 7.674 2.152 -5.261 671 HG22 ILE 89 HG22 ILE 89 9.147 1.659 -6.129 672 HG23 ILE 89 HG23 ILE 89 7.556 1.438 -6.871 673 HD11 ILE 89 HD11 ILE 89 7.674 0.850 -2.635 674 HD12 ILE 89 HD12 ILE 89 9.352 0.629 -2.104 675 HD13 ILE 89 HD13 ILE 89 8.967 1.882 -3.294 676 H ASN 90 H ASN 90 4.866 0.960 -6.541 677 HA ASN 90 HA ASN 90 4.086 -1.336 -8.231 678 HB2 ASN 90 HB2 ASN 90 2.388 0.285 -7.215 679 HB3 ASN 90 HB3 ASN 90 3.063 1.543 -8.258 680 HD21 ASN 90 HD22 ASN 90 1.422 1.807 -9.858 681 HD22 ASN 90 HD21 ASN 90 0.961 0.403 -10.833 682 H GLN 91 H GLN 91 4.594 -1.547 -10.449 683 HA GLN 91 HA GLN 91 6.582 0.385 -11.477 684 HB2 GLN 91 HB2 GLN 91 6.998 -2.056 -11.671 685 HB3 GLN 91 HB3 GLN 91 5.637 -2.165 -12.788 686 HG2 GLN 91 HG2 GLN 91 7.738 -1.984 -14.027 687 HG3 GLN 91 HG3 GLN 91 6.753 -0.550 -14.324 688 HE21 GLN 91 HE22 GLN 91 9.349 -1.732 -12.090 689 HE22 GLN 91 HE21 GLN 91 10.256 -0.235 -12.095 690 H ASN 92 H ASN 92 3.713 -1.124 -13.155 691 HA ASN 92 HA ASN 92 2.863 1.584 -14.019 692 HB2 ASN 92 HB2 ASN 92 4.244 0.373 -15.777 693 HB3 ASN 92 HB3 ASN 92 3.031 -0.902 -15.784 694 HD21 ASN 92 HD22 ASN 92 1.419 -0.659 -17.339 695 HD22 ASN 92 HD21 ASN 92 1.029 0.892 -18.077 696 H GLY 93 H GLY 93 0.487 0.614 -15.420 697 HA2 GLY 93 HA2 GLY 93 -1.196 -0.996 -15.231 698 HA3 GLY 93 HA3 GLY 93 -0.915 -1.142 -13.504 699 H SER 94 H SER 94 -0.824 1.931 -13.353 700 HA SER 94 HA SER 94 -2.301 3.466 -12.494 701 HB2 SER 94 HB2 SER 94 -3.492 2.973 -15.247 702 HB3 SER 94 HB3 SER 94 -3.863 4.358 -14.200 703 HG SER 94 HG SER 94 -1.394 3.659 -15.427 704 H LEU 95 H LEU 95 -2.989 2.099 -10.807 705 HA LEU 95 HA LEU 95 -5.437 0.446 -11.245 706 HB2 LEU 95 HB2 LEU 95 -3.716 0.266 -8.822 707 HB3 LEU 95 HB3 LEU 95 -4.730 -0.965 -9.498 708 HG LEU 95 HG LEU 95 -2.093 -0.031 -10.735 709 HD11 LEU 95 HD11 LEU 95 -0.963 -1.690 -9.585 710 HD12 LEU 95 HD12 LEU 95 -1.926 -0.941 -8.344 711 HD13 LEU 95 HD13 LEU 95 -2.460 -2.498 -9.019 712 HD21 LEU 95 HD21 LEU 95 -3.814 -2.526 -11.062 713 HD22 LEU 95 HD22 LEU 95 -3.670 -1.190 -12.224 714 HD23 LEU 95 HD23 LEU 95 -2.273 -2.220 -11.882 715 H LEU 96 H LEU 96 -7.017 0.284 -9.527 716 HA LEU 96 HA LEU 96 -6.974 2.515 -7.539 717 HB2 LEU 96 HB2 LEU 96 -9.405 1.543 -9.063 718 HB3 LEU 96 HB3 LEU 96 -9.479 2.365 -7.521 719 HG LEU 96 HG LEU 96 -8.124 4.282 -8.557 720 HD11 LEU 96 HD11 LEU 96 -8.603 4.514 -11.076 721 HD12 LEU 96 HD12 LEU 96 -7.309 3.398 -10.641 722 HD13 LEU 96 HD13 LEU 96 -8.911 2.776 -11.077 723 HD21 LEU 96 HD21 LEU 96 -10.514 4.442 -8.044 724 HD22 LEU 96 HD22 LEU 96 -10.124 5.297 -9.541 725 HD23 LEU 96 HD23 LEU 96 -10.911 3.701 -9.615 726 H ILE 97 H ILE 97 -6.976 1.989 -5.570 727 HA ILE 97 HA ILE 97 -7.194 -0.861 -4.771 728 HB ILE 97 HB ILE 97 -5.733 1.382 -3.340 729 HG12 ILE 97 HG12 ILE 97 -4.743 1.426 -5.526 730 HG13 ILE 97 HG13 ILE 97 -3.630 0.750 -4.361 731 HG21 ILE 97 HG21 ILE 97 -5.369 -1.642 -3.278 732 HG22 ILE 97 HG22 ILE 97 -4.392 -0.461 -2.384 733 HG23 ILE 97 HG23 ILE 97 -6.111 -0.645 -2.016 734 HD11 ILE 97 HD11 ILE 97 -5.311 -0.934 -6.270 735 HD12 ILE 97 HD12 ILE 97 -3.633 -0.447 -6.542 736 HD13 ILE 97 HD13 ILE 97 -4.029 -1.496 -5.171 737 H CYS 98 H CYS 98 -8.810 -1.432 -3.349 738 HA CYS 98 HA CYS 98 -10.275 0.689 -1.868 739 HB2 CYS 98 HB2 CYS 98 -11.768 -1.162 -1.165 740 HB3 CYS 98 HB3 CYS 98 -11.720 -0.909 -2.912 741 HG CYS 98 HG CYS 98 -9.873 -3.044 -1.230 742 H ALA 99 H ALA 99 -9.589 1.351 0.048 743 HA ALA 99 HA ALA 99 -7.637 -0.271 1.546 744 HB1 ALA 99 HB1 ALA 99 -7.220 1.870 2.697 745 HB2 ALA 99 HB2 ALA 99 -7.050 2.023 0.935 746 HB3 ALA 99 HB3 ALA 99 -8.507 2.640 1.748 747 H THR 100 H THR 100 -8.430 -1.624 2.996 748 HA THR 100 HA THR 100 -10.809 -0.953 4.664 749 HB THR 100 HB THR 100 -10.766 -3.442 5.091 750 HG1 THR 100 HG1 THR 100 -9.436 -4.672 3.827 751 HG21 THR 100 HG21 THR 100 -11.670 -4.093 2.922 752 HG22 THR 100 HG22 THR 100 -12.228 -2.458 3.320 753 HG23 THR 100 HG23 THR 100 -10.923 -2.690 2.136 754 H HIS 101 H HIS 101 -7.506 -0.632 4.938 755 HA HIS 101 HA HIS 101 -7.693 -0.772 7.893 756 HB2 HIS 101 HB2 HIS 101 -5.217 -1.463 6.273 757 HB3 HIS 101 HB3 HIS 101 -5.487 -1.679 8.001 758 HD1 HIS 101 HD1 HIS 101 -6.149 -3.319 4.646 759 HD2 HIS 101 HD2 HIS 101 -7.091 -3.839 8.711 760 HE1 HIS 101 HE1 HIS 101 -7.235 -5.619 4.839 761 H VAL 102 H VAL 102 -6.960 1.018 8.888 762 HA VAL 102 HA VAL 102 -5.623 3.174 7.337 763 HB VAL 102 HB VAL 102 -7.653 3.542 8.794 764 HG11 VAL 102 HG11 VAL 102 -7.352 3.882 11.187 765 HG12 VAL 102 HG12 VAL 102 -6.988 2.201 10.769 766 HG13 VAL 102 HG13 VAL 102 -5.669 3.356 11.100 767 HG21 VAL 102 HG21 VAL 102 -6.195 5.368 7.987 768 HG22 VAL 102 HG22 VAL 102 -7.036 5.709 9.507 769 HG23 VAL 102 HG23 VAL 102 -5.312 5.313 9.535 770 H GLY 103 H GLY 103 -3.743 4.363 9.079 771 HA2 GLY 103 HA2 GLY 103 -1.592 2.536 8.797 772 HA3 GLY 103 HA3 GLY 103 -1.606 4.068 9.674 773 H ALA 104 H ALA 104 -3.628 3.363 11.666 774 HA ALA 104 HA ALA 104 -2.174 1.710 13.486 775 HB1 ALA 104 HB1 ALA 104 -5.082 2.620 13.534 776 HB2 ALA 104 HB2 ALA 104 -4.186 1.926 14.901 777 HB3 ALA 104 HB3 ALA 104 -3.683 3.482 14.222 778 H ASP 105 H ASP 105 -4.986 0.882 11.379 779 HA ASP 105 HA ASP 105 -5.127 -1.788 12.576 780 HB2 ASP 105 HB2 ASP 105 -7.079 -0.247 11.585 781 HB3 ASP 105 HB3 ASP 105 -6.731 -1.183 10.131 782 H THR 106 H THR 106 -3.164 -0.554 10.088 783 HA THR 106 HA THR 106 -3.416 -2.828 8.305 784 HB THR 106 HB THR 106 -2.909 -0.494 7.587 785 HG1 THR 106 HG1 THR 106 -2.425 -2.679 6.477 786 HG21 THR 106 HG21 THR 106 -0.658 0.299 7.442 787 HG22 THR 106 HG22 THR 106 -0.993 -0.043 9.147 788 HG23 THR 106 HG23 THR 106 -0.018 -1.175 8.197 789 H THR 107 H THR 107 -2.036 -4.470 7.840 790 HA THR 107 HA THR 107 -0.835 -5.606 10.127 791 HB THR 107 HB THR 107 -1.829 -6.793 8.196 792 HG1 THR 107 HG1 THR 107 -0.801 -8.500 8.708 793 HG21 THR 107 HG21 THR 107 -0.535 -5.746 6.331 794 HG22 THR 107 HG22 THR 107 0.928 -6.576 6.922 795 HG23 THR 107 HG23 THR 107 -0.458 -7.517 6.342 796 H LEU 108 H LEU 108 0.744 -3.715 7.574 797 HA LEU 108 HA LEU 108 3.439 -4.282 8.084 798 HB2 LEU 108 HB2 LEU 108 2.374 -2.829 6.246 799 HB3 LEU 108 HB3 LEU 108 2.250 -1.547 7.443 800 HG LEU 108 HG LEU 108 4.851 -1.919 7.756 801 HD11 LEU 108 HD11 LEU 108 4.362 -3.084 4.973 802 HD12 LEU 108 HD12 LEU 108 5.940 -2.637 5.654 803 HD13 LEU 108 HD13 LEU 108 4.997 -3.970 6.374 804 HD21 LEU 108 HD21 LEU 108 3.772 0.093 6.753 805 HD22 LEU 108 HD22 LEU 108 5.344 -0.311 6.046 806 HD23 LEU 108 HD23 LEU 108 3.874 -0.690 5.155 807 H SER 109 H SER 109 1.425 -1.743 9.699 808 HA SER 109 HA SER 109 3.550 -1.028 11.543 809 HB2 SER 109 HB2 SER 109 2.065 0.524 12.479 810 HB3 SER 109 HB3 SER 109 1.696 0.515 10.746 811 HG SER 109 HG SER 109 -0.250 0.314 11.622 812 H GLN 110 H GLN 110 0.849 -3.346 11.619 813 HA GLN 110 HA GLN 110 0.906 -3.801 14.470 814 HB2 GLN 110 HB2 GLN 110 -0.950 -4.434 12.901 815 HB3 GLN 110 HB3 GLN 110 0.077 -5.667 12.214 816 HG2 GLN 110 HG2 GLN 110 -1.397 -6.734 13.753 817 HG3 GLN 110 HG3 GLN 110 0.230 -6.809 14.439 818 HE21 GLN 110 HE22 GLN 110 -2.626 -4.592 14.384 819 HE22 GLN 110 HE21 GLN 110 -2.390 -4.038 16.015 820 H ILE 111 H ILE 111 2.641 -5.336 11.730 821 HA ILE 111 HA ILE 111 3.953 -7.389 13.150 822 HB ILE 111 HB ILE 111 4.775 -5.821 10.683 823 HG12 ILE 111 HG12 ILE 111 3.912 -8.736 10.844 824 HG13 ILE 111 HG13 ILE 111 2.719 -7.453 10.763 825 HG21 ILE 111 HG21 ILE 111 6.125 -8.301 11.856 826 HG22 ILE 111 HG22 ILE 111 6.428 -7.662 10.231 827 HG23 ILE 111 HG23 ILE 111 6.867 -6.699 11.633 828 HD11 ILE 111 HD11 ILE 111 3.710 -6.643 8.626 829 HD12 ILE 111 HD12 ILE 111 4.846 -8.011 8.658 830 HD13 ILE 111 HD13 ILE 111 3.105 -8.307 8.535 831 H VAL 112 H VAL 112 5.332 -4.126 12.377 832 HA VAL 112 HA VAL 112 7.600 -4.559 14.069 833 HB VAL 112 HB VAL 112 8.113 -2.198 13.810 834 HG11 VAL 112 HG11 VAL 112 7.197 -3.347 11.152 835 HG12 VAL 112 HG12 VAL 112 8.531 -2.210 11.481 836 HG13 VAL 112 HG13 VAL 112 8.646 -3.886 12.031 837 HG21 VAL 112 HG21 VAL 112 5.791 -1.261 13.875 838 HG22 VAL 112 HG22 VAL 112 6.760 -0.692 12.524 839 HG23 VAL 112 HG23 VAL 112 5.517 -1.930 12.248 840 H LYS 113 H LYS 113 4.411 -3.435 14.955 841 HA LYS 113 HA LYS 113 5.217 -2.344 17.551 842 HB2 LYS 113 HB2 LYS 113 2.583 -3.119 16.289 843 HB3 LYS 113 HB3 LYS 113 2.695 -2.749 18.027 844 HG2 LYS 113 HG2 LYS 113 3.655 -0.554 17.524 845 HG3 LYS 113 HG3 LYS 113 3.666 -0.962 15.795 846 HD2 LYS 113 HD2 LYS 113 1.057 -1.415 16.236 847 HD3 LYS 113 HD3 LYS 113 1.327 -0.306 17.611 848 HE2 LYS 113 HE2 LYS 113 2.355 1.321 16.079 849 HE3 LYS 113 HE3 LYS 113 2.215 0.138 14.758 850 HZ1 LYS 113 HZ1 LYS 113 0.398 1.818 14.719 851 HZ2 LYS 113 HZ2 LYS 113 -0.183 0.275 14.936 852 HZ3 LYS 113 HZ3 LYS 113 -0.105 1.321 16.199 853 H LEU 114 H LEU 114 3.979 -5.527 16.421 854 HA LEU 114 HA LEU 114 4.092 -6.714 19.040 855 HB2 LEU 114 HB2 LEU 114 2.980 -7.378 16.599 856 HB3 LEU 114 HB3 LEU 114 4.324 -8.520 16.695 857 HG LEU 114 HG LEU 114 2.127 -8.115 18.746 858 HD11 LEU 114 HD11 LEU 114 1.315 -9.115 16.653 859 HD12 LEU 114 HD12 LEU 114 2.574 -10.362 16.742 860 HD13 LEU 114 HD13 LEU 114 1.291 -10.298 17.971 861 HD21 LEU 114 HD21 LEU 114 4.140 -8.985 19.855 862 HD22 LEU 114 HD22 LEU 114 2.951 -10.275 19.704 863 HD23 LEU 114 HD23 LEU 114 4.326 -10.213 18.578 864 H VAL 115 H VAL 115 6.459 -6.512 16.377 865 HA VAL 115 HA VAL 115 8.482 -8.112 17.748 866 HB VAL 115 HB VAL 115 8.736 -6.105 15.486 867 HG11 VAL 115 HG11 VAL 115 10.933 -6.267 16.547 868 HG12 VAL 115 HG12 VAL 115 10.795 -8.038 16.646 869 HG13 VAL 115 HG13 VAL 115 10.955 -7.235 15.071 870 HG21 VAL 115 HG21 VAL 115 7.455 -8.217 14.973 871 HG22 VAL 115 HG22 VAL 115 8.979 -8.115 14.090 872 HG23 VAL 115 HG23 VAL 115 8.847 -9.158 15.520 873 H GLU 116 H GLU 116 7.388 -4.849 18.216 874 HA GLU 116 HA GLU 116 9.808 -3.927 19.631 875 HB2 GLU 116 HB2 GLU 116 7.448 -2.686 18.630 876 HB3 GLU 116 HB3 GLU 116 7.362 -2.501 20.368 877 HG2 GLU 116 HG2 GLU 116 9.729 -1.712 18.615 878 HG3 GLU 116 HG3 GLU 116 8.465 -0.613 19.165 879 H GLU 117 H GLU 117 6.879 -5.745 20.411 880 HA GLU 117 HA GLU 117 7.177 -5.497 23.300 881 HB2 GLU 117 HB2 GLU 117 5.531 -7.425 21.611 882 HB3 GLU 117 HB3 GLU 117 5.536 -7.333 23.359 883 HG2 GLU 117 HG2 GLU 117 4.955 -4.796 23.020 884 HG3 GLU 117 HG3 GLU 117 4.549 -5.274 21.375 885 H ALA 118 H ALA 118 8.932 -7.353 20.953 886 HA ALA 118 HA ALA 118 9.478 -9.615 22.712 887 HB1 ALA 118 HB1 ALA 118 11.149 -10.205 21.005 888 HB2 ALA 118 HB2 ALA 118 9.550 -9.902 20.301 889 HB3 ALA 118 HB3 ALA 118 10.826 -8.681 20.149 890 H GLN 119 H GLN 119 11.697 -7.101 21.465 891 HA GLN 119 HA GLN 119 13.666 -7.180 23.360 892 HB2 GLN 119 HB2 GLN 119 12.637 -4.803 21.789 893 HB3 GLN 119 HB3 GLN 119 14.126 -4.792 22.702 894 HG2 GLN 119 HG2 GLN 119 14.792 -5.243 20.493 895 HG3 GLN 119 HG3 GLN 119 14.916 -6.808 21.332 896 HE21 GLN 119 HE22 GLN 119 12.678 -4.781 19.452 897 HE22 GLN 119 HE21 GLN 119 11.722 -6.162 18.965 Start of MODEL 16 1 H SER 1 H SER 1 17.348 -5.500 13.968 2 HA SER 1 HA SER 1 15.364 -3.612 15.101 3 HB2 SER 1 HB2 SER 1 18.384 -3.772 15.328 4 HB3 SER 1 HB3 SER 1 17.387 -2.504 16.069 5 HG SER 1 HG SER 1 17.862 -4.347 17.462 6 H GLU 2 H GLU 2 17.634 -3.771 12.397 7 HA GLU 2 HA GLU 2 17.410 -0.970 11.649 8 HB2 GLU 2 HB2 GLU 2 19.276 -2.601 11.110 9 HB3 GLU 2 HB3 GLU 2 18.231 -3.355 9.926 10 HG2 GLU 2 HG2 GLU 2 18.860 -0.371 9.860 11 HG3 GLU 2 HG3 GLU 2 19.987 -1.558 9.215 12 H ALA 3 H ALA 3 15.784 -3.986 10.712 13 HA ALA 3 HA ALA 3 13.890 -2.901 8.866 14 HB1 ALA 3 HB1 ALA 3 12.693 -5.004 9.256 15 HB2 ALA 3 HB2 ALA 3 14.433 -5.306 9.089 16 HB3 ALA 3 HB3 ALA 3 13.681 -5.332 10.695 17 H LEU 4 H LEU 4 13.570 -3.555 12.395 18 HA LEU 4 HA LEU 4 11.079 -2.555 12.885 19 HB2 LEU 4 HB2 LEU 4 12.939 -3.455 14.533 20 HB3 LEU 4 HB3 LEU 4 13.342 -1.761 14.735 21 HG LEU 4 HG LEU 4 10.796 -1.454 15.315 22 HD11 LEU 4 HD11 LEU 4 11.179 -4.446 15.791 23 HD12 LEU 4 HD12 LEU 4 9.763 -3.479 16.252 24 HD13 LEU 4 HD13 LEU 4 10.142 -3.741 14.539 25 HD21 LEU 4 HD21 LEU 4 11.201 -2.073 17.660 26 HD22 LEU 4 HD22 LEU 4 12.635 -3.011 17.187 27 HD23 LEU 4 HD23 LEU 4 12.607 -1.246 16.977 28 H ALA 5 H ALA 5 13.854 -0.548 12.118 29 HA ALA 5 HA ALA 5 12.411 1.991 12.559 30 HB1 ALA 5 HB1 ALA 5 15.200 1.279 11.522 31 HB2 ALA 5 HB2 ALA 5 14.552 2.921 11.563 32 HB3 ALA 5 HB3 ALA 5 14.776 2.023 13.077 33 H LYS 6 H LYS 6 13.686 0.037 9.798 34 HA LYS 6 HA LYS 6 12.977 1.818 7.749 35 HB2 LYS 6 HB2 LYS 6 14.542 -0.118 7.651 36 HB3 LYS 6 HB3 LYS 6 13.166 -1.218 7.588 37 HG2 LYS 6 HG2 LYS 6 12.744 -0.780 5.379 38 HG3 LYS 6 HG3 LYS 6 13.073 0.945 5.550 39 HD2 LYS 6 HD2 LYS 6 14.730 -0.007 4.076 40 HD3 LYS 6 HD3 LYS 6 15.492 0.532 5.575 41 HE2 LYS 6 HE2 LYS 6 15.239 -1.974 6.329 42 HE3 LYS 6 HE3 LYS 6 14.940 -2.288 4.606 43 HZ1 LYS 6 HZ1 LYS 6 17.390 -1.469 5.946 44 HZ2 LYS 6 HZ2 LYS 6 17.180 -2.427 4.594 45 HZ3 LYS 6 HZ3 LYS 6 17.126 -0.801 4.463 46 H LEU 7 H LEU 7 10.897 -0.636 9.243 47 HA LEU 7 HA LEU 7 8.718 -0.493 7.397 48 HB2 LEU 7 HB2 LEU 7 9.045 -1.217 10.295 49 HB3 LEU 7 HB3 LEU 7 7.420 -0.934 9.701 50 HG LEU 7 HG LEU 7 7.813 -3.266 9.689 51 HD11 LEU 7 HD11 LEU 7 7.196 -3.862 7.482 52 HD12 LEU 7 HD12 LEU 7 6.567 -2.230 7.778 53 HD13 LEU 7 HD13 LEU 7 8.011 -2.457 6.769 54 HD21 LEU 7 HD21 LEU 7 10.193 -3.476 9.568 55 HD22 LEU 7 HD22 LEU 7 9.485 -4.369 8.221 56 HD23 LEU 7 HD23 LEU 7 10.237 -2.784 7.926 57 H ILE 8 H ILE 8 9.641 1.839 9.913 58 HA ILE 8 HA ILE 8 7.250 3.463 9.583 59 HB ILE 8 HB ILE 8 9.936 4.172 10.782 60 HG12 ILE 8 HG12 ILE 8 8.850 2.344 11.975 61 HG13 ILE 8 HG13 ILE 8 8.870 3.812 12.941 62 HG21 ILE 8 HG21 ILE 8 7.297 5.675 10.772 63 HG22 ILE 8 HG22 ILE 8 8.624 6.007 11.909 64 HG23 ILE 8 HG23 ILE 8 8.873 6.228 10.176 65 HD11 ILE 8 HD11 ILE 8 6.443 4.165 12.345 66 HD12 ILE 8 HD12 ILE 8 6.468 2.602 11.495 67 HD13 ILE 8 HD13 ILE 8 6.757 2.670 13.240 68 H SER 9 H SER 9 10.498 3.442 8.110 69 HA SER 9 HA SER 9 10.209 5.947 6.657 70 HB2 SER 9 HB2 SER 9 12.091 3.595 6.245 71 HB3 SER 9 HB3 SER 9 12.253 5.191 5.498 72 HG SER 9 HG SER 9 13.441 4.635 7.558 73 H LEU 10 H LEU 10 9.217 2.666 6.062 74 HA LEU 10 HA LEU 10 8.640 2.893 3.235 75 HB2 LEU 10 HB2 LEU 10 8.039 0.941 5.463 76 HB3 LEU 10 HB3 LEU 10 7.271 0.747 3.899 77 HG LEU 10 HG LEU 10 10.297 1.010 4.124 78 HD11 LEU 10 HD11 LEU 10 8.623 -1.535 4.231 79 HD12 LEU 10 HD12 LEU 10 10.382 -1.464 3.971 80 HD13 LEU 10 HD13 LEU 10 9.705 -0.907 5.499 81 HD21 LEU 10 HD21 LEU 10 9.217 1.277 1.866 82 HD22 LEU 10 HD22 LEU 10 10.272 -0.137 1.971 83 HD23 LEU 10 HD23 LEU 10 8.511 -0.345 2.057 84 H GLN 11 H GLN 11 6.973 4.217 5.956 85 HA GLN 11 HA GLN 11 4.384 4.243 4.530 86 HB2 GLN 11 HB2 GLN 11 5.159 5.093 7.294 87 HB3 GLN 11 HB3 GLN 11 3.639 5.593 6.531 88 HG2 GLN 11 HG2 GLN 11 3.082 3.223 6.018 89 HG3 GLN 11 HG3 GLN 11 4.549 2.714 6.871 90 HE21 GLN 11 HE22 GLN 11 4.688 3.097 9.167 91 HE22 GLN 11 HE21 GLN 11 3.225 3.336 10.094 92 H ALA 12 H ALA 12 3.285 6.032 3.943 93 HA ALA 12 HA ALA 12 4.903 7.896 2.442 94 HB1 ALA 12 HB1 ALA 12 1.884 7.506 2.625 95 HB2 ALA 12 HB2 ALA 12 2.741 8.392 1.354 96 HB3 ALA 12 HB3 ALA 12 2.983 6.651 1.516 97 H THR 13 H THR 13 4.195 10.139 2.096 98 HA THR 13 HA THR 13 3.520 11.670 4.581 99 HB THR 13 HB THR 13 4.531 12.624 1.876 100 HG1 THR 13 HG1 THR 13 6.414 13.024 3.107 101 HG21 THR 13 HG21 THR 13 4.194 14.111 4.520 102 HG22 THR 13 HG22 THR 13 5.018 14.746 3.079 103 HG23 THR 13 HG23 THR 13 3.288 14.418 3.024 104 H GLU 14 H GLU 14 2.450 11.179 1.218 105 HA GLU 14 HA GLU 14 -0.261 12.195 1.891 106 HB2 GLU 14 HB2 GLU 14 -0.345 13.692 0.053 107 HB3 GLU 14 HB3 GLU 14 1.105 14.045 0.987 108 HG2 GLU 14 HG2 GLU 14 2.464 12.818 -0.732 109 HG3 GLU 14 HG3 GLU 14 0.988 12.546 -1.665 110 H ALA 15 H ALA 15 -1.859 11.780 0.190 111 HA ALA 15 HA ALA 15 -1.362 9.403 -1.518 112 HB1 ALA 15 HB1 ALA 15 -2.133 8.576 0.680 113 HB2 ALA 15 HB2 ALA 15 -3.555 9.640 0.596 114 HB3 ALA 15 HB3 ALA 15 -3.372 8.303 -0.557 115 H THR 16 H THR 16 -3.369 8.901 -2.830 116 HA THR 16 HA THR 16 -4.872 11.368 -3.675 117 HB THR 16 HB THR 16 -3.661 9.309 -5.555 118 HG1 THR 16 HG1 THR 16 -2.021 10.570 -4.883 119 HG21 THR 16 HG21 THR 16 -5.721 10.333 -6.471 120 HG22 THR 16 HG22 THR 16 -5.112 11.954 -6.065 121 HG23 THR 16 HG23 THR 16 -4.294 10.967 -7.299 122 H ILE 17 H ILE 17 -6.908 11.057 -3.223 123 HA ILE 17 HA ILE 17 -8.203 8.372 -3.382 124 HB ILE 17 HB ILE 17 -9.169 10.968 -2.108 125 HG12 ILE 17 HG12 ILE 17 -7.894 8.521 -0.810 126 HG13 ILE 17 HG13 ILE 17 -7.216 10.138 -0.895 127 HG21 ILE 17 HG21 ILE 17 -10.307 8.143 -1.927 128 HG22 ILE 17 HG22 ILE 17 -10.923 9.562 -1.053 129 HG23 ILE 17 HG23 ILE 17 -11.046 9.516 -2.784 130 HD11 ILE 17 HD11 ILE 17 -8.080 9.723 1.326 131 HD12 ILE 17 HD12 ILE 17 -9.057 10.989 0.541 132 HD13 ILE 17 HD13 ILE 17 -9.669 9.328 0.707 133 H VAL 18 H VAL 18 -10.023 8.015 -4.688 134 HA VAL 18 HA VAL 18 -10.784 10.248 -6.533 135 HB VAL 18 HB VAL 18 -11.439 8.667 -8.203 136 HG11 VAL 18 HG11 VAL 18 -8.578 8.089 -7.332 137 HG12 VAL 18 HG12 VAL 18 -9.242 8.177 -8.981 138 HG13 VAL 18 HG13 VAL 18 -9.083 9.641 -8.001 139 HG21 VAL 18 HG21 VAL 18 -11.906 6.637 -6.844 140 HG22 VAL 18 HG22 VAL 18 -10.729 6.318 -8.129 141 HG23 VAL 18 HG23 VAL 18 -10.173 6.512 -6.456 142 H THR 19 H THR 19 -12.712 10.942 -6.686 143 HA THR 19 HA THR 19 -14.784 9.839 -4.839 144 HB THR 19 HB THR 19 -14.313 12.697 -5.722 145 HG1 THR 19 HG1 THR 19 -13.583 13.001 -3.762 146 HG21 THR 19 HG21 THR 19 -16.005 13.205 -3.903 147 HG22 THR 19 HG22 THR 19 -16.704 12.455 -5.335 148 HG23 THR 19 HG23 THR 19 -16.419 11.480 -3.872 149 H LEU 20 H LEU 20 -16.897 9.492 -5.429 150 HA LEU 20 HA LEU 20 -17.819 10.382 -8.052 151 HB2 LEU 20 HB2 LEU 20 -18.444 7.552 -7.143 152 HB3 LEU 20 HB3 LEU 20 -18.915 8.340 -8.613 153 HG LEU 20 HG LEU 20 -15.987 7.763 -7.974 154 HD11 LEU 20 HD11 LEU 20 -16.368 5.816 -9.574 155 HD12 LEU 20 HD12 LEU 20 -16.995 5.651 -7.927 156 HD13 LEU 20 HD13 LEU 20 -18.103 6.007 -9.240 157 HD21 LEU 20 HD21 LEU 20 -17.438 8.345 -10.597 158 HD22 LEU 20 HD22 LEU 20 -16.344 9.444 -9.732 159 HD23 LEU 20 HD23 LEU 20 -15.721 7.939 -10.407 160 H ASP 21 H ASP 21 -18.942 11.924 -7.069 161 HA ASP 21 HA ASP 21 -20.731 11.359 -4.750 162 HB2 ASP 21 HB2 ASP 21 -19.108 13.559 -5.413 163 HB3 ASP 21 HB3 ASP 21 -20.734 14.127 -5.728 164 H SER 22 H SER 22 -20.937 10.752 -7.685 165 HA SER 22 HA SER 22 -23.784 10.862 -8.096 166 HB2 SER 22 HB2 SER 22 -22.086 12.113 -10.283 167 HB3 SER 22 HB3 SER 22 -23.847 11.925 -10.249 168 HG SER 22 HG SER 22 -23.174 14.038 -9.799 169 H ASP 23 H ASP 23 -24.225 8.981 -8.863 170 HA ASP 23 HA ASP 23 -22.992 6.746 -8.747 171 HB2 ASP 23 HB2 ASP 23 -25.387 7.137 -9.049 172 HB3 ASP 23 HB3 ASP 23 -25.156 7.310 -10.792 173 H ASN 24 H ASN 24 -20.868 7.378 -9.630 174 HA ASN 24 HA ASN 24 -19.075 6.951 -10.819 175 HB2 ASN 24 HB2 ASN 24 -20.277 4.570 -10.853 176 HB3 ASN 24 HB3 ASN 24 -20.366 4.860 -12.590 177 HD21 ASN 24 HD22 ASN 24 -17.831 5.923 -13.084 178 HD22 ASN 24 HD21 ASN 24 -16.670 4.697 -12.521 179 H ILE 25 H ILE 25 -20.597 8.921 -11.478 180 HA ILE 25 HA ILE 25 -20.181 9.412 -14.410 181 HB ILE 25 HB ILE 25 -22.290 10.787 -14.478 182 HG12 ILE 25 HG12 ILE 25 -23.014 9.274 -11.965 183 HG13 ILE 25 HG13 ILE 25 -22.663 11.006 -12.080 184 HG21 ILE 25 HG21 ILE 25 -23.645 8.831 -15.016 185 HG22 ILE 25 HG22 ILE 25 -21.979 8.529 -15.500 186 HG23 ILE 25 HG23 ILE 25 -22.612 7.793 -14.018 187 HD11 ILE 25 HD11 ILE 25 -25.055 10.682 -11.988 188 HD12 ILE 25 HD12 ILE 25 -24.633 11.246 -13.617 189 HD13 ILE 25 HD13 ILE 25 -25.012 9.532 -13.328 190 H LEU 26 H LEU 26 -20.135 10.855 -11.219 191 HA LEU 26 HA LEU 26 -19.544 13.472 -12.003 192 HB2 LEU 26 HB2 LEU 26 -20.073 12.885 -9.692 193 HB3 LEU 26 HB3 LEU 26 -18.546 12.013 -9.531 194 HG LEU 26 HG LEU 26 -17.289 14.136 -9.818 195 HD11 LEU 26 HD11 LEU 26 -20.047 15.446 -9.896 196 HD12 LEU 26 HD12 LEU 26 -18.494 16.301 -9.719 197 HD13 LEU 26 HD13 LEU 26 -18.843 15.436 -11.214 198 HD21 LEU 26 HD21 LEU 26 -19.444 14.295 -7.710 199 HD22 LEU 26 HD22 LEU 26 -17.878 13.426 -7.578 200 HD23 LEU 26 HD23 LEU 26 -17.910 15.182 -7.705 201 H LEU 27 H LEU 27 -16.829 11.176 -10.989 202 HA LEU 27 HA LEU 27 -14.758 11.022 -11.530 203 HB2 LEU 27 HB2 LEU 27 -15.289 12.616 -14.045 204 HB3 LEU 27 HB3 LEU 27 -13.773 11.885 -13.588 205 HG LEU 27 HG LEU 27 -14.715 10.486 -15.192 206 HD11 LEU 27 HD11 LEU 27 -13.718 9.282 -13.251 207 HD12 LEU 27 HD12 LEU 27 -15.350 9.067 -12.574 208 HD13 LEU 27 HD13 LEU 27 -14.931 8.333 -14.126 209 HD21 LEU 27 HD21 LEU 27 -17.103 11.243 -14.956 210 HD22 LEU 27 HD22 LEU 27 -16.875 9.499 -15.226 211 HD23 LEU 27 HD23 LEU 27 -17.268 10.096 -13.614 212 H SER 28 H SER 28 -14.236 11.929 -9.676 213 HA SER 28 HA SER 28 -12.840 14.569 -9.865 214 HB2 SER 28 HB2 SER 28 -15.013 14.907 -8.762 215 HB3 SER 28 HB3 SER 28 -14.638 13.620 -7.615 216 HG SER 28 HG SER 28 -14.147 15.480 -6.634 217 H GLU 29 H GLU 29 -11.006 14.801 -8.410 218 HA GLU 29 HA GLU 29 -10.123 12.375 -6.948 219 HB2 GLU 29 HB2 GLU 29 -8.196 14.021 -8.617 220 HB3 GLU 29 HB3 GLU 29 -7.880 12.573 -7.677 221 HG2 GLU 29 HG2 GLU 29 -7.891 11.718 -9.802 222 HG3 GLU 29 HG3 GLU 29 -9.530 11.365 -9.269 223 H GLU 30 H GLU 30 -9.174 12.773 -5.034 224 HA GLU 30 HA GLU 30 -8.697 15.607 -4.159 225 HB2 GLU 30 HB2 GLU 30 -9.257 13.538 -2.104 226 HB3 GLU 30 HB3 GLU 30 -9.668 15.227 -2.110 227 HG2 GLU 30 HG2 GLU 30 -11.170 13.092 -3.717 228 HG3 GLU 30 HG3 GLU 30 -11.503 13.465 -2.046 229 H GLN 31 H GLN 31 -6.541 16.020 -3.425 230 HA GLN 31 HA GLN 31 -4.872 13.645 -2.754 231 HB2 GLN 31 HB2 GLN 31 -4.214 16.460 -3.628 232 HB3 GLN 31 HB3 GLN 31 -3.115 15.568 -2.585 233 HG2 GLN 31 HG2 GLN 31 -3.738 13.696 -4.607 234 HG3 GLN 31 HG3 GLN 31 -3.577 15.237 -5.454 235 HE21 GLN 31 HE21 GLN 31 -1.927 13.150 -3.003 236 HE22 GLN 31 HE22 GLN 31 -0.310 13.788 -3.373 237 H VAL 32 H VAL 32 -4.240 13.245 -0.790 238 HA VAL 32 HA VAL 32 -5.005 15.110 1.428 239 HB VAL 32 HB VAL 32 -5.969 13.311 2.680 240 HG11 VAL 32 HG11 VAL 32 -7.247 13.273 -0.075 241 HG12 VAL 32 HG12 VAL 32 -8.014 12.937 1.488 242 HG13 VAL 32 HG13 VAL 32 -7.443 14.571 1.130 243 HG21 VAL 32 HG21 VAL 32 -4.670 11.381 1.856 244 HG22 VAL 32 HG22 VAL 32 -6.399 11.087 1.781 245 HG23 VAL 32 HG23 VAL 32 -5.514 11.475 0.289 246 H ASP 33 H ASP 33 -4.028 14.802 3.400 247 HA ASP 33 HA ASP 33 -1.275 13.831 3.409 248 HB2 ASP 33 HB2 ASP 33 -3.052 14.812 5.678 249 HB3 ASP 33 HB3 ASP 33 -1.320 14.530 5.772 250 H VAL 34 H VAL 34 -0.430 11.989 4.667 251 HA VAL 34 HA VAL 34 -1.944 9.715 4.152 252 HB VAL 34 HB VAL 34 0.521 9.838 4.292 253 HG11 VAL 34 HG11 VAL 34 0.835 10.951 6.448 254 HG12 VAL 34 HG12 VAL 34 0.101 9.574 7.306 255 HG13 VAL 34 HG13 VAL 34 1.628 9.375 6.460 256 HG21 VAL 34 HG21 VAL 34 -0.685 7.672 4.130 257 HG22 VAL 34 HG22 VAL 34 0.869 7.555 4.980 258 HG23 VAL 34 HG23 VAL 34 -0.644 7.536 5.898 259 H GLU 35 H GLU 35 -1.948 11.445 7.264 260 HA GLU 35 HA GLU 35 -3.318 9.258 8.629 261 HB2 GLU 35 HB2 GLU 35 -1.833 10.937 9.694 262 HB3 GLU 35 HB3 GLU 35 -3.079 12.161 9.459 263 HG2 GLU 35 HG2 GLU 35 -4.529 11.119 11.041 264 HG3 GLU 35 HG3 GLU 35 -3.695 9.564 10.908 265 H LEU 36 H LEU 36 -4.422 11.388 6.282 266 HA LEU 36 HA LEU 36 -7.224 11.474 7.257 267 HB2 LEU 36 HB2 LEU 36 -5.989 12.834 4.854 268 HB3 LEU 36 HB3 LEU 36 -7.553 13.173 5.577 269 HG LEU 36 HG LEU 36 -4.825 13.742 6.828 270 HD11 LEU 36 HD11 LEU 36 -6.975 15.638 5.812 271 HD12 LEU 36 HD12 LEU 36 -5.400 16.082 6.500 272 HD13 LEU 36 HD13 LEU 36 -5.479 15.237 4.945 273 HD21 LEU 36 HD21 LEU 36 -6.442 13.252 8.603 274 HD22 LEU 36 HD22 LEU 36 -6.101 14.984 8.552 275 HD23 LEU 36 HD23 LEU 36 -7.619 14.362 7.862 276 H VAL 37 H VAL 37 -5.402 9.365 5.383 277 HA VAL 37 HA VAL 37 -7.755 8.503 3.751 278 HB VAL 37 HB VAL 37 -5.908 8.698 2.317 279 HG11 VAL 37 HG11 VAL 37 -4.008 8.733 3.793 280 HG12 VAL 37 HG12 VAL 37 -4.252 7.025 4.239 281 HG13 VAL 37 HG13 VAL 37 -3.778 7.470 2.586 282 HG21 VAL 37 HG21 VAL 37 -7.299 6.693 2.001 283 HG22 VAL 37 HG22 VAL 37 -5.619 6.429 1.495 284 HG23 VAL 37 HG23 VAL 37 -6.188 5.749 3.024 285 H GLN 38 H GLN 38 -8.838 6.640 4.299 286 HA GLN 38 HA GLN 38 -7.860 5.054 6.580 287 HB2 GLN 38 HB2 GLN 38 -10.531 6.521 6.779 288 HB3 GLN 38 HB3 GLN 38 -9.719 5.533 7.996 289 HG2 GLN 38 HG2 GLN 38 -7.879 7.281 8.040 290 HG3 GLN 38 HG3 GLN 38 -8.858 8.261 6.934 291 HE21 GLN 38 HE22 GLN 38 -11.233 8.614 7.839 292 HE22 GLN 38 HE21 GLN 38 -11.095 9.098 9.510 293 H ARG 39 H ARG 39 -10.066 3.657 7.199 294 HA ARG 39 HA ARG 39 -9.797 1.609 5.251 295 HB2 ARG 39 HB2 ARG 39 -10.922 0.206 6.847 296 HB3 ARG 39 HB3 ARG 39 -9.881 1.316 7.747 297 HG2 ARG 39 HG2 ARG 39 -11.955 2.748 8.062 298 HG3 ARG 39 HG3 ARG 39 -12.896 1.422 7.374 299 HD2 ARG 39 HD2 ARG 39 -12.078 -0.085 9.182 300 HD3 ARG 39 HD3 ARG 39 -11.171 1.271 9.875 301 HE ARG 39 HE ARG 39 -13.966 1.966 9.498 302 HH11 ARG 39 HH11 ARG 39 -11.951 0.250 11.908 303 HH12 ARG 39 HH12 ARG 39 -13.233 0.499 13.083 304 HH21 ARG 39 HH21 ARG 39 -15.335 2.188 11.058 305 HH22 ARG 39 HH22 ARG 39 -14.996 1.567 12.675 306 H GLY 40 H GLY 40 -11.550 3.927 4.330 307 HA2 GLY 40 HA2 GLY 40 -13.586 2.216 2.973 308 HA3 GLY 40 HA3 GLY 40 -14.127 3.694 3.771 309 H ASP 41 H ASP 41 -11.007 4.186 2.399 310 HA ASP 41 HA ASP 41 -12.189 5.772 0.224 311 HB2 ASP 41 HB2 ASP 41 -9.389 5.597 1.379 312 HB3 ASP 41 HB3 ASP 41 -9.888 6.712 0.099 313 H ILE 42 H ILE 42 -11.665 5.711 -1.970 314 HA ILE 42 HA ILE 42 -10.248 3.274 -2.959 315 HB ILE 42 HB ILE 42 -12.099 5.109 -4.482 316 HG12 ILE 42 HG12 ILE 42 -13.438 3.865 -2.921 317 HG13 ILE 42 HG13 ILE 42 -13.652 3.219 -4.535 318 HG21 ILE 42 HG21 ILE 42 -10.696 2.510 -5.266 319 HG22 ILE 42 HG22 ILE 42 -11.971 3.307 -6.216 320 HG23 ILE 42 HG23 ILE 42 -10.426 4.116 -5.959 321 HD11 ILE 42 HD11 ILE 42 -13.613 1.410 -2.943 322 HD12 ILE 42 HD12 ILE 42 -12.158 1.301 -3.947 323 HD13 ILE 42 HD13 ILE 42 -12.063 1.946 -2.287 324 H ILE 43 H ILE 43 -8.211 3.569 -3.538 325 HA ILE 43 HA ILE 43 -7.111 6.178 -4.218 326 HB ILE 43 HB ILE 43 -5.883 3.435 -3.738 327 HG12 ILE 43 HG12 ILE 43 -7.032 4.034 -1.723 328 HG13 ILE 43 HG13 ILE 43 -5.319 4.242 -1.460 329 HG21 ILE 43 HG21 ILE 43 -4.198 4.735 -4.841 330 HG22 ILE 43 HG22 ILE 43 -4.524 6.150 -3.806 331 HG23 ILE 43 HG23 ILE 43 -3.793 4.685 -3.139 332 HD11 ILE 43 HD11 ILE 43 -5.547 6.701 -1.688 333 HD12 ILE 43 HD12 ILE 43 -7.284 6.512 -2.028 334 HD13 ILE 43 HD13 ILE 43 -6.650 6.055 -0.455 335 H LYS 44 H LYS 44 -5.365 6.171 -5.878 336 HA LYS 44 HA LYS 44 -5.798 4.515 -8.283 337 HB2 LYS 44 HB2 LYS 44 -7.267 6.426 -8.685 338 HB3 LYS 44 HB3 LYS 44 -5.863 7.513 -8.588 339 HG2 LYS 44 HG2 LYS 44 -4.783 6.309 -10.449 340 HG3 LYS 44 HG3 LYS 44 -6.096 5.127 -10.504 341 HD2 LYS 44 HD2 LYS 44 -6.463 8.097 -10.970 342 HD3 LYS 44 HD3 LYS 44 -6.123 6.914 -12.253 343 HE2 LYS 44 HE2 LYS 44 -8.198 5.659 -11.492 344 HE3 LYS 44 HE3 LYS 44 -8.591 7.053 -10.479 345 HZ1 LYS 44 HZ1 LYS 44 -8.533 8.391 -12.608 346 HZ2 LYS 44 HZ2 LYS 44 -8.372 6.972 -13.438 347 HZ3 LYS 44 HZ3 LYS 44 -9.722 7.303 -12.540 348 H VAL 45 H VAL 45 -3.830 3.798 -8.940 349 HA VAL 45 HA VAL 45 -1.403 5.396 -8.245 350 HB VAL 45 HB VAL 45 -2.030 3.420 -6.738 351 HG11 VAL 45 HG11 VAL 45 -0.939 1.788 -9.073 352 HG12 VAL 45 HG12 VAL 45 -1.301 1.199 -7.450 353 HG13 VAL 45 HG13 VAL 45 -2.613 1.808 -8.479 354 HG21 VAL 45 HG21 VAL 45 0.235 4.498 -6.783 355 HG22 VAL 45 HG22 VAL 45 0.309 2.762 -6.441 356 HG23 VAL 45 HG23 VAL 45 0.736 3.357 -8.055 357 H VAL 46 H VAL 46 0.312 5.402 -9.596 358 HA VAL 46 HA VAL 46 -0.224 4.621 -12.383 359 HB VAL 46 HB VAL 46 1.392 6.267 -12.994 360 HG11 VAL 46 HG11 VAL 46 -0.800 7.131 -12.132 361 HG12 VAL 46 HG12 VAL 46 0.010 7.440 -10.573 362 HG13 VAL 46 HG13 VAL 46 0.552 8.279 -12.032 363 HG21 VAL 46 HG21 VAL 46 2.275 6.362 -10.087 364 HG22 VAL 46 HG22 VAL 46 3.229 5.857 -11.492 365 HG23 VAL 46 HG23 VAL 46 2.742 7.541 -11.327 366 HA PRO 47 HA PRO 47 3.262 1.697 -12.656 367 HB2 PRO 47 HB2 PRO 47 4.336 2.331 -15.126 368 HB3 PRO 47 HB3 PRO 47 2.857 1.353 -14.900 369 HG2 PRO 47 HG2 PRO 47 3.063 4.319 -15.487 370 HG3 PRO 47 HG3 PRO 47 2.009 3.093 -16.272 371 HD2 PRO 47 HD2 PRO 47 1.043 4.693 -14.356 372 HD3 PRO 47 HD3 PRO 47 0.595 2.970 -14.395 373 H GLY 48 H GLY 48 4.633 2.315 -11.151 374 HA2 GLY 48 HA2 GLY 48 6.770 3.145 -10.391 375 HA3 GLY 48 HA3 GLY 48 6.697 4.459 -11.582 376 H GLY 49 H GLY 49 5.168 3.174 -8.660 377 HA2 GLY 49 HA2 GLY 49 4.638 5.635 -7.403 378 HA3 GLY 49 HA3 GLY 49 3.117 4.962 -8.019 379 H LYS 50 H LYS 50 3.557 5.187 -5.235 380 HA LYS 50 HA LYS 50 4.097 2.364 -4.349 381 HB2 LYS 50 HB2 LYS 50 4.727 4.902 -2.812 382 HB3 LYS 50 HB3 LYS 50 5.106 3.238 -2.349 383 HG2 LYS 50 HG2 LYS 50 6.648 3.058 -4.295 384 HG3 LYS 50 HG3 LYS 50 6.324 4.759 -4.692 385 HD2 LYS 50 HD2 LYS 50 7.112 5.416 -2.414 386 HD3 LYS 50 HD3 LYS 50 7.512 3.718 -2.086 387 HE2 LYS 50 HE2 LYS 50 9.104 3.796 -4.055 388 HE3 LYS 50 HE3 LYS 50 8.746 5.523 -4.216 389 HZ1 LYS 50 HZ1 LYS 50 10.734 5.158 -2.853 390 HZ2 LYS 50 HZ2 LYS 50 9.562 5.855 -1.976 391 HZ3 LYS 50 HZ3 LYS 50 9.883 4.239 -1.790 392 H PHE 51 H PHE 51 3.024 1.561 -2.581 393 HA PHE 51 HA PHE 51 0.293 2.563 -2.230 394 HB2 PHE 51 HB2 PHE 51 1.673 0.126 -1.147 395 HB3 PHE 51 HB3 PHE 51 -0.056 0.451 -1.026 396 HD1 PHE 51 HD2 PHE 51 -1.226 0.951 -3.436 397 HD2 PHE 51 HD1 PHE 51 2.412 -1.286 -2.834 398 HE1 PHE 51 HE2 PHE 51 -1.558 -0.203 -5.610 399 HE2 PHE 51 HE1 PHE 51 2.091 -2.395 -5.030 400 HZ PHE 51 HZ PHE 51 0.101 -1.861 -6.419 401 HA PRO 52 HA PRO 52 1.362 4.332 1.814 402 HB2 PRO 52 HB2 PRO 52 -0.807 5.860 2.246 403 HB3 PRO 52 HB3 PRO 52 0.271 6.155 0.845 404 HG2 PRO 52 HG2 PRO 52 -2.362 4.641 0.877 405 HG3 PRO 52 HG3 PRO 52 -1.833 5.918 -0.255 406 HD2 PRO 52 HD2 PRO 52 -1.588 3.203 -0.771 407 HD3 PRO 52 HD3 PRO 52 -0.498 4.452 -1.441 408 H VAL 53 H VAL 53 -1.157 1.992 1.496 409 HA VAL 53 HA VAL 53 -1.231 1.263 4.262 410 HB VAL 53 HB VAL 53 -3.888 1.218 4.133 411 HG11 VAL 53 HG11 VAL 53 -2.360 3.671 5.066 412 HG12 VAL 53 HG12 VAL 53 -3.971 3.148 5.600 413 HG13 VAL 53 HG13 VAL 53 -2.560 2.152 5.971 414 HG21 VAL 53 HG21 VAL 53 -4.023 2.485 1.956 415 HG22 VAL 53 HG22 VAL 53 -4.905 3.223 3.309 416 HG23 VAL 53 HG23 VAL 53 -3.350 3.902 2.816 417 H ASP 54 H ASP 54 -2.671 -0.820 4.441 418 HA ASP 54 HA ASP 54 -2.192 -2.349 1.935 419 HB2 ASP 54 HB2 ASP 54 -1.872 -4.255 3.116 420 HB3 ASP 54 HB3 ASP 54 -1.086 -3.041 4.109 421 H GLY 55 H GLY 55 -3.697 -3.696 0.938 422 HA2 GLY 55 HA2 GLY 55 -6.424 -3.997 1.643 423 HA3 GLY 55 HA3 GLY 55 -6.275 -2.481 0.756 424 H ARG 56 H ARG 56 -7.678 -3.465 -0.798 425 HA ARG 56 HA ARG 56 -6.452 -5.599 -2.515 426 HB2 ARG 56 HB2 ARG 56 -8.521 -6.088 -1.086 427 HB3 ARG 56 HB3 ARG 56 -9.416 -5.096 -2.240 428 HG2 ARG 56 HG2 ARG 56 -8.773 -6.648 -4.069 429 HG3 ARG 56 HG3 ARG 56 -7.782 -7.565 -2.925 430 HD2 ARG 56 HD2 ARG 56 -9.751 -8.812 -3.138 431 HD3 ARG 56 HD3 ARG 56 -9.879 -8.029 -1.571 432 HE ARG 56 HE ARG 56 -11.542 -7.610 -3.977 433 HH11 ARG 56 HH11 ARG 56 -11.040 -6.449 -0.655 434 HH12 ARG 56 HH12 ARG 56 -12.498 -5.493 -0.764 435 HH21 ARG 56 HH21 ARG 56 -13.297 -6.556 -3.934 436 HH22 ARG 56 HH22 ARG 56 -13.765 -5.516 -2.611 437 H VAL 57 H VAL 57 -6.400 -5.477 -4.666 438 HA VAL 57 HA VAL 57 -6.846 -2.893 -6.050 439 HB VAL 57 HB VAL 57 -5.500 -5.517 -6.832 440 HG11 VAL 57 HG11 VAL 57 -5.867 -3.009 -8.525 441 HG12 VAL 57 HG12 VAL 57 -4.819 -4.396 -8.924 442 HG13 VAL 57 HG13 VAL 57 -6.552 -4.618 -8.852 443 HG21 VAL 57 HG21 VAL 57 -4.191 -4.041 -5.310 444 HG22 VAL 57 HG22 VAL 57 -3.450 -4.196 -6.905 445 HG23 VAL 57 HG23 VAL 57 -4.345 -2.717 -6.484 446 H ILE 58 H ILE 58 -8.638 -2.626 -7.274 447 HA ILE 58 HA ILE 58 -10.099 -5.014 -8.308 448 HB ILE 58 HB ILE 58 -12.280 -3.880 -7.602 449 HG12 ILE 58 HG12 ILE 58 -10.496 -2.548 -5.522 450 HG13 ILE 58 HG13 ILE 58 -11.090 -1.693 -6.958 451 HG21 ILE 58 HG21 ILE 58 -12.334 -4.999 -5.490 452 HG22 ILE 58 HG22 ILE 58 -11.366 -5.965 -6.598 453 HG23 ILE 58 HG23 ILE 58 -10.567 -4.980 -5.346 454 HD11 ILE 58 HD11 ILE 58 -12.530 -1.156 -5.103 455 HD12 ILE 58 HD12 ILE 58 -13.439 -2.157 -6.249 456 HD13 ILE 58 HD13 ILE 58 -12.812 -2.867 -4.737 457 H GLU 59 H GLU 59 -8.367 -3.053 -9.619 458 HA GLU 59 HA GLU 59 -9.983 -2.938 -11.988 459 HB2 GLU 59 HB2 GLU 59 -10.589 -0.744 -10.720 460 HB3 GLU 59 HB3 GLU 59 -8.908 -0.293 -10.913 461 HG2 GLU 59 HG2 GLU 59 -10.295 0.785 -12.577 462 HG3 GLU 59 HG3 GLU 59 -9.147 -0.300 -13.358 463 H GLY 60 H GLY 60 -8.570 -3.365 -13.681 464 HA2 GLY 60 HA2 GLY 60 -6.737 -2.983 -15.052 465 HA3 GLY 60 HA3 GLY 60 -5.994 -2.001 -13.804 466 H HIS 61 H HIS 61 -4.124 -3.064 -14.678 467 HA HIS 61 HA HIS 61 -3.399 -5.586 -13.339 468 HB2 HIS 61 HB2 HIS 61 -2.618 -6.686 -15.333 469 HB3 HIS 61 HB3 HIS 61 -4.341 -6.375 -15.420 470 HD1 HIS 61 HD1 HIS 61 -3.472 -3.163 -16.578 471 HD2 HIS 61 HD2 HIS 61 -2.778 -7.057 -18.033 472 HE1 HIS 61 HE1 HIS 61 -3.137 -2.947 -19.095 473 H SER 62 H SER 62 -1.464 -5.480 -12.514 474 HA SER 62 HA SER 62 0.741 -4.028 -13.812 475 HB2 SER 62 HB2 SER 62 -0.658 -2.487 -12.101 476 HB3 SER 62 HB3 SER 62 0.487 -3.202 -10.952 477 HG SER 62 HG SER 62 0.855 -1.210 -12.438 478 H MET 63 H MET 63 2.775 -4.125 -12.309 479 HA MET 63 HA MET 63 2.945 -6.815 -11.041 480 HB2 MET 63 HB2 MET 63 3.925 -6.669 -13.322 481 HB3 MET 63 HB3 MET 63 5.065 -5.452 -12.738 482 HG2 MET 63 HG2 MET 63 6.120 -6.997 -11.281 483 HG3 MET 63 HG3 MET 63 4.807 -8.168 -11.406 484 HE1 MET 63 HE1 MET 63 5.243 -9.985 -14.700 485 HE2 MET 63 HE2 MET 63 4.692 -10.104 -13.014 486 HE3 MET 63 HE3 MET 63 4.021 -8.849 -14.076 487 H VAL 64 H VAL 64 3.797 -6.857 -9.072 488 HA VAL 64 HA VAL 64 4.657 -4.281 -7.843 489 HB VAL 64 HB VAL 64 3.062 -6.563 -6.637 490 HG11 VAL 64 HG11 VAL 64 3.848 -3.887 -5.401 491 HG12 VAL 64 HG12 VAL 64 2.729 -5.073 -4.694 492 HG13 VAL 64 HG13 VAL 64 4.433 -5.477 -4.887 493 HG21 VAL 64 HG21 VAL 64 1.727 -5.189 -8.194 494 HG22 VAL 64 HG22 VAL 64 1.247 -4.847 -6.529 495 HG23 VAL 64 HG23 VAL 64 2.291 -3.707 -7.404 496 H ASP 65 H ASP 65 6.286 -4.152 -6.446 497 HA ASP 65 HA ASP 65 8.100 -6.515 -6.156 498 HB2 ASP 65 HB2 ASP 65 8.956 -4.552 -7.402 499 HB3 ASP 65 HB3 ASP 65 8.730 -3.547 -5.970 500 H GLU 66 H GLU 66 7.041 -7.459 -4.383 501 HA GLU 66 HA GLU 66 6.618 -5.945 -1.890 502 HB2 GLU 66 HB2 GLU 66 6.034 -8.873 -2.410 503 HB3 GLU 66 HB3 GLU 66 5.465 -7.830 -1.096 504 HG2 GLU 66 HG2 GLU 66 4.109 -6.534 -2.712 505 HG3 GLU 66 HG3 GLU 66 4.629 -7.637 -3.999 506 H SER 67 H SER 67 9.403 -6.262 -2.634 507 HA SER 67 HA SER 67 10.661 -8.531 -1.727 508 HB2 SER 67 HB2 SER 67 12.718 -7.078 -1.749 509 HB3 SER 67 HB3 SER 67 11.737 -7.058 -3.218 510 HG SER 67 HG SER 67 12.470 -5.011 -2.513 511 H LEU 68 H LEU 68 9.889 -5.733 0.362 512 HA LEU 68 HA LEU 68 11.587 -6.875 2.514 513 HB2 LEU 68 HB2 LEU 68 11.756 -4.507 1.695 514 HB3 LEU 68 HB3 LEU 68 10.138 -4.203 2.282 515 HG LEU 68 HG LEU 68 11.887 -3.274 3.693 516 HD11 LEU 68 HD11 LEU 68 10.558 -5.467 5.306 517 HD12 LEU 68 HD12 LEU 68 11.098 -3.872 5.838 518 HD13 LEU 68 HD13 LEU 68 9.717 -4.005 4.734 519 HD21 LEU 68 HD21 LEU 68 12.754 -6.102 4.370 520 HD22 LEU 68 HD22 LEU 68 13.649 -4.957 3.339 521 HD23 LEU 68 HD23 LEU 68 13.384 -4.587 5.051 522 H ILE 69 H ILE 69 8.274 -5.762 2.024 523 HA ILE 69 HA ILE 69 7.303 -6.427 4.648 524 HB ILE 69 HB ILE 69 5.559 -6.437 2.152 525 HG12 ILE 69 HG12 ILE 69 6.994 -4.340 2.169 526 HG13 ILE 69 HG13 ILE 69 5.289 -4.079 2.218 527 HG21 ILE 69 HG21 ILE 69 5.073 -6.027 5.128 528 HG22 ILE 69 HG22 ILE 69 3.915 -5.446 3.931 529 HG23 ILE 69 HG23 ILE 69 4.306 -7.169 4.001 530 HD11 ILE 69 HD11 ILE 69 7.154 -3.838 4.575 531 HD12 ILE 69 HD12 ILE 69 6.380 -2.524 3.637 532 HD13 ILE 69 HD13 ILE 69 5.383 -3.618 4.611 533 H THR 70 H THR 70 6.817 -8.108 1.584 534 HA THR 70 HA THR 70 5.635 -10.449 2.854 535 HB THR 70 HB THR 70 6.059 -9.634 -0.039 536 HG1 THR 70 HG1 THR 70 3.910 -8.920 0.116 537 HG21 THR 70 HG21 THR 70 4.268 -11.056 -0.615 538 HG22 THR 70 HG22 THR 70 5.417 -12.043 0.310 539 HG23 THR 70 HG23 THR 70 3.940 -11.420 1.088 540 H GLY 71 H GLY 71 8.606 -9.622 1.097 541 HA2 GLY 71 HA2 GLY 71 10.668 -10.647 1.494 542 HA3 GLY 71 HA3 GLY 71 9.864 -12.076 2.134 543 H GLU 72 H GLU 72 8.448 -11.356 -0.754 544 HA GLU 72 HA GLU 72 9.364 -13.607 -2.215 545 HB2 GLU 72 HB2 GLU 72 8.137 -11.020 -3.254 546 HB3 GLU 72 HB3 GLU 72 8.337 -12.473 -4.231 547 HG2 GLU 72 HG2 GLU 72 6.700 -12.419 -1.664 548 HG3 GLU 72 HG3 GLU 72 6.033 -12.062 -3.249 549 H ALA 73 H ALA 73 10.269 -10.201 -2.970 550 HA ALA 73 HA ALA 73 12.168 -9.228 -3.603 551 HB1 ALA 73 HB1 ALA 73 13.642 -11.728 -2.745 552 HB2 ALA 73 HB2 ALA 73 14.341 -10.123 -3.050 553 HB3 ALA 73 HB3 ALA 73 13.213 -10.358 -1.702 554 H MET 74 H MET 74 10.499 -10.340 -5.294 555 HA MET 74 HA MET 74 11.914 -10.446 -7.816 556 HB2 MET 74 HB2 MET 74 10.753 -12.462 -8.573 557 HB3 MET 74 HB3 MET 74 11.935 -12.816 -7.319 558 HG2 MET 74 HG2 MET 74 10.115 -13.026 -5.674 559 HG3 MET 74 HG3 MET 74 8.921 -12.600 -6.906 560 HE1 MET 74 HE1 MET 74 7.581 -14.740 -6.086 561 HE2 MET 74 HE2 MET 74 8.246 -16.390 -6.085 562 HE3 MET 74 HE3 MET 74 8.876 -15.177 -4.950 563 HA PRO 75 HA PRO 75 8.106 -8.266 -8.849 564 HB2 PRO 75 HB2 PRO 75 8.362 -9.515 -11.576 565 HB3 PRO 75 HB3 PRO 75 8.179 -7.788 -11.130 566 HG2 PRO 75 HG2 PRO 75 10.578 -8.788 -11.917 567 HG3 PRO 75 HG3 PRO 75 10.459 -7.582 -10.595 568 HD2 PRO 75 HD2 PRO 75 10.849 -10.575 -10.373 569 HD3 PRO 75 HD3 PRO 75 11.584 -9.234 -9.457 570 H VAL 76 H VAL 76 5.966 -8.744 -8.528 571 HA VAL 76 HA VAL 76 4.840 -11.394 -9.397 572 HB VAL 76 HB VAL 76 4.227 -9.897 -6.827 573 HG11 VAL 76 HG11 VAL 76 3.224 -12.588 -7.869 574 HG12 VAL 76 HG12 VAL 76 2.943 -11.948 -6.239 575 HG13 VAL 76 HG13 VAL 76 2.243 -11.125 -7.627 576 HG21 VAL 76 HG21 VAL 76 6.419 -10.986 -6.663 577 HG22 VAL 76 HG22 VAL 76 5.240 -11.893 -5.719 578 HG23 VAL 76 HG23 VAL 76 5.749 -12.500 -7.309 579 H ALA 77 H ALA 77 3.009 -11.372 -10.555 580 HA ALA 77 HA ALA 77 1.917 -8.785 -11.388 581 HB1 ALA 77 HB1 ALA 77 1.059 -11.567 -12.226 582 HB2 ALA 77 HB2 ALA 77 0.655 -10.038 -13.026 583 HB3 ALA 77 HB3 ALA 77 2.335 -10.604 -13.007 584 H LYS 78 H LYS 78 -0.019 -7.938 -11.121 585 HA LYS 78 HA LYS 78 -2.093 -9.247 -9.377 586 HB2 LYS 78 HB2 LYS 78 -1.519 -6.265 -9.634 587 HB3 LYS 78 HB3 LYS 78 -2.670 -7.020 -8.534 588 HG2 LYS 78 HG2 LYS 78 0.361 -7.317 -8.401 589 HG3 LYS 78 HG3 LYS 78 -0.603 -6.211 -7.437 590 HD2 LYS 78 HD2 LYS 78 -1.720 -8.004 -6.281 591 HD3 LYS 78 HD3 LYS 78 -0.957 -9.233 -7.310 592 HE2 LYS 78 HE2 LYS 78 1.253 -8.653 -6.459 593 HE3 LYS 78 HE3 LYS 78 0.587 -7.301 -5.528 594 HZ1 LYS 78 HZ1 LYS 78 -0.087 -10.155 -5.064 595 HZ2 LYS 78 HZ2 LYS 78 0.978 -9.262 -4.167 596 HZ3 LYS 78 HZ3 LYS 78 -0.626 -8.885 -4.165 597 H LYS 79 H LYS 79 -4.296 -8.787 -9.809 598 HA LYS 79 HA LYS 79 -5.164 -7.295 -12.152 599 HB2 LYS 79 HB2 LYS 79 -4.985 -10.213 -12.161 600 HB3 LYS 79 HB3 LYS 79 -6.680 -9.767 -12.051 601 HG2 LYS 79 HG2 LYS 79 -6.217 -8.154 -14.042 602 HG3 LYS 79 HG3 LYS 79 -4.689 -9.004 -14.219 603 HD2 LYS 79 HD2 LYS 79 -7.466 -10.256 -14.327 604 HD3 LYS 79 HD3 LYS 79 -6.459 -9.871 -15.723 605 HE2 LYS 79 HE2 LYS 79 -4.731 -11.484 -14.933 606 HE3 LYS 79 HE3 LYS 79 -5.733 -11.851 -13.518 607 HZ1 LYS 79 HZ1 LYS 79 -6.202 -13.516 -15.081 608 HZ2 LYS 79 HZ2 LYS 79 -7.501 -12.527 -15.165 609 HZ3 LYS 79 HZ3 LYS 79 -6.347 -12.487 -16.345 610 HA PRO 80 HA PRO 80 -8.480 -6.389 -9.329 611 HB2 PRO 80 HB2 PRO 80 -10.591 -7.851 -10.891 612 HB3 PRO 80 HB3 PRO 80 -10.630 -6.194 -10.199 613 HG2 PRO 80 HG2 PRO 80 -10.171 -6.540 -12.785 614 HG3 PRO 80 HG3 PRO 80 -9.142 -5.378 -11.892 615 HD2 PRO 80 HD2 PRO 80 -8.505 -8.255 -12.655 616 HD3 PRO 80 HD3 PRO 80 -7.491 -6.792 -12.840 617 H GLY 81 H GLY 81 -9.465 -7.080 -7.546 618 HA2 GLY 81 HA2 GLY 81 -10.168 -8.468 -5.804 619 HA3 GLY 81 HA3 GLY 81 -10.176 -9.855 -6.892 620 H SER 82 H SER 82 -7.287 -7.768 -6.433 621 HA SER 82 HA SER 82 -5.859 -10.151 -5.278 622 HB2 SER 82 HB2 SER 82 -5.312 -9.594 -7.692 623 HB3 SER 82 HB3 SER 82 -4.663 -8.046 -7.101 624 HG SER 82 HG SER 82 -3.793 -10.689 -6.699 625 H THR 83 H THR 83 -4.166 -9.655 -3.626 626 HA THR 83 HA THR 83 -4.807 -7.106 -2.262 627 HB THR 83 HB THR 83 -3.729 -8.270 -0.290 628 HG1 THR 83 HG1 THR 83 -3.914 -10.611 -0.547 629 HG21 THR 83 HG21 THR 83 -6.215 -9.569 -1.494 630 HG22 THR 83 HG22 THR 83 -5.743 -9.541 0.220 631 HG23 THR 83 HG23 THR 83 -6.189 -8.034 -0.591 632 H VAL 84 H VAL 84 -3.364 -5.735 -1.457 633 HA VAL 84 HA VAL 84 -0.468 -6.023 -2.088 634 HB VAL 84 HB VAL 84 -0.404 -3.649 -2.800 635 HG11 VAL 84 HG11 VAL 84 -2.203 -5.356 -4.555 636 HG12 VAL 84 HG12 VAL 84 -1.202 -3.982 -5.064 637 HG13 VAL 84 HG13 VAL 84 -0.433 -5.463 -4.464 638 HG21 VAL 84 HG21 VAL 84 -2.515 -2.833 -1.785 639 HG22 VAL 84 HG22 VAL 84 -2.421 -2.478 -3.515 640 HG23 VAL 84 HG23 VAL 84 -3.445 -3.809 -2.940 641 H ILE 85 H ILE 85 0.798 -4.209 -1.006 642 HA ILE 85 HA ILE 85 -0.259 -3.460 1.644 643 HB ILE 85 HB ILE 85 1.607 -4.310 2.825 644 HG12 ILE 85 HG12 ILE 85 3.414 -4.105 1.355 645 HG13 ILE 85 HG13 ILE 85 3.304 -5.790 1.868 646 HG21 ILE 85 HG21 ILE 85 0.532 -6.607 1.162 647 HG22 ILE 85 HG22 ILE 85 1.295 -6.692 2.758 648 HG23 ILE 85 HG23 ILE 85 -0.251 -5.859 2.578 649 HD11 ILE 85 HD11 ILE 85 2.744 -4.666 -0.861 650 HD12 ILE 85 HD12 ILE 85 4.019 -5.776 -0.332 651 HD13 ILE 85 HD13 ILE 85 2.334 -6.341 -0.374 652 H ALA 86 H ALA 86 0.993 -1.834 2.748 653 HA ALA 86 HA ALA 86 1.784 0.207 0.962 654 HB1 ALA 86 HB1 ALA 86 2.188 0.112 3.959 655 HB2 ALA 86 HB2 ALA 86 2.129 1.556 2.943 656 HB3 ALA 86 HB3 ALA 86 0.686 0.543 3.159 657 H GLY 87 H GLY 87 3.723 1.366 0.762 658 HA2 GLY 87 HA2 GLY 87 6.039 1.803 0.850 659 HA3 GLY 87 HA3 GLY 87 6.234 0.428 1.950 660 H SER 88 H SER 88 4.594 -0.904 -0.524 661 HA SER 88 HA SER 88 7.031 -1.838 -1.960 662 HB2 SER 88 HB2 SER 88 4.217 -2.977 -1.936 663 HB3 SER 88 HB3 SER 88 5.626 -3.657 -2.778 664 HG SER 88 HG SER 88 5.275 -3.262 0.015 665 H ILE 89 H ILE 89 6.908 -1.979 -4.314 666 HA ILE 89 HA ILE 89 5.776 0.569 -5.322 667 HB ILE 89 HB ILE 89 7.836 -0.960 -6.860 668 HG12 ILE 89 HG12 ILE 89 8.853 -1.118 -4.654 669 HG13 ILE 89 HG13 ILE 89 9.726 -0.038 -5.714 670 HG21 ILE 89 HG21 ILE 89 7.285 1.997 -6.334 671 HG22 ILE 89 HG22 ILE 89 8.605 1.377 -7.344 672 HG23 ILE 89 HG23 ILE 89 6.931 1.083 -7.813 673 HD11 ILE 89 HD11 ILE 89 8.820 1.923 -4.564 674 HD12 ILE 89 HD12 ILE 89 7.850 0.889 -3.490 675 HD13 ILE 89 HD13 ILE 89 9.621 0.839 -3.424 676 H ASN 90 H ASN 90 4.587 0.745 -7.156 677 HA ASN 90 HA ASN 90 3.516 -1.713 -8.478 678 HB2 ASN 90 HB2 ASN 90 1.893 -0.125 -7.404 679 HB3 ASN 90 HB3 ASN 90 2.527 1.184 -8.396 680 HD21 ASN 90 HD22 ASN 90 1.612 1.427 -10.429 681 HD22 ASN 90 HD21 ASN 90 0.405 0.291 -11.025 682 H GLN 91 H GLN 91 3.909 -2.059 -10.705 683 HA GLN 91 HA GLN 91 5.114 0.037 -12.364 684 HB2 GLN 91 HB2 GLN 91 6.899 -1.184 -10.898 685 HB3 GLN 91 HB3 GLN 91 6.545 -2.609 -11.863 686 HG2 GLN 91 HG2 GLN 91 8.524 -1.520 -12.726 687 HG3 GLN 91 HG3 GLN 91 7.240 -1.321 -13.917 688 HE21 GLN 91 HE22 GLN 91 6.696 0.822 -14.525 689 HE22 GLN 91 HE21 GLN 91 7.274 2.224 -13.659 690 H ASN 92 H ASN 92 4.588 -0.286 -14.524 691 HA ASN 92 HA ASN 92 4.373 -1.326 -16.480 692 HB2 ASN 92 HB2 ASN 92 5.179 -3.501 -15.568 693 HB3 ASN 92 HB3 ASN 92 3.492 -3.932 -15.264 694 HD21 ASN 92 HD22 ASN 92 2.169 -4.555 -17.040 695 HD22 ASN 92 HD21 ASN 92 2.797 -4.595 -18.669 696 H GLY 93 H GLY 93 1.790 -0.999 -14.152 697 HA2 GLY 93 HA2 GLY 93 0.270 0.253 -16.269 698 HA3 GLY 93 HA3 GLY 93 -0.439 -1.284 -15.794 699 H SER 94 H SER 94 -1.769 1.199 -15.572 700 HA SER 94 HA SER 94 -1.635 2.131 -12.795 701 HB2 SER 94 HB2 SER 94 -3.478 2.932 -15.070 702 HB3 SER 94 HB3 SER 94 -3.443 3.675 -13.460 703 HG SER 94 HG SER 94 -2.188 4.906 -14.707 704 H LEU 95 H LEU 95 -2.927 1.629 -11.147 705 HA LEU 95 HA LEU 95 -5.344 -0.109 -11.544 706 HB2 LEU 95 HB2 LEU 95 -3.340 -0.077 -9.273 707 HB3 LEU 95 HB3 LEU 95 -4.680 -1.185 -9.436 708 HG LEU 95 HG LEU 95 -2.173 -1.104 -11.164 709 HD11 LEU 95 HD11 LEU 95 -1.617 -3.180 -9.906 710 HD12 LEU 95 HD12 LEU 95 -1.740 -1.779 -8.834 711 HD13 LEU 95 HD13 LEU 95 -3.062 -2.954 -8.908 712 HD21 LEU 95 HD21 LEU 95 -4.057 -2.011 -12.391 713 HD22 LEU 95 HD22 LEU 95 -3.015 -3.354 -11.863 714 HD23 LEU 95 HD23 LEU 95 -4.532 -3.034 -11.018 715 H LEU 96 H LEU 96 -6.883 -0.094 -9.791 716 HA LEU 96 HA LEU 96 -6.783 2.280 -7.989 717 HB2 LEU 96 HB2 LEU 96 -9.285 1.071 -9.213 718 HB3 LEU 96 HB3 LEU 96 -9.263 2.132 -7.828 719 HG LEU 96 HG LEU 96 -8.271 3.962 -9.189 720 HD11 LEU 96 HD11 LEU 96 -8.652 3.723 -11.738 721 HD12 LEU 96 HD12 LEU 96 -7.210 2.964 -11.074 722 HD13 LEU 96 HD13 LEU 96 -8.635 1.982 -11.462 723 HD21 LEU 96 HD21 LEU 96 -10.701 3.754 -8.773 724 HD22 LEU 96 HD22 LEU 96 -10.377 4.485 -10.348 725 HD23 LEU 96 HD23 LEU 96 -10.874 2.782 -10.249 726 H ILE 97 H ILE 97 -6.814 1.872 -5.895 727 HA ILE 97 HA ILE 97 -7.268 -0.941 -4.970 728 HB ILE 97 HB ILE 97 -5.581 1.048 -3.447 729 HG12 ILE 97 HG12 ILE 97 -3.604 -0.322 -4.590 730 HG13 ILE 97 HG13 ILE 97 -4.719 -0.403 -5.949 731 HG21 ILE 97 HG21 ILE 97 -5.405 -1.974 -3.682 732 HG22 ILE 97 HG22 ILE 97 -4.522 -0.931 -2.554 733 HG23 ILE 97 HG23 ILE 97 -6.269 -1.109 -2.389 734 HD11 ILE 97 HD11 ILE 97 -3.181 1.513 -6.096 735 HD12 ILE 97 HD12 ILE 97 -4.829 2.124 -5.934 736 HD13 ILE 97 HD13 ILE 97 -3.728 2.127 -4.536 737 H CYS 98 H CYS 98 -8.751 -1.337 -3.361 738 HA CYS 98 HA CYS 98 -10.046 0.985 -2.034 739 HB2 CYS 98 HB2 CYS 98 -11.659 -0.606 -1.162 740 HB3 CYS 98 HB3 CYS 98 -11.562 -0.708 -2.920 741 HG CYS 98 HG CYS 98 -9.896 -2.595 -0.809 742 H ALA 99 H ALA 99 -9.108 1.793 -0.295 743 HA ALA 99 HA ALA 99 -7.238 0.240 1.351 744 HB1 ALA 99 HB1 ALA 99 -7.056 2.381 2.590 745 HB2 ALA 99 HB2 ALA 99 -6.784 2.603 0.847 746 HB3 ALA 99 HB3 ALA 99 -8.334 3.079 1.579 747 H THR 100 H THR 100 -8.023 -1.159 2.811 748 HA THR 100 HA THR 100 -10.612 -0.608 4.207 749 HB THR 100 HB THR 100 -10.684 -3.137 4.410 750 HG1 THR 100 HG1 THR 100 -9.309 -4.314 3.216 751 HG21 THR 100 HG21 THR 100 -11.390 -3.536 2.106 752 HG22 THR 100 HG22 THR 100 -11.962 -1.947 2.644 753 HG23 THR 100 HG23 THR 100 -10.562 -2.067 1.556 754 H HIS 101 H HIS 101 -7.568 -0.087 5.002 755 HA HIS 101 HA HIS 101 -7.936 -0.830 7.841 756 HB2 HIS 101 HB2 HIS 101 -5.432 -1.299 6.172 757 HB3 HIS 101 HB3 HIS 101 -5.637 -1.691 7.871 758 HD1 HIS 101 HD1 HIS 101 -5.982 -3.213 4.514 759 HD2 HIS 101 HD2 HIS 101 -7.820 -3.618 8.269 760 HE1 HIS 101 HE1 HIS 101 -7.189 -5.467 4.490 761 H VAL 102 H VAL 102 -7.022 0.632 9.279 762 HA VAL 102 HA VAL 102 -5.682 3.062 8.167 763 HB VAL 102 HB VAL 102 -8.004 3.105 9.327 764 HG11 VAL 102 HG11 VAL 102 -7.260 1.865 11.407 765 HG12 VAL 102 HG12 VAL 102 -6.343 3.313 11.869 766 HG13 VAL 102 HG13 VAL 102 -8.098 3.398 11.683 767 HG21 VAL 102 HG21 VAL 102 -7.699 5.341 10.082 768 HG22 VAL 102 HG22 VAL 102 -5.953 5.143 10.235 769 HG23 VAL 102 HG23 VAL 102 -6.709 5.095 8.632 770 H GLY 103 H GLY 103 -4.467 4.177 10.527 771 HA2 GLY 103 HA2 GLY 103 -1.964 2.896 10.279 772 HA3 GLY 103 HA3 GLY 103 -2.418 4.176 11.399 773 H ALA 104 H ALA 104 -4.533 2.298 12.609 774 HA ALA 104 HA ALA 104 -2.928 0.916 14.565 775 HB1 ALA 104 HB1 ALA 104 -5.118 1.864 15.082 776 HB2 ALA 104 HB2 ALA 104 -5.903 0.762 13.926 777 HB3 ALA 104 HB3 ALA 104 -5.103 0.117 15.375 778 H ASP 105 H ASP 105 -5.101 -0.327 11.983 779 HA ASP 105 HA ASP 105 -4.306 -3.069 12.351 780 HB2 ASP 105 HB2 ASP 105 -6.545 -2.380 11.635 781 HB3 ASP 105 HB3 ASP 105 -5.888 -1.767 10.119 782 H THR 106 H THR 106 -2.962 -0.546 10.311 783 HA THR 106 HA THR 106 -2.434 -1.988 7.943 784 HB THR 106 HB THR 106 -2.366 0.427 8.006 785 HG1 THR 106 HG1 THR 106 -0.378 0.627 6.796 786 HG21 THR 106 HG21 THR 106 -1.035 0.658 10.178 787 HG22 THR 106 HG22 THR 106 0.412 0.278 9.223 788 HG23 THR 106 HG23 THR 106 -0.549 1.713 8.841 789 H THR 107 H THR 107 -1.080 -3.493 7.362 790 HA THR 107 HA THR 107 0.225 -5.016 9.227 791 HB THR 107 HB THR 107 -0.438 -5.856 7.070 792 HG1 THR 107 HG1 THR 107 1.457 -7.145 6.721 793 HG21 THR 107 HG21 THR 107 0.774 -5.631 5.067 794 HG22 THR 107 HG22 THR 107 0.581 -3.969 5.649 795 HG23 THR 107 HG23 THR 107 2.134 -4.824 5.861 796 H LEU 108 H LEU 108 1.847 -2.379 7.465 797 HA LEU 108 HA LEU 108 4.534 -2.975 8.230 798 HB2 LEU 108 HB2 LEU 108 3.082 -0.348 7.655 799 HB3 LEU 108 HB3 LEU 108 4.791 -0.410 8.050 800 HG LEU 108 HG LEU 108 5.279 -1.742 6.055 801 HD11 LEU 108 HD11 LEU 108 2.295 -1.508 5.517 802 HD12 LEU 108 HD12 LEU 108 3.516 -1.919 4.279 803 HD13 LEU 108 HD13 LEU 108 3.291 -2.984 5.647 804 HD21 LEU 108 HD21 LEU 108 5.388 0.680 5.994 805 HD22 LEU 108 HD22 LEU 108 4.825 0.061 4.432 806 HD23 LEU 108 HD23 LEU 108 3.661 0.775 5.583 807 H SER 109 H SER 109 2.098 -0.929 9.836 808 HA SER 109 HA SER 109 3.761 -0.267 12.125 809 HB2 SER 109 HB2 SER 109 0.758 -0.020 11.726 810 HB3 SER 109 HB3 SER 109 1.723 0.719 13.018 811 HG SER 109 HG SER 109 1.525 2.256 11.544 812 H GLN 110 H GLN 110 1.663 -2.901 11.262 813 HA GLN 110 HA GLN 110 1.205 -3.889 13.963 814 HB2 GLN 110 HB2 GLN 110 -0.144 -4.254 11.709 815 HB3 GLN 110 HB3 GLN 110 0.966 -5.594 11.486 816 HG2 GLN 110 HG2 GLN 110 -0.901 -6.509 12.562 817 HG3 GLN 110 HG3 GLN 110 0.303 -6.366 13.850 818 HE21 GLN 110 HE22 GLN 110 -2.307 -4.400 12.299 819 HE22 GLN 110 HE21 GLN 110 -2.719 -3.572 13.770 820 H ILE 111 H ILE 111 3.374 -4.832 11.290 821 HA ILE 111 HA ILE 111 4.793 -6.939 12.486 822 HB ILE 111 HB ILE 111 5.648 -4.818 10.482 823 HG12 ILE 111 HG12 ILE 111 5.144 -7.789 10.026 824 HG13 ILE 111 HG13 ILE 111 3.839 -6.620 9.983 825 HG21 ILE 111 HG21 ILE 111 7.212 -7.309 11.308 826 HG22 ILE 111 HG22 ILE 111 7.581 -6.299 9.900 827 HG23 ILE 111 HG23 ILE 111 7.736 -5.621 11.511 828 HD11 ILE 111 HD11 ILE 111 5.006 -5.366 8.165 829 HD12 ILE 111 HD12 ILE 111 6.246 -6.645 8.122 830 HD13 ILE 111 HD13 ILE 111 4.563 -7.026 7.727 831 H VAL 112 H VAL 112 5.705 -3.419 12.635 832 HA VAL 112 HA VAL 112 7.880 -3.921 14.378 833 HB VAL 112 HB VAL 112 7.979 -1.557 14.834 834 HG11 VAL 112 HG11 VAL 112 7.308 -2.078 11.916 835 HG12 VAL 112 HG12 VAL 112 8.360 -0.802 12.567 836 HG13 VAL 112 HG13 VAL 112 8.847 -2.501 12.696 837 HG21 VAL 112 HG21 VAL 112 6.455 0.057 13.833 838 HG22 VAL 112 HG22 VAL 112 5.400 -1.255 13.263 839 HG23 VAL 112 HG23 VAL 112 5.592 -0.949 15.007 840 H LYS 113 H LYS 113 4.578 -3.908 15.225 841 HA LYS 113 HA LYS 113 5.063 -3.494 18.119 842 HB2 LYS 113 HB2 LYS 113 2.635 -4.556 16.598 843 HB3 LYS 113 HB3 LYS 113 2.738 -4.455 18.355 844 HG2 LYS 113 HG2 LYS 113 3.082 -2.041 18.245 845 HG3 LYS 113 HG3 LYS 113 3.070 -2.080 16.496 846 HD2 LYS 113 HD2 LYS 113 0.950 -1.307 17.074 847 HD3 LYS 113 HD3 LYS 113 0.681 -2.996 16.613 848 HE2 LYS 113 HE2 LYS 113 0.548 -3.664 18.933 849 HE3 LYS 113 HE3 LYS 113 1.213 -2.113 19.462 850 HZ1 LYS 113 HZ1 LYS 113 -1.188 -2.164 19.793 851 HZ2 LYS 113 HZ2 LYS 113 -0.822 -1.030 18.658 852 HZ3 LYS 113 HZ3 LYS 113 -1.446 -2.448 18.189 853 H LEU 114 H LEU 114 4.867 -6.210 15.835 854 HA LEU 114 HA LEU 114 4.752 -8.252 17.891 855 HB2 LEU 114 HB2 LEU 114 3.991 -8.117 15.261 856 HB3 LEU 114 HB3 LEU 114 5.523 -8.954 15.080 857 HG LEU 114 HG LEU 114 3.142 -9.828 16.756 858 HD11 LEU 114 HD11 LEU 114 4.412 -10.996 14.243 859 HD12 LEU 114 HD12 LEU 114 3.019 -11.665 15.122 860 HD13 LEU 114 HD13 LEU 114 2.887 -10.102 14.307 861 HD21 LEU 114 HD21 LEU 114 5.822 -11.169 16.267 862 HD22 LEU 114 HD22 LEU 114 5.201 -10.608 17.839 863 HD23 LEU 114 HD23 LEU 114 4.419 -11.965 17.017 864 H VAL 115 H VAL 115 7.239 -7.257 15.491 865 HA VAL 115 HA VAL 115 9.219 -9.144 16.315 866 HB VAL 115 HB VAL 115 9.469 -6.528 14.777 867 HG11 VAL 115 HG11 VAL 115 11.466 -8.822 14.998 868 HG12 VAL 115 HG12 VAL 115 11.549 -7.512 13.801 869 HG13 VAL 115 HG13 VAL 115 11.721 -7.137 15.512 870 HG21 VAL 115 HG21 VAL 115 7.980 -8.201 13.697 871 HG22 VAL 115 HG22 VAL 115 9.481 -8.009 12.790 872 HG23 VAL 115 HG23 VAL 115 9.257 -9.425 13.837 873 H GLU 116 H GLU 116 8.311 -6.191 17.806 874 HA GLU 116 HA GLU 116 10.826 -5.554 19.170 875 HB2 GLU 116 HB2 GLU 116 8.975 -3.951 18.518 876 HB3 GLU 116 HB3 GLU 116 7.942 -4.734 19.703 877 HG2 GLU 116 HG2 GLU 116 9.488 -4.023 21.511 878 HG3 GLU 116 HG3 GLU 116 10.560 -3.291 20.298 879 H GLU 117 H GLU 117 8.083 -7.758 19.745 880 HA GLU 117 HA GLU 117 8.580 -7.825 22.645 881 HB2 GLU 117 HB2 GLU 117 6.517 -9.318 21.004 882 HB3 GLU 117 HB3 GLU 117 6.690 -9.326 22.775 883 HG2 GLU 117 HG2 GLU 117 6.546 -6.711 22.568 884 HG3 GLU 117 HG3 GLU 117 5.878 -7.028 20.976 885 H ALA 118 H ALA 118 10.018 -9.291 19.944 886 HA ALA 118 HA ALA 118 10.583 -11.855 21.266 887 HB1 ALA 118 HB1 ALA 118 12.161 -12.110 19.325 888 HB2 ALA 118 HB2 ALA 118 10.462 -11.893 18.886 889 HB3 ALA 118 HB3 ALA 118 11.585 -10.536 18.721 890 H GLN 119 H GLN 119 12.864 -9.356 20.145 891 HA GLN 119 HA GLN 119 14.893 -9.761 21.793 892 HB2 GLN 119 HB2 GLN 119 13.968 -7.100 20.658 893 HB3 GLN 119 HB3 GLN 119 15.515 -7.316 21.447 894 HG2 GLN 119 HG2 GLN 119 15.956 -7.511 19.140 895 HG3 GLN 119 HG3 GLN 119 16.062 -9.167 19.799 896 HE21 GLN 119 HE22 GLN 119 13.979 -6.837 18.129 897 HE22 GLN 119 HE21 GLN 119 12.766 -8.042 17.740 Start of MODEL 17 1 H SER 1 H SER 1 18.350 -2.433 15.765 2 HA SER 1 HA SER 1 15.509 -1.845 15.664 3 HB2 SER 1 HB2 SER 1 17.857 -0.109 16.508 4 HB3 SER 1 HB3 SER 1 16.141 0.214 16.809 5 HG SER 1 HG SER 1 17.089 -0.714 18.622 6 H GLU 2 H GLU 2 18.281 -1.136 13.590 7 HA GLU 2 HA GLU 2 16.908 1.084 12.203 8 HB2 GLU 2 HB2 GLU 2 19.476 -0.434 11.636 9 HB3 GLU 2 HB3 GLU 2 18.887 0.901 10.650 10 HG2 GLU 2 HG2 GLU 2 19.404 1.248 13.632 11 HG3 GLU 2 HG3 GLU 2 20.682 1.378 12.434 12 H ALA 3 H ALA 3 17.026 -2.407 11.898 13 HA ALA 3 HA ALA 3 15.927 -2.404 9.145 14 HB1 ALA 3 HB1 ALA 3 16.257 -4.633 11.200 15 HB2 ALA 3 HB2 ALA 3 15.667 -4.824 9.534 16 HB3 ALA 3 HB3 ALA 3 17.328 -4.283 9.819 17 H LEU 4 H LEU 4 14.901 -2.566 12.535 18 HA LEU 4 HA LEU 4 12.085 -2.953 12.124 19 HB2 LEU 4 HB2 LEU 4 13.470 -3.228 14.271 20 HB3 LEU 4 HB3 LEU 4 13.545 -1.479 14.348 21 HG LEU 4 HG LEU 4 10.970 -1.484 14.407 22 HD11 LEU 4 HD11 LEU 4 11.566 -4.396 15.069 23 HD12 LEU 4 HD12 LEU 4 10.007 -3.586 15.306 24 HD13 LEU 4 HD13 LEU 4 10.638 -3.819 13.663 25 HD21 LEU 4 HD21 LEU 4 12.413 -1.020 16.367 26 HD22 LEU 4 HD22 LEU 4 10.949 -1.900 16.807 27 HD23 LEU 4 HD23 LEU 4 12.503 -2.761 16.708 28 H ALA 5 H ALA 5 14.149 -0.060 11.660 29 HA ALA 5 HA ALA 5 11.921 1.831 11.801 30 HB1 ALA 5 HB1 ALA 5 14.861 2.106 11.023 31 HB2 ALA 5 HB2 ALA 5 13.699 3.431 11.194 32 HB3 ALA 5 HB3 ALA 5 14.157 2.478 12.612 33 H LYS 6 H LYS 6 13.529 -0.278 9.459 34 HA LYS 6 HA LYS 6 13.300 1.430 7.165 35 HB2 LYS 6 HB2 LYS 6 14.949 -0.405 7.524 36 HB3 LYS 6 HB3 LYS 6 13.656 -1.590 7.278 37 HG2 LYS 6 HG2 LYS 6 13.307 -0.824 5.001 38 HG3 LYS 6 HG3 LYS 6 14.406 0.553 5.236 39 HD2 LYS 6 HD2 LYS 6 16.300 -0.983 5.552 40 HD3 LYS 6 HD3 LYS 6 15.217 -2.385 5.380 41 HE2 LYS 6 HE2 LYS 6 14.645 -1.646 3.082 42 HE3 LYS 6 HE3 LYS 6 15.689 -0.232 3.277 43 HZ1 LYS 6 HZ1 LYS 6 17.592 -1.718 3.504 44 HZ2 LYS 6 HZ2 LYS 6 16.666 -3.052 3.366 45 HZ3 LYS 6 HZ3 LYS 6 16.816 -2.015 2.095 46 H LEU 7 H LEU 7 11.271 -1.225 8.358 47 HA LEU 7 HA LEU 7 9.292 -1.389 6.364 48 HB2 LEU 7 HB2 LEU 7 9.270 -1.637 9.384 49 HB3 LEU 7 HB3 LEU 7 7.749 -1.712 8.522 50 HG LEU 7 HG LEU 7 8.688 -3.916 9.116 51 HD11 LEU 7 HD11 LEU 7 7.055 -3.722 7.333 52 HD12 LEU 7 HD12 LEU 7 8.340 -3.443 6.133 53 HD13 LEU 7 HD13 LEU 7 8.217 -5.003 6.971 54 HD21 LEU 7 HD21 LEU 7 11.089 -3.477 8.732 55 HD22 LEU 7 HD22 LEU 7 10.509 -4.908 7.867 56 HD23 LEU 7 HD23 LEU 7 10.784 -3.404 6.977 57 H ILE 8 H ILE 8 9.472 1.018 9.004 58 HA ILE 8 HA ILE 8 7.089 2.455 8.161 59 HB ILE 8 HB ILE 8 9.311 3.145 10.089 60 HG12 ILE 8 HG12 ILE 8 8.041 1.191 10.791 61 HG13 ILE 8 HG13 ILE 8 7.774 2.558 11.857 62 HG21 ILE 8 HG21 ILE 8 6.696 4.603 9.571 63 HG22 ILE 8 HG22 ILE 8 7.718 4.831 11.014 64 HG23 ILE 8 HG23 ILE 8 8.350 5.236 9.412 65 HD11 ILE 8 HD11 ILE 8 5.707 1.316 11.503 66 HD12 ILE 8 HD12 ILE 8 5.547 2.934 10.808 67 HD13 ILE 8 HD13 ILE 8 5.822 1.525 9.750 68 H SER 9 H SER 9 10.558 2.738 7.428 69 HA SER 9 HA SER 9 10.358 5.366 6.191 70 HB2 SER 9 HB2 SER 9 12.512 3.226 6.053 71 HB3 SER 9 HB3 SER 9 12.642 4.845 5.353 72 HG SER 9 HG SER 9 13.538 4.553 7.524 73 H LEU 10 H LEU 10 9.896 2.057 5.014 74 HA LEU 10 HA LEU 10 9.809 2.673 2.223 75 HB2 LEU 10 HB2 LEU 10 8.754 0.459 3.974 76 HB3 LEU 10 HB3 LEU 10 8.017 0.663 2.402 77 HG LEU 10 HG LEU 10 10.325 0.566 1.349 78 HD11 LEU 10 HD11 LEU 10 11.045 -0.618 4.059 79 HD12 LEU 10 HD12 LEU 10 12.067 -0.610 2.607 80 HD13 LEU 10 HD13 LEU 10 11.681 0.915 3.411 81 HD21 LEU 10 HD21 LEU 10 9.213 -1.827 2.863 82 HD22 LEU 10 HD22 LEU 10 8.747 -1.292 1.241 83 HD23 LEU 10 HD23 LEU 10 10.374 -1.914 1.506 84 H GLN 11 H GLN 11 7.499 3.655 4.665 85 HA GLN 11 HA GLN 11 5.145 3.569 3.008 86 HB2 GLN 11 HB2 GLN 11 5.707 5.043 5.618 87 HB3 GLN 11 HB3 GLN 11 4.144 4.909 4.849 88 HG2 GLN 11 HG2 GLN 11 4.304 2.419 4.987 89 HG3 GLN 11 HG3 GLN 11 5.793 2.589 5.928 90 HE21 GLN 11 HE22 GLN 11 2.287 3.402 5.916 91 HE22 GLN 11 HE21 GLN 11 2.206 3.608 7.653 92 H ALA 12 H ALA 12 3.728 5.606 2.754 93 HA ALA 12 HA ALA 12 5.355 7.617 1.233 94 HB1 ALA 12 HB1 ALA 12 3.432 7.734 -0.281 95 HB2 ALA 12 HB2 ALA 12 4.047 6.075 -0.154 96 HB3 ALA 12 HB3 ALA 12 2.563 6.542 0.710 97 H THR 13 H THR 13 2.754 7.344 3.623 98 HA THR 13 HA THR 13 1.934 8.829 5.112 99 HB THR 13 HB THR 13 3.812 11.009 4.232 100 HG1 THR 13 HG1 THR 13 4.452 8.842 5.965 101 HG21 THR 13 HG21 THR 13 2.783 10.091 6.957 102 HG22 THR 13 HG22 THR 13 3.951 11.408 6.683 103 HG23 THR 13 HG23 THR 13 2.297 11.556 6.085 104 H GLU 14 H GLU 14 1.805 9.628 1.803 105 HA GLU 14 HA GLU 14 -0.632 11.294 2.252 106 HB2 GLU 14 HB2 GLU 14 -0.066 12.617 0.345 107 HB3 GLU 14 HB3 GLU 14 1.305 12.643 1.471 108 HG2 GLU 14 HG2 GLU 14 2.533 11.051 0.062 109 HG3 GLU 14 HG3 GLU 14 1.123 10.833 -0.983 110 H ALA 15 H ALA 15 -2.265 11.172 0.563 111 HA ALA 15 HA ALA 15 -2.123 8.791 -1.215 112 HB1 ALA 15 HB1 ALA 15 -3.139 8.068 0.924 113 HB2 ALA 15 HB2 ALA 15 -4.351 9.363 0.774 114 HB3 ALA 15 HB3 ALA 15 -4.317 8.030 -0.402 115 H THR 16 H THR 16 -3.698 8.736 -2.856 116 HA THR 16 HA THR 16 -5.098 11.310 -3.519 117 HB THR 16 HB THR 16 -3.935 9.316 -5.492 118 HG1 THR 16 HG1 THR 16 -2.591 11.281 -5.864 119 HG21 THR 16 HG21 THR 16 -4.342 11.143 -7.127 120 HG22 THR 16 HG22 THR 16 -5.857 10.572 -6.418 121 HG23 THR 16 HG23 THR 16 -5.145 12.102 -5.860 122 H ILE 17 H ILE 17 -7.163 10.994 -2.936 123 HA ILE 17 HA ILE 17 -8.485 8.359 -3.180 124 HB ILE 17 HB ILE 17 -9.790 10.920 -2.214 125 HG12 ILE 17 HG12 ILE 17 -8.061 9.115 -0.477 126 HG13 ILE 17 HG13 ILE 17 -7.770 10.802 -0.863 127 HG21 ILE 17 HG21 ILE 17 -10.262 7.966 -1.613 128 HG22 ILE 17 HG22 ILE 17 -11.190 9.308 -0.912 129 HG23 ILE 17 HG23 ILE 17 -11.281 9.019 -2.620 130 HD11 ILE 17 HD11 ILE 17 -9.925 11.395 0.307 131 HD12 ILE 17 HD12 ILE 17 -10.000 9.703 0.878 132 HD13 ILE 17 HD13 ILE 17 -8.653 10.725 1.341 133 H VAL 18 H VAL 18 -10.279 7.949 -4.515 134 HA VAL 18 HA VAL 18 -11.118 10.127 -6.406 135 HB VAL 18 HB VAL 18 -12.227 8.108 -7.629 136 HG11 VAL 18 HG11 VAL 18 -9.372 9.006 -7.920 137 HG12 VAL 18 HG12 VAL 18 -10.201 7.939 -9.087 138 HG13 VAL 18 HG13 VAL 18 -10.855 9.531 -8.772 139 HG21 VAL 18 HG21 VAL 18 -11.376 6.343 -6.047 140 HG22 VAL 18 HG22 VAL 18 -10.878 6.108 -7.737 141 HG23 VAL 18 HG23 VAL 18 -9.720 6.762 -6.564 142 H THR 19 H THR 19 -12.994 10.971 -6.177 143 HA THR 19 HA THR 19 -15.080 9.680 -4.442 144 HB THR 19 HB THR 19 -14.224 12.605 -4.474 145 HG1 THR 19 HG1 THR 19 -13.253 12.287 -2.607 146 HG21 THR 19 HG21 THR 19 -16.180 11.032 -2.754 147 HG22 THR 19 HG22 THR 19 -15.539 12.615 -2.286 148 HG23 THR 19 HG23 THR 19 -16.514 12.465 -3.754 149 H LEU 20 H LEU 20 -17.250 9.915 -5.113 150 HA LEU 20 HA LEU 20 -17.750 11.506 -7.571 151 HB2 LEU 20 HB2 LEU 20 -19.548 9.623 -5.989 152 HB3 LEU 20 HB3 LEU 20 -20.071 10.598 -7.349 153 HG LEU 20 HG LEU 20 -17.909 8.451 -7.492 154 HD11 LEU 20 HD11 LEU 20 -20.805 8.460 -8.455 155 HD12 LEU 20 HD12 LEU 20 -19.605 7.187 -8.766 156 HD13 LEU 20 HD13 LEU 20 -20.135 7.504 -7.114 157 HD21 LEU 20 HD21 LEU 20 -17.506 10.100 -9.204 158 HD22 LEU 20 HD22 LEU 20 -18.273 8.720 -9.978 159 HD23 LEU 20 HD23 LEU 20 -19.225 10.191 -9.624 160 H ASP 21 H ASP 21 -18.096 13.520 -7.390 161 HA ASP 21 HA ASP 21 -19.319 14.723 -4.920 162 HB2 ASP 21 HB2 ASP 21 -17.607 15.862 -7.137 163 HB3 ASP 21 HB3 ASP 21 -18.616 16.894 -6.128 164 H SER 22 H SER 22 -20.100 13.596 -7.841 165 HA SER 22 HA SER 22 -22.811 14.317 -7.575 166 HB2 SER 22 HB2 SER 22 -21.788 15.461 -10.156 167 HB3 SER 22 HB3 SER 22 -23.459 15.363 -9.610 168 HG SER 22 HG SER 22 -21.957 16.492 -7.687 169 H ASP 23 H ASP 23 -24.109 12.850 -8.468 170 HA ASP 23 HA ASP 23 -23.492 10.343 -8.570 171 HB2 ASP 23 HB2 ASP 23 -25.707 11.385 -8.326 172 HB3 ASP 23 HB3 ASP 23 -25.816 11.567 -10.073 173 H ASN 24 H ASN 24 -21.523 10.538 -9.995 174 HA ASN 24 HA ASN 24 -20.245 9.380 -11.477 175 HB2 ASN 24 HB2 ASN 24 -22.752 8.174 -12.741 176 HB3 ASN 24 HB3 ASN 24 -21.102 7.684 -13.021 177 HD21 ASN 24 HD22 ASN 24 -23.476 7.769 -10.380 178 HD22 ASN 24 HD21 ASN 24 -22.820 6.234 -9.830 179 H ILE 25 H ILE 25 -21.383 11.925 -11.634 180 HA ILE 25 HA ILE 25 -21.069 12.626 -14.525 181 HB ILE 25 HB ILE 25 -22.778 14.376 -14.321 182 HG12 ILE 25 HG12 ILE 25 -23.488 13.139 -11.646 183 HG13 ILE 25 HG13 ILE 25 -22.720 14.714 -11.911 184 HG21 ILE 25 HG21 ILE 25 -23.861 11.590 -13.681 185 HG22 ILE 25 HG22 ILE 25 -24.694 12.876 -14.576 186 HG23 ILE 25 HG23 ILE 25 -23.268 12.115 -15.268 187 HD11 ILE 25 HD11 ILE 25 -24.745 15.455 -13.170 188 HD12 ILE 25 HD12 ILE 25 -25.536 13.922 -12.720 189 HD13 ILE 25 HD13 ILE 25 -25.054 15.069 -11.465 190 H LEU 26 H LEU 26 -20.251 13.259 -11.251 191 HA LEU 26 HA LEU 26 -18.093 15.059 -12.177 192 HB2 LEU 26 HB2 LEU 26 -19.909 16.447 -11.132 193 HB3 LEU 26 HB3 LEU 26 -19.754 15.457 -9.686 194 HG LEU 26 HG LEU 26 -17.411 16.251 -9.379 195 HD11 LEU 26 HD11 LEU 26 -18.254 18.105 -11.613 196 HD12 LEU 26 HD12 LEU 26 -16.805 18.323 -10.602 197 HD13 LEU 26 HD13 LEU 26 -16.928 16.916 -11.678 198 HD21 LEU 26 HD21 LEU 26 -19.438 17.313 -8.264 199 HD22 LEU 26 HD22 LEU 26 -18.068 18.413 -8.498 200 HD23 LEU 26 HD23 LEU 26 -19.474 18.489 -9.576 201 H LEU 27 H LEU 27 -17.015 13.056 -12.253 202 HA LEU 27 HA LEU 27 -16.223 11.825 -9.658 203 HB2 LEU 27 HB2 LEU 27 -16.691 10.503 -11.772 204 HB3 LEU 27 HB3 LEU 27 -15.198 11.138 -12.438 205 HG LEU 27 HG LEU 27 -15.346 9.564 -9.819 206 HD11 LEU 27 HD11 LEU 27 -14.761 8.575 -12.636 207 HD12 LEU 27 HD12 LEU 27 -14.653 7.605 -11.147 208 HD13 LEU 27 HD13 LEU 27 -16.223 8.214 -11.691 209 HD21 LEU 27 HD21 LEU 27 -13.217 10.758 -10.018 210 HD22 LEU 27 HD22 LEU 27 -12.956 9.047 -10.327 211 HD23 LEU 27 HD23 LEU 27 -13.021 10.183 -11.689 212 H SER 28 H SER 28 -14.542 12.536 -8.514 213 HA SER 28 HA SER 28 -12.596 14.433 -9.735 214 HB2 SER 28 HB2 SER 28 -14.663 15.580 -8.790 215 HB3 SER 28 HB3 SER 28 -14.165 14.993 -7.194 216 HG SER 28 HG SER 28 -13.480 17.151 -7.807 217 H GLU 29 H GLU 29 -10.671 14.746 -8.461 218 HA GLU 29 HA GLU 29 -10.088 12.381 -6.733 219 HB2 GLU 29 HB2 GLU 29 -8.061 13.640 -8.575 220 HB3 GLU 29 HB3 GLU 29 -8.049 12.048 -7.768 221 HG2 GLU 29 HG2 GLU 29 -9.909 11.314 -9.160 222 HG3 GLU 29 HG3 GLU 29 -9.937 12.856 -10.016 223 H GLU 30 H GLU 30 -8.944 12.683 -4.871 224 HA GLU 30 HA GLU 30 -8.419 15.518 -4.030 225 HB2 GLU 30 HB2 GLU 30 -9.481 13.303 -2.238 226 HB3 GLU 30 HB3 GLU 30 -9.361 15.031 -1.915 227 HG2 GLU 30 HG2 GLU 30 -11.018 15.308 -3.889 228 HG3 GLU 30 HG3 GLU 30 -11.288 13.564 -3.756 229 H GLN 31 H GLN 31 -6.366 15.909 -3.069 230 HA GLN 31 HA GLN 31 -4.812 13.497 -2.273 231 HB2 GLN 31 HB2 GLN 31 -3.932 16.208 -3.239 232 HB3 GLN 31 HB3 GLN 31 -2.917 15.274 -2.154 233 HG2 GLN 31 HG2 GLN 31 -3.794 13.469 -4.229 234 HG3 GLN 31 HG3 GLN 31 -3.251 14.950 -5.006 235 HE21 GLN 31 HE21 GLN 31 -2.164 12.722 -2.332 236 HE22 GLN 31 HE22 GLN 31 -0.450 12.902 -2.721 237 H VAL 32 H VAL 32 -4.466 13.108 -0.280 238 HA VAL 32 HA VAL 32 -4.804 15.198 1.824 239 HB VAL 32 HB VAL 32 -6.237 13.851 3.161 240 HG11 VAL 32 HG11 VAL 32 -8.296 13.738 1.920 241 HG12 VAL 32 HG12 VAL 32 -7.396 15.177 1.408 242 HG13 VAL 32 HG13 VAL 32 -7.441 13.722 0.372 243 HG21 VAL 32 HG21 VAL 32 -5.371 11.583 2.571 244 HG22 VAL 32 HG22 VAL 32 -7.118 11.698 2.571 245 HG23 VAL 32 HG23 VAL 32 -6.228 11.689 1.021 246 H ASP 33 H ASP 33 -4.206 14.436 3.976 247 HA ASP 33 HA ASP 33 -1.708 12.850 3.994 248 HB2 ASP 33 HB2 ASP 33 -3.249 14.175 6.257 249 HB3 ASP 33 HB3 ASP 33 -1.679 13.384 6.391 250 H VAL 34 H VAL 34 -1.495 10.786 4.774 251 HA VAL 34 HA VAL 34 -3.631 9.051 4.235 252 HB VAL 34 HB VAL 34 -1.180 8.586 4.095 253 HG11 VAL 34 HG11 VAL 34 -1.422 7.826 7.039 254 HG12 VAL 34 HG12 VAL 34 -0.033 7.545 5.976 255 HG13 VAL 34 HG13 VAL 34 -0.500 9.199 6.391 256 HG21 VAL 34 HG21 VAL 34 -2.873 6.847 3.707 257 HG22 VAL 34 HG22 VAL 34 -1.374 6.199 4.397 258 HG23 VAL 34 HG23 VAL 34 -2.806 6.396 5.423 259 H GLU 35 H GLU 35 -2.986 10.398 7.417 260 HA GLU 35 HA GLU 35 -4.569 8.564 8.967 261 HB2 GLU 35 HB2 GLU 35 -2.958 10.538 9.642 262 HB3 GLU 35 HB3 GLU 35 -4.380 11.555 9.456 263 HG2 GLU 35 HG2 GLU 35 -4.286 11.075 11.744 264 HG3 GLU 35 HG3 GLU 35 -5.502 9.933 11.171 265 H LEU 36 H LEU 36 -5.500 10.959 6.640 266 HA LEU 36 HA LEU 36 -8.208 11.391 7.696 267 HB2 LEU 36 HB2 LEU 36 -6.873 12.655 5.290 268 HB3 LEU 36 HB3 LEU 36 -8.244 13.254 6.208 269 HG LEU 36 HG LEU 36 -5.359 13.138 7.183 270 HD11 LEU 36 HD11 LEU 36 -7.162 15.489 6.479 271 HD12 LEU 36 HD12 LEU 36 -5.492 15.576 7.081 272 HD13 LEU 36 HD13 LEU 36 -5.823 14.869 5.490 273 HD21 LEU 36 HD21 LEU 36 -7.816 14.285 8.567 274 HD22 LEU 36 HD22 LEU 36 -6.934 12.821 9.070 275 HD23 LEU 36 HD23 LEU 36 -6.129 14.386 9.122 276 H VAL 37 H VAL 37 -6.906 9.192 5.513 277 HA VAL 37 HA VAL 37 -8.816 9.404 3.388 278 HB VAL 37 HB VAL 37 -7.878 7.425 2.452 279 HG11 VAL 37 HG11 VAL 37 -6.553 9.351 2.159 280 HG12 VAL 37 HG12 VAL 37 -5.744 9.134 3.727 281 HG13 VAL 37 HG13 VAL 37 -5.483 7.970 2.413 282 HG21 VAL 37 HG21 VAL 37 -6.113 6.082 3.590 283 HG22 VAL 37 HG22 VAL 37 -6.524 6.890 5.110 284 HG23 VAL 37 HG23 VAL 37 -7.715 5.860 4.279 285 H GLN 38 H GLN 38 -8.748 7.176 6.203 286 HA GLN 38 HA GLN 38 -10.058 5.799 7.108 287 HB2 GLN 38 HB2 GLN 38 -12.310 7.424 5.965 288 HB3 GLN 38 HB3 GLN 38 -12.489 6.137 7.167 289 HG2 GLN 38 HG2 GLN 38 -10.882 7.302 8.674 290 HG3 GLN 38 HG3 GLN 38 -10.745 8.638 7.513 291 HE21 GLN 38 HE22 GLN 38 -13.191 9.284 6.818 292 HE22 GLN 38 HE21 GLN 38 -14.339 9.123 8.109 293 H ARG 39 H ARG 39 -11.163 3.912 7.050 294 HA ARG 39 HA ARG 39 -10.239 2.442 4.690 295 HB2 ARG 39 HB2 ARG 39 -10.273 0.496 5.997 296 HB3 ARG 39 HB3 ARG 39 -9.664 1.812 7.001 297 HG2 ARG 39 HG2 ARG 39 -12.210 1.980 7.744 298 HG3 ARG 39 HG3 ARG 39 -12.311 0.328 7.144 299 HD2 ARG 39 HD2 ARG 39 -10.417 -0.307 8.641 300 HD3 ARG 39 HD3 ARG 39 -10.299 1.375 9.173 301 HE ARG 39 HE ARG 39 -12.628 1.159 10.070 302 HH11 ARG 39 HH11 ARG 39 -10.926 -1.881 9.734 303 HH12 ARG 39 HH12 ARG 39 -11.394 -2.425 11.325 304 HH21 ARG 39 HH21 ARG 39 -13.297 0.369 11.994 305 HH22 ARG 39 HH22 ARG 39 -12.791 -1.215 12.525 306 H GLY 40 H GLY 40 -12.784 3.917 4.374 307 HA2 GLY 40 HA2 GLY 40 -14.265 1.678 3.036 308 HA3 GLY 40 HA3 GLY 40 -15.036 3.131 3.667 309 H ASP 41 H ASP 41 -12.011 3.902 2.275 310 HA ASP 41 HA ASP 41 -13.323 4.855 -0.233 311 HB2 ASP 41 HB2 ASP 41 -11.281 6.037 1.621 312 HB3 ASP 41 HB3 ASP 41 -11.147 6.408 -0.090 313 H ILE 42 H ILE 42 -11.785 5.334 -2.009 314 HA ILE 42 HA ILE 42 -10.052 2.993 -2.632 315 HB ILE 42 HB ILE 42 -12.045 4.382 -4.455 316 HG12 ILE 42 HG12 ILE 42 -11.999 1.500 -3.444 317 HG13 ILE 42 HG13 ILE 42 -13.039 2.760 -2.790 318 HG21 ILE 42 HG21 ILE 42 -10.125 2.078 -5.057 319 HG22 ILE 42 HG22 ILE 42 -11.342 2.737 -6.172 320 HG23 ILE 42 HG23 ILE 42 -9.986 3.735 -5.690 321 HD11 ILE 42 HD11 ILE 42 -14.356 1.452 -4.279 322 HD12 ILE 42 HD12 ILE 42 -14.102 3.039 -5.024 323 HD13 ILE 42 HD13 ILE 42 -13.189 1.616 -5.596 324 H ILE 43 H ILE 43 -8.058 3.491 -3.174 325 HA ILE 43 HA ILE 43 -7.285 6.291 -3.674 326 HB ILE 43 HB ILE 43 -5.710 3.932 -2.577 327 HG12 ILE 43 HG12 ILE 43 -7.474 4.303 -0.978 328 HG13 ILE 43 HG13 ILE 43 -5.949 4.857 -0.328 329 HG21 ILE 43 HG21 ILE 43 -5.117 6.915 -2.582 330 HG22 ILE 43 HG22 ILE 43 -4.180 5.696 -1.694 331 HG23 ILE 43 HG23 ILE 43 -4.245 5.642 -3.454 332 HD11 ILE 43 HD11 ILE 43 -8.130 6.664 -1.465 333 HD12 ILE 43 HD12 ILE 43 -7.783 6.384 0.246 334 HD13 ILE 43 HD13 ILE 43 -6.589 7.213 -0.766 335 H LYS 44 H LYS 44 -6.294 6.824 -5.533 336 HA LYS 44 HA LYS 44 -5.598 4.928 -7.603 337 HB2 LYS 44 HB2 LYS 44 -4.995 7.905 -7.225 338 HB3 LYS 44 HB3 LYS 44 -4.689 7.018 -8.705 339 HG2 LYS 44 HG2 LYS 44 -7.417 7.412 -7.447 340 HG3 LYS 44 HG3 LYS 44 -6.771 8.368 -8.773 341 HD2 LYS 44 HD2 LYS 44 -7.349 5.411 -8.785 342 HD3 LYS 44 HD3 LYS 44 -8.336 6.636 -9.568 343 HE2 LYS 44 HE2 LYS 44 -5.545 5.702 -10.366 344 HE3 LYS 44 HE3 LYS 44 -7.093 5.422 -11.206 345 HZ1 LYS 44 HZ1 LYS 44 -7.224 7.788 -11.634 346 HZ2 LYS 44 HZ2 LYS 44 -5.802 8.086 -10.854 347 HZ3 LYS 44 HZ3 LYS 44 -5.791 7.211 -12.219 348 H VAL 45 H VAL 45 -3.708 3.967 -8.119 349 HA VAL 45 HA VAL 45 -1.220 5.367 -7.288 350 HB VAL 45 HB VAL 45 -1.853 3.135 -6.143 351 HG11 VAL 45 HG11 VAL 45 -0.575 1.973 -8.652 352 HG12 VAL 45 HG12 VAL 45 -1.052 1.108 -7.188 353 HG13 VAL 45 HG13 VAL 45 -2.291 1.850 -8.232 354 HG21 VAL 45 HG21 VAL 45 0.527 2.541 -5.942 355 HG22 VAL 45 HG22 VAL 45 0.917 3.501 -7.383 356 HG23 VAL 45 HG23 VAL 45 0.327 4.300 -5.908 357 H VAL 46 H VAL 46 0.194 5.934 -8.754 358 HA VAL 46 HA VAL 46 -0.212 5.313 -11.594 359 HB VAL 46 HB VAL 46 1.824 6.813 -11.890 360 HG11 VAL 46 HG11 VAL 46 0.621 8.865 -11.496 361 HG12 VAL 46 HG12 VAL 46 -0.483 7.628 -12.124 362 HG13 VAL 46 HG13 VAL 46 -0.500 8.037 -10.399 363 HG21 VAL 46 HG21 VAL 46 1.489 7.452 -8.942 364 HG22 VAL 46 HG22 VAL 46 2.834 6.517 -9.641 365 HG23 VAL 46 HG23 VAL 46 2.593 8.204 -10.107 366 HA PRO 47 HA PRO 47 3.145 2.325 -12.122 367 HB2 PRO 47 HB2 PRO 47 4.432 3.322 -14.371 368 HB3 PRO 47 HB3 PRO 47 2.939 2.329 -14.404 369 HG2 PRO 47 HG2 PRO 47 3.189 5.353 -14.516 370 HG3 PRO 47 HG3 PRO 47 2.198 4.280 -15.556 371 HD2 PRO 47 HD2 PRO 47 1.082 5.568 -13.490 372 HD3 PRO 47 HD3 PRO 47 0.658 3.864 -13.790 373 H GLY 48 H GLY 48 5.021 2.222 -11.073 374 HA2 GLY 48 HA2 GLY 48 7.041 2.779 -10.108 375 HA3 GLY 48 HA3 GLY 48 6.970 4.389 -10.828 376 H GLY 49 H GLY 49 3.997 4.137 -9.411 377 HA2 GLY 49 HA2 GLY 49 4.656 5.727 -7.117 378 HA3 GLY 49 HA3 GLY 49 3.068 5.104 -7.557 379 H LYS 50 H LYS 50 3.622 5.250 -4.977 380 HA LYS 50 HA LYS 50 4.279 2.453 -4.064 381 HB2 LYS 50 HB2 LYS 50 4.695 5.141 -2.707 382 HB3 LYS 50 HB3 LYS 50 4.807 3.587 -1.861 383 HG2 LYS 50 HG2 LYS 50 6.639 2.854 -3.238 384 HG3 LYS 50 HG3 LYS 50 6.505 4.266 -4.301 385 HD2 LYS 50 HD2 LYS 50 7.147 5.771 -2.515 386 HD3 LYS 50 HD3 LYS 50 7.136 4.445 -1.327 387 HE2 LYS 50 HE2 LYS 50 8.978 3.339 -2.459 388 HE3 LYS 50 HE3 LYS 50 8.956 4.530 -3.771 389 HZ1 LYS 50 HZ1 LYS 50 9.677 6.196 -2.299 390 HZ2 LYS 50 HZ2 LYS 50 9.445 5.315 -0.954 391 HZ3 LYS 50 HZ3 LYS 50 10.679 4.938 -2.003 392 H PHE 51 H PHE 51 2.924 1.426 -2.658 393 HA PHE 51 HA PHE 51 0.165 2.413 -2.524 394 HB2 PHE 51 HB2 PHE 51 1.412 -0.070 -1.317 395 HB3 PHE 51 HB3 PHE 51 -0.304 0.302 -1.355 396 HD1 PHE 51 HD2 PHE 51 -1.601 0.114 -3.484 397 HD2 PHE 51 HD1 PHE 51 2.601 -0.785 -3.322 398 HE1 PHE 51 HE2 PHE 51 -1.735 -1.028 -5.697 399 HE2 PHE 51 HE1 PHE 51 2.475 -1.874 -5.523 400 HZ PHE 51 HZ PHE 51 0.295 -1.996 -6.733 401 HA PRO 52 HA PRO 52 1.256 4.353 1.413 402 HB2 PRO 52 HB2 PRO 52 -0.855 6.015 1.772 403 HB3 PRO 52 HB3 PRO 52 0.318 6.243 0.444 404 HG2 PRO 52 HG2 PRO 52 -2.394 4.910 0.300 405 HG3 PRO 52 HG3 PRO 52 -1.711 6.158 -0.788 406 HD2 PRO 52 HD2 PRO 52 -1.616 3.457 -1.348 407 HD3 PRO 52 HD3 PRO 52 -0.361 4.610 -1.885 408 H VAL 53 H VAL 53 -1.222 2.085 1.008 409 HA VAL 53 HA VAL 53 -1.758 1.606 3.833 410 HB VAL 53 HB VAL 53 -4.206 1.596 3.530 411 HG11 VAL 53 HG11 VAL 53 -3.050 4.368 3.061 412 HG12 VAL 53 HG12 VAL 53 -4.579 3.947 3.862 413 HG13 VAL 53 HG13 VAL 53 -3.041 3.513 4.619 414 HG21 VAL 53 HG21 VAL 53 -3.625 3.051 0.920 415 HG22 VAL 53 HG22 VAL 53 -4.424 1.476 1.116 416 HG23 VAL 53 HG23 VAL 53 -5.203 2.957 1.703 417 H ASP 54 H ASP 54 -3.105 -0.486 4.021 418 HA ASP 54 HA ASP 54 -2.476 -2.280 1.727 419 HB2 ASP 54 HB2 ASP 54 -2.322 -4.101 3.207 420 HB3 ASP 54 HB3 ASP 54 -1.286 -2.806 3.796 421 H GLY 55 H GLY 55 -3.923 -3.799 0.954 422 HA2 GLY 55 HA2 GLY 55 -6.573 -4.257 1.616 423 HA3 GLY 55 HA3 GLY 55 -6.600 -2.703 0.784 424 H ARG 56 H ARG 56 -7.855 -3.547 -0.815 425 HA ARG 56 HA ARG 56 -6.710 -5.692 -2.572 426 HB2 ARG 56 HB2 ARG 56 -8.780 -6.108 -1.141 427 HB3 ARG 56 HB3 ARG 56 -9.625 -5.018 -2.236 428 HG2 ARG 56 HG2 ARG 56 -9.128 -6.564 -4.134 429 HG3 ARG 56 HG3 ARG 56 -8.266 -7.623 -3.004 430 HD2 ARG 56 HD2 ARG 56 -10.424 -8.568 -3.254 431 HD3 ARG 56 HD3 ARG 56 -10.387 -7.843 -1.654 432 HE ARG 56 HE ARG 56 -12.006 -7.041 -3.991 433 HH11 ARG 56 HH11 ARG 56 -11.298 -6.209 -0.581 434 HH12 ARG 56 HH12 ARG 56 -12.507 -4.941 -0.669 435 HH21 ARG 56 HH21 ARG 56 -13.630 -5.448 -3.761 436 HH22 ARG 56 HH22 ARG 56 -13.676 -4.582 -2.230 437 H VAL 57 H VAL 57 -6.578 -5.499 -4.707 438 HA VAL 57 HA VAL 57 -6.853 -2.849 -6.018 439 HB VAL 57 HB VAL 57 -5.679 -5.485 -7.026 440 HG11 VAL 57 HG11 VAL 57 -5.531 -2.654 -8.152 441 HG12 VAL 57 HG12 VAL 57 -4.645 -4.066 -8.782 442 HG13 VAL 57 HG13 VAL 57 -6.396 -4.029 -8.874 443 HG21 VAL 57 HG21 VAL 57 -4.292 -4.646 -5.185 444 HG22 VAL 57 HG22 VAL 57 -3.464 -4.471 -6.732 445 HG23 VAL 57 HG23 VAL 57 -4.196 -3.053 -5.961 446 H ILE 58 H ILE 58 -8.637 -2.474 -7.294 447 HA ILE 58 HA ILE 58 -10.138 -4.794 -8.452 448 HB ILE 58 HB ILE 58 -12.290 -3.620 -7.644 449 HG12 ILE 58 HG12 ILE 58 -10.432 -2.573 -5.480 450 HG13 ILE 58 HG13 ILE 58 -10.933 -1.555 -6.846 451 HG21 ILE 58 HG21 ILE 58 -12.302 -4.878 -5.577 452 HG22 ILE 58 HG22 ILE 58 -11.473 -5.813 -6.821 453 HG23 ILE 58 HG23 ILE 58 -10.539 -4.979 -5.554 454 HD11 ILE 58 HD11 ILE 58 -13.318 -1.884 -6.230 455 HD12 ILE 58 HD12 ILE 58 -12.799 -2.771 -4.771 456 HD13 ILE 58 HD13 ILE 58 -12.371 -1.061 -4.978 457 H GLU 59 H GLU 59 -8.409 -2.749 -9.564 458 HA GLU 59 HA GLU 59 -9.784 -2.632 -12.049 459 HB2 GLU 59 HB2 GLU 59 -10.451 -0.419 -10.642 460 HB3 GLU 59 HB3 GLU 59 -8.831 0.064 -11.096 461 HG2 GLU 59 HG2 GLU 59 -10.410 0.990 -12.620 462 HG3 GLU 59 HG3 GLU 59 -9.389 -0.159 -13.473 463 H GLY 60 H GLY 60 -8.123 -3.146 -13.455 464 HA2 GLY 60 HA2 GLY 60 -6.133 -2.815 -14.554 465 HA3 GLY 60 HA3 GLY 60 -5.533 -1.818 -13.230 466 H HIS 61 H HIS 61 -3.719 -3.085 -14.154 467 HA HIS 61 HA HIS 61 -3.088 -5.417 -12.482 468 HB2 HIS 61 HB2 HIS 61 -2.412 -6.856 -14.381 469 HB3 HIS 61 HB3 HIS 61 -4.139 -6.582 -14.260 470 HD1 HIS 61 HD1 HIS 61 -5.319 -5.739 -16.412 471 HD2 HIS 61 HD2 HIS 61 -1.121 -5.457 -16.473 472 HE1 HIS 61 HE1 HIS 61 -4.686 -5.061 -18.784 473 H SER 62 H SER 62 -1.089 -5.484 -11.871 474 HA SER 62 HA SER 62 1.120 -4.406 -13.441 475 HB2 SER 62 HB2 SER 62 0.093 -2.940 -11.030 476 HB3 SER 62 HB3 SER 62 1.821 -2.990 -11.271 477 HG SER 62 HG SER 62 -0.050 -2.377 -13.334 478 H MET 63 H MET 63 3.265 -4.627 -12.318 479 HA MET 63 HA MET 63 3.288 -7.134 -10.697 480 HB2 MET 63 HB2 MET 63 4.096 -7.509 -12.930 481 HB3 MET 63 HB3 MET 63 5.251 -6.170 -12.800 482 HG2 MET 63 HG2 MET 63 6.530 -7.267 -11.185 483 HG3 MET 63 HG3 MET 63 5.270 -8.440 -10.789 484 HE1 MET 63 HE1 MET 63 5.480 -11.140 -13.471 485 HE2 MET 63 HE2 MET 63 4.967 -10.711 -11.823 486 HE3 MET 63 HE3 MET 63 4.270 -9.862 -13.226 487 H VAL 64 H VAL 64 3.674 -6.715 -8.696 488 HA VAL 64 HA VAL 64 4.790 -4.137 -7.839 489 HB VAL 64 HB VAL 64 3.159 -6.320 -6.519 490 HG11 VAL 64 HG11 VAL 64 4.160 -3.820 -5.101 491 HG12 VAL 64 HG12 VAL 64 2.908 -4.918 -4.512 492 HG13 VAL 64 HG13 VAL 64 4.555 -5.508 -4.681 493 HG21 VAL 64 HG21 VAL 64 1.954 -4.793 -8.005 494 HG22 VAL 64 HG22 VAL 64 1.536 -4.396 -6.327 495 HG23 VAL 64 HG23 VAL 64 2.686 -3.390 -7.218 496 H ASP 65 H ASP 65 6.231 -3.916 -6.064 497 HA ASP 65 HA ASP 65 8.303 -6.053 -5.835 498 HB2 ASP 65 HB2 ASP 65 8.955 -3.983 -7.061 499 HB3 ASP 65 HB3 ASP 65 8.573 -3.029 -5.638 500 H GLU 66 H GLU 66 7.408 -7.124 -4.075 501 HA GLU 66 HA GLU 66 7.174 -5.623 -1.500 502 HB2 GLU 66 HB2 GLU 66 5.643 -7.347 -0.715 503 HB3 GLU 66 HB3 GLU 66 5.026 -6.437 -2.093 504 HG2 GLU 66 HG2 GLU 66 5.414 -8.253 -3.600 505 HG3 GLU 66 HG3 GLU 66 6.296 -9.181 -2.371 506 H SER 67 H SER 67 9.535 -6.939 -2.910 507 HA SER 67 HA SER 67 10.403 -9.259 -1.648 508 HB2 SER 67 HB2 SER 67 12.652 -8.569 -2.399 509 HB3 SER 67 HB3 SER 67 11.422 -8.325 -3.650 510 HG SER 67 HG SER 67 12.644 -6.506 -3.596 511 H LEU 68 H LEU 68 10.615 -5.936 -0.300 512 HA LEU 68 HA LEU 68 12.412 -6.858 1.826 513 HB2 LEU 68 HB2 LEU 68 12.448 -4.586 0.809 514 HB3 LEU 68 HB3 LEU 68 10.841 -4.263 1.418 515 HG LEU 68 HG LEU 68 12.749 -3.148 2.576 516 HD11 LEU 68 HD11 LEU 68 11.241 -4.838 4.584 517 HD12 LEU 68 HD12 LEU 68 11.894 -3.209 4.756 518 HD13 LEU 68 HD13 LEU 68 10.510 -3.495 3.692 519 HD21 LEU 68 HD21 LEU 68 14.347 -5.023 2.594 520 HD22 LEU 68 HD22 LEU 68 14.097 -4.328 4.209 521 HD23 LEU 68 HD23 LEU 68 13.342 -5.871 3.789 522 H ILE 69 H ILE 69 8.976 -6.624 1.392 523 HA ILE 69 HA ILE 69 8.329 -6.703 4.277 524 HB ILE 69 HB ILE 69 6.334 -7.271 2.072 525 HG12 ILE 69 HG12 ILE 69 7.449 -5.150 1.371 526 HG13 ILE 69 HG13 ILE 69 5.745 -5.040 1.708 527 HG21 ILE 69 HG21 ILE 69 6.199 -6.163 4.911 528 HG22 ILE 69 HG22 ILE 69 4.816 -6.190 3.819 529 HG23 ILE 69 HG23 ILE 69 5.564 -7.706 4.305 530 HD11 ILE 69 HD11 ILE 69 6.902 -3.073 2.551 531 HD12 ILE 69 HD12 ILE 69 6.156 -3.985 3.862 532 HD13 ILE 69 HD13 ILE 69 7.918 -4.095 3.606 533 H THR 70 H THR 70 8.031 -8.817 1.456 534 HA THR 70 HA THR 70 7.347 -11.150 3.137 535 HB THR 70 HB THR 70 7.146 -10.967 0.121 536 HG1 THR 70 HG1 THR 70 5.206 -10.036 0.282 537 HG21 THR 70 HG21 THR 70 6.604 -13.175 1.112 538 HG22 THR 70 HG22 THR 70 5.501 -12.395 2.265 539 HG23 THR 70 HG23 THR 70 5.130 -12.393 0.530 540 H GLY 71 H GLY 71 10.109 -10.017 1.419 541 HA2 GLY 71 HA2 GLY 71 12.237 -10.905 1.412 542 HA3 GLY 71 HA3 GLY 71 11.638 -12.347 2.230 543 H GLU 72 H GLU 72 9.833 -11.944 -0.503 544 HA GLU 72 HA GLU 72 10.558 -14.360 -1.654 545 HB2 GLU 72 HB2 GLU 72 9.203 -12.030 -3.064 546 HB3 GLU 72 HB3 GLU 72 9.141 -13.711 -3.586 547 HG2 GLU 72 HG2 GLU 72 8.054 -12.764 -0.904 548 HG3 GLU 72 HG3 GLU 72 7.104 -12.814 -2.377 549 H ALA 73 H ALA 73 11.554 -11.213 -3.030 550 HA ALA 73 HA ALA 73 13.507 -10.517 -3.938 551 HB1 ALA 73 HB1 ALA 73 14.795 -12.295 -2.749 552 HB2 ALA 73 HB2 ALA 73 14.534 -13.354 -4.152 553 HB3 ALA 73 HB3 ALA 73 15.433 -11.842 -4.341 554 H MET 74 H MET 74 11.407 -12.873 -5.188 555 HA MET 74 HA MET 74 11.797 -12.047 -7.992 556 HB2 MET 74 HB2 MET 74 9.906 -13.595 -8.371 557 HB3 MET 74 HB3 MET 74 11.357 -14.377 -7.734 558 HG2 MET 74 HG2 MET 74 10.333 -14.548 -5.537 559 HG3 MET 74 HG3 MET 74 8.944 -13.577 -6.051 560 HE1 MET 74 HE1 MET 74 7.374 -15.475 -4.972 561 HE2 MET 74 HE2 MET 74 7.534 -17.195 -5.394 562 HE3 MET 74 HE3 MET 74 8.849 -16.373 -4.535 563 HA PRO 75 HA PRO 75 8.462 -9.048 -7.559 564 HB2 PRO 75 HB2 PRO 75 7.843 -8.537 -10.111 565 HB3 PRO 75 HB3 PRO 75 9.442 -8.112 -9.440 566 HG2 PRO 75 HG2 PRO 75 8.704 -10.581 -11.054 567 HG3 PRO 75 HG3 PRO 75 10.068 -9.449 -11.335 568 HD2 PRO 75 HD2 PRO 75 10.354 -11.784 -9.930 569 HD3 PRO 75 HD3 PRO 75 11.279 -10.309 -9.515 570 H VAL 76 H VAL 76 6.202 -8.849 -7.676 571 HA VAL 76 HA VAL 76 4.752 -11.464 -8.015 572 HB VAL 76 HB VAL 76 4.290 -9.282 -5.947 573 HG11 VAL 76 HG11 VAL 76 2.844 -10.971 -4.854 574 HG12 VAL 76 HG12 VAL 76 2.217 -10.533 -6.447 575 HG13 VAL 76 HG13 VAL 76 3.081 -12.068 -6.228 576 HG21 VAL 76 HG21 VAL 76 6.390 -10.444 -5.446 577 HG22 VAL 76 HG22 VAL 76 5.142 -10.978 -4.321 578 HG23 VAL 76 HG23 VAL 76 5.605 -12.023 -5.677 579 H ALA 77 H ALA 77 3.012 -11.544 -9.336 580 HA ALA 77 HA ALA 77 2.140 -9.109 -10.696 581 HB1 ALA 77 HB1 ALA 77 2.524 -11.215 -11.914 582 HB2 ALA 77 HB2 ALA 77 1.247 -12.003 -10.962 583 HB3 ALA 77 HB3 ALA 77 0.843 -10.677 -12.064 584 H LYS 78 H LYS 78 0.305 -8.035 -10.492 585 HA LYS 78 HA LYS 78 -1.859 -8.933 -8.625 586 HB2 LYS 78 HB2 LYS 78 -0.999 -6.064 -9.134 587 HB3 LYS 78 HB3 LYS 78 -2.171 -6.622 -7.946 588 HG2 LYS 78 HG2 LYS 78 0.804 -7.247 -7.892 589 HG3 LYS 78 HG3 LYS 78 0.032 -5.914 -7.050 590 HD2 LYS 78 HD2 LYS 78 -1.246 -7.512 -5.655 591 HD3 LYS 78 HD3 LYS 78 -0.578 -8.879 -6.567 592 HE2 LYS 78 HE2 LYS 78 1.709 -8.266 -5.881 593 HE3 LYS 78 HE3 LYS 78 1.095 -6.869 -4.989 594 HZ1 LYS 78 HZ1 LYS 78 0.416 -9.690 -4.380 595 HZ2 LYS 78 HZ2 LYS 78 1.512 -8.788 -3.542 596 HZ3 LYS 78 HZ3 LYS 78 -0.092 -8.399 -3.516 597 H LYS 79 H LYS 79 -3.928 -8.369 -9.160 598 HA LYS 79 HA LYS 79 -4.691 -7.565 -11.924 599 HB2 LYS 79 HB2 LYS 79 -4.944 -10.270 -10.530 600 HB3 LYS 79 HB3 LYS 79 -6.095 -9.817 -11.769 601 HG2 LYS 79 HG2 LYS 79 -4.340 -9.657 -13.452 602 HG3 LYS 79 HG3 LYS 79 -3.084 -9.885 -12.231 603 HD2 LYS 79 HD2 LYS 79 -3.400 -11.958 -13.439 604 HD3 LYS 79 HD3 LYS 79 -3.887 -12.152 -11.753 605 HE2 LYS 79 HE2 LYS 79 -6.297 -11.776 -12.514 606 HE3 LYS 79 HE3 LYS 79 -5.708 -11.792 -14.177 607 HZ1 LYS 79 HZ1 LYS 79 -4.887 -14.080 -13.753 608 HZ2 LYS 79 HZ2 LYS 79 -5.524 -14.033 -12.229 609 HZ3 LYS 79 HZ3 LYS 79 -6.486 -13.962 -13.573 610 HA PRO 80 HA PRO 80 -8.418 -6.186 -9.717 611 HB2 PRO 80 HB2 PRO 80 -10.548 -7.325 -11.086 612 HB3 PRO 80 HB3 PRO 80 -9.660 -5.863 -11.620 613 HG2 PRO 80 HG2 PRO 80 -9.227 -8.741 -12.483 614 HG3 PRO 80 HG3 PRO 80 -9.373 -7.284 -13.521 615 HD2 PRO 80 HD2 PRO 80 -6.953 -8.259 -12.899 616 HD3 PRO 80 HD3 PRO 80 -7.228 -6.503 -12.873 617 H GLY 81 H GLY 81 -9.322 -6.902 -7.884 618 HA2 GLY 81 HA2 GLY 81 -10.180 -8.296 -6.249 619 HA3 GLY 81 HA3 GLY 81 -10.101 -9.684 -7.338 620 H SER 82 H SER 82 -7.171 -7.686 -6.860 621 HA SER 82 HA SER 82 -5.907 -10.081 -5.546 622 HB2 SER 82 HB2 SER 82 -5.023 -9.336 -7.833 623 HB3 SER 82 HB3 SER 82 -4.445 -7.876 -7.015 624 HG SER 82 HG SER 82 -3.787 -10.603 -6.489 625 H THR 83 H THR 83 -4.085 -9.550 -3.919 626 HA THR 83 HA THR 83 -4.885 -7.140 -2.352 627 HB THR 83 HB THR 83 -4.091 -8.421 -0.346 628 HG1 THR 83 HG1 THR 83 -4.189 -10.622 -0.468 629 HG21 THR 83 HG21 THR 83 -6.539 -9.460 -1.840 630 HG22 THR 83 HG22 THR 83 -6.245 -9.541 -0.088 631 HG23 THR 83 HG23 THR 83 -6.470 -7.974 -0.870 632 H VAL 84 H VAL 84 -3.473 -5.933 -1.271 633 HA VAL 84 HA VAL 84 -0.569 -6.194 -1.860 634 HB VAL 84 HB VAL 84 -0.502 -3.749 -2.391 635 HG11 VAL 84 HG11 VAL 84 -2.095 -5.434 -4.353 636 HG12 VAL 84 HG12 VAL 84 -1.152 -3.974 -4.725 637 HG13 VAL 84 HG13 VAL 84 -0.329 -5.431 -4.151 638 HG21 VAL 84 HG21 VAL 84 -3.515 -3.988 -2.793 639 HG22 VAL 84 HG22 VAL 84 -2.721 -3.072 -1.494 640 HG23 VAL 84 HG23 VAL 84 -2.489 -2.595 -3.181 641 H ILE 85 H ILE 85 0.777 -4.825 -0.607 642 HA ILE 85 HA ILE 85 -0.352 -3.935 1.991 643 HB ILE 85 HB ILE 85 1.619 -4.482 3.150 644 HG12 ILE 85 HG12 ILE 85 3.417 -4.088 1.674 645 HG13 ILE 85 HG13 ILE 85 3.493 -5.746 2.226 646 HG21 ILE 85 HG21 ILE 85 0.830 -6.925 1.529 647 HG22 ILE 85 HG22 ILE 85 1.614 -6.885 3.120 648 HG23 ILE 85 HG23 ILE 85 -0.041 -6.273 2.934 649 HD11 ILE 85 HD11 ILE 85 2.611 -4.857 -0.530 650 HD12 ILE 85 HD12 ILE 85 4.139 -5.612 -0.074 651 HD13 ILE 85 HD13 ILE 85 2.642 -6.544 0.054 652 H ALA 86 H ALA 86 0.539 -2.123 2.977 653 HA ALA 86 HA ALA 86 1.309 -0.014 1.256 654 HB1 ALA 86 HB1 ALA 86 1.591 -0.262 4.292 655 HB2 ALA 86 HB2 ALA 86 1.621 1.256 3.364 656 HB3 ALA 86 HB3 ALA 86 0.144 0.281 3.445 657 H GLY 87 H GLY 87 3.238 1.099 1.003 658 HA2 GLY 87 HA2 GLY 87 5.519 1.576 1.176 659 HA3 GLY 87 HA3 GLY 87 5.747 0.171 2.231 660 H SER 88 H SER 88 4.164 -1.155 -0.299 661 HA SER 88 HA SER 88 6.629 -2.066 -1.657 662 HB2 SER 88 HB2 SER 88 5.181 -3.625 -2.846 663 HB3 SER 88 HB3 SER 88 4.973 -3.769 -1.106 664 HG SER 88 HG SER 88 2.978 -2.752 -1.262 665 H ILE 89 H ILE 89 6.704 -2.009 -4.040 666 HA ILE 89 HA ILE 89 5.742 0.639 -5.028 667 HB ILE 89 HB ILE 89 7.873 -0.765 -6.543 668 HG12 ILE 89 HG12 ILE 89 8.753 -1.197 -4.300 669 HG13 ILE 89 HG13 ILE 89 9.725 -0.075 -5.225 670 HG21 ILE 89 HG21 ILE 89 7.032 1.407 -7.265 671 HG22 ILE 89 HG22 ILE 89 7.385 2.126 -5.683 672 HG23 ILE 89 HG23 ILE 89 8.708 1.578 -6.737 673 HD11 ILE 89 HD11 ILE 89 8.966 1.805 -3.914 674 HD12 ILE 89 HD12 ILE 89 7.770 0.798 -3.057 675 HD13 ILE 89 HD13 ILE 89 9.497 0.509 -2.826 676 H ASN 90 H ASN 90 4.742 0.881 -6.978 677 HA ASN 90 HA ASN 90 3.613 -1.559 -8.253 678 HB2 ASN 90 HB2 ASN 90 2.045 0.190 -7.346 679 HB3 ASN 90 HB3 ASN 90 2.782 1.373 -8.424 680 HD21 ASN 90 HD22 ASN 90 1.528 1.659 -10.204 681 HD22 ASN 90 HD21 ASN 90 0.655 0.377 -11.012 682 H GLN 91 H GLN 91 3.812 -1.969 -10.509 683 HA GLN 91 HA GLN 91 5.116 -0.017 -12.255 684 HB2 GLN 91 HB2 GLN 91 6.877 -1.470 -10.863 685 HB3 GLN 91 HB3 GLN 91 6.430 -2.735 -11.997 686 HG2 GLN 91 HG2 GLN 91 8.351 -1.723 -12.877 687 HG3 GLN 91 HG3 GLN 91 7.049 -1.076 -13.872 688 HE21 GLN 91 HE22 GLN 91 6.627 1.244 -13.743 689 HE22 GLN 91 HE21 GLN 91 7.675 2.283 -12.778 690 H ASN 92 H ASN 92 4.527 -0.284 -14.371 691 HA ASN 92 HA ASN 92 4.243 -1.484 -16.326 692 HB2 ASN 92 HB2 ASN 92 4.029 -3.748 -15.447 693 HB3 ASN 92 HB3 ASN 92 2.403 -3.381 -14.860 694 HD21 ASN 92 HD22 ASN 92 0.652 -3.372 -16.320 695 HD22 ASN 92 HD21 ASN 92 0.877 -3.678 -18.035 696 H GLY 93 H GLY 93 1.564 -0.645 -14.032 697 HA2 GLY 93 HA2 GLY 93 0.648 1.421 -15.890 698 HA3 GLY 93 HA3 GLY 93 -0.421 0.026 -15.789 699 H SER 94 H SER 94 -1.790 1.966 -15.139 700 HA SER 94 HA SER 94 -1.519 2.889 -12.341 701 HB2 SER 94 HB2 SER 94 -3.602 3.624 -14.420 702 HB3 SER 94 HB3 SER 94 -3.276 4.466 -12.898 703 HG SER 94 HG SER 94 -2.371 5.206 -15.083 704 H LEU 95 H LEU 95 -2.847 2.188 -10.651 705 HA LEU 95 HA LEU 95 -5.195 0.414 -11.293 706 HB2 LEU 95 HB2 LEU 95 -3.609 0.084 -8.793 707 HB3 LEU 95 HB3 LEU 95 -4.603 -1.071 -9.616 708 HG LEU 95 HG LEU 95 -1.813 -0.220 -10.521 709 HD11 LEU 95 HD11 LEU 95 -2.795 -2.580 -8.844 710 HD12 LEU 95 HD12 LEU 95 -1.151 -2.390 -9.471 711 HD13 LEU 95 HD13 LEU 95 -1.762 -1.239 -8.294 712 HD21 LEU 95 HD21 LEU 95 -3.525 -2.641 -11.206 713 HD22 LEU 95 HD22 LEU 95 -3.313 -1.233 -12.272 714 HD23 LEU 95 HD23 LEU 95 -1.919 -2.237 -11.868 715 H LEU 96 H LEU 96 -6.784 0.177 -9.643 716 HA LEU 96 HA LEU 96 -7.021 2.463 -7.708 717 HB2 LEU 96 HB2 LEU 96 -9.218 0.952 -9.168 718 HB3 LEU 96 HB3 LEU 96 -9.486 1.970 -7.785 719 HG LEU 96 HG LEU 96 -8.745 3.928 -8.919 720 HD11 LEU 96 HD11 LEU 96 -8.273 2.191 -11.379 721 HD12 LEU 96 HD12 LEU 96 -8.498 3.935 -11.471 722 HD13 LEU 96 HD13 LEU 96 -7.125 3.289 -10.592 723 HD21 LEU 96 HD21 LEU 96 -11.095 3.341 -9.091 724 HD22 LEU 96 HD22 LEU 96 -10.498 4.252 -10.498 725 HD23 LEU 96 HD23 LEU 96 -10.768 2.495 -10.626 726 H ILE 97 H ILE 97 -6.750 1.881 -5.673 727 HA ILE 97 HA ILE 97 -7.306 -0.944 -4.838 728 HB ILE 97 HB ILE 97 -5.343 1.013 -3.588 729 HG12 ILE 97 HG12 ILE 97 -3.747 -0.910 -4.640 730 HG13 ILE 97 HG13 ILE 97 -5.019 -0.941 -5.855 731 HG21 ILE 97 HG21 ILE 97 -4.468 -0.963 -2.438 732 HG22 ILE 97 HG22 ILE 97 -6.177 -0.774 -2.063 733 HG23 ILE 97 HG23 ILE 97 -5.660 -2.001 -3.241 734 HD11 ILE 97 HD11 ILE 97 -4.650 1.527 -6.235 735 HD12 ILE 97 HD12 ILE 97 -3.375 1.486 -4.999 736 HD13 ILE 97 HD13 ILE 97 -3.209 0.550 -6.497 737 H CYS 98 H CYS 98 -8.787 -1.300 -3.280 738 HA CYS 98 HA CYS 98 -10.005 1.020 -1.883 739 HB2 CYS 98 HB2 CYS 98 -11.660 -0.515 -1.043 740 HB3 CYS 98 HB3 CYS 98 -11.549 -0.620 -2.802 741 HG CYS 98 HG CYS 98 -9.863 -2.726 -2.751 742 H ALA 99 H ALA 99 -9.408 1.678 0.096 743 HA ALA 99 HA ALA 99 -7.138 0.396 1.382 744 HB1 ALA 99 HB1 ALA 99 -8.876 2.784 2.172 745 HB2 ALA 99 HB2 ALA 99 -7.296 2.362 2.864 746 HB3 ALA 99 HB3 ALA 99 -7.423 2.865 1.160 747 H THR 100 H THR 100 -7.223 -1.074 3.042 748 HA THR 100 HA THR 100 -9.849 -1.433 4.468 749 HB THR 100 HB THR 100 -9.216 -3.696 4.946 750 HG1 THR 100 HG1 THR 100 -6.738 -3.017 3.765 751 HG21 THR 100 HG21 THR 100 -10.303 -3.283 2.773 752 HG22 THR 100 HG22 THR 100 -8.721 -3.141 1.991 753 HG23 THR 100 HG23 THR 100 -9.218 -4.682 2.722 754 H HIS 101 H HIS 101 -6.755 -0.173 5.015 755 HA HIS 101 HA HIS 101 -7.544 0.251 7.811 756 HB2 HIS 101 HB2 HIS 101 -4.758 -0.654 6.992 757 HB3 HIS 101 HB3 HIS 101 -5.267 -0.207 8.621 758 HD1 HIS 101 HD1 HIS 101 -4.869 -3.228 6.470 759 HD2 HIS 101 HD2 HIS 101 -7.263 -1.964 9.705 760 HE1 HIS 101 HE1 HIS 101 -5.889 -5.319 7.447 761 H VAL 102 H VAL 102 -6.700 2.260 8.659 762 HA VAL 102 HA VAL 102 -5.555 4.184 6.701 763 HB VAL 102 HB VAL 102 -5.454 5.771 8.607 764 HG11 VAL 102 HG11 VAL 102 -8.188 4.574 8.017 765 HG12 VAL 102 HG12 VAL 102 -7.846 6.231 8.571 766 HG13 VAL 102 HG13 VAL 102 -7.286 5.704 6.975 767 HG21 VAL 102 HG21 VAL 102 -5.474 4.085 10.488 768 HG22 VAL 102 HG22 VAL 102 -6.679 5.377 10.637 769 HG23 VAL 102 HG23 VAL 102 -7.185 3.773 10.104 770 H GLY 103 H GLY 103 -3.420 5.447 7.629 771 HA2 GLY 103 HA2 GLY 103 -1.519 3.461 6.802 772 HA3 GLY 103 HA3 GLY 103 -1.166 5.081 7.292 773 H ALA 104 H ALA 104 -2.123 4.996 9.996 774 HA ALA 104 HA ALA 104 0.075 3.578 11.277 775 HB1 ALA 104 HB1 ALA 104 -2.251 5.165 12.404 776 HB2 ALA 104 HB2 ALA 104 -0.879 4.543 13.348 777 HB3 ALA 104 HB3 ALA 104 -0.609 5.750 12.079 778 H ASP 105 H ASP 105 -3.442 2.983 11.119 779 HA ASP 105 HA ASP 105 -3.382 0.598 12.754 780 HB2 ASP 105 HB2 ASP 105 -5.363 2.077 12.454 781 HB3 ASP 105 HB3 ASP 105 -5.496 1.489 10.793 782 H THR 106 H THR 106 -2.110 1.034 9.703 783 HA THR 106 HA THR 106 -2.911 -1.120 8.121 784 HB THR 106 HB THR 106 -0.562 -1.114 7.167 785 HG1 THR 106 HG1 THR 106 -0.067 1.199 8.568 786 HG21 THR 106 HG21 THR 106 -2.085 1.438 7.227 787 HG22 THR 106 HG22 THR 106 -0.664 1.147 6.197 788 HG23 THR 106 HG23 THR 106 -2.130 0.160 6.026 789 H THR 107 H THR 107 -2.195 -3.067 7.610 790 HA THR 107 HA THR 107 -1.359 -4.938 9.604 791 HB THR 107 HB THR 107 -2.556 -5.167 7.268 792 HG1 THR 107 HG1 THR 107 -2.030 -7.317 7.274 793 HG21 THR 107 HG21 THR 107 -1.238 -6.083 5.484 794 HG22 THR 107 HG22 THR 107 -0.573 -4.493 5.869 795 HG23 THR 107 HG23 THR 107 0.258 -5.970 6.427 796 H LEU 108 H LEU 108 0.464 -2.960 7.318 797 HA LEU 108 HA LEU 108 3.077 -3.985 7.652 798 HB2 LEU 108 HB2 LEU 108 2.281 -2.399 5.871 799 HB3 LEU 108 HB3 LEU 108 2.070 -1.158 7.099 800 HG LEU 108 HG LEU 108 4.617 -1.441 7.592 801 HD11 LEU 108 HD11 LEU 108 4.941 -3.553 6.342 802 HD12 LEU 108 HD12 LEU 108 4.414 -2.749 4.846 803 HD13 LEU 108 HD13 LEU 108 5.914 -2.236 5.647 804 HD21 LEU 108 HD21 LEU 108 5.219 0.088 5.836 805 HD22 LEU 108 HD22 LEU 108 3.796 -0.358 4.882 806 HD23 LEU 108 HD23 LEU 108 3.600 0.494 6.437 807 H SER 109 H SER 109 1.422 -1.292 9.414 808 HA SER 109 HA SER 109 3.739 -0.765 11.093 809 HB2 SER 109 HB2 SER 109 0.855 0.093 11.429 810 HB3 SER 109 HB3 SER 109 2.247 0.726 12.333 811 HG SER 109 HG SER 109 1.656 0.968 9.576 812 H GLN 110 H GLN 110 1.207 -3.147 11.265 813 HA GLN 110 HA GLN 110 1.551 -3.660 14.122 814 HB2 GLN 110 HB2 GLN 110 -0.567 -4.153 12.934 815 HB3 GLN 110 HB3 GLN 110 0.247 -5.350 11.968 816 HG2 GLN 110 HG2 GLN 110 -0.840 -6.529 13.668 817 HG3 GLN 110 HG3 GLN 110 0.869 -6.619 14.062 818 HE21 GLN 110 HE22 GLN 110 -1.939 -4.372 14.663 819 HE22 GLN 110 HE21 GLN 110 -1.502 -4.131 16.328 820 H ILE 111 H ILE 111 2.891 -5.047 11.079 821 HA ILE 111 HA ILE 111 4.259 -7.248 12.095 822 HB ILE 111 HB ILE 111 5.232 -5.322 9.952 823 HG12 ILE 111 HG12 ILE 111 3.997 -8.101 9.651 824 HG13 ILE 111 HG13 ILE 111 3.049 -6.629 9.623 825 HG21 ILE 111 HG21 ILE 111 6.735 -7.171 9.191 826 HG22 ILE 111 HG22 ILE 111 7.195 -6.571 10.770 827 HG23 ILE 111 HG23 ILE 111 6.300 -8.101 10.639 828 HD11 ILE 111 HD11 ILE 111 5.167 -7.427 7.606 829 HD12 ILE 111 HD12 ILE 111 3.429 -7.216 7.355 830 HD13 ILE 111 HD13 ILE 111 4.448 -5.803 7.684 831 H VAL 112 H VAL 112 5.712 -3.910 12.013 832 HA VAL 112 HA VAL 112 8.036 -4.653 13.472 833 HB VAL 112 HB VAL 112 8.312 -2.241 13.946 834 HG11 VAL 112 HG11 VAL 112 7.482 -2.836 11.076 835 HG12 VAL 112 HG12 VAL 112 8.557 -1.540 11.634 836 HG13 VAL 112 HG13 VAL 112 9.059 -3.228 11.805 837 HG21 VAL 112 HG21 VAL 112 5.654 -1.849 12.492 838 HG22 VAL 112 HG22 VAL 112 5.947 -1.532 14.218 839 HG23 VAL 112 HG23 VAL 112 6.786 -0.584 12.996 840 H LYS 113 H LYS 113 4.836 -4.135 14.671 841 HA LYS 113 HA LYS 113 5.672 -3.660 17.471 842 HB2 LYS 113 HB2 LYS 113 2.972 -3.795 16.111 843 HB3 LYS 113 HB3 LYS 113 3.171 -3.793 17.876 844 HG2 LYS 113 HG2 LYS 113 4.456 -1.677 17.713 845 HG3 LYS 113 HG3 LYS 113 4.293 -1.746 15.949 846 HD2 LYS 113 HD2 LYS 113 1.676 -1.873 16.522 847 HD3 LYS 113 HD3 LYS 113 2.218 -1.092 18.042 848 HE2 LYS 113 HE2 LYS 113 3.522 0.527 16.632 849 HE3 LYS 113 HE3 LYS 113 2.890 -0.295 15.199 850 HZ1 LYS 113 HZ1 LYS 113 0.629 0.321 15.977 851 HZ2 LYS 113 HZ2 LYS 113 1.255 1.214 17.192 852 HZ3 LYS 113 HZ3 LYS 113 1.526 1.634 15.614 853 H LEU 114 H LEU 114 4.596 -6.262 15.360 854 HA LEU 114 HA LEU 114 4.273 -8.301 17.414 855 HB2 LEU 114 HB2 LEU 114 3.414 -8.010 14.864 856 HB3 LEU 114 HB3 LEU 114 4.875 -8.943 14.535 857 HG LEU 114 HG LEU 114 2.544 -9.725 16.330 858 HD11 LEU 114 HD11 LEU 114 3.446 -10.812 13.629 859 HD12 LEU 114 HD12 LEU 114 2.075 -11.400 14.596 860 HD13 LEU 114 HD13 LEU 114 2.034 -9.764 13.909 861 HD21 LEU 114 HD21 LEU 114 4.537 -10.756 17.208 862 HD22 LEU 114 HD22 LEU 114 3.644 -11.994 16.320 863 HD23 LEU 114 HD23 LEU 114 5.072 -11.233 15.576 864 H VAL 115 H VAL 115 6.858 -7.307 15.179 865 HA VAL 115 HA VAL 115 8.900 -9.118 16.112 866 HB VAL 115 HB VAL 115 9.073 -6.374 14.819 867 HG11 VAL 115 HG11 VAL 115 11.329 -8.328 15.437 868 HG12 VAL 115 HG12 VAL 115 11.450 -6.965 14.304 869 HG13 VAL 115 HG13 VAL 115 11.165 -6.645 16.009 870 HG21 VAL 115 HG21 VAL 115 9.607 -9.187 13.758 871 HG22 VAL 115 HG22 VAL 115 8.150 -8.239 13.423 872 HG23 VAL 115 HG23 VAL 115 9.714 -7.674 12.830 873 H GLU 116 H GLU 116 8.333 -5.674 17.223 874 HA GLU 116 HA GLU 116 9.915 -5.928 19.480 875 HB2 GLU 116 HB2 GLU 116 7.664 -4.133 18.670 876 HB3 GLU 116 HB3 GLU 116 8.115 -4.091 20.360 877 HG2 GLU 116 HG2 GLU 116 10.105 -3.751 18.088 878 HG3 GLU 116 HG3 GLU 116 9.320 -2.411 18.927 879 H GLU 117 H GLU 117 6.998 -7.778 19.257 880 HA GLU 117 HA GLU 117 6.638 -7.926 22.169 881 HB2 GLU 117 HB2 GLU 117 5.740 -9.876 20.005 882 HB3 GLU 117 HB3 GLU 117 5.346 -9.952 21.716 883 HG2 GLU 117 HG2 GLU 117 4.373 -7.548 21.387 884 HG3 GLU 117 HG3 GLU 117 4.394 -7.950 19.673 885 H ALA 118 H ALA 118 8.867 -9.339 19.853 886 HA ALA 118 HA ALA 118 9.755 -11.456 21.682 887 HB1 ALA 118 HB1 ALA 118 10.788 -10.492 18.996 888 HB2 ALA 118 HB2 ALA 118 11.468 -11.850 19.927 889 HB3 ALA 118 HB3 ALA 118 9.800 -11.917 19.321 890 H GLN 119 H GLN 119 11.462 -8.617 20.276 891 HA GLN 119 HA GLN 119 13.334 -8.469 22.367 892 HB2 GLN 119 HB2 GLN 119 12.636 -6.296 20.399 893 HB3 GLN 119 HB3 GLN 119 14.044 -6.342 21.452 894 HG2 GLN 119 HG2 GLN 119 14.805 -7.074 19.336 895 HG3 GLN 119 HG3 GLN 119 14.738 -8.525 20.369 896 HE21 GLN 119 HE22 GLN 119 12.779 -6.599 18.110 897 HE22 GLN 119 HE21 GLN 119 11.708 -7.964 17.783 Start of MODEL 18 1 H SER 1 H SER 1 16.921 -6.196 15.610 2 HA SER 1 HA SER 1 16.887 -3.481 15.277 3 HB2 SER 1 HB2 SER 1 17.836 -4.589 17.242 4 HB3 SER 1 HB3 SER 1 19.273 -4.989 16.286 5 HG SER 1 HG SER 1 18.412 -2.480 17.258 6 H GLU 2 H GLU 2 18.333 -1.831 14.557 7 HA GLU 2 HA GLU 2 19.239 -0.617 12.938 8 HB2 GLU 2 HB2 GLU 2 21.240 -2.018 13.336 9 HB3 GLU 2 HB3 GLU 2 20.773 -3.053 11.978 10 HG2 GLU 2 HG2 GLU 2 20.976 -1.188 10.425 11 HG3 GLU 2 HG3 GLU 2 21.253 -0.057 11.754 12 H ALA 3 H ALA 3 18.141 -3.747 11.513 13 HA ALA 3 HA ALA 3 17.042 -2.448 9.139 14 HB1 ALA 3 HB1 ALA 3 16.639 -5.235 10.297 15 HB2 ALA 3 HB2 ALA 3 16.138 -4.683 8.686 16 HB3 ALA 3 HB3 ALA 3 17.862 -4.761 9.093 17 H LEU 4 H LEU 4 16.033 -2.583 12.369 18 HA LEU 4 HA LEU 4 13.271 -3.099 12.277 19 HB2 LEU 4 HB2 LEU 4 14.764 -2.965 14.310 20 HB3 LEU 4 HB3 LEU 4 14.826 -1.226 14.111 21 HG LEU 4 HG LEU 4 12.193 -1.338 14.355 22 HD11 LEU 4 HD11 LEU 4 13.077 -3.893 15.764 23 HD12 LEU 4 HD12 LEU 4 11.468 -3.152 15.869 24 HD13 LEU 4 HD13 LEU 4 12.048 -3.827 14.320 25 HD21 LEU 4 HD21 LEU 4 13.727 -0.266 15.958 26 HD22 LEU 4 HD22 LEU 4 12.418 -1.122 16.763 27 HD23 LEU 4 HD23 LEU 4 14.045 -1.843 16.720 28 H ALA 5 H ALA 5 14.995 -0.007 11.569 29 HA ALA 5 HA ALA 5 12.598 1.603 11.663 30 HB1 ALA 5 HB1 ALA 5 14.106 3.335 10.790 31 HB2 ALA 5 HB2 ALA 5 14.846 2.492 12.161 32 HB3 ALA 5 HB3 ALA 5 15.371 2.121 10.500 33 H LYS 6 H LYS 6 13.927 -0.601 9.181 34 HA LYS 6 HA LYS 6 13.141 0.778 6.850 35 HB2 LYS 6 HB2 LYS 6 14.676 -1.182 7.135 36 HB3 LYS 6 HB3 LYS 6 13.262 -2.215 7.385 37 HG2 LYS 6 HG2 LYS 6 12.467 -1.794 5.134 38 HG3 LYS 6 HG3 LYS 6 13.669 -0.502 4.897 39 HD2 LYS 6 HD2 LYS 6 15.501 -2.130 5.148 40 HD3 LYS 6 HD3 LYS 6 14.331 -3.447 5.378 41 HE2 LYS 6 HE2 LYS 6 13.469 -3.176 3.138 42 HE3 LYS 6 HE3 LYS 6 14.359 -1.659 2.917 43 HZ1 LYS 6 HZ1 LYS 6 16.388 -2.802 2.886 44 HZ2 LYS 6 HZ2 LYS 6 15.752 -4.228 3.410 45 HZ3 LYS 6 HZ3 LYS 6 15.392 -3.691 1.895 46 H LEU 7 H LEU 7 11.285 -1.288 9.060 47 HA LEU 7 HA LEU 7 9.002 -1.671 7.375 48 HB2 LEU 7 HB2 LEU 7 9.448 -1.807 10.361 49 HB3 LEU 7 HB3 LEU 7 7.882 -2.119 9.643 50 HG LEU 7 HG LEU 7 9.075 -4.183 10.179 51 HD11 LEU 7 HD11 LEU 7 8.784 -3.864 7.160 52 HD12 LEU 7 HD12 LEU 7 8.741 -5.373 8.089 53 HD13 LEU 7 HD13 LEU 7 7.464 -4.177 8.306 54 HD21 LEU 7 HD21 LEU 7 11.414 -3.417 9.721 55 HD22 LEU 7 HD22 LEU 7 10.997 -4.972 8.983 56 HD23 LEU 7 HD23 LEU 7 11.050 -3.519 7.973 57 H ILE 8 H ILE 8 9.664 0.818 9.863 58 HA ILE 8 HA ILE 8 7.229 2.296 9.303 59 HB ILE 8 HB ILE 8 9.766 3.182 10.697 60 HG12 ILE 8 HG12 ILE 8 8.692 1.280 11.815 61 HG13 ILE 8 HG13 ILE 8 8.600 2.744 12.778 62 HG21 ILE 8 HG21 ILE 8 7.015 4.493 10.530 63 HG22 ILE 8 HG22 ILE 8 8.264 4.930 11.718 64 HG23 ILE 8 HG23 ILE 8 8.575 5.157 9.998 65 HD11 ILE 8 HD11 ILE 8 6.309 1.507 11.178 66 HD12 ILE 8 HD12 ILE 8 6.527 1.462 12.934 67 HD13 ILE 8 HD13 ILE 8 6.203 3.005 12.138 68 H SER 9 H SER 9 10.499 2.344 7.929 69 HA SER 9 HA SER 9 10.294 4.925 6.636 70 HB2 SER 9 HB2 SER 9 12.131 2.578 6.027 71 HB3 SER 9 HB3 SER 9 12.324 4.233 5.447 72 HG SER 9 HG SER 9 12.337 3.420 8.176 73 H LEU 10 H LEU 10 9.419 1.631 5.749 74 HA LEU 10 HA LEU 10 9.267 1.840 2.910 75 HB2 LEU 10 HB2 LEU 10 8.236 0.036 5.105 76 HB3 LEU 10 HB3 LEU 10 7.517 -0.136 3.525 77 HG LEU 10 HG LEU 10 10.533 -0.266 3.801 78 HD11 LEU 10 HD11 LEU 10 9.680 -1.928 5.373 79 HD12 LEU 10 HD12 LEU 10 8.507 -2.523 4.178 80 HD13 LEU 10 HD13 LEU 10 10.255 -2.741 3.923 81 HD21 LEU 10 HD21 LEU 10 9.512 -0.140 1.522 82 HD22 LEU 10 HD22 LEU 10 10.324 -1.676 1.801 83 HD23 LEU 10 HD23 LEU 10 8.547 -1.584 1.888 84 H GLN 11 H GLN 11 6.960 2.826 5.461 85 HA GLN 11 HA GLN 11 4.667 2.587 3.682 86 HB2 GLN 11 HB2 GLN 11 4.896 3.689 6.499 87 HB3 GLN 11 HB3 GLN 11 3.403 3.546 5.551 88 HG2 GLN 11 HG2 GLN 11 4.180 1.064 5.180 89 HG3 GLN 11 HG3 GLN 11 5.152 1.316 6.631 90 HE21 GLN 11 HE22 GLN 11 3.833 1.919 8.695 91 HE22 GLN 11 HE21 GLN 11 2.175 1.330 8.685 92 H ALA 12 H ALA 12 3.741 4.026 2.413 93 HA ALA 12 HA ALA 12 5.067 6.528 1.882 94 HB1 ALA 12 HB1 ALA 12 3.461 6.709 0.040 95 HB2 ALA 12 HB2 ALA 12 4.197 5.098 0.112 96 HB3 ALA 12 HB3 ALA 12 2.538 5.340 0.687 97 H THR 13 H THR 13 4.094 8.602 1.750 98 HA THR 13 HA THR 13 2.551 9.156 4.221 99 HB THR 13 HB THR 13 4.332 11.078 2.722 100 HG1 THR 13 HG1 THR 13 5.054 9.270 4.784 101 HG21 THR 13 HG21 THR 13 4.756 11.911 5.066 102 HG22 THR 13 HG22 THR 13 3.096 12.131 4.526 103 HG23 THR 13 HG23 THR 13 3.481 10.807 5.637 104 H GLU 14 H GLU 14 1.845 9.231 0.957 105 HA GLU 14 HA GLU 14 -0.430 11.083 1.402 106 HB2 GLU 14 HB2 GLU 14 -0.071 12.299 -0.636 107 HB3 GLU 14 HB3 GLU 14 1.303 12.490 0.436 108 HG2 GLU 14 HG2 GLU 14 1.195 10.617 -1.969 109 HG3 GLU 14 HG3 GLU 14 1.886 12.234 -1.975 110 H ALA 15 H ALA 15 -2.137 10.994 -0.241 111 HA ALA 15 HA ALA 15 -2.246 8.510 -1.855 112 HB1 ALA 15 HB1 ALA 15 -4.441 7.926 -0.868 113 HB2 ALA 15 HB2 ALA 15 -3.165 7.925 0.364 114 HB3 ALA 15 HB3 ALA 15 -4.303 9.286 0.264 115 H THR 16 H THR 16 -3.870 8.501 -3.448 116 HA THR 16 HA THR 16 -5.211 11.113 -4.090 117 HB THR 16 HB THR 16 -4.268 9.023 -6.073 118 HG1 THR 16 HG1 THR 16 -2.622 10.330 -5.179 119 HG21 THR 16 HG21 THR 16 -5.609 11.745 -6.453 120 HG22 THR 16 HG22 THR 16 -4.853 10.790 -7.750 121 HG23 THR 16 HG23 THR 16 -6.280 10.166 -6.919 122 H ILE 17 H ILE 17 -7.293 10.980 -3.501 123 HA ILE 17 HA ILE 17 -8.714 8.366 -3.493 124 HB ILE 17 HB ILE 17 -9.688 10.973 -2.278 125 HG12 ILE 17 HG12 ILE 17 -7.794 8.956 -1.044 126 HG13 ILE 17 HG13 ILE 17 -7.553 10.683 -1.257 127 HG21 ILE 17 HG21 ILE 17 -10.349 8.049 -1.728 128 HG22 ILE 17 HG22 ILE 17 -11.065 9.444 -0.887 129 HG23 ILE 17 HG23 ILE 17 -11.382 9.208 -2.581 130 HD11 ILE 17 HD11 ILE 17 -9.486 9.371 0.677 131 HD12 ILE 17 HD12 ILE 17 -8.004 10.227 1.059 132 HD13 ILE 17 HD13 ILE 17 -9.375 11.128 0.377 133 H VAL 18 H VAL 18 -10.649 7.989 -4.737 134 HA VAL 18 HA VAL 18 -11.561 10.255 -6.462 135 HB VAL 18 HB VAL 18 -11.340 7.362 -7.314 136 HG11 VAL 18 HG11 VAL 18 -11.736 8.371 -9.585 137 HG12 VAL 18 HG12 VAL 18 -13.123 8.456 -8.497 138 HG13 VAL 18 HG13 VAL 18 -12.138 9.899 -8.784 139 HG21 VAL 18 HG21 VAL 18 -9.082 8.181 -7.117 140 HG22 VAL 18 HG22 VAL 18 -9.523 8.156 -8.828 141 HG23 VAL 18 HG23 VAL 18 -9.510 9.697 -7.945 142 H THR 19 H THR 19 -13.573 10.754 -6.235 143 HA THR 19 HA THR 19 -15.633 8.750 -5.359 144 HB THR 19 HB THR 19 -15.522 11.598 -4.317 145 HG1 THR 19 HG1 THR 19 -13.714 10.660 -3.517 146 HG21 THR 19 HG21 THR 19 -17.698 10.445 -4.039 147 HG22 THR 19 HG22 THR 19 -16.874 9.055 -3.296 148 HG23 THR 19 HG23 THR 19 -16.889 10.633 -2.482 149 H LEU 20 H LEU 20 -17.839 9.173 -6.030 150 HA LEU 20 HA LEU 20 -18.025 10.907 -8.420 151 HB2 LEU 20 HB2 LEU 20 -19.860 8.788 -7.251 152 HB3 LEU 20 HB3 LEU 20 -20.286 9.781 -8.630 153 HG LEU 20 HG LEU 20 -17.834 7.967 -8.568 154 HD11 LEU 20 HD11 LEU 20 -19.201 6.410 -9.935 155 HD12 LEU 20 HD12 LEU 20 -19.840 6.601 -8.300 156 HD13 LEU 20 HD13 LEU 20 -20.635 7.428 -9.646 157 HD21 LEU 20 HD21 LEU 20 -19.359 9.329 -10.834 158 HD22 LEU 20 HD22 LEU 20 -17.760 9.774 -10.242 159 HD23 LEU 20 HD23 LEU 20 -17.983 8.203 -11.023 160 H ASP 21 H ASP 21 -19.359 12.540 -8.677 161 HA ASP 21 HA ASP 21 -21.091 13.414 -6.377 162 HB2 ASP 21 HB2 ASP 21 -18.989 14.941 -7.714 163 HB3 ASP 21 HB3 ASP 21 -20.552 15.719 -7.903 164 H SER 22 H SER 22 -21.084 12.264 -9.415 165 HA SER 22 HA SER 22 -23.944 12.486 -9.673 166 HB2 SER 22 HB2 SER 22 -22.341 13.463 -12.048 167 HB3 SER 22 HB3 SER 22 -24.095 13.229 -11.960 168 HG SER 22 HG SER 22 -23.586 15.354 -11.835 169 H ASP 23 H ASP 23 -24.639 10.546 -10.459 170 HA ASP 23 HA ASP 23 -23.162 8.347 -10.227 171 HB2 ASP 23 HB2 ASP 23 -25.581 8.494 -10.098 172 HB3 ASP 23 HB3 ASP 23 -25.688 8.632 -11.852 173 H ASN 24 H ASN 24 -21.247 8.660 -11.359 174 HA ASN 24 HA ASN 24 -19.615 7.852 -12.697 175 HB2 ASN 24 HB2 ASN 24 -21.749 6.178 -14.086 176 HB3 ASN 24 HB3 ASN 24 -20.026 6.037 -14.358 177 HD21 ASN 24 HD22 ASN 24 -22.459 5.592 -11.839 178 HD22 ASN 24 HD21 ASN 24 -21.484 4.287 -11.205 179 H ILE 25 H ILE 25 -21.037 10.160 -13.080 180 HA ILE 25 HA ILE 25 -20.530 10.842 -15.948 181 HB ILE 25 HB ILE 25 -22.621 12.129 -16.114 182 HG12 ILE 25 HG12 ILE 25 -23.455 10.762 -13.550 183 HG13 ILE 25 HG13 ILE 25 -23.013 12.463 -13.752 184 HG21 ILE 25 HG21 ILE 25 -22.330 9.799 -17.014 185 HG22 ILE 25 HG22 ILE 25 -23.049 9.162 -15.529 186 HG23 ILE 25 HG23 ILE 25 -24.005 10.180 -16.618 187 HD11 ILE 25 HD11 ILE 25 -24.913 12.776 -15.299 188 HD12 ILE 25 HD12 ILE 25 -25.407 11.095 -14.988 189 HD13 ILE 25 HD13 ILE 25 -25.415 12.273 -13.675 190 H LEU 26 H LEU 26 -20.565 11.905 -12.623 191 HA LEU 26 HA LEU 26 -18.537 13.889 -13.502 192 HB2 LEU 26 HB2 LEU 26 -20.593 15.100 -12.929 193 HB3 LEU 26 HB3 LEU 26 -20.492 14.491 -11.269 194 HG LEU 26 HG LEU 26 -17.959 15.706 -12.340 195 HD11 LEU 26 HD11 LEU 26 -20.423 17.365 -11.766 196 HD12 LEU 26 HD12 LEU 26 -18.762 17.991 -11.927 197 HD13 LEU 26 HD13 LEU 26 -19.555 17.210 -13.319 198 HD21 LEU 26 HD21 LEU 26 -19.494 16.237 -9.784 199 HD22 LEU 26 HD22 LEU 26 -18.231 14.991 -9.946 200 HD23 LEU 26 HD23 LEU 26 -17.820 16.699 -10.141 201 H LEU 27 H LEU 27 -16.772 13.274 -12.848 202 HA LEU 27 HA LEU 27 -16.332 11.792 -10.276 203 HB2 LEU 27 HB2 LEU 27 -14.669 11.979 -12.806 204 HB3 LEU 27 HB3 LEU 27 -13.975 11.497 -11.264 205 HG LEU 27 HG LEU 27 -15.692 9.673 -11.075 206 HD11 LEU 27 HD11 LEU 27 -16.192 10.342 -14.009 207 HD12 LEU 27 HD12 LEU 27 -16.696 8.839 -13.210 208 HD13 LEU 27 HD13 LEU 27 -17.402 10.376 -12.709 209 HD21 LEU 27 HD21 LEU 27 -13.406 9.267 -11.747 210 HD22 LEU 27 HD22 LEU 27 -14.507 8.181 -12.602 211 HD23 LEU 27 HD23 LEU 27 -13.816 9.590 -13.451 212 H SER 28 H SER 28 -14.993 12.429 -8.743 213 HA SER 28 HA SER 28 -13.548 15.044 -8.898 214 HB2 SER 28 HB2 SER 28 -15.615 15.614 -7.903 215 HB3 SER 28 HB3 SER 28 -15.695 14.125 -6.972 216 HG SER 28 HG SER 28 -15.168 15.789 -5.633 217 H GLU 29 H GLU 29 -11.499 15.037 -7.895 218 HA GLU 29 HA GLU 29 -10.766 12.558 -6.456 219 HB2 GLU 29 HB2 GLU 29 -8.865 13.904 -8.373 220 HB3 GLU 29 HB3 GLU 29 -8.708 12.372 -7.537 221 HG2 GLU 29 HG2 GLU 29 -9.207 11.668 -9.670 222 HG3 GLU 29 HG3 GLU 29 -10.776 11.598 -8.882 223 H GLU 30 H GLU 30 -9.395 12.794 -4.757 224 HA GLU 30 HA GLU 30 -8.457 15.545 -4.039 225 HB2 GLU 30 HB2 GLU 30 -9.105 13.339 -2.058 226 HB3 GLU 30 HB3 GLU 30 -8.659 14.999 -1.699 227 HG2 GLU 30 HG2 GLU 30 -11.229 13.970 -2.891 228 HG3 GLU 30 HG3 GLU 30 -11.016 14.726 -1.321 229 H GLN 31 H GLN 31 -6.433 15.812 -3.219 230 HA GLN 31 HA GLN 31 -4.613 13.438 -3.125 231 HB2 GLN 31 HB2 GLN 31 -4.032 16.258 -4.130 232 HB3 GLN 31 HB3 GLN 31 -2.789 15.022 -3.841 233 HG2 GLN 31 HG2 GLN 31 -4.077 13.475 -5.340 234 HG3 GLN 31 HG3 GLN 31 -5.052 14.877 -5.887 235 HE21 GLN 31 HE22 GLN 31 -2.026 13.368 -5.483 236 HE22 GLN 31 HE21 GLN 31 -1.170 14.680 -6.094 237 H VAL 32 H VAL 32 -4.176 12.959 -1.085 238 HA VAL 32 HA VAL 32 -4.296 15.116 0.974 239 HB VAL 32 HB VAL 32 -5.592 13.746 2.409 240 HG11 VAL 32 HG11 VAL 32 -6.916 13.541 -0.323 241 HG12 VAL 32 HG12 VAL 32 -7.702 13.585 1.260 242 HG13 VAL 32 HG13 VAL 32 -6.845 15.018 0.668 243 HG21 VAL 32 HG21 VAL 32 -4.702 11.490 1.834 244 HG22 VAL 32 HG22 VAL 32 -6.454 11.558 1.866 245 HG23 VAL 32 HG23 VAL 32 -5.603 11.545 0.300 246 H ASP 33 H ASP 33 -3.495 14.578 3.040 247 HA ASP 33 HA ASP 33 -0.951 13.083 3.052 248 HB2 ASP 33 HB2 ASP 33 -1.450 15.214 4.368 249 HB3 ASP 33 HB3 ASP 33 -2.408 14.231 5.459 250 H VAL 34 H VAL 34 -0.524 11.142 4.219 251 HA VAL 34 HA VAL 34 -2.556 9.176 4.051 252 HB VAL 34 HB VAL 34 -0.136 8.755 3.893 253 HG11 VAL 34 HG11 VAL 34 -0.105 8.938 6.938 254 HG12 VAL 34 HG12 VAL 34 1.232 8.445 5.894 255 HG13 VAL 34 HG13 VAL 34 0.638 10.114 5.836 256 HG21 VAL 34 HG21 VAL 34 -1.783 6.916 4.270 257 HG22 VAL 34 HG22 VAL 34 -0.147 6.565 4.845 258 HG23 VAL 34 HG23 VAL 34 -1.416 6.994 6.005 259 H GLU 35 H GLU 35 -1.878 11.365 6.725 260 HA GLU 35 HA GLU 35 -3.194 9.698 8.740 261 HB2 GLU 35 HB2 GLU 35 -1.469 11.624 9.009 262 HB3 GLU 35 HB3 GLU 35 -2.862 12.695 8.873 263 HG2 GLU 35 HG2 GLU 35 -2.425 12.319 11.203 264 HG3 GLU 35 HG3 GLU 35 -3.909 11.459 10.795 265 H LEU 36 H LEU 36 -4.403 11.610 6.180 266 HA LEU 36 HA LEU 36 -7.025 12.204 7.456 267 HB2 LEU 36 HB2 LEU 36 -5.884 13.169 4.811 268 HB3 LEU 36 HB3 LEU 36 -7.244 13.854 5.691 269 HG LEU 36 HG LEU 36 -4.328 13.934 6.591 270 HD11 LEU 36 HD11 LEU 36 -4.831 15.319 4.619 271 HD12 LEU 36 HD12 LEU 36 -6.139 16.127 5.510 272 HD13 LEU 36 HD13 LEU 36 -4.448 16.303 6.042 273 HD21 LEU 36 HD21 LEU 36 -5.836 13.971 8.527 274 HD22 LEU 36 HD22 LEU 36 -5.088 15.553 8.260 275 HD23 LEU 36 HD23 LEU 36 -6.779 15.283 7.775 276 H VAL 37 H VAL 37 -5.823 9.836 5.389 277 HA VAL 37 HA VAL 37 -8.358 9.459 3.875 278 HB VAL 37 HB VAL 37 -6.379 9.145 2.558 279 HG11 VAL 37 HG11 VAL 37 -4.719 8.542 4.213 280 HG12 VAL 37 HG12 VAL 37 -5.515 6.976 4.507 281 HG13 VAL 37 HG13 VAL 37 -4.767 7.331 2.936 282 HG21 VAL 37 HG21 VAL 37 -7.616 6.422 3.123 283 HG22 VAL 37 HG22 VAL 37 -8.305 7.680 2.075 284 HG23 VAL 37 HG23 VAL 37 -6.756 6.931 1.662 285 H GLN 38 H GLN 38 -9.688 7.668 4.229 286 HA GLN 38 HA GLN 38 -9.331 6.299 6.875 287 HB2 GLN 38 HB2 GLN 38 -11.714 6.469 7.236 288 HB3 GLN 38 HB3 GLN 38 -11.034 8.080 7.051 289 HG2 GLN 38 HG2 GLN 38 -12.096 8.387 4.936 290 HG3 GLN 38 HG3 GLN 38 -12.305 6.659 4.670 291 HE21 GLN 38 HE22 GLN 38 -13.918 5.565 6.088 292 HE22 GLN 38 HE21 GLN 38 -15.282 6.574 6.532 293 H ARG 39 H ARG 39 -10.615 4.316 7.106 294 HA ARG 39 HA ARG 39 -10.418 2.632 4.694 295 HB2 ARG 39 HB2 ARG 39 -11.134 0.804 5.979 296 HB3 ARG 39 HB3 ARG 39 -9.918 1.688 6.903 297 HG2 ARG 39 HG2 ARG 39 -11.916 2.743 8.137 298 HG3 ARG 39 HG3 ARG 39 -12.926 1.529 7.346 299 HD2 ARG 39 HD2 ARG 39 -11.446 -0.287 8.244 300 HD3 ARG 39 HD3 ARG 39 -10.479 0.931 9.074 301 HE ARG 39 HE ARG 39 -12.114 1.185 10.706 302 HH11 ARG 39 HH11 ARG 39 -13.520 -0.900 8.212 303 HH12 ARG 39 HH12 ARG 39 -14.701 -1.517 9.354 304 HH21 ARG 39 HH21 ARG 39 -13.656 0.476 11.952 305 HH22 ARG 39 HH22 ARG 39 -14.967 -0.517 11.325 306 H GLY 40 H GLY 40 -12.033 2.200 3.286 307 HA2 GLY 40 HA2 GLY 40 -14.452 2.027 2.741 308 HA3 GLY 40 HA3 GLY 40 -14.688 3.503 3.675 309 H ASP 41 H ASP 41 -11.827 4.242 2.349 310 HA ASP 41 HA ASP 41 -12.984 5.728 0.105 311 HB2 ASP 41 HB2 ASP 41 -10.256 5.716 1.444 312 HB3 ASP 41 HB3 ASP 41 -10.672 6.736 0.076 313 H ILE 42 H ILE 42 -12.202 5.784 -2.026 314 HA ILE 42 HA ILE 42 -10.836 3.314 -3.033 315 HB ILE 42 HB ILE 42 -12.580 5.309 -4.492 316 HG12 ILE 42 HG12 ILE 42 -13.946 3.931 -3.036 317 HG13 ILE 42 HG13 ILE 42 -14.187 3.510 -4.720 318 HG21 ILE 42 HG21 ILE 42 -11.139 2.815 -5.471 319 HG22 ILE 42 HG22 ILE 42 -12.461 3.612 -6.356 320 HG23 ILE 42 HG23 ILE 42 -10.960 4.485 -6.047 321 HD11 ILE 42 HD11 ILE 42 -12.695 1.499 -4.393 322 HD12 ILE 42 HD12 ILE 42 -12.643 1.911 -2.656 323 HD13 ILE 42 HD13 ILE 42 -14.176 1.486 -3.431 324 H ILE 43 H ILE 43 -8.686 3.569 -3.429 325 HA ILE 43 HA ILE 43 -7.624 6.258 -4.035 326 HB ILE 43 HB ILE 43 -6.141 3.835 -2.959 327 HG12 ILE 43 HG12 ILE 43 -7.938 4.121 -1.369 328 HG13 ILE 43 HG13 ILE 43 -6.392 4.562 -0.680 329 HG21 ILE 43 HG21 ILE 43 -4.603 5.534 -2.018 330 HG22 ILE 43 HG22 ILE 43 -4.715 5.639 -3.777 331 HG23 ILE 43 HG23 ILE 43 -5.576 6.817 -2.771 332 HD11 ILE 43 HD11 ILE 43 -8.407 6.599 -1.715 333 HD12 ILE 43 HD12 ILE 43 -8.254 6.076 -0.031 334 HD13 ILE 43 HD13 ILE 43 -6.905 6.920 -0.811 335 H LYS 44 H LYS 44 -6.665 6.630 -5.989 336 HA LYS 44 HA LYS 44 -5.914 4.357 -7.714 337 HB2 LYS 44 HB2 LYS 44 -7.179 6.440 -8.443 338 HB3 LYS 44 HB3 LYS 44 -5.615 7.267 -8.417 339 HG2 LYS 44 HG2 LYS 44 -4.692 5.654 -10.018 340 HG3 LYS 44 HG3 LYS 44 -6.154 4.659 -9.949 341 HD2 LYS 44 HD2 LYS 44 -6.177 7.539 -10.849 342 HD3 LYS 44 HD3 LYS 44 -5.871 6.191 -11.953 343 HE2 LYS 44 HE2 LYS 44 -8.048 5.246 -11.611 344 HE3 LYS 44 HE3 LYS 44 -8.395 6.326 -10.255 345 HZ1 LYS 44 HZ1 LYS 44 -8.146 8.189 -11.923 346 HZ2 LYS 44 HZ2 LYS 44 -8.131 7.063 -13.127 347 HZ3 LYS 44 HZ3 LYS 44 -9.458 7.252 -12.191 348 H VAL 45 H VAL 45 -3.938 3.654 -8.260 349 HA VAL 45 HA VAL 45 -1.542 5.071 -7.193 350 HB VAL 45 HB VAL 45 -2.289 3.058 -5.927 351 HG11 VAL 45 HG11 VAL 45 -1.451 1.493 -8.388 352 HG12 VAL 45 HG12 VAL 45 -1.868 0.836 -6.804 353 HG13 VAL 45 HG13 VAL 45 -3.105 1.673 -7.738 354 HG21 VAL 45 HG21 VAL 45 0.069 3.755 -5.815 355 HG22 VAL 45 HG22 VAL 45 -0.088 1.992 -5.753 356 HG23 VAL 45 HG23 VAL 45 0.443 2.776 -7.255 357 H VAL 46 H VAL 46 0.128 5.428 -8.502 358 HA VAL 46 HA VAL 46 -0.306 4.853 -11.388 359 HB VAL 46 HB VAL 46 0.836 6.907 -11.829 360 HG11 VAL 46 HG11 VAL 46 -1.017 7.406 -9.481 361 HG12 VAL 46 HG12 VAL 46 -0.625 8.502 -10.813 362 HG13 VAL 46 HG13 VAL 46 -1.543 7.024 -11.139 363 HG21 VAL 46 HG21 VAL 46 1.438 7.155 -8.871 364 HG22 VAL 46 HG22 VAL 46 2.632 6.833 -10.134 365 HG23 VAL 46 HG23 VAL 46 1.761 8.370 -10.115 366 HA PRO 47 HA PRO 47 3.598 2.819 -12.254 367 HB2 PRO 47 HB2 PRO 47 4.310 5.255 -13.925 368 HB3 PRO 47 HB3 PRO 47 4.579 3.528 -14.309 369 HG2 PRO 47 HG2 PRO 47 2.460 4.773 -15.386 370 HG3 PRO 47 HG3 PRO 47 2.209 3.172 -14.609 371 HD2 PRO 47 HD2 PRO 47 1.713 5.917 -13.457 372 HD3 PRO 47 HD3 PRO 47 0.629 4.491 -13.434 373 H GLY 48 H GLY 48 5.512 2.686 -11.185 374 HA2 GLY 48 HA2 GLY 48 7.329 3.242 -9.855 375 HA3 GLY 48 HA3 GLY 48 7.103 4.934 -10.277 376 H GLY 49 H GLY 49 4.158 4.355 -9.082 377 HA2 GLY 49 HA2 GLY 49 4.689 5.795 -6.660 378 HA3 GLY 49 HA3 GLY 49 3.132 5.171 -7.197 379 H LYS 50 H LYS 50 3.850 5.245 -4.535 380 HA LYS 50 HA LYS 50 4.377 2.388 -3.763 381 HB2 LYS 50 HB2 LYS 50 4.624 4.988 -2.217 382 HB3 LYS 50 HB3 LYS 50 4.779 3.372 -1.496 383 HG2 LYS 50 HG2 LYS 50 6.720 2.867 -2.829 384 HG3 LYS 50 HG3 LYS 50 6.600 4.405 -3.710 385 HD2 LYS 50 HD2 LYS 50 7.015 5.686 -1.705 386 HD3 LYS 50 HD3 LYS 50 6.887 4.242 -0.679 387 HE2 LYS 50 HE2 LYS 50 8.903 3.293 -1.676 388 HE3 LYS 50 HE3 LYS 50 9.051 4.663 -2.784 389 HZ1 LYS 50 HZ1 LYS 50 9.022 5.002 0.176 390 HZ2 LYS 50 HZ2 LYS 50 10.415 4.817 -0.653 391 HZ3 LYS 50 HZ3 LYS 50 9.439 6.117 -0.931 392 H PHE 51 H PHE 51 3.101 1.359 -2.224 393 HA PHE 51 HA PHE 51 0.288 2.237 -2.087 394 HB2 PHE 51 HB2 PHE 51 1.702 -0.281 -1.191 395 HB3 PHE 51 HB3 PHE 51 -0.011 0.027 -0.937 396 HD1 PHE 51 HD1 PHE 51 -1.611 0.044 -2.803 397 HD2 PHE 51 HD2 PHE 51 2.569 -0.713 -3.485 398 HE1 PHE 51 HE1 PHE 51 -2.105 -0.749 -5.098 399 HE2 PHE 51 HE2 PHE 51 2.076 -1.468 -5.782 400 HZ PHE 51 HZ PHE 51 -0.270 -1.486 -6.605 401 HA PRO 52 HA PRO 52 1.255 3.976 2.006 402 HB2 PRO 52 HB2 PRO 52 -0.907 5.574 2.372 403 HB3 PRO 52 HB3 PRO 52 0.339 5.938 1.145 404 HG2 PRO 52 HG2 PRO 52 -2.334 4.571 0.733 405 HG3 PRO 52 HG3 PRO 52 -1.613 5.907 -0.217 406 HD2 PRO 52 HD2 PRO 52 -1.450 3.267 -0.978 407 HD3 PRO 52 HD3 PRO 52 -0.167 4.461 -1.339 408 H VAL 53 H VAL 53 -1.248 1.744 1.377 409 HA VAL 53 HA VAL 53 -1.608 0.912 4.092 410 HB VAL 53 HB VAL 53 -4.114 0.966 4.036 411 HG11 VAL 53 HG11 VAL 53 -2.882 3.737 4.208 412 HG12 VAL 53 HG12 VAL 53 -4.359 3.148 4.993 413 HG13 VAL 53 HG13 VAL 53 -2.786 2.497 5.478 414 HG21 VAL 53 HG21 VAL 53 -3.754 3.164 1.970 415 HG22 VAL 53 HG22 VAL 53 -4.388 1.535 1.625 416 HG23 VAL 53 HG23 VAL 53 -5.272 2.628 2.712 417 H ASP 54 H ASP 54 -3.259 -1.089 3.981 418 HA ASP 54 HA ASP 54 -2.635 -2.518 1.428 419 HB2 ASP 54 HB2 ASP 54 -2.576 -4.553 2.560 420 HB3 ASP 54 HB3 ASP 54 -1.562 -3.430 3.456 421 H GLY 55 H GLY 55 -4.153 -3.785 0.352 422 HA2 GLY 55 HA2 GLY 55 -6.920 -4.001 1.060 423 HA3 GLY 55 HA3 GLY 55 -6.686 -2.529 0.121 424 H ARG 56 H ARG 56 -8.151 -3.518 -1.352 425 HA ARG 56 HA ARG 56 -7.040 -5.710 -3.072 426 HB2 ARG 56 HB2 ARG 56 -8.916 -6.409 -1.763 427 HB3 ARG 56 HB3 ARG 56 -9.879 -5.033 -2.284 428 HG2 ARG 56 HG2 ARG 56 -9.953 -5.902 -4.582 429 HG3 ARG 56 HG3 ARG 56 -8.917 -7.270 -4.120 430 HD2 ARG 56 HD2 ARG 56 -10.578 -8.127 -2.599 431 HD3 ARG 56 HD3 ARG 56 -11.577 -6.683 -2.783 432 HE ARG 56 HE ARG 56 -12.371 -7.411 -4.838 433 HH11 ARG 56 HH11 ARG 56 -10.163 -9.883 -3.589 434 HH12 ARG 56 HH12 ARG 56 -10.865 -11.039 -4.668 435 HH21 ARG 56 HH21 ARG 56 -13.042 -8.938 -6.179 436 HH22 ARG 56 HH22 ARG 56 -12.308 -10.532 -6.174 437 H VAL 57 H VAL 57 -7.138 -5.650 -5.225 438 HA VAL 57 HA VAL 57 -7.167 -2.991 -6.552 439 HB VAL 57 HB VAL 57 -6.239 -5.715 -7.578 440 HG11 VAL 57 HG11 VAL 57 -5.733 -2.889 -8.596 441 HG12 VAL 57 HG12 VAL 57 -4.984 -4.373 -9.239 442 HG13 VAL 57 HG13 VAL 57 -6.717 -4.139 -9.391 443 HG21 VAL 57 HG21 VAL 57 -4.815 -5.093 -5.664 444 HG22 VAL 57 HG22 VAL 57 -3.939 -5.029 -7.194 445 HG23 VAL 57 HG23 VAL 57 -4.481 -3.527 -6.433 446 H ILE 58 H ILE 58 -8.910 -2.468 -7.844 447 HA ILE 58 HA ILE 58 -10.421 -4.669 -9.192 448 HB ILE 58 HB ILE 58 -12.573 -3.356 -8.522 449 HG12 ILE 58 HG12 ILE 58 -10.838 -2.600 -6.146 450 HG13 ILE 58 HG13 ILE 58 -11.139 -1.467 -7.480 451 HG21 ILE 58 HG21 ILE 58 -11.993 -5.662 -7.809 452 HG22 ILE 58 HG22 ILE 58 -11.162 -4.987 -6.390 453 HG23 ILE 58 HG23 ILE 58 -12.909 -4.758 -6.600 454 HD11 ILE 58 HD11 ILE 58 -12.693 -0.979 -5.704 455 HD12 ILE 58 HD12 ILE 58 -13.577 -1.618 -7.099 456 HD13 ILE 58 HD13 ILE 58 -13.282 -2.654 -5.676 457 H GLU 59 H GLU 59 -8.524 -2.631 -10.191 458 HA GLU 59 HA GLU 59 -9.942 -2.375 -12.690 459 HB2 GLU 59 HB2 GLU 59 -10.536 -0.170 -11.350 460 HB3 GLU 59 HB3 GLU 59 -8.845 0.251 -11.635 461 HG2 GLU 59 HG2 GLU 59 -9.260 -0.158 -14.118 462 HG3 GLU 59 HG3 GLU 59 -10.971 -0.320 -13.736 463 H GLY 60 H GLY 60 -8.382 -2.798 -14.247 464 HA2 GLY 60 HA2 GLY 60 -6.431 -2.325 -15.421 465 HA3 GLY 60 HA3 GLY 60 -5.816 -1.454 -14.027 466 H HIS 61 H HIS 61 -3.882 -2.490 -14.878 467 HA HIS 61 HA HIS 61 -3.219 -4.914 -13.397 468 HB2 HIS 61 HB2 HIS 61 -2.414 -6.227 -15.298 469 HB3 HIS 61 HB3 HIS 61 -4.151 -6.014 -15.280 470 HD1 HIS 61 HD1 HIS 61 -5.221 -5.035 -17.459 471 HD2 HIS 61 HD2 HIS 61 -1.022 -4.793 -17.240 472 HE1 HIS 61 HE1 HIS 61 -4.408 -4.412 -19.804 473 H SER 62 H SER 62 -1.310 -4.809 -12.660 474 HA SER 62 HA SER 62 0.934 -3.390 -13.969 475 HB2 SER 62 HB2 SER 62 -0.449 -1.827 -12.350 476 HB3 SER 62 HB3 SER 62 0.495 -2.592 -11.092 477 HG SER 62 HG SER 62 1.281 -0.648 -12.382 478 H MET 63 H MET 63 3.045 -3.568 -12.623 479 HA MET 63 HA MET 63 3.121 -6.251 -11.313 480 HB2 MET 63 HB2 MET 63 4.152 -6.194 -13.513 481 HB3 MET 63 HB3 MET 63 5.238 -4.897 -13.007 482 HG2 MET 63 HG2 MET 63 6.383 -6.275 -11.494 483 HG3 MET 63 HG3 MET 63 5.128 -7.520 -11.494 484 HE1 MET 63 HE1 MET 63 4.399 -8.434 -14.221 485 HE2 MET 63 HE2 MET 63 5.680 -9.612 -14.596 486 HE3 MET 63 HE3 MET 63 5.025 -9.506 -12.948 487 H VAL 64 H VAL 64 3.662 -6.283 -9.253 488 HA VAL 64 HA VAL 64 4.664 -3.777 -7.980 489 HB VAL 64 HB VAL 64 2.883 -5.948 -6.843 490 HG11 VAL 64 HG11 VAL 64 3.920 -3.350 -5.618 491 HG12 VAL 64 HG12 VAL 64 2.568 -4.282 -4.971 492 HG13 VAL 64 HG13 VAL 64 4.179 -5.006 -5.016 493 HG21 VAL 64 HG21 VAL 64 1.710 -4.507 -8.476 494 HG22 VAL 64 HG22 VAL 64 1.177 -4.128 -6.834 495 HG23 VAL 64 HG23 VAL 64 2.326 -3.058 -7.665 496 H ASP 65 H ASP 65 6.286 -3.759 -6.547 497 HA ASP 65 HA ASP 65 7.888 -6.255 -6.196 498 HB2 ASP 65 HB2 ASP 65 9.002 -4.428 -7.416 499 HB3 ASP 65 HB3 ASP 65 8.769 -3.356 -6.032 500 H GLU 66 H GLU 66 7.484 -7.195 -4.386 501 HA GLU 66 HA GLU 66 6.846 -5.708 -1.876 502 HB2 GLU 66 HB2 GLU 66 5.145 -7.515 -1.472 503 HB3 GLU 66 HB3 GLU 66 4.777 -6.363 -2.749 504 HG2 GLU 66 HG2 GLU 66 5.344 -7.999 -4.480 505 HG3 GLU 66 HG3 GLU 66 5.874 -9.156 -3.258 506 H SER 67 H SER 67 9.258 -7.277 -2.967 507 HA SER 67 HA SER 67 9.719 -9.655 -1.780 508 HB2 SER 67 HB2 SER 67 12.097 -9.250 -2.008 509 HB3 SER 67 HB3 SER 67 11.226 -8.580 -3.388 510 HG SER 67 HG SER 67 12.920 -7.272 -2.368 511 H LEU 68 H LEU 68 9.919 -6.656 0.117 512 HA LEU 68 HA LEU 68 11.248 -8.030 2.382 513 HB2 LEU 68 HB2 LEU 68 11.602 -5.612 1.642 514 HB3 LEU 68 HB3 LEU 68 9.988 -5.256 2.209 515 HG LEU 68 HG LEU 68 11.707 -4.440 3.670 516 HD11 LEU 68 HD11 LEU 68 10.891 -5.069 5.790 517 HD12 LEU 68 HD12 LEU 68 9.518 -5.179 4.679 518 HD13 LEU 68 HD13 LEU 68 10.356 -6.650 5.228 519 HD21 LEU 68 HD21 LEU 68 13.464 -6.105 3.308 520 HD22 LEU 68 HD22 LEU 68 13.160 -5.774 5.026 521 HD23 LEU 68 HD23 LEU 68 12.547 -7.274 4.288 522 H ILE 69 H ILE 69 8.011 -7.193 1.319 523 HA ILE 69 HA ILE 69 6.805 -7.575 3.969 524 HB ILE 69 HB ILE 69 5.239 -7.351 1.387 525 HG12 ILE 69 HG12 ILE 69 6.625 -5.415 1.230 526 HG13 ILE 69 HG13 ILE 69 5.026 -4.929 1.752 527 HG21 ILE 69 HG21 ILE 69 4.674 -6.780 4.332 528 HG22 ILE 69 HG22 ILE 69 3.592 -6.319 3.018 529 HG23 ILE 69 HG23 ILE 69 3.940 -8.026 3.305 530 HD11 ILE 69 HD11 ILE 69 7.545 -5.019 3.424 531 HD12 ILE 69 HD12 ILE 69 6.526 -3.622 3.004 532 HD13 ILE 69 HD13 ILE 69 5.930 -4.852 4.135 533 H THR 70 H THR 70 6.348 -9.254 0.796 534 HA THR 70 HA THR 70 5.263 -11.614 2.190 535 HB THR 70 HB THR 70 4.697 -12.331 -0.163 536 HG1 THR 70 HG1 THR 70 4.725 -10.462 -1.619 537 HG21 THR 70 HG21 THR 70 3.118 -11.084 1.352 538 HG22 THR 70 HG22 THR 70 3.662 -9.569 0.592 539 HG23 THR 70 HG23 THR 70 2.845 -10.820 -0.373 540 H GLY 71 H GLY 71 8.274 -10.722 1.247 541 HA2 GLY 71 HA2 GLY 71 10.287 -11.888 1.706 542 HA3 GLY 71 HA3 GLY 71 9.364 -13.370 1.998 543 H GLU 72 H GLU 72 8.830 -11.595 -0.891 544 HA GLU 72 HA GLU 72 9.716 -13.758 -2.675 545 HB2 GLU 72 HB2 GLU 72 8.514 -10.995 -3.143 546 HB3 GLU 72 HB3 GLU 72 8.852 -12.130 -4.433 547 HG2 GLU 72 HG2 GLU 72 6.926 -12.619 -2.123 548 HG3 GLU 72 HG3 GLU 72 6.475 -12.149 -3.757 549 H ALA 73 H ALA 73 10.726 -12.383 -4.801 550 HA ALA 73 HA ALA 73 13.029 -10.742 -4.092 551 HB1 ALA 73 HB1 ALA 73 13.939 -13.041 -3.725 552 HB2 ALA 73 HB2 ALA 73 13.484 -13.469 -5.388 553 HB3 ALA 73 HB3 ALA 73 14.714 -12.225 -5.091 554 H MET 74 H MET 74 11.170 -12.553 -6.515 555 HA MET 74 HA MET 74 11.804 -10.693 -8.719 556 HB2 MET 74 HB2 MET 74 9.820 -12.984 -8.526 557 HB3 MET 74 HB3 MET 74 10.240 -12.095 -9.991 558 HG2 MET 74 HG2 MET 74 12.145 -13.810 -8.345 559 HG3 MET 74 HG3 MET 74 11.365 -14.286 -9.845 560 HE1 MET 74 HE1 MET 74 15.197 -13.965 -10.735 561 HE2 MET 74 HE2 MET 74 14.543 -14.406 -9.142 562 HE3 MET 74 HE3 MET 74 13.805 -15.065 -10.621 563 HA PRO 75 HA PRO 75 8.083 -8.190 -8.007 564 HB2 PRO 75 HB2 PRO 75 7.961 -8.086 -11.002 565 HB3 PRO 75 HB3 PRO 75 7.873 -6.734 -9.820 566 HG2 PRO 75 HG2 PRO 75 10.137 -7.179 -11.241 567 HG3 PRO 75 HG3 PRO 75 10.235 -6.800 -9.487 568 HD2 PRO 75 HD2 PRO 75 10.396 -9.537 -10.812 569 HD3 PRO 75 HD3 PRO 75 11.412 -8.813 -9.536 570 H VAL 76 H VAL 76 5.782 -8.266 -8.369 571 HA VAL 76 HA VAL 76 4.691 -10.894 -9.337 572 HB VAL 76 HB VAL 76 3.880 -9.184 -6.952 573 HG11 VAL 76 HG11 VAL 76 1.882 -10.271 -7.881 574 HG12 VAL 76 HG12 VAL 76 2.735 -11.831 -7.945 575 HG13 VAL 76 HG13 VAL 76 2.363 -11.063 -6.387 576 HG21 VAL 76 HG21 VAL 76 5.956 -10.461 -6.529 577 HG22 VAL 76 HG22 VAL 76 4.611 -11.121 -5.603 578 HG23 VAL 76 HG23 VAL 76 5.160 -11.952 -7.075 579 H ALA 77 H ALA 77 3.106 -10.835 -10.834 580 HA ALA 77 HA ALA 77 2.004 -8.328 -11.774 581 HB1 ALA 77 HB1 ALA 77 1.367 -11.220 -12.482 582 HB2 ALA 77 HB2 ALA 77 0.849 -9.791 -13.395 583 HB3 ALA 77 HB3 ALA 77 2.574 -10.184 -13.275 584 H LYS 78 H LYS 78 0.191 -7.328 -11.281 585 HA LYS 78 HA LYS 78 -2.009 -8.665 -9.726 586 HB2 LYS 78 HB2 LYS 78 -1.366 -5.701 -9.913 587 HB3 LYS 78 HB3 LYS 78 -2.553 -6.449 -8.863 588 HG2 LYS 78 HG2 LYS 78 0.480 -6.690 -8.656 589 HG3 LYS 78 HG3 LYS 78 -0.569 -5.713 -7.643 590 HD2 LYS 78 HD2 LYS 78 -1.642 -7.704 -6.700 591 HD3 LYS 78 HD3 LYS 78 -0.636 -8.758 -7.715 592 HE2 LYS 78 HE2 LYS 78 1.395 -8.022 -6.596 593 HE3 LYS 78 HE3 LYS 78 0.514 -6.770 -5.714 594 HZ1 LYS 78 HZ1 LYS 78 0.078 -9.687 -5.303 595 HZ2 LYS 78 HZ2 LYS 78 0.948 -8.687 -4.323 596 HZ3 LYS 78 HZ3 LYS 78 -0.674 -8.476 -4.509 597 H LYS 79 H LYS 79 -4.214 -8.127 -10.284 598 HA LYS 79 HA LYS 79 -4.847 -7.032 -12.962 599 HB2 LYS 79 HB2 LYS 79 -4.997 -9.908 -11.989 600 HB3 LYS 79 HB3 LYS 79 -6.349 -9.331 -12.925 601 HG2 LYS 79 HG2 LYS 79 -4.687 -8.528 -14.690 602 HG3 LYS 79 HG3 LYS 79 -3.442 -9.397 -13.800 603 HD2 LYS 79 HD2 LYS 79 -5.946 -10.604 -15.073 604 HD3 LYS 79 HD3 LYS 79 -4.302 -10.682 -15.718 605 HE2 LYS 79 HE2 LYS 79 -3.617 -11.908 -13.599 606 HE3 LYS 79 HE3 LYS 79 -5.323 -11.973 -13.156 607 HZ1 LYS 79 HZ1 LYS 79 -4.669 -13.988 -14.273 608 HZ2 LYS 79 HZ2 LYS 79 -5.709 -13.179 -15.285 609 HZ3 LYS 79 HZ3 LYS 79 -4.091 -13.197 -15.579 610 HA PRO 80 HA PRO 80 -8.552 -5.858 -10.651 611 HB2 PRO 80 HB2 PRO 80 -10.764 -6.554 -12.104 612 HB3 PRO 80 HB3 PRO 80 -9.679 -5.202 -12.555 613 HG2 PRO 80 HG2 PRO 80 -9.660 -8.038 -13.630 614 HG3 PRO 80 HG3 PRO 80 -9.613 -6.508 -14.556 615 HD2 PRO 80 HD2 PRO 80 -7.352 -7.889 -14.010 616 HD3 PRO 80 HD3 PRO 80 -7.375 -6.117 -13.990 617 H GLY 81 H GLY 81 -9.360 -6.811 -8.869 618 HA2 GLY 81 HA2 GLY 81 -10.268 -8.447 -7.477 619 HA3 GLY 81 HA3 GLY 81 -10.103 -9.675 -8.728 620 H SER 82 H SER 82 -7.401 -7.550 -7.675 621 HA SER 82 HA SER 82 -5.945 -9.964 -6.620 622 HB2 SER 82 HB2 SER 82 -4.862 -7.517 -8.057 623 HB3 SER 82 HB3 SER 82 -3.871 -8.740 -7.275 624 HG SER 82 HG SER 82 -4.988 -10.304 -8.697 625 H THR 83 H THR 83 -4.054 -9.117 -4.952 626 HA THR 83 HA THR 83 -5.217 -6.926 -3.297 627 HB THR 83 HB THR 83 -4.743 -8.171 -1.275 628 HG1 THR 83 HG1 THR 83 -3.482 -9.776 -1.441 629 HG21 THR 83 HG21 THR 83 -7.025 -8.331 -2.246 630 HG22 THR 83 HG22 THR 83 -6.534 -9.793 -3.133 631 HG23 THR 83 HG23 THR 83 -6.550 -9.796 -1.364 632 H VAL 84 H VAL 84 -3.858 -5.761 -2.021 633 HA VAL 84 HA VAL 84 -0.936 -5.981 -2.586 634 HB VAL 84 HB VAL 84 -0.939 -3.476 -2.863 635 HG11 VAL 84 HG11 VAL 84 -2.443 -5.088 -4.961 636 HG12 VAL 84 HG12 VAL 84 -1.618 -3.541 -5.229 637 HG13 VAL 84 HG13 VAL 84 -0.684 -4.973 -4.774 638 HG21 VAL 84 HG21 VAL 84 -3.206 -3.002 -1.920 639 HG22 VAL 84 HG22 VAL 84 -2.985 -2.339 -3.540 640 HG23 VAL 84 HG23 VAL 84 -3.940 -3.810 -3.322 641 H ILE 85 H ILE 85 0.458 -5.101 -1.155 642 HA ILE 85 HA ILE 85 -0.615 -4.417 1.534 643 HB ILE 85 HB ILE 85 1.942 -5.158 2.097 644 HG12 ILE 85 HG12 ILE 85 2.289 -7.444 1.214 645 HG13 ILE 85 HG13 ILE 85 0.971 -7.218 0.069 646 HG21 ILE 85 HG21 ILE 85 -0.504 -6.943 2.168 647 HG22 ILE 85 HG22 ILE 85 0.967 -7.109 3.156 648 HG23 ILE 85 HG23 ILE 85 -0.075 -5.701 3.371 649 HD11 ILE 85 HD11 ILE 85 3.035 -6.868 -1.077 650 HD12 ILE 85 HD12 ILE 85 2.314 -5.264 -0.906 651 HD13 ILE 85 HD13 ILE 85 3.635 -5.745 0.165 652 H ALA 86 H ALA 86 0.344 -2.918 2.824 653 HA ALA 86 HA ALA 86 1.130 -0.549 1.508 654 HB1 ALA 86 HB1 ALA 86 1.470 -1.254 4.455 655 HB2 ALA 86 HB2 ALA 86 1.324 0.369 3.748 656 HB3 ALA 86 HB3 ALA 86 -0.058 -0.738 3.724 657 H GLY 87 H GLY 87 3.023 0.520 1.299 658 HA2 GLY 87 HA2 GLY 87 5.257 1.026 1.413 659 HA3 GLY 87 HA3 GLY 87 5.567 -0.406 2.416 660 H SER 88 H SER 88 3.909 -1.445 -0.316 661 HA SER 88 HA SER 88 6.379 -2.382 -1.644 662 HB2 SER 88 HB2 SER 88 4.917 -3.755 -3.001 663 HB3 SER 88 HB3 SER 88 4.625 -4.034 -1.284 664 HG SER 88 HG SER 88 2.683 -2.958 -1.440 665 H ILE 89 H ILE 89 6.557 -2.150 -3.978 666 HA ILE 89 HA ILE 89 5.762 0.612 -4.823 667 HB ILE 89 HB ILE 89 8.137 -0.661 -6.074 668 HG12 ILE 89 HG12 ILE 89 8.632 -1.304 -3.779 669 HG13 ILE 89 HG13 ILE 89 9.740 -0.114 -4.421 670 HG21 ILE 89 HG21 ILE 89 7.599 2.153 -5.022 671 HG22 ILE 89 HG22 ILE 89 8.952 1.626 -6.038 672 HG23 ILE 89 HG23 ILE 89 7.313 1.595 -6.683 673 HD11 ILE 89 HD11 ILE 89 8.811 1.647 -3.074 674 HD12 ILE 89 HD12 ILE 89 7.472 0.613 -2.526 675 HD13 ILE 89 HD13 ILE 89 9.132 0.251 -2.035 676 H ASN 90 H ASN 90 4.933 1.006 -6.808 677 HA ASN 90 HA ASN 90 4.054 -1.281 -8.458 678 HB2 ASN 90 HB2 ASN 90 2.625 0.684 -7.512 679 HB3 ASN 90 HB3 ASN 90 3.365 1.662 -8.771 680 HD21 ASN 90 HD22 ASN 90 1.624 1.966 -10.114 681 HD22 ASN 90 HD21 ASN 90 0.666 0.670 -10.820 682 H GLN 91 H GLN 91 4.558 -1.554 -10.700 683 HA GLN 91 HA GLN 91 7.001 -0.185 -11.606 684 HB2 GLN 91 HB2 GLN 91 6.942 -2.633 -11.603 685 HB3 GLN 91 HB3 GLN 91 5.588 -2.599 -12.709 686 HG2 GLN 91 HG2 GLN 91 7.362 -3.051 -14.117 687 HG3 GLN 91 HG3 GLN 91 7.245 -1.309 -14.315 688 HE21 GLN 91 HE22 GLN 91 8.828 0.012 -12.737 689 HE22 GLN 91 HE21 GLN 91 10.384 -0.758 -12.525 690 H ASN 92 H ASN 92 4.621 -1.338 -13.971 691 HA ASN 92 HA ASN 92 3.726 1.400 -14.598 692 HB2 ASN 92 HB2 ASN 92 5.677 0.802 -16.106 693 HB3 ASN 92 HB3 ASN 92 4.698 -0.509 -16.764 694 HD21 ASN 92 HD22 ASN 92 2.782 0.038 -18.074 695 HD22 ASN 92 HD21 ASN 92 2.536 1.697 -18.587 696 H GLY 93 H GLY 93 1.437 1.374 -15.437 697 HA2 GLY 93 HA2 GLY 93 -0.421 0.052 -15.859 698 HA3 GLY 93 HA3 GLY 93 0.122 -1.132 -14.657 699 H SER 94 H SER 94 -1.873 1.494 -15.158 700 HA SER 94 HA SER 94 -1.689 2.657 -12.456 701 HB2 SER 94 HB2 SER 94 -3.538 3.378 -14.745 702 HB3 SER 94 HB3 SER 94 -3.194 4.332 -13.289 703 HG SER 94 HG SER 94 -2.038 5.036 -15.093 704 H LEU 95 H LEU 95 -2.824 1.829 -10.809 705 HA LEU 95 HA LEU 95 -5.192 0.083 -11.398 706 HB2 LEU 95 HB2 LEU 95 -3.111 0.013 -9.216 707 HB3 LEU 95 HB3 LEU 95 -4.511 -1.042 -9.253 708 HG LEU 95 HG LEU 95 -2.177 -0.975 -11.209 709 HD11 LEU 95 HD11 LEU 95 -1.619 -3.163 -10.161 710 HD12 LEU 95 HD12 LEU 95 -1.542 -1.833 -9.001 711 HD13 LEU 95 HD13 LEU 95 -2.938 -2.936 -8.996 712 HD21 LEU 95 HD21 LEU 95 -3.172 -3.164 -11.936 713 HD22 LEU 95 HD22 LEU 95 -4.625 -2.771 -11.015 714 HD23 LEU 95 HD23 LEU 95 -4.135 -1.728 -12.360 715 H LEU 96 H LEU 96 -6.923 0.014 -9.974 716 HA LEU 96 HA LEU 96 -7.193 2.362 -8.147 717 HB2 LEU 96 HB2 LEU 96 -8.598 2.222 -10.318 718 HB3 LEU 96 HB3 LEU 96 -9.494 0.942 -9.494 719 HG LEU 96 HG LEU 96 -10.222 2.528 -7.776 720 HD11 LEU 96 HD11 LEU 96 -9.771 5.000 -8.158 721 HD12 LEU 96 HD12 LEU 96 -8.426 4.056 -7.520 722 HD13 LEU 96 HD13 LEU 96 -8.458 4.482 -9.245 723 HD21 LEU 96 HD21 LEU 96 -11.498 2.333 -9.903 724 HD22 LEU 96 HD22 LEU 96 -11.619 3.954 -9.206 725 HD23 LEU 96 HD23 LEU 96 -10.540 3.665 -10.589 726 H ILE 97 H ILE 97 -7.222 1.901 -6.095 727 HA ILE 97 HA ILE 97 -7.636 -0.898 -5.202 728 HB ILE 97 HB ILE 97 -6.189 1.299 -3.711 729 HG12 ILE 97 HG12 ILE 97 -5.042 1.341 -5.825 730 HG13 ILE 97 HG13 ILE 97 -4.043 0.662 -4.563 731 HG21 ILE 97 HG21 ILE 97 -5.934 -1.732 -3.650 732 HG22 ILE 97 HG22 ILE 97 -4.970 -0.593 -2.686 733 HG23 ILE 97 HG23 ILE 97 -6.714 -0.712 -2.431 734 HD11 ILE 97 HD11 ILE 97 -5.525 -0.995 -6.648 735 HD12 ILE 97 HD12 ILE 97 -3.809 -0.538 -6.705 736 HD13 ILE 97 HD13 ILE 97 -4.395 -1.590 -5.406 737 H CYS 98 H CYS 98 -9.287 -1.368 -3.736 738 HA CYS 98 HA CYS 98 -10.652 0.920 -2.403 739 HB2 CYS 98 HB2 CYS 98 -12.313 -0.695 -1.654 740 HB3 CYS 98 HB3 CYS 98 -12.156 -0.622 -3.411 741 HG CYS 98 HG CYS 98 -12.688 -3.054 -2.767 742 H ALA 99 H ALA 99 -9.918 1.691 -0.523 743 HA ALA 99 HA ALA 99 -8.020 0.088 1.032 744 HB1 ALA 99 HB1 ALA 99 -7.500 2.421 0.505 745 HB2 ALA 99 HB2 ALA 99 -9.001 2.960 1.296 746 HB3 ALA 99 HB3 ALA 99 -7.712 2.209 2.256 747 H THR 100 H THR 100 -8.657 -1.158 2.632 748 HA THR 100 HA THR 100 -11.105 -0.436 4.195 749 HB THR 100 HB THR 100 -11.426 -2.304 2.614 750 HG1 THR 100 HG1 THR 100 -12.542 -3.490 4.160 751 HG21 THR 100 HG21 THR 100 -10.626 -4.493 3.111 752 HG22 THR 100 HG22 THR 100 -9.204 -3.453 2.991 753 HG23 THR 100 HG23 THR 100 -9.809 -3.948 4.593 754 H HIS 101 H HIS 101 -7.888 -0.265 4.610 755 HA HIS 101 HA HIS 101 -8.125 -0.807 7.509 756 HB2 HIS 101 HB2 HIS 101 -5.688 -1.269 5.752 757 HB3 HIS 101 HB3 HIS 101 -5.854 -1.636 7.460 758 HD1 HIS 101 HD1 HIS 101 -6.251 -3.170 4.123 759 HD2 HIS 101 HD2 HIS 101 -7.645 -3.755 8.051 760 HE1 HIS 101 HE1 HIS 101 -7.053 -5.588 4.239 761 H VAL 102 H VAL 102 -7.344 0.771 8.778 762 HA VAL 102 HA VAL 102 -6.015 3.135 7.562 763 HB VAL 102 HB VAL 102 -8.108 3.300 8.949 764 HG11 VAL 102 HG11 VAL 102 -6.273 2.739 11.308 765 HG12 VAL 102 HG12 VAL 102 -7.972 3.245 11.362 766 HG13 VAL 102 HG13 VAL 102 -7.558 1.670 10.695 767 HG21 VAL 102 HG21 VAL 102 -5.800 4.954 10.012 768 HG22 VAL 102 HG22 VAL 102 -6.738 5.259 8.526 769 HG23 VAL 102 HG23 VAL 102 -7.527 5.317 10.103 770 H GLY 103 H GLY 103 -4.225 4.205 9.328 771 HA2 GLY 103 HA2 GLY 103 -2.011 2.566 8.725 772 HA3 GLY 103 HA3 GLY 103 -2.026 4.014 9.716 773 H ALA 104 H ALA 104 -3.862 2.842 11.789 774 HA ALA 104 HA ALA 104 -1.972 1.542 13.482 775 HB1 ALA 104 HB1 ALA 104 -5.021 1.618 13.597 776 HB2 ALA 104 HB2 ALA 104 -3.936 1.207 14.945 777 HB3 ALA 104 HB3 ALA 104 -3.918 2.839 14.272 778 H ASP 105 H ASP 105 -4.078 0.157 11.047 779 HA ASP 105 HA ASP 105 -4.041 -2.596 12.127 780 HB2 ASP 105 HB2 ASP 105 -5.972 -1.723 10.870 781 HB3 ASP 105 HB3 ASP 105 -4.943 -1.514 9.451 782 H THR 106 H THR 106 -1.740 -0.694 10.435 783 HA THR 106 HA THR 106 -1.160 -2.471 8.277 784 HB THR 106 HB THR 106 0.853 -1.105 7.870 785 HG1 THR 106 HG1 THR 106 -0.061 0.591 9.926 786 HG21 THR 106 HG21 THR 106 -1.793 0.345 8.290 787 HG22 THR 106 HG22 THR 106 -0.408 1.028 7.417 788 HG23 THR 106 HG23 THR 106 -1.197 -0.439 6.820 789 H THR 107 H THR 107 0.013 -4.231 8.095 790 HA THR 107 HA THR 107 0.980 -5.562 10.400 791 HB THR 107 HB THR 107 0.202 -6.729 8.415 792 HG1 THR 107 HG1 THR 107 1.521 -7.883 9.805 793 HG21 THR 107 HG21 THR 107 2.893 -6.269 7.104 794 HG22 THR 107 HG22 THR 107 1.460 -7.064 6.441 795 HG23 THR 107 HG23 THR 107 1.457 -5.310 6.663 796 H LEU 108 H LEU 108 2.798 -3.617 8.053 797 HA LEU 108 HA LEU 108 5.422 -4.139 8.893 798 HB2 LEU 108 HB2 LEU 108 4.081 -1.590 7.890 799 HB3 LEU 108 HB3 LEU 108 5.806 -1.698 8.188 800 HG LEU 108 HG LEU 108 6.118 -3.340 6.427 801 HD11 LEU 108 HD11 LEU 108 3.091 -3.160 6.089 802 HD12 LEU 108 HD12 LEU 108 4.167 -3.717 4.809 803 HD13 LEU 108 HD13 LEU 108 4.111 -4.624 6.321 804 HD21 LEU 108 HD21 LEU 108 4.309 -1.093 5.521 805 HD22 LEU 108 HD22 LEU 108 6.024 -0.874 5.966 806 HD23 LEU 108 HD23 LEU 108 5.589 -1.871 4.562 807 H SER 109 H SER 109 3.196 -1.632 10.194 808 HA SER 109 HA SER 109 5.053 -0.795 12.264 809 HB2 SER 109 HB2 SER 109 3.255 0.554 13.124 810 HB3 SER 109 HB3 SER 109 3.348 0.745 11.369 811 HG SER 109 HG SER 109 1.484 -0.371 11.130 812 H GLN 110 H GLN 110 2.590 -3.288 12.034 813 HA GLN 110 HA GLN 110 2.357 -3.700 14.905 814 HB2 GLN 110 HB2 GLN 110 0.624 -4.368 13.216 815 HB3 GLN 110 HB3 GLN 110 1.694 -5.631 12.655 816 HG2 GLN 110 HG2 GLN 110 0.112 -6.613 14.149 817 HG3 GLN 110 HG3 GLN 110 1.693 -6.666 14.936 818 HE21 GLN 110 HE22 GLN 110 -1.219 -4.537 14.651 819 HE22 GLN 110 HE21 GLN 110 -0.977 -3.825 16.242 820 H ILE 111 H ILE 111 4.284 -5.269 12.347 821 HA ILE 111 HA ILE 111 5.502 -7.323 13.819 822 HB ILE 111 HB ILE 111 6.441 -5.666 11.458 823 HG12 ILE 111 HG12 ILE 111 5.644 -8.608 11.559 824 HG13 ILE 111 HG13 ILE 111 4.446 -7.339 11.375 825 HG21 ILE 111 HG21 ILE 111 7.854 -8.115 12.609 826 HG22 ILE 111 HG22 ILE 111 8.203 -7.382 11.035 827 HG23 ILE 111 HG23 ILE 111 8.518 -6.468 12.498 828 HD11 ILE 111 HD11 ILE 111 6.718 -7.912 9.433 829 HD12 ILE 111 HD12 ILE 111 4.986 -8.187 9.193 830 HD13 ILE 111 HD13 ILE 111 5.603 -6.530 9.314 831 H VAL 112 H VAL 112 6.870 -4.019 13.311 832 HA VAL 112 HA VAL 112 9.017 -4.414 15.133 833 HB VAL 112 HB VAL 112 9.413 -2.023 15.010 834 HG11 VAL 112 HG11 VAL 112 10.071 -3.548 13.129 835 HG12 VAL 112 HG12 VAL 112 8.572 -3.097 12.290 836 HG13 VAL 112 HG13 VAL 112 9.802 -1.867 12.646 837 HG21 VAL 112 HG21 VAL 112 7.094 -1.133 15.062 838 HG22 VAL 112 HG22 VAL 112 8.009 -0.521 13.683 839 HG23 VAL 112 HG23 VAL 112 6.810 -1.804 13.441 840 H LYS 113 H LYS 113 5.716 -3.512 15.843 841 HA LYS 113 HA LYS 113 6.294 -2.651 18.608 842 HB2 LYS 113 HB2 LYS 113 3.742 -3.257 17.117 843 HB3 LYS 113 HB3 LYS 113 3.797 -2.908 18.849 844 HG2 LYS 113 HG2 LYS 113 4.975 -0.757 18.398 845 HG3 LYS 113 HG3 LYS 113 4.832 -1.055 16.663 846 HD2 LYS 113 HD2 LYS 113 2.528 -0.692 18.627 847 HD3 LYS 113 HD3 LYS 113 3.107 0.497 17.444 848 HE2 LYS 113 HE2 LYS 113 2.625 -1.191 15.633 849 HE3 LYS 113 HE3 LYS 113 1.894 -2.233 16.856 850 HZ1 LYS 113 HZ1 LYS 113 0.257 -0.465 17.277 851 HZ2 LYS 113 HZ2 LYS 113 0.944 0.491 16.116 852 HZ3 LYS 113 HZ3 LYS 113 0.255 -0.938 15.703 853 H LEU 114 H LEU 114 5.370 -5.691 16.978 854 HA LEU 114 HA LEU 114 5.025 -7.167 19.427 855 HB2 LEU 114 HB2 LEU 114 4.594 -7.585 16.676 856 HB3 LEU 114 HB3 LEU 114 5.821 -8.773 17.105 857 HG LEU 114 HG LEU 114 3.140 -8.374 18.461 858 HD11 LEU 114 HD11 LEU 114 4.067 -10.552 16.549 859 HD12 LEU 114 HD12 LEU 114 2.485 -10.470 17.356 860 HD13 LEU 114 HD13 LEU 114 2.932 -9.237 16.169 861 HD21 LEU 114 HD21 LEU 114 5.214 -10.584 18.786 862 HD22 LEU 114 HD22 LEU 114 4.785 -9.375 20.008 863 HD23 LEU 114 HD23 LEU 114 3.589 -10.581 19.514 864 H VAL 115 H VAL 115 7.815 -6.537 17.389 865 HA VAL 115 HA VAL 115 9.697 -8.177 18.911 866 HB VAL 115 HB VAL 115 10.072 -5.926 16.898 867 HG11 VAL 115 HG11 VAL 115 12.213 -7.584 18.284 868 HG12 VAL 115 HG12 VAL 115 12.482 -6.645 16.802 869 HG13 VAL 115 HG13 VAL 115 12.053 -5.815 18.297 870 HG21 VAL 115 HG21 VAL 115 10.860 -7.740 15.433 871 HG22 VAL 115 HG22 VAL 115 10.617 -8.924 16.735 872 HG23 VAL 115 HG23 VAL 115 9.227 -8.095 16.011 873 H GLU 116 H GLU 116 9.497 -4.572 18.772 874 HA GLU 116 HA GLU 116 11.247 -4.315 20.916 875 HB2 GLU 116 HB2 GLU 116 9.271 -2.429 19.669 876 HB3 GLU 116 HB3 GLU 116 10.179 -1.938 21.108 877 HG2 GLU 116 HG2 GLU 116 12.288 -2.662 19.800 878 HG3 GLU 116 HG3 GLU 116 11.244 -2.672 18.369 879 H GLU 117 H GLU 117 7.766 -4.906 21.342 880 HA GLU 117 HA GLU 117 7.923 -4.200 24.183 881 HB2 GLU 117 HB2 GLU 117 5.783 -5.706 22.649 882 HB3 GLU 117 HB3 GLU 117 5.724 -5.285 24.366 883 HG2 GLU 117 HG2 GLU 117 6.214 -2.840 23.555 884 HG3 GLU 117 HG3 GLU 117 5.655 -3.401 21.995 885 H ALA 118 H ALA 118 9.028 -6.906 22.411 886 HA ALA 118 HA ALA 118 9.005 -8.766 24.667 887 HB1 ALA 118 HB1 ALA 118 10.532 -10.131 23.381 888 HB2 ALA 118 HB2 ALA 118 9.240 -9.534 22.323 889 HB3 ALA 118 HB3 ALA 118 10.857 -8.807 22.253 890 H GLN 119 H GLN 119 11.646 -6.757 23.295 891 HA GLN 119 HA GLN 119 13.560 -6.906 25.269 892 HB2 GLN 119 HB2 GLN 119 12.715 -4.571 23.483 893 HB3 GLN 119 HB3 GLN 119 14.084 -4.499 24.546 894 HG2 GLN 119 HG2 GLN 119 15.228 -5.104 22.735 895 HG3 GLN 119 HG3 GLN 119 14.835 -6.718 23.350 896 HE21 GLN 119 HE22 GLN 119 13.154 -7.921 22.343 897 HE22 GLN 119 HE21 GLN 119 12.204 -7.152 21.092 Start of MODEL 19 1 H SER 1 H SER 1 18.998 -4.092 13.617 2 HA SER 1 HA SER 1 16.770 -2.610 14.772 3 HB2 SER 1 HB2 SER 1 19.715 -1.969 14.542 4 HB3 SER 1 HB3 SER 1 18.534 -0.996 15.445 5 HG SER 1 HG SER 1 19.845 -2.810 16.476 6 H GLU 2 H GLU 2 18.756 -2.129 11.769 7 HA GLU 2 HA GLU 2 17.284 0.332 11.182 8 HB2 GLU 2 HB2 GLU 2 18.329 0.414 9.093 9 HB3 GLU 2 HB3 GLU 2 19.537 0.091 10.323 10 HG2 GLU 2 HG2 GLU 2 19.662 -2.264 9.624 11 HG3 GLU 2 HG3 GLU 2 18.378 -2.011 8.434 12 H ALA 3 H ALA 3 16.876 -3.118 10.284 13 HA ALA 3 HA ALA 3 14.610 -2.835 8.657 14 HB1 ALA 3 HB1 ALA 3 14.112 -5.137 9.295 15 HB2 ALA 3 HB2 ALA 3 15.850 -4.927 8.996 16 HB3 ALA 3 HB3 ALA 3 15.231 -5.037 10.657 17 H LEU 4 H LEU 4 14.746 -2.857 12.245 18 HA LEU 4 HA LEU 4 11.924 -2.697 12.669 19 HB2 LEU 4 HB2 LEU 4 13.723 -3.291 14.365 20 HB3 LEU 4 HB3 LEU 4 14.141 -1.589 14.432 21 HG LEU 4 HG LEU 4 11.766 -1.098 15.202 22 HD11 LEU 4 HD11 LEU 4 11.752 -4.128 15.468 23 HD12 LEU 4 HD12 LEU 4 10.539 -3.031 16.180 24 HD13 LEU 4 HD13 LEU 4 10.689 -3.170 14.418 25 HD21 LEU 4 HD21 LEU 4 13.418 -2.975 16.936 26 HD22 LEU 4 HD22 LEU 4 13.656 -1.222 16.771 27 HD23 LEU 4 HD23 LEU 4 12.163 -1.840 17.494 28 H ALA 5 H ALA 5 14.231 -0.210 11.699 29 HA ALA 5 HA ALA 5 12.295 1.984 12.027 30 HB1 ALA 5 HB1 ALA 5 14.033 3.323 10.906 31 HB2 ALA 5 HB2 ALA 5 14.674 2.470 12.323 32 HB3 ALA 5 HB3 ALA 5 15.031 1.880 10.686 33 H LYS 6 H LYS 6 13.551 -0.149 9.430 34 HA LYS 6 HA LYS 6 12.373 1.078 7.229 35 HB2 LYS 6 HB2 LYS 6 14.042 -1.005 7.624 36 HB3 LYS 6 HB3 LYS 6 12.590 -1.911 7.210 37 HG2 LYS 6 HG2 LYS 6 13.954 0.241 5.551 38 HG3 LYS 6 HG3 LYS 6 14.083 -1.487 5.345 39 HD2 LYS 6 HD2 LYS 6 11.595 -1.540 4.906 40 HD3 LYS 6 HD3 LYS 6 11.655 0.240 4.810 41 HE2 LYS 6 HE2 LYS 6 13.389 -1.630 3.161 42 HE3 LYS 6 HE3 LYS 6 11.850 -0.954 2.593 43 HZ1 LYS 6 HZ1 LYS 6 14.248 0.631 3.340 44 HZ2 LYS 6 HZ2 LYS 6 13.723 0.372 1.825 45 HZ3 LYS 6 HZ3 LYS 6 12.801 1.261 2.842 46 H LEU 7 H LEU 7 10.744 -1.276 9.405 47 HA LEU 7 HA LEU 7 8.385 -1.541 7.772 48 HB2 LEU 7 HB2 LEU 7 8.971 -1.874 10.699 49 HB3 LEU 7 HB3 LEU 7 7.299 -1.863 10.150 50 HG LEU 7 HG LEU 7 8.026 -4.116 10.415 51 HD11 LEU 7 HD11 LEU 7 7.959 -3.681 7.410 52 HD12 LEU 7 HD12 LEU 7 7.403 -5.079 8.336 53 HD13 LEU 7 HD13 LEU 7 6.532 -3.541 8.464 54 HD21 LEU 7 HD21 LEU 7 10.442 -3.896 10.082 55 HD22 LEU 7 HD22 LEU 7 9.763 -5.171 9.063 56 HD23 LEU 7 HD23 LEU 7 10.191 -3.609 8.340 57 H ILE 8 H ILE 8 9.332 1.007 10.005 58 HA ILE 8 HA ILE 8 6.975 2.637 9.432 59 HB ILE 8 HB ILE 8 9.625 3.437 10.654 60 HG12 ILE 8 HG12 ILE 8 8.363 1.894 12.052 61 HG13 ILE 8 HG13 ILE 8 8.413 3.505 12.742 62 HG21 ILE 8 HG21 ILE 8 7.103 5.075 10.265 63 HG22 ILE 8 HG22 ILE 8 8.428 5.496 11.372 64 HG23 ILE 8 HG23 ILE 8 8.729 5.418 9.636 65 HD11 ILE 8 HD11 ILE 8 6.022 2.189 11.376 66 HD12 ILE 8 HD12 ILE 8 6.215 2.566 13.093 67 HD13 ILE 8 HD13 ILE 8 6.047 3.882 11.930 68 H SER 9 H SER 9 10.413 2.758 8.018 69 HA SER 9 HA SER 9 9.730 4.804 6.252 70 HB2 SER 9 HB2 SER 9 11.810 2.645 5.803 71 HB3 SER 9 HB3 SER 9 11.781 4.277 5.117 72 HG SER 9 HG SER 9 11.884 5.093 7.269 73 H LEU 10 H LEU 10 8.739 1.510 5.959 74 HA LEU 10 HA LEU 10 8.162 1.468 3.097 75 HB2 LEU 10 HB2 LEU 10 7.297 -0.076 5.571 76 HB3 LEU 10 HB3 LEU 10 6.497 -0.358 4.037 77 HG LEU 10 HG LEU 10 9.505 -0.603 4.286 78 HD11 LEU 10 HD11 LEU 10 8.751 -3.167 4.335 79 HD12 LEU 10 HD12 LEU 10 8.936 -2.221 5.812 80 HD13 LEU 10 HD13 LEU 10 7.321 -2.499 5.118 81 HD21 LEU 10 HD21 LEU 10 9.319 -2.015 2.329 82 HD22 LEU 10 HD22 LEU 10 7.548 -1.908 2.363 83 HD23 LEU 10 HD23 LEU 10 8.536 -0.475 1.997 84 H GLN 11 H GLN 11 6.552 2.818 5.948 85 HA GLN 11 HA GLN 11 3.920 2.950 4.672 86 HB2 GLN 11 HB2 GLN 11 5.016 3.681 7.366 87 HB3 GLN 11 HB3 GLN 11 3.461 4.319 6.850 88 HG2 GLN 11 HG2 GLN 11 2.551 2.123 6.440 89 HG3 GLN 11 HG3 GLN 11 4.117 1.358 6.765 90 HE21 GLN 11 HE22 GLN 11 4.836 1.131 8.928 91 HE22 GLN 11 HE21 GLN 11 3.734 1.564 10.246 92 H ALA 12 H ALA 12 3.100 4.591 3.574 93 HA ALA 12 HA ALA 12 4.837 6.724 2.639 94 HB1 ALA 12 HB1 ALA 12 2.961 7.152 1.105 95 HB2 ALA 12 HB2 ALA 12 3.339 5.422 1.158 96 HB3 ALA 12 HB3 ALA 12 1.928 6.057 2.044 97 H THR 13 H THR 13 4.083 8.966 2.461 98 HA THR 13 HA THR 13 2.717 9.949 4.935 99 HB THR 13 HB THR 13 3.784 12.161 4.215 100 HG1 THR 13 HG1 THR 13 4.519 11.752 2.139 101 HG21 THR 13 HG21 THR 13 5.621 9.813 4.871 102 HG22 THR 13 HG22 THR 13 5.921 11.532 5.225 103 HG23 THR 13 HG23 THR 13 4.609 10.667 6.051 104 H GLU 14 H GLU 14 2.296 9.982 1.436 105 HA GLU 14 HA GLU 14 -0.291 11.359 1.824 106 HB2 GLU 14 HB2 GLU 14 0.081 12.824 -0.052 107 HB3 GLU 14 HB3 GLU 14 1.252 13.107 1.223 108 HG2 GLU 14 HG2 GLU 14 1.781 11.547 -1.338 109 HG3 GLU 14 HG3 GLU 14 2.204 13.237 -1.063 110 H ALA 15 H ALA 15 -1.852 11.110 0.205 111 HA ALA 15 HA ALA 15 -1.501 8.920 -1.774 112 HB1 ALA 15 HB1 ALA 15 -3.659 8.955 0.385 113 HB2 ALA 15 HB2 ALA 15 -3.501 7.760 -0.923 114 HB3 ALA 15 HB3 ALA 15 -2.259 7.859 0.337 115 H THR 16 H THR 16 -3.463 8.704 -3.172 116 HA THR 16 HA THR 16 -4.928 11.292 -3.556 117 HB THR 16 HB THR 16 -3.873 9.429 -5.677 118 HG1 THR 16 HG1 THR 16 -2.340 10.816 -5.877 119 HG21 THR 16 HG21 THR 16 -5.465 12.021 -5.949 120 HG22 THR 16 HG22 THR 16 -4.615 11.202 -7.277 121 HG23 THR 16 HG23 THR 16 -5.979 10.407 -6.485 122 H ILE 17 H ILE 17 -7.007 11.066 -3.015 123 HA ILE 17 HA ILE 17 -8.398 8.450 -3.131 124 HB ILE 17 HB ILE 17 -9.439 11.143 -2.175 125 HG12 ILE 17 HG12 ILE 17 -8.363 8.871 -0.468 126 HG13 ILE 17 HG13 ILE 17 -7.525 10.389 -0.779 127 HG21 ILE 17 HG21 ILE 17 -10.547 8.326 -1.787 128 HG22 ILE 17 HG22 ILE 17 -11.233 9.812 -1.089 129 HG23 ILE 17 HG23 ILE 17 -11.248 9.597 -2.816 130 HD11 ILE 17 HD11 ILE 17 -10.109 10.044 0.783 131 HD12 ILE 17 HD12 ILE 17 -8.529 10.514 1.394 132 HD13 ILE 17 HD13 ILE 17 -9.415 11.619 0.320 133 H VAL 18 H VAL 18 -10.162 7.979 -4.565 134 HA VAL 18 HA VAL 18 -10.784 10.063 -6.606 135 HB VAL 18 HB VAL 18 -10.275 7.139 -7.223 136 HG11 VAL 18 HG11 VAL 18 -12.009 8.030 -8.680 137 HG12 VAL 18 HG12 VAL 18 -11.052 9.488 -9.004 138 HG13 VAL 18 HG13 VAL 18 -10.508 7.902 -9.592 139 HG21 VAL 18 HG21 VAL 18 -8.141 8.070 -6.908 140 HG22 VAL 18 HG22 VAL 18 -8.411 8.223 -8.658 141 HG23 VAL 18 HG23 VAL 18 -8.591 9.626 -7.592 142 H THR 19 H THR 19 -12.780 10.510 -6.659 143 HA THR 19 HA THR 19 -14.908 8.555 -5.826 144 HB THR 19 HB THR 19 -14.634 11.459 -5.000 145 HG1 THR 19 HG1 THR 19 -13.882 10.782 -3.181 146 HG21 THR 19 HG21 THR 19 -16.589 9.302 -4.099 147 HG22 THR 19 HG22 THR 19 -16.383 10.881 -3.311 148 HG23 THR 19 HG23 THR 19 -16.999 10.810 -4.960 149 H LEU 20 H LEU 20 -17.050 8.951 -6.644 150 HA LEU 20 HA LEU 20 -17.056 10.374 -9.252 151 HB2 LEU 20 HB2 LEU 20 -18.917 8.281 -8.060 152 HB3 LEU 20 HB3 LEU 20 -19.170 9.070 -9.611 153 HG LEU 20 HG LEU 20 -16.674 7.428 -8.963 154 HD11 LEU 20 HD11 LEU 20 -18.644 5.998 -8.829 155 HD12 LEU 20 HD12 LEU 20 -19.224 6.589 -10.396 156 HD13 LEU 20 HD13 LEU 20 -17.721 5.643 -10.292 157 HD21 LEU 20 HD21 LEU 20 -17.854 8.503 -11.566 158 HD22 LEU 20 HD22 LEU 20 -16.332 8.988 -10.804 159 HD23 LEU 20 HD23 LEU 20 -16.491 7.359 -11.459 160 H ASP 21 H ASP 21 -18.136 12.163 -9.550 161 HA ASP 21 HA ASP 21 -19.840 13.271 -7.313 162 HB2 ASP 21 HB2 ASP 21 -17.832 14.510 -9.105 163 HB3 ASP 21 HB3 ASP 21 -19.356 15.381 -9.015 164 H SER 22 H SER 22 -19.993 11.875 -10.297 165 HA SER 22 HA SER 22 -22.847 12.234 -10.454 166 HB2 SER 22 HB2 SER 22 -21.292 12.884 -12.937 167 HB3 SER 22 HB3 SER 22 -23.028 12.649 -12.818 168 HG SER 22 HG SER 22 -23.276 14.449 -11.740 169 H ASP 23 H ASP 23 -23.680 10.280 -10.943 170 HA ASP 23 HA ASP 23 -22.473 7.990 -10.524 171 HB2 ASP 23 HB2 ASP 23 -24.969 8.461 -12.171 172 HB3 ASP 23 HB3 ASP 23 -24.443 6.849 -11.686 173 H ASN 24 H ASN 24 -20.465 7.968 -11.622 174 HA ASN 24 HA ASN 24 -18.933 7.023 -12.958 175 HB2 ASN 24 HB2 ASN 24 -21.196 5.331 -14.160 176 HB3 ASN 24 HB3 ASN 24 -19.486 5.021 -14.355 177 HD21 ASN 24 HD22 ASN 24 -22.074 4.847 -12.087 178 HD22 ASN 24 HD21 ASN 24 -21.101 3.875 -10.988 179 H ILE 25 H ILE 25 -19.925 9.352 -13.512 180 HA ILE 25 HA ILE 25 -19.525 9.745 -16.414 181 HB ILE 25 HB ILE 25 -21.531 11.131 -16.737 182 HG12 ILE 25 HG12 ILE 25 -22.484 10.091 -14.083 183 HG13 ILE 25 HG13 ILE 25 -22.035 11.749 -14.527 184 HG21 ILE 25 HG21 ILE 25 -22.256 8.284 -15.916 185 HG22 ILE 25 HG22 ILE 25 -23.021 9.271 -17.175 186 HG23 ILE 25 HG23 ILE 25 -21.375 8.684 -17.402 187 HD11 ILE 25 HD11 ILE 25 -24.440 11.581 -14.488 188 HD12 ILE 25 HD12 ILE 25 -23.906 11.802 -16.167 189 HD13 ILE 25 HD13 ILE 25 -24.417 10.195 -15.585 190 H LEU 26 H LEU 26 -19.565 11.184 -13.198 191 HA LEU 26 HA LEU 26 -17.572 13.151 -14.277 192 HB2 LEU 26 HB2 LEU 26 -19.691 14.286 -13.639 193 HB3 LEU 26 HB3 LEU 26 -19.519 13.601 -12.019 194 HG LEU 26 HG LEU 26 -17.455 14.892 -11.650 195 HD11 LEU 26 HD11 LEU 26 -18.275 16.083 -14.320 196 HD12 LEU 26 HD12 LEU 26 -17.069 16.810 -13.224 197 HD13 LEU 26 HD13 LEU 26 -16.754 15.229 -13.959 198 HD21 LEU 26 HD21 LEU 26 -19.851 15.721 -11.095 199 HD22 LEU 26 HD22 LEU 26 -18.552 16.930 -11.171 200 HD23 LEU 26 HD23 LEU 26 -19.696 16.753 -12.518 201 H LEU 27 H LEU 27 -15.670 12.958 -13.499 202 HA LEU 27 HA LEU 27 -15.116 11.407 -10.982 203 HB2 LEU 27 HB2 LEU 27 -13.536 11.752 -13.553 204 HB3 LEU 27 HB3 LEU 27 -12.764 11.289 -12.046 205 HG LEU 27 HG LEU 27 -14.213 9.286 -11.877 206 HD11 LEU 27 HD11 LEU 27 -15.105 10.059 -14.691 207 HD12 LEU 27 HD12 LEU 27 -15.337 8.458 -13.954 208 HD13 LEU 27 HD13 LEU 27 -16.147 9.861 -13.263 209 HD21 LEU 27 HD21 LEU 27 -12.615 9.534 -14.458 210 HD22 LEU 27 HD22 LEU 27 -11.951 9.190 -12.846 211 HD23 LEU 27 HD23 LEU 27 -13.025 8.021 -13.620 212 H SER 28 H SER 28 -14.088 12.311 -9.339 213 HA SER 28 HA SER 28 -12.418 14.759 -9.745 214 HB2 SER 28 HB2 SER 28 -14.693 15.437 -9.051 215 HB3 SER 28 HB3 SER 28 -14.567 14.425 -7.613 216 HG SER 28 HG SER 28 -14.051 16.493 -7.067 217 H GLU 29 H GLU 29 -10.404 14.629 -8.710 218 HA GLU 29 HA GLU 29 -10.031 12.406 -6.770 219 HB2 GLU 29 HB2 GLU 29 -7.909 13.644 -8.549 220 HB3 GLU 29 HB3 GLU 29 -7.774 12.226 -7.503 221 HG2 GLU 29 HG2 GLU 29 -9.483 11.078 -8.970 222 HG3 GLU 29 HG3 GLU 29 -9.422 12.458 -10.046 223 H GLU 30 H GLU 30 -9.084 12.794 -4.852 224 HA GLU 30 HA GLU 30 -8.280 15.601 -4.098 225 HB2 GLU 30 HB2 GLU 30 -8.930 13.306 -2.208 226 HB3 GLU 30 HB3 GLU 30 -8.596 14.980 -1.782 227 HG2 GLU 30 HG2 GLU 30 -10.669 15.678 -2.923 228 HG3 GLU 30 HG3 GLU 30 -11.007 13.971 -3.310 229 H GLN 31 H GLN 31 -6.242 15.929 -3.044 230 HA GLN 31 HA GLN 31 -4.497 13.513 -2.784 231 HB2 GLN 31 HB2 GLN 31 -3.615 16.329 -3.478 232 HB3 GLN 31 HB3 GLN 31 -2.573 14.945 -3.107 233 HG2 GLN 31 HG2 GLN 31 -3.852 13.743 -5.036 234 HG3 GLN 31 HG3 GLN 31 -4.314 15.379 -5.555 235 HE21 GLN 31 HE22 GLN 31 -1.951 12.987 -5.397 236 HE22 GLN 31 HE21 GLN 31 -0.738 14.011 -4.889 237 H VAL 32 H VAL 32 -3.930 13.036 -0.807 238 HA VAL 32 HA VAL 32 -4.409 15.033 1.391 239 HB VAL 32 HB VAL 32 -5.605 13.348 2.619 240 HG11 VAL 32 HG11 VAL 32 -6.869 13.583 -0.129 241 HG12 VAL 32 HG12 VAL 32 -7.686 13.308 1.418 242 HG13 VAL 32 HG13 VAL 32 -6.881 14.857 1.116 243 HG21 VAL 32 HG21 VAL 32 -6.356 11.230 1.660 244 HG22 VAL 32 HG22 VAL 32 -5.422 11.537 0.178 245 HG23 VAL 32 HG23 VAL 32 -4.599 11.271 1.732 246 H ASP 33 H ASP 33 -3.621 14.564 3.456 247 HA ASP 33 HA ASP 33 -1.071 13.104 3.631 248 HB2 ASP 33 HB2 ASP 33 -1.516 15.193 4.941 249 HB3 ASP 33 HB3 ASP 33 -2.799 14.364 5.803 250 H VAL 34 H VAL 34 -0.739 11.162 4.784 251 HA VAL 34 HA VAL 34 -2.731 9.215 4.430 252 HB VAL 34 HB VAL 34 -0.283 8.913 4.378 253 HG11 VAL 34 HG11 VAL 34 0.946 8.463 6.415 254 HG12 VAL 34 HG12 VAL 34 0.293 10.098 6.464 255 HG13 VAL 34 HG13 VAL 34 -0.474 8.800 7.416 256 HG21 VAL 34 HG21 VAL 34 -1.610 6.874 6.192 257 HG22 VAL 34 HG22 VAL 34 -1.822 6.957 4.429 258 HG23 VAL 34 HG23 VAL 34 -0.221 6.644 5.122 259 H GLU 35 H GLU 35 -2.599 11.388 7.099 260 HA GLU 35 HA GLU 35 -4.121 9.617 8.886 261 HB2 GLU 35 HB2 GLU 35 -2.598 11.539 9.579 262 HB3 GLU 35 HB3 GLU 35 -3.897 12.636 9.079 263 HG2 GLU 35 HG2 GLU 35 -5.433 11.549 10.699 264 HG3 GLU 35 HG3 GLU 35 -4.186 10.361 11.098 265 H LEU 36 H LEU 36 -4.986 11.584 6.156 266 HA LEU 36 HA LEU 36 -7.786 11.980 7.052 267 HB2 LEU 36 HB2 LEU 36 -6.437 12.869 4.510 268 HB3 LEU 36 HB3 LEU 36 -7.945 13.484 5.178 269 HG LEU 36 HG LEU 36 -5.147 13.896 6.336 270 HD11 LEU 36 HD11 LEU 36 -5.501 16.225 5.679 271 HD12 LEU 36 HD12 LEU 36 -5.612 15.155 4.277 272 HD13 LEU 36 HD13 LEU 36 -7.096 15.817 5.006 273 HD21 LEU 36 HD21 LEU 36 -6.807 13.821 8.160 274 HD22 LEU 36 HD22 LEU 36 -6.221 15.465 7.900 275 HD23 LEU 36 HD23 LEU 36 -7.826 14.997 7.295 276 H VAL 37 H VAL 37 -6.228 9.499 5.540 277 HA VAL 37 HA VAL 37 -8.507 8.709 3.809 278 HB VAL 37 HB VAL 37 -6.526 8.509 2.583 279 HG11 VAL 37 HG11 VAL 37 -5.278 6.967 4.900 280 HG12 VAL 37 HG12 VAL 37 -4.559 7.170 3.287 281 HG13 VAL 37 HG13 VAL 37 -4.818 8.580 4.314 282 HG21 VAL 37 HG21 VAL 37 -8.066 6.583 2.406 283 HG22 VAL 37 HG22 VAL 37 -6.381 6.145 2.071 284 HG23 VAL 37 HG23 VAL 37 -7.112 5.705 3.620 285 H GLN 38 H GLN 38 -9.705 6.968 4.302 286 HA GLN 38 HA GLN 38 -9.353 5.646 6.973 287 HB2 GLN 38 HB2 GLN 38 -11.809 6.827 5.630 288 HB3 GLN 38 HB3 GLN 38 -11.910 5.704 6.981 289 HG2 GLN 38 HG2 GLN 38 -10.687 7.229 8.441 290 HG3 GLN 38 HG3 GLN 38 -10.478 8.397 7.122 291 HE21 GLN 38 HE22 GLN 38 -12.617 9.091 6.117 292 HE22 GLN 38 HE21 GLN 38 -14.041 8.984 7.175 293 H ARG 39 H ARG 39 -10.734 3.729 7.174 294 HA ARG 39 HA ARG 39 -9.978 1.838 5.122 295 HB2 ARG 39 HB2 ARG 39 -10.573 0.172 6.690 296 HB3 ARG 39 HB3 ARG 39 -9.836 1.491 7.590 297 HG2 ARG 39 HG2 ARG 39 -12.407 2.213 7.869 298 HG3 ARG 39 HG3 ARG 39 -12.674 0.507 7.510 299 HD2 ARG 39 HD2 ARG 39 -11.355 -0.184 9.430 300 HD3 ARG 39 HD3 ARG 39 -10.827 1.480 9.732 301 HE ARG 39 HE ARG 39 -13.594 1.629 9.802 302 HH11 ARG 39 HH11 ARG 39 -11.243 -0.046 11.840 303 HH12 ARG 39 HH12 ARG 39 -12.431 -0.254 13.103 304 HH21 ARG 39 HH21 ARG 39 -14.929 1.407 11.441 305 HH22 ARG 39 HH22 ARG 39 -14.437 0.606 12.924 306 H GLY 40 H GLY 40 -12.039 3.768 4.307 307 HA2 GLY 40 HA2 GLY 40 -13.761 1.875 2.839 308 HA3 GLY 40 HA3 GLY 40 -14.544 3.183 3.734 309 H ASP 41 H ASP 41 -11.454 4.182 2.492 310 HA ASP 41 HA ASP 41 -12.713 5.694 0.278 311 HB2 ASP 41 HB2 ASP 41 -9.948 5.723 1.525 312 HB3 ASP 41 HB3 ASP 41 -10.382 6.682 0.117 313 H ILE 42 H ILE 42 -11.626 5.792 -1.846 314 HA ILE 42 HA ILE 42 -10.237 3.278 -2.663 315 HB ILE 42 HB ILE 42 -12.222 4.916 -4.273 316 HG12 ILE 42 HG12 ILE 42 -12.307 2.001 -3.350 317 HG13 ILE 42 HG13 ILE 42 -13.184 3.317 -2.581 318 HG21 ILE 42 HG21 ILE 42 -10.539 2.505 -5.120 319 HG22 ILE 42 HG22 ILE 42 -11.805 3.280 -6.099 320 HG23 ILE 42 HG23 ILE 42 -10.347 4.171 -5.715 321 HD11 ILE 42 HD11 ILE 42 -14.420 3.725 -4.722 322 HD12 ILE 42 HD12 ILE 42 -13.667 2.251 -5.383 323 HD13 ILE 42 HD13 ILE 42 -14.726 2.147 -3.971 324 H ILE 43 H ILE 43 -8.225 3.583 -3.328 325 HA ILE 43 HA ILE 43 -7.227 6.332 -3.818 326 HB ILE 43 HB ILE 43 -5.844 3.832 -2.774 327 HG12 ILE 43 HG12 ILE 43 -7.475 4.426 -1.110 328 HG13 ILE 43 HG13 ILE 43 -5.874 4.841 -0.537 329 HG21 ILE 43 HG21 ILE 43 -4.082 5.414 -1.990 330 HG22 ILE 43 HG22 ILE 43 -4.221 5.340 -3.744 331 HG23 ILE 43 HG23 ILE 43 -4.900 6.722 -2.868 332 HD11 ILE 43 HD11 ILE 43 -7.901 6.819 -1.665 333 HD12 ILE 43 HD12 ILE 43 -7.530 6.568 0.036 334 HD13 ILE 43 HD13 ILE 43 -6.289 7.239 -1.037 335 H LYS 44 H LYS 44 -6.321 6.827 -5.787 336 HA LYS 44 HA LYS 44 -5.639 4.712 -7.726 337 HB2 LYS 44 HB2 LYS 44 -6.873 6.604 -8.416 338 HB3 LYS 44 HB3 LYS 44 -5.540 7.694 -7.974 339 HG2 LYS 44 HG2 LYS 44 -4.084 6.558 -9.626 340 HG3 LYS 44 HG3 LYS 44 -5.376 5.413 -10.027 341 HD2 LYS 44 HD2 LYS 44 -5.729 8.405 -10.259 342 HD3 LYS 44 HD3 LYS 44 -4.976 7.442 -11.550 343 HE2 LYS 44 HE2 LYS 44 -6.995 6.083 -11.775 344 HE3 LYS 44 HE3 LYS 44 -7.786 6.976 -10.465 345 HZ1 LYS 44 HZ1 LYS 44 -8.386 7.711 -12.737 346 HZ2 LYS 44 HZ2 LYS 44 -7.725 8.963 -11.848 347 HZ3 LYS 44 HZ3 LYS 44 -6.856 8.185 -13.009 348 H VAL 45 H VAL 45 -3.723 3.861 -8.110 349 HA VAL 45 HA VAL 45 -1.256 5.167 -7.056 350 HB VAL 45 HB VAL 45 -1.941 2.852 -6.288 351 HG11 VAL 45 HG11 VAL 45 -0.863 1.979 -9.004 352 HG12 VAL 45 HG12 VAL 45 -1.348 0.936 -7.655 353 HG13 VAL 45 HG13 VAL 45 -2.563 1.918 -8.488 354 HG21 VAL 45 HG21 VAL 45 0.835 3.174 -7.510 355 HG22 VAL 45 HG22 VAL 45 0.315 3.698 -5.894 356 HG23 VAL 45 HG23 VAL 45 0.364 1.979 -6.281 357 H VAL 46 H VAL 46 0.403 5.790 -8.377 358 HA VAL 46 HA VAL 46 0.001 5.536 -11.291 359 HB VAL 46 HB VAL 46 1.540 7.362 -11.524 360 HG11 VAL 46 HG11 VAL 46 -0.410 8.008 -9.291 361 HG12 VAL 46 HG12 VAL 46 0.266 9.120 -10.492 362 HG13 VAL 46 HG13 VAL 46 -0.845 7.838 -11.003 363 HG21 VAL 46 HG21 VAL 46 2.545 8.552 -9.688 364 HG22 VAL 46 HG22 VAL 46 1.880 7.418 -8.511 365 HG23 VAL 46 HG23 VAL 46 3.126 6.879 -9.661 366 HA PRO 47 HA PRO 47 3.489 2.894 -12.307 367 HB2 PRO 47 HB2 PRO 47 4.328 5.211 -14.073 368 HB3 PRO 47 HB3 PRO 47 4.346 3.466 -14.452 369 HG2 PRO 47 HG2 PRO 47 2.317 4.978 -15.369 370 HG3 PRO 47 HG3 PRO 47 1.927 3.415 -14.576 371 HD2 PRO 47 HD2 PRO 47 1.862 6.198 -13.382 372 HD3 PRO 47 HD3 PRO 47 0.631 4.904 -13.276 373 H GLY 48 H GLY 48 5.564 2.593 -11.494 374 HA2 GLY 48 HA2 GLY 48 7.509 3.038 -10.326 375 HA3 GLY 48 HA3 GLY 48 7.338 4.738 -10.724 376 H GLY 49 H GLY 49 4.478 4.211 -9.237 377 HA2 GLY 49 HA2 GLY 49 5.254 5.469 -6.762 378 HA3 GLY 49 HA3 GLY 49 3.644 4.976 -7.257 379 H LYS 50 H LYS 50 3.964 4.701 -4.741 380 HA LYS 50 HA LYS 50 4.306 1.773 -4.241 381 HB2 LYS 50 HB2 LYS 50 4.943 4.048 -2.307 382 HB3 LYS 50 HB3 LYS 50 4.877 2.332 -1.905 383 HG2 LYS 50 HG2 LYS 50 7.077 2.458 -2.245 384 HG3 LYS 50 HG3 LYS 50 6.596 2.076 -3.887 385 HD2 LYS 50 HD2 LYS 50 6.753 4.551 -4.418 386 HD3 LYS 50 HD3 LYS 50 7.277 4.818 -2.744 387 HE2 LYS 50 HE2 LYS 50 9.168 3.189 -3.157 388 HE3 LYS 50 HE3 LYS 50 8.698 3.145 -4.865 389 HZ1 LYS 50 HZ1 LYS 50 10.470 4.719 -4.443 390 HZ2 LYS 50 HZ2 LYS 50 9.143 5.543 -4.966 391 HZ3 LYS 50 HZ3 LYS 50 9.569 5.537 -3.359 392 H PHE 51 H PHE 51 2.951 0.793 -2.813 393 HA PHE 51 HA PHE 51 0.221 1.835 -2.710 394 HB2 PHE 51 HB2 PHE 51 1.494 -0.731 -1.729 395 HB3 PHE 51 HB3 PHE 51 -0.211 -0.351 -1.535 396 HD1 PHE 51 HD1 PHE 51 2.449 -1.063 -4.046 397 HD2 PHE 51 HD2 PHE 51 -1.759 -0.492 -3.384 398 HE1 PHE 51 HE1 PHE 51 2.003 -1.832 -6.346 399 HE2 PHE 51 HE2 PHE 51 -2.224 -1.331 -5.681 400 HZ PHE 51 HZ PHE 51 -0.335 -1.990 -7.171 401 HA PRO 52 HA PRO 52 1.290 3.688 1.230 402 HB2 PRO 52 HB2 PRO 52 -0.796 5.384 1.583 403 HB3 PRO 52 HB3 PRO 52 0.370 5.571 0.238 404 HG2 PRO 52 HG2 PRO 52 -2.369 4.280 0.145 405 HG3 PRO 52 HG3 PRO 52 -1.669 5.488 -0.976 406 HD2 PRO 52 HD2 PRO 52 -1.637 2.773 -1.464 407 HD3 PRO 52 HD3 PRO 52 -0.366 3.888 -2.045 408 H VAL 53 H VAL 53 -1.376 1.542 0.973 409 HA VAL 53 HA VAL 53 -1.552 0.914 3.769 410 HB VAL 53 HB VAL 53 -4.101 1.073 3.776 411 HG11 VAL 53 HG11 VAL 53 -2.603 3.706 3.990 412 HG12 VAL 53 HG12 VAL 53 -4.134 3.260 4.771 413 HG13 VAL 53 HG13 VAL 53 -2.637 2.437 5.233 414 HG21 VAL 53 HG21 VAL 53 -5.150 2.850 2.526 415 HG22 VAL 53 HG22 VAL 53 -3.614 3.303 1.775 416 HG23 VAL 53 HG23 VAL 53 -4.367 1.734 1.382 417 H ASP 54 H ASP 54 -3.306 -1.009 3.905 418 HA ASP 54 HA ASP 54 -2.852 -2.663 1.485 419 HB2 ASP 54 HB2 ASP 54 -2.944 -4.583 2.684 420 HB3 ASP 54 HB3 ASP 54 -1.994 -3.496 3.681 421 H GLY 55 H GLY 55 -4.439 -3.989 0.571 422 HA2 GLY 55 HA2 GLY 55 -7.178 -4.037 1.088 423 HA3 GLY 55 HA3 GLY 55 -6.931 -2.559 0.160 424 H ARG 56 H ARG 56 -8.387 -3.637 -1.335 425 HA ARG 56 HA ARG 56 -7.030 -5.627 -3.113 426 HB2 ARG 56 HB2 ARG 56 -9.274 -6.060 -1.862 427 HB3 ARG 56 HB3 ARG 56 -10.001 -5.121 -3.172 428 HG2 ARG 56 HG2 ARG 56 -8.968 -6.698 -4.829 429 HG3 ARG 56 HG3 ARG 56 -8.278 -7.618 -3.486 430 HD2 ARG 56 HD2 ARG 56 -11.195 -7.301 -4.231 431 HD3 ARG 56 HD3 ARG 56 -10.218 -8.779 -4.223 432 HE ARG 56 HE ARG 56 -11.321 -7.334 -1.848 433 HH11 ARG 56 HH11 ARG 56 -9.515 -10.227 -2.893 434 HH12 ARG 56 HH12 ARG 56 -9.661 -10.851 -1.247 435 HH21 ARG 56 HH21 ARG 56 -11.363 -8.251 0.047 436 HH22 ARG 56 HH22 ARG 56 -10.652 -9.864 0.284 437 H VAL 57 H VAL 57 -7.031 -5.491 -5.297 438 HA VAL 57 HA VAL 57 -7.426 -2.826 -6.576 439 HB VAL 57 HB VAL 57 -5.878 -5.306 -7.465 440 HG11 VAL 57 HG11 VAL 57 -6.348 -2.658 -8.910 441 HG12 VAL 57 HG12 VAL 57 -5.186 -3.911 -9.418 442 HG13 VAL 57 HG13 VAL 57 -6.901 -4.258 -9.437 443 HG21 VAL 57 HG21 VAL 57 -3.893 -4.000 -7.274 444 HG22 VAL 57 HG22 VAL 57 -4.810 -2.510 -6.972 445 HG23 VAL 57 HG23 VAL 57 -4.756 -3.797 -5.747 446 H ILE 58 H ILE 58 -9.278 -2.669 -7.657 447 HA ILE 58 HA ILE 58 -10.374 -5.032 -9.122 448 HB ILE 58 HB ILE 58 -12.700 -4.224 -8.509 449 HG12 ILE 58 HG12 ILE 58 -11.315 -2.948 -6.121 450 HG13 ILE 58 HG13 ILE 58 -11.743 -1.995 -7.549 451 HG21 ILE 58 HG21 ILE 58 -11.040 -5.360 -6.226 452 HG22 ILE 58 HG22 ILE 58 -12.787 -5.536 -6.472 453 HG23 ILE 58 HG23 ILE 58 -11.663 -6.288 -7.607 454 HD11 ILE 58 HD11 ILE 58 -13.725 -3.498 -5.799 455 HD12 ILE 58 HD12 ILE 58 -13.465 -1.743 -5.871 456 HD13 ILE 58 HD13 ILE 58 -14.117 -2.590 -7.285 457 H GLU 59 H GLU 59 -8.724 -2.815 -9.936 458 HA GLU 59 HA GLU 59 -10.061 -2.085 -12.397 459 HB2 GLU 59 HB2 GLU 59 -10.176 -0.264 -10.094 460 HB3 GLU 59 HB3 GLU 59 -9.235 0.462 -11.378 461 HG2 GLU 59 HG2 GLU 59 -12.020 -0.687 -11.817 462 HG3 GLU 59 HG3 GLU 59 -11.707 0.977 -11.336 463 H GLY 60 H GLY 60 -8.413 -2.315 -13.841 464 HA2 GLY 60 HA2 GLY 60 -6.442 -1.668 -14.866 465 HA3 GLY 60 HA3 GLY 60 -5.804 -1.041 -13.356 466 H HIS 61 H HIS 61 -4.002 -2.138 -14.628 467 HA HIS 61 HA HIS 61 -3.437 -4.787 -13.476 468 HB2 HIS 61 HB2 HIS 61 -3.039 -5.946 -15.462 469 HB3 HIS 61 HB3 HIS 61 -4.616 -5.209 -15.667 470 HD1 HIS 61 HD1 HIS 61 -4.667 -3.102 -17.541 471 HD2 HIS 61 HD2 HIS 61 -1.091 -5.276 -17.100 472 HE1 HIS 61 HE1 HIS 61 -3.293 -2.646 -19.629 473 H SER 62 H SER 62 -1.429 -4.970 -12.883 474 HA SER 62 HA SER 62 0.793 -3.381 -14.047 475 HB2 SER 62 HB2 SER 62 -0.179 -1.830 -12.460 476 HB3 SER 62 HB3 SER 62 -0.148 -2.977 -11.207 477 HG SER 62 HG SER 62 2.094 -1.829 -12.429 478 H MET 63 H MET 63 2.915 -3.816 -12.856 479 HA MET 63 HA MET 63 3.060 -6.583 -11.776 480 HB2 MET 63 HB2 MET 63 4.026 -6.526 -14.008 481 HB3 MET 63 HB3 MET 63 5.082 -5.177 -13.560 482 HG2 MET 63 HG2 MET 63 6.387 -6.488 -12.137 483 HG3 MET 63 HG3 MET 63 5.153 -7.743 -11.961 484 HE1 MET 63 HE1 MET 63 5.481 -10.015 -14.963 485 HE2 MET 63 HE2 MET 63 5.000 -9.856 -13.262 486 HE3 MET 63 HE3 MET 63 4.214 -8.858 -14.510 487 H VAL 64 H VAL 64 3.715 -6.641 -9.766 488 HA VAL 64 HA VAL 64 4.827 -4.166 -8.506 489 HB VAL 64 HB VAL 64 2.759 -6.120 -7.448 490 HG11 VAL 64 HG11 VAL 64 3.904 -3.615 -6.138 491 HG12 VAL 64 HG12 VAL 64 2.484 -4.512 -5.569 492 HG13 VAL 64 HG13 VAL 64 4.066 -5.286 -5.554 493 HG21 VAL 64 HG21 VAL 64 1.812 -4.608 -9.131 494 HG22 VAL 64 HG22 VAL 64 1.269 -4.105 -7.527 495 HG23 VAL 64 HG23 VAL 64 2.568 -3.210 -8.347 496 H ASP 65 H ASP 65 6.315 -4.248 -6.966 497 HA ASP 65 HA ASP 65 7.816 -6.779 -6.504 498 HB2 ASP 65 HB2 ASP 65 9.163 -5.133 -7.529 499 HB3 ASP 65 HB3 ASP 65 8.519 -3.838 -6.517 500 H GLU 66 H GLU 66 7.539 -7.708 -4.642 501 HA GLU 66 HA GLU 66 6.765 -6.157 -2.203 502 HB2 GLU 66 HB2 GLU 66 6.125 -9.019 -2.926 503 HB3 GLU 66 HB3 GLU 66 5.489 -8.086 -1.545 504 HG2 GLU 66 HG2 GLU 66 4.354 -6.577 -3.219 505 HG3 GLU 66 HG3 GLU 66 4.834 -7.720 -4.488 506 H SER 67 H SER 67 9.600 -7.030 -3.117 507 HA SER 67 HA SER 67 10.462 -9.259 -1.718 508 HB2 SER 67 HB2 SER 67 12.696 -8.510 -2.265 509 HB3 SER 67 HB3 SER 67 11.593 -8.180 -3.608 510 HG SER 67 HG SER 67 12.654 -6.347 -3.385 511 H LEU 68 H LEU 68 9.484 -6.585 -0.011 512 HA LEU 68 HA LEU 68 11.318 -7.189 2.288 513 HB2 LEU 68 HB2 LEU 68 11.160 -4.764 1.327 514 HB3 LEU 68 HB3 LEU 68 9.542 -4.746 1.976 515 HG LEU 68 HG LEU 68 10.779 -3.583 3.510 516 HD11 LEU 68 HD11 LEU 68 10.959 -6.330 4.787 517 HD12 LEU 68 HD12 LEU 68 10.840 -4.763 5.597 518 HD13 LEU 68 HD13 LEU 68 9.458 -5.378 4.678 519 HD21 LEU 68 HD21 LEU 68 13.019 -4.067 2.701 520 HD22 LEU 68 HD22 LEU 68 12.910 -4.112 4.466 521 HD23 LEU 68 HD23 LEU 68 12.989 -5.634 3.538 522 H ILE 69 H ILE 69 8.017 -6.638 1.191 523 HA ILE 69 HA ILE 69 6.787 -7.251 3.772 524 HB ILE 69 HB ILE 69 5.396 -6.972 1.088 525 HG12 ILE 69 HG12 ILE 69 6.670 -4.905 1.584 526 HG13 ILE 69 HG13 ILE 69 4.939 -4.676 1.590 527 HG21 ILE 69 HG21 ILE 69 4.428 -6.991 3.979 528 HG22 ILE 69 HG22 ILE 69 3.465 -6.319 2.663 529 HG23 ILE 69 HG23 ILE 69 3.910 -8.032 2.640 530 HD11 ILE 69 HD11 ILE 69 5.973 -3.421 3.390 531 HD12 ILE 69 HD12 ILE 69 4.904 -4.654 4.059 532 HD13 ILE 69 HD13 ILE 69 6.670 -4.903 4.084 533 H THR 70 H THR 70 6.553 -8.965 0.596 534 HA THR 70 HA THR 70 5.877 -11.492 2.046 535 HB THR 70 HB THR 70 4.897 -12.266 -0.030 536 HG1 THR 70 HG1 THR 70 4.743 -10.448 -1.678 537 HG21 THR 70 HG21 THR 70 3.481 -10.808 1.441 538 HG22 THR 70 HG22 THR 70 3.912 -9.421 0.410 539 HG23 THR 70 HG23 THR 70 3.021 -10.798 -0.267 540 H GLY 71 H GLY 71 8.507 -10.011 0.668 541 HA2 GLY 71 HA2 GLY 71 10.690 -10.799 0.617 542 HA3 GLY 71 HA3 GLY 71 10.116 -12.428 0.992 543 H GLU 72 H GLU 72 8.431 -11.249 -1.696 544 HA GLU 72 HA GLU 72 9.657 -13.145 -3.487 545 HB2 GLU 72 HB2 GLU 72 7.609 -10.936 -3.924 546 HB3 GLU 72 HB3 GLU 72 8.061 -12.124 -5.139 547 HG2 GLU 72 HG2 GLU 72 6.787 -12.747 -2.442 548 HG3 GLU 72 HG3 GLU 72 5.957 -12.683 -3.992 549 H ALA 73 H ALA 73 11.661 -12.843 -4.266 550 HA ALA 73 HA ALA 73 12.788 -10.209 -4.776 551 HB1 ALA 73 HB1 ALA 73 13.822 -13.010 -5.402 552 HB2 ALA 73 HB2 ALA 73 14.770 -11.507 -5.432 553 HB3 ALA 73 HB3 ALA 73 14.115 -12.105 -3.897 554 H MET 74 H MET 74 10.865 -12.389 -6.621 555 HA MET 74 HA MET 74 11.425 -10.886 -9.122 556 HB2 MET 74 HB2 MET 74 11.976 -13.348 -9.129 557 HB3 MET 74 HB3 MET 74 10.253 -13.678 -8.851 558 HG2 MET 74 HG2 MET 74 9.670 -12.605 -10.927 559 HG3 MET 74 HG3 MET 74 11.335 -12.041 -11.152 560 HE1 MET 74 HE1 MET 74 9.368 -13.651 -13.250 561 HE2 MET 74 HE2 MET 74 10.927 -12.892 -13.653 562 HE3 MET 74 HE3 MET 74 10.624 -14.587 -14.088 563 HA PRO 75 HA PRO 75 7.555 -9.182 -8.087 564 HB2 PRO 75 HB2 PRO 75 6.886 -7.709 -10.248 565 HB3 PRO 75 HB3 PRO 75 8.366 -7.391 -9.300 566 HG2 PRO 75 HG2 PRO 75 8.124 -9.044 -11.843 567 HG3 PRO 75 HG3 PRO 75 9.257 -7.692 -11.520 568 HD2 PRO 75 HD2 PRO 75 9.957 -10.298 -11.182 569 HD3 PRO 75 HD3 PRO 75 10.562 -9.039 -10.073 570 H VAL 76 H VAL 76 5.307 -8.887 -8.602 571 HA VAL 76 HA VAL 76 4.082 -11.360 -9.782 572 HB VAL 76 HB VAL 76 3.185 -9.740 -7.360 573 HG11 VAL 76 HG11 VAL 76 2.229 -12.426 -8.440 574 HG12 VAL 76 HG12 VAL 76 1.729 -11.699 -6.902 575 HG13 VAL 76 HG13 VAL 76 1.290 -10.910 -8.416 576 HG21 VAL 76 HG21 VAL 76 5.271 -10.925 -6.815 577 HG22 VAL 76 HG22 VAL 76 3.910 -11.718 -6.028 578 HG23 VAL 76 HG23 VAL 76 4.613 -12.426 -7.500 579 H ALA 77 H ALA 77 2.255 -11.198 -11.042 580 HA ALA 77 HA ALA 77 1.548 -8.501 -12.005 581 HB1 ALA 77 HB1 ALA 77 0.564 -11.220 -12.929 582 HB2 ALA 77 HB2 ALA 77 0.306 -9.663 -13.735 583 HB3 ALA 77 HB3 ALA 77 1.946 -10.327 -13.609 584 H LYS 78 H LYS 78 -0.132 -7.352 -11.389 585 HA LYS 78 HA LYS 78 -2.287 -8.539 -9.668 586 HB2 LYS 78 HB2 LYS 78 -1.563 -5.623 -10.126 587 HB3 LYS 78 HB3 LYS 78 -2.761 -6.221 -8.992 588 HG2 LYS 78 HG2 LYS 78 0.254 -6.689 -8.821 589 HG3 LYS 78 HG3 LYS 78 -0.668 -5.498 -7.916 590 HD2 LYS 78 HD2 LYS 78 -1.881 -7.282 -6.720 591 HD3 LYS 78 HD3 LYS 78 -0.971 -8.518 -7.622 592 HE2 LYS 78 HE2 LYS 78 1.147 -7.712 -6.692 593 HE3 LYS 78 HE3 LYS 78 0.341 -6.352 -5.905 594 HZ1 LYS 78 HZ1 LYS 78 -0.123 -9.203 -5.232 595 HZ2 LYS 78 HZ2 LYS 78 0.781 -8.146 -4.341 596 HZ3 LYS 78 HZ3 LYS 78 -0.849 -7.949 -4.492 597 H LYS 79 H LYS 79 -4.540 -8.044 -10.145 598 HA LYS 79 HA LYS 79 -5.196 -7.059 -12.852 599 HB2 LYS 79 HB2 LYS 79 -6.175 -9.009 -13.589 600 HB3 LYS 79 HB3 LYS 79 -4.832 -9.667 -12.701 601 HG2 LYS 79 HG2 LYS 79 -6.354 -10.009 -10.713 602 HG3 LYS 79 HG3 LYS 79 -7.718 -9.476 -11.700 603 HD2 LYS 79 HD2 LYS 79 -5.933 -11.843 -12.337 604 HD3 LYS 79 HD3 LYS 79 -7.507 -11.936 -11.527 605 HE2 LYS 79 HE2 LYS 79 -8.571 -10.880 -13.551 606 HE3 LYS 79 HE3 LYS 79 -7.000 -10.943 -14.367 607 HZ1 LYS 79 HZ1 LYS 79 -8.634 -13.240 -13.458 608 HZ2 LYS 79 HZ2 LYS 79 -8.194 -12.889 -14.990 609 HZ3 LYS 79 HZ3 LYS 79 -7.058 -13.401 -13.916 610 HA PRO 80 HA PRO 80 -8.703 -5.480 -10.509 611 HB2 PRO 80 HB2 PRO 80 -10.909 -5.620 -12.082 612 HB3 PRO 80 HB3 PRO 80 -9.497 -4.610 -12.515 613 HG2 PRO 80 HG2 PRO 80 -10.101 -7.427 -13.471 614 HG3 PRO 80 HG3 PRO 80 -9.716 -5.989 -14.464 615 HD2 PRO 80 HD2 PRO 80 -7.836 -7.785 -13.761 616 HD3 PRO 80 HD3 PRO 80 -7.446 -6.044 -13.852 617 H GLY 81 H GLY 81 -8.126 -7.445 -9.198 618 HA2 GLY 81 HA2 GLY 81 -10.221 -8.686 -7.889 619 HA3 GLY 81 HA3 GLY 81 -9.774 -9.837 -9.159 620 H SER 82 H SER 82 -7.496 -7.657 -7.366 621 HA SER 82 HA SER 82 -6.033 -10.076 -6.368 622 HB2 SER 82 HB2 SER 82 -4.899 -7.649 -7.824 623 HB3 SER 82 HB3 SER 82 -3.921 -8.821 -6.931 624 HG SER 82 HG SER 82 -4.417 -10.390 -8.375 625 H THR 83 H THR 83 -4.792 -9.713 -4.443 626 HA THR 83 HA THR 83 -5.537 -7.246 -2.944 627 HB THR 83 HB THR 83 -4.670 -8.567 -0.948 628 HG1 THR 83 HG1 THR 83 -3.677 -10.267 -1.760 629 HG21 THR 83 HG21 THR 83 -7.127 -9.460 -2.526 630 HG22 THR 83 HG22 THR 83 -6.813 -9.863 -0.824 631 HG23 THR 83 HG23 THR 83 -7.042 -8.176 -1.305 632 H VAL 84 H VAL 84 -4.123 -5.974 -1.854 633 HA VAL 84 HA VAL 84 -1.233 -6.156 -2.529 634 HB VAL 84 HB VAL 84 -1.262 -3.724 -3.054 635 HG11 VAL 84 HG11 VAL 84 -3.000 -5.392 -4.917 636 HG12 VAL 84 HG12 VAL 84 -2.065 -3.942 -5.341 637 HG13 VAL 84 HG13 VAL 84 -1.225 -5.410 -4.839 638 HG21 VAL 84 HG21 VAL 84 -3.428 -3.080 -2.012 639 HG22 VAL 84 HG22 VAL 84 -3.330 -2.608 -3.713 640 HG23 VAL 84 HG23 VAL 84 -4.292 -4.019 -3.248 641 H ILE 85 H ILE 85 0.163 -5.053 -1.215 642 HA ILE 85 HA ILE 85 -0.892 -4.187 1.431 643 HB ILE 85 HB ILE 85 1.390 -5.234 2.289 644 HG12 ILE 85 HG12 ILE 85 1.808 -7.469 1.362 645 HG13 ILE 85 HG13 ILE 85 0.636 -7.221 0.080 646 HG21 ILE 85 HG21 ILE 85 -0.800 -5.710 3.196 647 HG22 ILE 85 HG22 ILE 85 -1.179 -6.794 1.837 648 HG23 ILE 85 HG23 ILE 85 0.105 -7.205 2.998 649 HD11 ILE 85 HD11 ILE 85 2.032 -5.541 -0.965 650 HD12 ILE 85 HD12 ILE 85 3.137 -5.515 0.417 651 HD13 ILE 85 HD13 ILE 85 3.038 -6.957 -0.619 652 H ALA 86 H ALA 86 0.232 -2.747 2.632 653 HA ALA 86 HA ALA 86 1.195 -0.555 1.182 654 HB1 ALA 86 HB1 ALA 86 0.062 -0.503 3.406 655 HB2 ALA 86 HB2 ALA 86 1.545 -1.125 4.153 656 HB3 ALA 86 HB3 ALA 86 1.541 0.470 3.361 657 H GLY 87 H GLY 87 3.192 0.350 0.825 658 HA2 GLY 87 HA2 GLY 87 5.499 0.592 0.816 659 HA3 GLY 87 HA3 GLY 87 5.658 -0.758 1.935 660 H SER 88 H SER 88 3.812 -1.823 -0.692 661 HA SER 88 HA SER 88 6.141 -3.073 -2.035 662 HB2 SER 88 HB2 SER 88 4.512 -4.243 -3.417 663 HB3 SER 88 HB3 SER 88 4.314 -4.553 -1.692 664 HG SER 88 HG SER 88 2.485 -3.232 -1.679 665 H ILE 89 H ILE 89 6.540 -2.825 -4.312 666 HA ILE 89 HA ILE 89 6.085 0.016 -5.104 667 HB ILE 89 HB ILE 89 8.386 -1.549 -6.197 668 HG12 ILE 89 HG12 ILE 89 8.650 -2.052 -3.831 669 HG13 ILE 89 HG13 ILE 89 9.901 -0.999 -4.447 670 HG21 ILE 89 HG21 ILE 89 7.965 0.639 -7.116 671 HG22 ILE 89 HG22 ILE 89 7.852 1.369 -5.513 672 HG23 ILE 89 HG23 ILE 89 9.412 0.751 -6.107 673 HD11 ILE 89 HD11 ILE 89 8.931 0.940 -3.337 674 HD12 ILE 89 HD12 ILE 89 7.540 -0.025 -2.789 675 HD13 ILE 89 HD13 ILE 89 9.166 -0.375 -2.178 676 H ASN 90 H ASN 90 5.336 0.604 -7.023 677 HA ASN 90 HA ASN 90 4.362 -1.410 -8.946 678 HB2 ASN 90 HB2 ASN 90 3.009 0.513 -8.062 679 HB3 ASN 90 HB3 ASN 90 4.131 1.635 -8.817 680 HD21 ASN 90 HD22 ASN 90 1.152 0.709 -9.183 681 HD22 ASN 90 HD21 ASN 90 1.046 0.591 -10.939 682 H GLN 91 H GLN 91 5.369 -1.899 -10.879 683 HA GLN 91 HA GLN 91 7.730 -0.369 -11.753 684 HB2 GLN 91 HB2 GLN 91 7.696 -2.831 -11.920 685 HB3 GLN 91 HB3 GLN 91 6.278 -2.761 -12.965 686 HG2 GLN 91 HG2 GLN 91 8.250 -3.090 -14.326 687 HG3 GLN 91 HG3 GLN 91 7.602 -1.485 -14.666 688 HE21 GLN 91 HE22 GLN 91 10.167 -3.263 -12.849 689 HE22 GLN 91 HE21 GLN 91 11.252 -1.890 -12.774 690 H ASN 92 H ASN 92 4.806 -1.417 -13.543 691 HA ASN 92 HA ASN 92 4.055 1.288 -14.315 692 HB2 ASN 92 HB2 ASN 92 5.617 0.682 -16.094 693 HB3 ASN 92 HB3 ASN 92 4.865 -0.890 -16.275 694 HD21 ASN 92 HD22 ASN 92 3.350 -1.078 -17.859 695 HD22 ASN 92 HD21 ASN 92 2.441 0.274 -18.531 696 H GLY 93 H GLY 93 1.747 1.195 -15.192 697 HA2 GLY 93 HA2 GLY 93 -0.248 0.095 -15.496 698 HA3 GLY 93 HA3 GLY 93 0.192 -1.089 -14.291 699 H SER 94 H SER 94 -1.551 1.791 -14.846 700 HA SER 94 HA SER 94 -1.467 2.677 -12.011 701 HB2 SER 94 HB2 SER 94 -1.488 4.418 -13.735 702 HB3 SER 94 HB3 SER 94 -3.043 3.817 -14.337 703 HG SER 94 HG SER 94 -2.572 4.647 -11.637 704 H LEU 95 H LEU 95 -2.884 2.038 -10.514 705 HA LEU 95 HA LEU 95 -5.331 0.513 -11.332 706 HB2 LEU 95 HB2 LEU 95 -3.813 0.040 -8.793 707 HB3 LEU 95 HB3 LEU 95 -4.910 -1.031 -9.609 708 HG LEU 95 HG LEU 95 -2.061 -0.379 -10.496 709 HD11 LEU 95 HD11 LEU 95 -1.461 -2.521 -9.577 710 HD12 LEU 95 HD12 LEU 95 -2.290 -1.610 -8.311 711 HD13 LEU 95 HD13 LEU 95 -3.149 -2.893 -9.185 712 HD21 LEU 95 HD21 LEU 95 -3.483 -1.092 -12.369 713 HD22 LEU 95 HD22 LEU 95 -2.384 -2.397 -11.908 714 HD23 LEU 95 HD23 LEU 95 -4.084 -2.466 -11.407 715 H LEU 96 H LEU 96 -7.030 0.414 -9.683 716 HA LEU 96 HA LEU 96 -6.951 2.630 -7.667 717 HB2 LEU 96 HB2 LEU 96 -9.371 1.636 -9.196 718 HB3 LEU 96 HB3 LEU 96 -9.453 2.508 -7.680 719 HG LEU 96 HG LEU 96 -8.169 4.414 -8.765 720 HD11 LEU 96 HD11 LEU 96 -8.853 2.837 -11.286 721 HD12 LEU 96 HD12 LEU 96 -8.472 4.562 -11.278 722 HD13 LEU 96 HD13 LEU 96 -7.247 3.403 -10.777 723 HD21 LEU 96 HD21 LEU 96 -10.600 4.466 -8.358 724 HD22 LEU 96 HD22 LEU 96 -10.195 5.289 -9.869 725 HD23 LEU 96 HD23 LEU 96 -10.887 3.654 -9.914 726 H ILE 97 H ILE 97 -6.902 2.016 -5.688 727 HA ILE 97 HA ILE 97 -7.447 -0.812 -4.961 728 HB ILE 97 HB ILE 97 -5.743 1.242 -3.491 729 HG12 ILE 97 HG12 ILE 97 -3.863 -0.381 -4.241 730 HG13 ILE 97 HG13 ILE 97 -4.962 -0.872 -5.520 731 HG21 ILE 97 HG21 ILE 97 -4.890 -0.728 -2.264 732 HG22 ILE 97 HG22 ILE 97 -6.628 -0.579 -2.044 733 HG23 ILE 97 HG23 ILE 97 -5.981 -1.787 -3.177 734 HD11 ILE 97 HD11 ILE 97 -3.231 0.828 -6.144 735 HD12 ILE 97 HD12 ILE 97 -4.859 1.397 -6.478 736 HD13 ILE 97 HD13 ILE 97 -3.993 1.985 -5.037 737 H CYS 98 H CYS 98 -9.132 -1.273 -3.602 738 HA CYS 98 HA CYS 98 -10.417 0.949 -2.088 739 HB2 CYS 98 HB2 CYS 98 -12.148 -0.708 -1.554 740 HB3 CYS 98 HB3 CYS 98 -12.005 -0.345 -3.273 741 HG CYS 98 HG CYS 98 -12.629 -2.890 -2.726 742 H ALA 99 H ALA 99 -9.460 1.458 -0.278 743 HA ALA 99 HA ALA 99 -7.658 -0.385 1.095 744 HB1 ALA 99 HB1 ALA 99 -8.531 2.462 1.748 745 HB2 ALA 99 HB2 ALA 99 -7.203 1.569 2.522 746 HB3 ALA 99 HB3 ALA 99 -7.100 1.990 0.798 747 H THR 100 H THR 100 -8.010 -1.543 2.880 748 HA THR 100 HA THR 100 -10.620 -1.250 4.346 749 HB THR 100 HB THR 100 -10.011 -3.849 4.776 750 HG1 THR 100 HG1 THR 100 -8.925 -4.735 3.245 751 HG21 THR 100 HG21 THR 100 -11.404 -2.702 2.329 752 HG22 THR 100 HG22 THR 100 -11.550 -4.381 2.899 753 HG23 THR 100 HG23 THR 100 -12.137 -3.051 3.908 754 H HIS 101 H HIS 101 -7.377 -0.759 4.922 755 HA HIS 101 HA HIS 101 -7.932 -0.769 7.814 756 HB2 HIS 101 HB2 HIS 101 -5.395 -1.877 6.537 757 HB3 HIS 101 HB3 HIS 101 -5.683 -1.690 8.267 758 HD1 HIS 101 HD1 HIS 101 -6.354 -4.082 5.421 759 HD2 HIS 101 HD2 HIS 101 -7.566 -3.375 9.380 760 HE1 HIS 101 HE1 HIS 101 -7.722 -6.117 6.132 761 H VAL 102 H VAL 102 -6.958 0.909 8.953 762 HA VAL 102 HA VAL 102 -5.545 3.024 7.422 763 HB VAL 102 HB VAL 102 -5.551 4.287 9.560 764 HG11 VAL 102 HG11 VAL 102 -8.269 3.381 8.545 765 HG12 VAL 102 HG12 VAL 102 -7.920 4.873 9.441 766 HG13 VAL 102 HG13 VAL 102 -7.232 4.639 7.826 767 HG21 VAL 102 HG21 VAL 102 -5.749 2.406 11.171 768 HG22 VAL 102 HG22 VAL 102 -7.017 3.619 11.383 769 HG23 VAL 102 HG23 VAL 102 -7.401 2.087 10.586 770 H GLY 103 H GLY 103 -3.462 4.030 8.723 771 HA2 GLY 103 HA2 GLY 103 -1.552 1.963 8.050 772 HA3 GLY 103 HA3 GLY 103 -1.210 3.586 8.583 773 H ALA 104 H ALA 104 -2.643 3.441 11.158 774 HA ALA 104 HA ALA 104 -0.652 2.120 12.765 775 HB1 ALA 104 HB1 ALA 104 -3.386 3.217 13.525 776 HB2 ALA 104 HB2 ALA 104 -2.016 2.920 14.616 777 HB3 ALA 104 HB3 ALA 104 -1.894 4.182 13.389 778 H ASP 105 H ASP 105 -3.626 1.010 11.381 779 HA ASP 105 HA ASP 105 -3.973 -1.342 13.136 780 HB2 ASP 105 HB2 ASP 105 -5.867 0.100 12.080 781 HB3 ASP 105 HB3 ASP 105 -5.550 -0.855 10.633 782 H THR 106 H THR 106 -1.871 -0.648 10.613 783 HA THR 106 HA THR 106 -2.172 -3.039 8.995 784 HB THR 106 HB THR 106 0.010 -2.457 8.021 785 HG1 THR 106 HG1 THR 106 0.079 -0.149 9.571 786 HG21 THR 106 HG21 THR 106 -1.938 -0.168 8.216 787 HG22 THR 106 HG22 THR 106 -0.559 -0.233 7.090 788 HG23 THR 106 HG23 THR 106 -1.864 -1.432 6.988 789 H THR 107 H THR 107 -0.641 -4.732 8.738 790 HA THR 107 HA THR 107 0.364 -5.908 11.184 791 HB THR 107 HB THR 107 -0.368 -7.186 9.161 792 HG1 THR 107 HG1 THR 107 0.692 -8.333 10.642 793 HG21 THR 107 HG21 THR 107 0.964 -5.865 7.450 794 HG22 THR 107 HG22 THR 107 2.426 -6.667 8.083 795 HG23 THR 107 HG23 THR 107 1.119 -7.619 7.362 796 H LEU 108 H LEU 108 1.857 -3.847 8.685 797 HA LEU 108 HA LEU 108 4.582 -4.059 9.422 798 HB2 LEU 108 HB2 LEU 108 2.940 -1.663 8.472 799 HB3 LEU 108 HB3 LEU 108 4.681 -1.629 8.670 800 HG LEU 108 HG LEU 108 4.987 -3.257 6.857 801 HD11 LEU 108 HD11 LEU 108 1.957 -3.132 6.573 802 HD12 LEU 108 HD12 LEU 108 3.057 -3.717 5.308 803 HD13 LEU 108 HD13 LEU 108 2.975 -4.583 6.840 804 HD21 LEU 108 HD21 LEU 108 4.931 -0.838 6.468 805 HD22 LEU 108 HD22 LEU 108 4.258 -1.704 5.073 806 HD23 LEU 108 HD23 LEU 108 3.167 -0.906 6.239 807 H SER 109 H SER 109 2.157 -1.697 10.628 808 HA SER 109 HA SER 109 3.749 -0.656 12.746 809 HB2 SER 109 HB2 SER 109 0.737 -0.706 12.364 810 HB3 SER 109 HB3 SER 109 1.613 0.318 13.525 811 HG SER 109 HG SER 109 1.076 1.038 11.152 812 H GLN 110 H GLN 110 1.565 -3.427 12.597 813 HA GLN 110 HA GLN 110 1.401 -3.963 15.420 814 HB2 GLN 110 HB2 GLN 110 0.001 -4.990 13.530 815 HB3 GLN 110 HB3 GLN 110 1.359 -6.043 13.198 816 HG2 GLN 110 HG2 GLN 110 -0.122 -7.305 14.499 817 HG3 GLN 110 HG3 GLN 110 1.222 -6.905 15.572 818 HE21 GLN 110 HE22 GLN 110 -1.976 -5.606 14.514 819 HE22 GLN 110 HE21 GLN 110 -2.313 -4.842 16.043 820 H ILE 111 H ILE 111 3.736 -5.027 12.960 821 HA ILE 111 HA ILE 111 5.321 -6.753 14.581 822 HB ILE 111 HB ILE 111 5.918 -5.210 12.033 823 HG12 ILE 111 HG12 ILE 111 5.503 -8.209 12.390 824 HG13 ILE 111 HG13 ILE 111 4.159 -7.121 12.115 825 HG21 ILE 111 HG21 ILE 111 7.887 -6.702 11.720 826 HG22 ILE 111 HG22 ILE 111 8.092 -5.656 13.109 827 HG23 ILE 111 HG23 ILE 111 7.643 -7.360 13.346 828 HD11 ILE 111 HD11 ILE 111 6.475 -7.583 10.200 829 HD12 ILE 111 HD12 ILE 111 4.784 -8.069 10.004 830 HD13 ILE 111 HD13 ILE 111 5.210 -6.348 9.982 831 H VAL 112 H VAL 112 5.973 -3.296 13.698 832 HA VAL 112 HA VAL 112 8.329 -3.184 15.258 833 HB VAL 112 HB VAL 112 8.303 -0.781 15.149 834 HG11 VAL 112 HG11 VAL 112 7.286 -1.975 12.551 835 HG12 VAL 112 HG12 VAL 112 8.271 -0.509 12.743 836 HG13 VAL 112 HG13 VAL 112 8.957 -2.087 13.156 837 HG21 VAL 112 HG21 VAL 112 5.930 -0.272 15.588 838 HG22 VAL 112 HG22 VAL 112 6.485 0.478 14.094 839 HG23 VAL 112 HG23 VAL 112 5.491 -0.988 14.020 840 H LYS 113 H LYS 113 5.026 -2.761 16.433 841 HA LYS 113 HA LYS 113 5.895 -1.915 19.089 842 HB2 LYS 113 HB2 LYS 113 3.294 -3.155 18.084 843 HB3 LYS 113 HB3 LYS 113 3.576 -2.633 19.746 844 HG2 LYS 113 HG2 LYS 113 4.192 -0.319 18.787 845 HG3 LYS 113 HG3 LYS 113 3.554 -0.895 17.253 846 HD2 LYS 113 HD2 LYS 113 1.752 0.246 18.220 847 HD3 LYS 113 HD3 LYS 113 1.380 -1.463 18.514 848 HE2 LYS 113 HE2 LYS 113 2.484 -1.201 20.786 849 HE3 LYS 113 HE3 LYS 113 2.679 0.523 20.428 850 HZ1 LYS 113 HZ1 LYS 113 0.231 0.647 20.228 851 HZ2 LYS 113 HZ2 LYS 113 0.109 -0.945 20.601 852 HZ3 LYS 113 HZ3 LYS 113 0.659 0.091 21.737 853 H LEU 114 H LEU 114 5.383 -5.077 17.596 854 HA LEU 114 HA LEU 114 5.539 -6.606 20.052 855 HB2 LEU 114 HB2 LEU 114 4.431 -7.041 17.633 856 HB3 LEU 114 HB3 LEU 114 5.966 -7.860 17.357 857 HG LEU 114 HG LEU 114 3.929 -8.433 19.543 858 HD11 LEU 114 HD11 LEU 114 4.778 -10.020 17.079 859 HD12 LEU 114 HD12 LEU 114 3.601 -10.529 18.305 860 HD13 LEU 114 HD13 LEU 114 3.245 -9.132 17.278 861 HD21 LEU 114 HD21 LEU 114 6.105 -8.992 20.431 862 HD22 LEU 114 HD22 LEU 114 5.339 -10.496 19.933 863 HD23 LEU 114 HD23 LEU 114 6.589 -9.768 18.895 864 H VAL 115 H VAL 115 7.841 -6.210 17.282 865 HA VAL 115 HA VAL 115 9.871 -7.881 18.511 866 HB VAL 115 HB VAL 115 10.082 -5.836 16.264 867 HG11 VAL 115 HG11 VAL 115 11.978 -8.091 17.067 868 HG12 VAL 115 HG12 VAL 115 12.068 -7.178 15.545 869 HG13 VAL 115 HG13 VAL 115 12.336 -6.349 17.076 870 HG21 VAL 115 HG21 VAL 115 9.688 -8.864 16.188 871 HG22 VAL 115 HG22 VAL 115 8.470 -7.646 15.751 872 HG23 VAL 115 HG23 VAL 115 9.930 -7.813 14.776 873 H GLU 116 H GLU 116 9.048 -4.579 18.957 874 HA GLU 116 HA GLU 116 11.528 -3.674 20.208 875 HB2 GLU 116 HB2 GLU 116 9.839 -2.209 19.128 876 HB3 GLU 116 HB3 GLU 116 8.665 -2.657 20.366 877 HG2 GLU 116 HG2 GLU 116 10.179 -1.602 22.081 878 HG3 GLU 116 HG3 GLU 116 11.269 -1.121 20.765 879 H GLU 117 H GLU 117 8.718 -5.551 21.315 880 HA GLU 117 HA GLU 117 9.111 -5.073 24.139 881 HB2 GLU 117 HB2 GLU 117 7.714 -7.337 22.670 882 HB3 GLU 117 HB3 GLU 117 7.715 -7.165 24.404 883 HG2 GLU 117 HG2 GLU 117 6.847 -4.722 22.913 884 HG3 GLU 117 HG3 GLU 117 5.798 -6.125 22.776 885 H ALA 118 H ALA 118 10.819 -7.303 21.929 886 HA ALA 118 HA ALA 118 11.497 -9.212 23.985 887 HB1 ALA 118 HB1 ALA 118 13.042 -10.051 22.232 888 HB2 ALA 118 HB2 ALA 118 11.405 -9.800 21.608 889 HB3 ALA 118 HB3 ALA 118 12.672 -8.626 21.223 890 H GLN 119 H GLN 119 13.511 -6.789 22.288 891 HA GLN 119 HA GLN 119 15.575 -6.501 24.063 892 HB2 GLN 119 HB2 GLN 119 14.221 -4.404 22.374 893 HB3 GLN 119 HB3 GLN 119 15.711 -4.100 23.253 894 HG2 GLN 119 HG2 GLN 119 16.409 -4.651 21.089 895 HG3 GLN 119 HG3 GLN 119 16.728 -6.119 22.044 896 HE21 GLN 119 HE22 GLN 119 14.297 -4.518 20.000 897 HE22 GLN 119 HE21 GLN 119 13.463 -6.026 19.655 Start of MODEL 20 1 H SER 1 H SER 1 19.346 -4.380 12.860 2 HA SER 1 HA SER 1 16.722 -3.367 13.749 3 HB2 SER 1 HB2 SER 1 19.539 -2.370 14.292 4 HB3 SER 1 HB3 SER 1 18.060 -1.777 15.076 5 HG SER 1 HG SER 1 17.712 -3.832 15.930 6 H GLU 2 H GLU 2 19.035 -2.486 11.261 7 HA GLU 2 HA GLU 2 17.909 0.197 10.785 8 HB2 GLU 2 HB2 GLU 2 19.620 -1.451 8.876 9 HB3 GLU 2 HB3 GLU 2 19.264 0.258 8.811 10 HG2 GLU 2 HG2 GLU 2 21.504 0.044 9.548 11 HG3 GLU 2 HG3 GLU 2 20.556 0.603 10.924 12 H ALA 3 H ALA 3 17.662 -3.088 9.370 13 HA ALA 3 HA ALA 3 15.664 -2.537 7.442 14 HB1 ALA 3 HB1 ALA 3 15.373 -4.977 7.447 15 HB2 ALA 3 HB2 ALA 3 17.093 -4.544 7.513 16 HB3 ALA 3 HB3 ALA 3 16.260 -5.100 8.982 17 H LEU 4 H LEU 4 15.347 -3.330 10.914 18 HA LEU 4 HA LEU 4 12.477 -3.607 10.892 19 HB2 LEU 4 HB2 LEU 4 14.026 -4.433 12.710 20 HB3 LEU 4 HB3 LEU 4 14.269 -2.765 13.199 21 HG LEU 4 HG LEU 4 11.845 -2.566 13.733 22 HD11 LEU 4 HD11 LEU 4 11.877 -5.525 13.048 23 HD12 LEU 4 HD12 LEU 4 10.554 -4.706 13.927 24 HD13 LEU 4 HD13 LEU 4 10.918 -4.261 12.253 25 HD21 LEU 4 HD21 LEU 4 13.260 -4.907 15.074 26 HD22 LEU 4 HD22 LEU 4 13.500 -3.185 15.452 27 HD23 LEU 4 HD23 LEU 4 11.928 -3.940 15.754 28 H ALA 5 H ALA 5 14.583 -0.785 10.934 29 HA ALA 5 HA ALA 5 12.412 1.127 11.464 30 HB1 ALA 5 HB1 ALA 5 14.175 2.777 10.945 31 HB2 ALA 5 HB2 ALA 5 14.668 1.657 12.226 32 HB3 ALA 5 HB3 ALA 5 15.311 1.475 10.581 33 H LYS 6 H LYS 6 14.220 -0.200 8.663 34 HA LYS 6 HA LYS 6 13.216 1.471 6.646 35 HB2 LYS 6 HB2 LYS 6 15.136 -0.097 6.417 36 HB3 LYS 6 HB3 LYS 6 13.992 -1.451 6.339 37 HG2 LYS 6 HG2 LYS 6 12.973 -0.522 4.318 38 HG3 LYS 6 HG3 LYS 6 14.019 0.904 4.407 39 HD2 LYS 6 HD2 LYS 6 15.996 -0.502 3.968 40 HD3 LYS 6 HD3 LYS 6 14.982 -1.967 3.986 41 HE2 LYS 6 HE2 LYS 6 13.631 -1.038 2.108 42 HE3 LYS 6 HE3 LYS 6 14.650 0.402 2.087 43 HZ1 LYS 6 HZ1 LYS 6 15.246 -1.232 0.392 44 HZ2 LYS 6 HZ2 LYS 6 16.525 -0.987 1.428 45 HZ3 LYS 6 HZ3 LYS 6 15.610 -2.359 1.483 46 H LEU 7 H LEU 7 11.670 -1.467 7.961 47 HA LEU 7 HA LEU 7 9.504 -1.767 6.216 48 HB2 LEU 7 HB2 LEU 7 9.924 -2.197 9.171 49 HB3 LEU 7 HB3 LEU 7 8.264 -2.127 8.636 50 HG LEU 7 HG LEU 7 9.008 -4.402 8.813 51 HD11 LEU 7 HD11 LEU 7 8.561 -3.703 5.886 52 HD12 LEU 7 HD12 LEU 7 8.232 -5.249 6.690 53 HD13 LEU 7 HD13 LEU 7 7.293 -3.815 7.129 54 HD21 LEU 7 HD21 LEU 7 11.370 -4.219 8.317 55 HD22 LEU 7 HD22 LEU 7 10.614 -5.394 7.227 56 HD23 LEU 7 HD23 LEU 7 11.029 -3.773 6.634 57 H ILE 8 H ILE 8 9.606 0.523 8.973 58 HA ILE 8 HA ILE 8 7.087 1.763 8.204 59 HB ILE 8 HB ILE 8 9.178 2.506 10.253 60 HG12 ILE 8 HG12 ILE 8 8.042 0.455 10.804 61 HG13 ILE 8 HG13 ILE 8 7.484 1.728 11.876 62 HG21 ILE 8 HG21 ILE 8 6.449 3.804 9.861 63 HG22 ILE 8 HG22 ILE 8 7.541 4.063 11.228 64 HG23 ILE 8 HG23 ILE 8 8.022 4.571 9.609 65 HD11 ILE 8 HD11 ILE 8 5.949 0.493 9.546 66 HD12 ILE 8 HD12 ILE 8 5.602 0.347 11.269 67 HD13 ILE 8 HD13 ILE 8 5.379 1.904 10.466 68 H SER 9 H SER 9 10.500 2.523 7.534 69 HA SER 9 HA SER 9 10.167 5.188 6.560 70 HB2 SER 9 HB2 SER 9 12.141 3.038 5.709 71 HB3 SER 9 HB3 SER 9 12.250 4.742 5.282 72 HG SER 9 HG SER 9 12.682 5.304 7.307 73 H LEU 10 H LEU 10 9.591 2.049 5.025 74 HA LEU 10 HA LEU 10 9.566 2.800 2.327 75 HB2 LEU 10 HB2 LEU 10 8.765 0.498 3.947 76 HB3 LEU 10 HB3 LEU 10 7.536 0.815 2.747 77 HG LEU 10 HG LEU 10 9.411 0.874 0.986 78 HD11 LEU 10 HD11 LEU 10 10.886 -0.465 3.291 79 HD12 LEU 10 HD12 LEU 10 11.463 -0.359 1.606 80 HD13 LEU 10 HD13 LEU 10 11.307 1.111 2.587 81 HD21 LEU 10 HD21 LEU 10 7.887 -1.024 1.190 82 HD22 LEU 10 HD22 LEU 10 9.525 -1.612 0.890 83 HD23 LEU 10 HD23 LEU 10 8.837 -1.690 2.534 84 H GLN 11 H GLN 11 7.150 3.747 4.690 85 HA GLN 11 HA GLN 11 4.812 3.587 3.097 86 HB2 GLN 11 HB2 GLN 11 5.597 5.019 5.604 87 HB3 GLN 11 HB3 GLN 11 4.009 5.269 4.857 88 HG2 GLN 11 HG2 GLN 11 3.561 2.848 4.901 89 HG3 GLN 11 HG3 GLN 11 5.162 2.564 5.617 90 HE21 GLN 11 HE22 GLN 11 5.613 3.721 7.705 91 HE22 GLN 11 HE21 GLN 11 4.249 3.826 8.826 92 H ALA 12 H ALA 12 3.388 5.450 2.523 93 HA ALA 12 HA ALA 12 4.898 7.164 0.631 94 HB1 ALA 12 HB1 ALA 12 1.947 6.437 0.780 95 HB2 ALA 12 HB2 ALA 12 2.785 7.189 -0.589 96 HB3 ALA 12 HB3 ALA 12 3.166 5.520 -0.128 97 H THR 13 H THR 13 2.576 7.479 3.271 98 HA THR 13 HA THR 13 1.942 9.139 4.620 99 HB THR 13 HB THR 13 3.984 11.073 3.592 100 HG1 THR 13 HG1 THR 13 5.541 10.065 4.738 101 HG21 THR 13 HG21 THR 13 3.037 10.313 6.390 102 HG22 THR 13 HG22 THR 13 4.235 11.569 5.994 103 HG23 THR 13 HG23 THR 13 2.555 11.767 5.496 104 H GLU 14 H GLU 14 1.820 9.753 1.282 105 HA GLU 14 HA GLU 14 -0.568 11.449 1.685 106 HB2 GLU 14 HB2 GLU 14 0.059 13.012 -0.029 107 HB3 GLU 14 HB3 GLU 14 1.277 12.996 1.245 108 HG2 GLU 14 HG2 GLU 14 2.701 11.529 -0.204 109 HG3 GLU 14 HG3 GLU 14 1.512 11.692 -1.501 110 H ALA 15 H ALA 15 -2.136 11.331 -0.052 111 HA ALA 15 HA ALA 15 -1.848 9.048 -1.909 112 HB1 ALA 15 HB1 ALA 15 -3.982 9.194 0.270 113 HB2 ALA 15 HB2 ALA 15 -3.829 7.935 -0.975 114 HB3 ALA 15 HB3 ALA 15 -2.582 8.100 0.276 115 H THR 16 H THR 16 -3.807 8.775 -3.191 116 HA THR 16 HA THR 16 -5.356 11.322 -3.674 117 HB THR 16 HB THR 16 -4.584 9.305 -5.784 118 HG1 THR 16 HG1 THR 16 -2.950 10.459 -6.200 119 HG21 THR 16 HG21 THR 16 -6.622 10.556 -6.342 120 HG22 THR 16 HG22 THR 16 -5.803 12.093 -5.985 121 HG23 THR 16 HG23 THR 16 -5.271 11.092 -7.354 122 H ILE 17 H ILE 17 -7.443 11.196 -3.315 123 HA ILE 17 HA ILE 17 -8.890 8.593 -3.161 124 HB ILE 17 HB ILE 17 -9.800 11.389 -2.320 125 HG12 ILE 17 HG12 ILE 17 -8.610 9.123 -0.661 126 HG13 ILE 17 HG13 ILE 17 -7.890 10.705 -0.944 127 HG21 ILE 17 HG21 ILE 17 -10.975 8.622 -1.749 128 HG22 ILE 17 HG22 ILE 17 -11.571 10.155 -1.078 129 HG23 ILE 17 HG23 ILE 17 -11.695 9.870 -2.786 130 HD11 ILE 17 HD11 ILE 17 -9.833 11.745 0.294 131 HD12 ILE 17 HD12 ILE 17 -10.335 10.098 0.754 132 HD13 ILE 17 HD13 ILE 17 -8.771 10.712 1.275 133 H VAL 18 H VAL 18 -10.696 8.128 -4.499 134 HA VAL 18 HA VAL 18 -11.368 10.155 -6.606 135 HB VAL 18 HB VAL 18 -11.798 7.178 -6.813 136 HG11 VAL 18 HG11 VAL 18 -13.320 8.484 -8.211 137 HG12 VAL 18 HG12 VAL 18 -11.964 9.436 -8.844 138 HG13 VAL 18 HG13 VAL 18 -12.100 7.703 -9.219 139 HG21 VAL 18 HG21 VAL 18 -9.926 7.215 -8.452 140 HG22 VAL 18 HG22 VAL 18 -9.511 8.847 -7.855 141 HG23 VAL 18 HG23 VAL 18 -9.429 7.447 -6.775 142 H THR 19 H THR 19 -13.266 11.052 -6.531 143 HA THR 19 HA THR 19 -15.546 9.861 -4.956 144 HB THR 19 HB THR 19 -14.632 12.763 -4.868 145 HG1 THR 19 HG1 THR 19 -13.170 11.367 -3.873 146 HG21 THR 19 HG21 THR 19 -16.645 11.198 -3.197 147 HG22 THR 19 HG22 THR 19 -16.026 12.810 -2.778 148 HG23 THR 19 HG23 THR 19 -16.969 12.597 -4.251 149 H LEU 20 H LEU 20 -17.722 10.600 -5.586 150 HA LEU 20 HA LEU 20 -17.886 11.472 -8.391 151 HB2 LEU 20 HB2 LEU 20 -20.146 10.997 -6.412 152 HB3 LEU 20 HB3 LEU 20 -20.303 11.277 -8.130 153 HG LEU 20 HG LEU 20 -18.882 8.849 -6.946 154 HD11 LEU 20 HD11 LEU 20 -21.688 9.153 -8.092 155 HD12 LEU 20 HD12 LEU 20 -20.905 7.615 -7.653 156 HD13 LEU 20 HD13 LEU 20 -21.262 8.814 -6.405 157 HD21 LEU 20 HD21 LEU 20 -18.101 9.389 -9.210 158 HD22 LEU 20 HD22 LEU 20 -19.122 7.951 -9.249 159 HD23 LEU 20 HD23 LEU 20 -19.771 9.523 -9.790 160 H ASP 21 H ASP 21 -18.539 13.378 -9.141 161 HA ASP 21 HA ASP 21 -19.191 15.577 -7.198 162 HB2 ASP 21 HB2 ASP 21 -17.111 15.492 -9.224 163 HB3 ASP 21 HB3 ASP 21 -18.277 16.753 -9.617 164 H SER 22 H SER 22 -20.388 13.689 -9.564 165 HA SER 22 HA SER 22 -22.924 15.047 -9.567 166 HB2 SER 22 HB2 SER 22 -21.674 14.661 -12.310 167 HB3 SER 22 HB3 SER 22 -23.356 15.086 -11.983 168 HG SER 22 HG SER 22 -22.398 16.973 -10.810 169 H ASP 23 H ASP 23 -24.498 13.732 -9.846 170 HA ASP 23 HA ASP 23 -24.724 11.364 -8.898 171 HB2 ASP 23 HB2 ASP 23 -26.565 12.836 -9.484 172 HB3 ASP 23 HB3 ASP 23 -26.473 12.357 -11.176 173 H ASN 24 H ASN 24 -22.832 10.283 -9.683 174 HA ASN 24 HA ASN 24 -21.847 8.317 -10.375 175 HB2 ASN 24 HB2 ASN 24 -24.181 7.672 -12.208 176 HB3 ASN 24 HB3 ASN 24 -22.961 6.573 -11.581 177 HD21 ASN 24 HD22 ASN 24 -23.076 6.298 -9.104 178 HD22 ASN 24 HD21 ASN 24 -24.708 6.518 -8.438 179 H ILE 25 H ILE 25 -23.227 10.589 -12.574 180 HA ILE 25 HA ILE 25 -21.852 9.914 -14.918 181 HB ILE 25 HB ILE 25 -22.962 12.043 -15.667 182 HG12 ILE 25 HG12 ILE 25 -24.089 12.237 -12.888 183 HG13 ILE 25 HG13 ILE 25 -22.846 13.280 -13.579 184 HG21 ILE 25 HG21 ILE 25 -24.689 9.991 -14.183 185 HG22 ILE 25 HG22 ILE 25 -25.212 11.011 -15.540 186 HG23 ILE 25 HG23 ILE 25 -23.978 9.768 -15.771 187 HD11 ILE 25 HD11 ILE 25 -24.441 13.997 -15.348 188 HD12 ILE 25 HD12 ILE 25 -25.711 13.020 -14.570 189 HD13 ILE 25 HD13 ILE 25 -24.994 14.388 -13.709 190 H LEU 26 H LEU 26 -20.735 11.884 -12.277 191 HA LEU 26 HA LEU 26 -18.313 12.348 -13.915 192 HB2 LEU 26 HB2 LEU 26 -19.634 14.405 -13.927 193 HB3 LEU 26 HB3 LEU 26 -19.462 14.528 -12.172 194 HG LEU 26 HG LEU 26 -16.902 14.080 -13.691 195 HD11 LEU 26 HD11 LEU 26 -18.415 16.685 -13.855 196 HD12 LEU 26 HD12 LEU 26 -16.712 16.418 -14.320 197 HD13 LEU 26 HD13 LEU 26 -18.019 15.574 -15.199 198 HD21 LEU 26 HD21 LEU 26 -17.010 14.547 -11.221 199 HD22 LEU 26 HD22 LEU 26 -16.047 15.712 -12.126 200 HD23 LEU 26 HD23 LEU 26 -17.681 16.152 -11.622 201 H LEU 27 H LEU 27 -16.597 11.950 -13.080 202 HA LEU 27 HA LEU 27 -16.151 11.334 -10.156 203 HB2 LEU 27 HB2 LEU 27 -14.761 10.246 -12.636 204 HB3 LEU 27 HB3 LEU 27 -14.066 10.141 -11.029 205 HG LEU 27 HG LEU 27 -16.048 8.845 -10.243 206 HD11 LEU 27 HD11 LEU 27 -17.379 7.649 -12.019 207 HD12 LEU 27 HD12 LEU 27 -17.786 9.354 -11.871 208 HD13 LEU 27 HD13 LEU 27 -16.752 8.806 -13.213 209 HD21 LEU 27 HD21 LEU 27 -13.924 7.795 -10.933 210 HD22 LEU 27 HD22 LEU 27 -15.310 6.768 -11.309 211 HD23 LEU 27 HD23 LEU 27 -14.514 7.691 -12.605 212 H SER 28 H SER 28 -14.512 12.281 -9.070 213 HA SER 28 HA SER 28 -12.448 13.906 -10.515 214 HB2 SER 28 HB2 SER 28 -14.043 15.509 -9.673 215 HB3 SER 28 HB3 SER 28 -14.068 14.763 -8.088 216 HG SER 28 HG SER 28 -12.312 15.849 -7.577 217 H GLU 29 H GLU 29 -10.329 13.870 -9.555 218 HA GLU 29 HA GLU 29 -10.055 11.993 -7.277 219 HB2 GLU 29 HB2 GLU 29 -7.789 12.505 -9.165 220 HB3 GLU 29 HB3 GLU 29 -8.011 11.275 -7.940 221 HG2 GLU 29 HG2 GLU 29 -8.466 9.910 -9.603 222 HG3 GLU 29 HG3 GLU 29 -10.081 10.561 -9.484 223 H GLU 30 H GLU 30 -9.107 12.688 -5.477 224 HA GLU 30 HA GLU 30 -8.304 15.564 -5.254 225 HB2 GLU 30 HB2 GLU 30 -9.555 13.801 -3.118 226 HB3 GLU 30 HB3 GLU 30 -9.381 15.542 -3.096 227 HG2 GLU 30 HG2 GLU 30 -11.263 13.929 -4.889 228 HG3 GLU 30 HG3 GLU 30 -11.689 14.688 -3.379 229 H GLN 31 H GLN 31 -6.238 15.969 -4.190 230 HA GLN 31 HA GLN 31 -4.843 13.541 -3.236 231 HB2 GLN 31 HB2 GLN 31 -3.722 16.296 -3.806 232 HB3 GLN 31 HB3 GLN 31 -2.839 14.828 -3.350 233 HG2 GLN 31 HG2 GLN 31 -4.048 13.793 -5.469 234 HG3 GLN 31 HG3 GLN 31 -4.079 15.492 -6.008 235 HE21 GLN 31 HE22 GLN 31 -2.340 12.656 -5.478 236 HE22 GLN 31 HE21 GLN 31 -0.988 13.432 -4.826 237 H VAL 32 H VAL 32 -4.172 13.213 -1.252 238 HA VAL 32 HA VAL 32 -4.849 15.128 0.945 239 HB VAL 32 HB VAL 32 -5.887 13.318 2.195 240 HG11 VAL 32 HG11 VAL 32 -7.246 13.565 -0.506 241 HG12 VAL 32 HG12 VAL 32 -7.988 13.182 1.061 242 HG13 VAL 32 HG13 VAL 32 -7.298 14.782 0.791 243 HG21 VAL 32 HG21 VAL 32 -4.741 11.362 1.185 244 HG22 VAL 32 HG22 VAL 32 -6.491 11.183 1.226 245 HG23 VAL 32 HG23 VAL 32 -5.688 11.597 -0.303 246 H ASP 33 H ASP 33 -4.111 14.488 3.029 247 HA ASP 33 HA ASP 33 -1.427 13.214 3.154 248 HB2 ASP 33 HB2 ASP 33 -1.823 15.332 4.359 249 HB3 ASP 33 HB3 ASP 33 -3.102 14.570 5.300 250 H VAL 34 H VAL 34 -1.033 11.334 4.441 251 HA VAL 34 HA VAL 34 -2.944 9.250 4.288 252 HB VAL 34 HB VAL 34 -0.491 8.989 4.384 253 HG11 VAL 34 HG11 VAL 34 -0.800 9.338 7.397 254 HG12 VAL 34 HG12 VAL 34 0.669 8.860 6.539 255 HG13 VAL 34 HG13 VAL 34 0.006 10.484 6.305 256 HG21 VAL 34 HG21 VAL 34 -0.444 6.867 5.490 257 HG22 VAL 34 HG22 VAL 34 -1.880 7.251 6.444 258 HG23 VAL 34 HG23 VAL 34 -2.009 7.049 4.681 259 H GLU 35 H GLU 35 -2.694 11.669 6.799 260 HA GLU 35 HA GLU 35 -4.228 10.239 8.813 261 HB2 GLU 35 HB2 GLU 35 -3.632 13.107 8.349 262 HB3 GLU 35 HB3 GLU 35 -4.556 12.541 9.736 263 HG2 GLU 35 HG2 GLU 35 -2.664 11.161 10.484 264 HG3 GLU 35 HG3 GLU 35 -1.710 11.647 9.075 265 H LEU 36 H LEU 36 -5.156 11.911 5.881 266 HA LEU 36 HA LEU 36 -7.915 12.409 6.849 267 HB2 LEU 36 HB2 LEU 36 -6.578 13.294 4.287 268 HB3 LEU 36 HB3 LEU 36 -8.064 13.929 4.986 269 HG LEU 36 HG LEU 36 -5.246 14.246 6.116 270 HD11 LEU 36 HD11 LEU 36 -7.150 16.284 4.909 271 HD12 LEU 36 HD12 LEU 36 -5.522 16.596 5.555 272 HD13 LEU 36 HD13 LEU 36 -5.718 15.600 4.106 273 HD21 LEU 36 HD21 LEU 36 -6.828 14.169 7.981 274 HD22 LEU 36 HD22 LEU 36 -6.255 15.820 7.729 275 HD23 LEU 36 HD23 LEU 36 -7.880 15.355 7.166 276 H VAL 37 H VAL 37 -6.439 9.917 5.215 277 HA VAL 37 HA VAL 37 -8.813 9.170 3.586 278 HB VAL 37 HB VAL 37 -6.802 8.810 2.411 279 HG11 VAL 37 HG11 VAL 37 -5.131 8.788 4.178 280 HG12 VAL 37 HG12 VAL 37 -5.735 7.235 4.794 281 HG13 VAL 37 HG13 VAL 37 -4.966 7.334 3.193 282 HG21 VAL 37 HG21 VAL 37 -8.460 7.028 2.189 283 HG22 VAL 37 HG22 VAL 37 -6.810 6.415 1.982 284 HG23 VAL 37 HG23 VAL 37 -7.675 6.099 3.491 285 H GLN 38 H GLN 38 -10.138 7.481 4.156 286 HA GLN 38 HA GLN 38 -9.740 6.304 6.885 287 HB2 GLN 38 HB2 GLN 38 -12.101 6.294 7.201 288 HB3 GLN 38 HB3 GLN 38 -11.596 7.929 6.825 289 HG2 GLN 38 HG2 GLN 38 -12.753 7.947 4.788 290 HG3 GLN 38 HG3 GLN 38 -12.635 6.203 4.558 291 HE21 GLN 38 HE22 GLN 38 -14.262 8.592 6.626 292 HE22 GLN 38 HE21 GLN 38 -15.568 7.456 7.015 293 H ARG 39 H ARG 39 -10.907 4.316 7.268 294 HA ARG 39 HA ARG 39 -10.243 2.224 5.410 295 HB2 ARG 39 HB2 ARG 39 -10.932 0.744 7.139 296 HB3 ARG 39 HB3 ARG 39 -10.196 2.139 7.925 297 HG2 ARG 39 HG2 ARG 39 -12.632 3.033 8.202 298 HG3 ARG 39 HG3 ARG 39 -13.125 1.381 7.754 299 HD2 ARG 39 HD2 ARG 39 -11.526 0.579 9.592 300 HD3 ARG 39 HD3 ARG 39 -11.408 2.250 10.082 301 HE ARG 39 HE ARG 39 -13.752 2.195 10.746 302 HH11 ARG 39 HH11 ARG 39 -12.669 -1.058 9.749 303 HH12 ARG 39 HH12 ARG 39 -14.191 -1.734 10.278 304 HH21 ARG 39 HH21 ARG 39 -15.523 1.175 11.428 305 HH22 ARG 39 HH22 ARG 39 -15.692 -0.580 11.175 306 H GLY 40 H GLY 40 -12.109 4.041 4.235 307 HA2 GLY 40 HA2 GLY 40 -13.943 2.127 3.002 308 HA3 GLY 40 HA3 GLY 40 -14.736 3.469 3.841 309 H ASP 41 H ASP 41 -11.677 4.420 2.449 310 HA ASP 41 HA ASP 41 -13.091 5.866 0.275 311 HB2 ASP 41 HB2 ASP 41 -10.336 6.097 1.509 312 HB3 ASP 41 HB3 ASP 41 -10.843 7.021 0.095 313 H ILE 42 H ILE 42 -12.412 5.869 -1.889 314 HA ILE 42 HA ILE 42 -10.951 3.429 -2.810 315 HB ILE 42 HB ILE 42 -12.762 5.302 -4.346 316 HG12 ILE 42 HG12 ILE 42 -14.107 4.007 -2.803 317 HG13 ILE 42 HG13 ILE 42 -14.330 3.428 -4.439 318 HG21 ILE 42 HG21 ILE 42 -11.323 2.743 -5.182 319 HG22 ILE 42 HG22 ILE 42 -12.606 3.542 -6.122 320 HG23 ILE 42 HG23 ILE 42 -11.078 4.377 -5.827 321 HD11 ILE 42 HD11 ILE 42 -12.675 2.053 -2.285 322 HD12 ILE 42 HD12 ILE 42 -14.268 1.564 -2.876 323 HD13 ILE 42 HD13 ILE 42 -12.870 1.469 -3.959 324 H ILE 43 H ILE 43 -8.843 3.701 -3.262 325 HA ILE 43 HA ILE 43 -7.784 6.326 -3.886 326 HB ILE 43 HB ILE 43 -6.533 3.681 -3.056 327 HG12 ILE 43 HG12 ILE 43 -7.942 4.442 -1.264 328 HG13 ILE 43 HG13 ILE 43 -6.275 4.699 -0.811 329 HG21 ILE 43 HG21 ILE 43 -5.188 6.397 -3.175 330 HG22 ILE 43 HG22 ILE 43 -4.545 4.982 -2.335 331 HG23 ILE 43 HG23 ILE 43 -4.754 4.923 -4.074 332 HD11 ILE 43 HD11 ILE 43 -6.500 7.134 -1.341 333 HD12 ILE 43 HD12 ILE 43 -8.204 6.859 -1.781 334 HD13 ILE 43 HD13 ILE 43 -7.674 6.588 -0.130 335 H LYS 44 H LYS 44 -5.825 6.357 -5.248 336 HA LYS 44 HA LYS 44 -5.997 4.812 -7.776 337 HB2 LYS 44 HB2 LYS 44 -7.430 6.757 -8.181 338 HB3 LYS 44 HB3 LYS 44 -6.045 7.833 -7.884 339 HG2 LYS 44 HG2 LYS 44 -4.795 6.774 -9.706 340 HG3 LYS 44 HG3 LYS 44 -6.061 5.555 -9.926 341 HD2 LYS 44 HD2 LYS 44 -6.473 8.527 -10.356 342 HD3 LYS 44 HD3 LYS 44 -5.964 7.370 -11.607 343 HE2 LYS 44 HE2 LYS 44 -8.040 6.020 -11.035 344 HE3 LYS 44 HE3 LYS 44 -8.619 7.430 -10.132 345 HZ1 LYS 44 HZ1 LYS 44 -8.608 8.702 -12.169 346 HZ2 LYS 44 HZ2 LYS 44 -7.815 7.509 -12.989 347 HZ3 LYS 44 HZ3 LYS 44 -9.347 7.259 -12.523 348 H VAL 45 H VAL 45 -3.997 4.166 -8.370 349 HA VAL 45 HA VAL 45 -1.643 5.722 -7.391 350 HB VAL 45 HB VAL 45 -2.235 3.448 -6.345 351 HG11 VAL 45 HG11 VAL 45 -0.854 2.393 -8.853 352 HG12 VAL 45 HG12 VAL 45 -1.326 1.465 -7.416 353 HG13 VAL 45 HG13 VAL 45 -2.567 2.195 -8.452 354 HG21 VAL 45 HG21 VAL 45 -0.071 4.637 -6.001 355 HG22 VAL 45 HG22 VAL 45 0.146 2.882 -6.059 356 HG23 VAL 45 HG23 VAL 45 0.587 3.868 -7.464 357 H VAL 46 H VAL 46 -0.011 6.239 -8.708 358 HA VAL 46 HA VAL 46 -0.232 5.647 -11.578 359 HB VAL 46 HB VAL 46 1.425 7.371 -11.907 360 HG11 VAL 46 HG11 VAL 46 -0.952 8.021 -11.610 361 HG12 VAL 46 HG12 VAL 46 -0.635 8.335 -9.888 362 HG13 VAL 46 HG13 VAL 46 0.187 9.289 -11.133 363 HG21 VAL 46 HG21 VAL 46 2.894 7.045 -9.967 364 HG22 VAL 46 HG22 VAL 46 2.333 8.715 -10.068 365 HG23 VAL 46 HG23 VAL 46 1.612 7.617 -8.878 366 HA PRO 47 HA PRO 47 3.104 2.711 -11.827 367 HB2 PRO 47 HB2 PRO 47 4.311 4.128 -14.147 368 HB3 PRO 47 HB3 PRO 47 3.668 2.467 -14.046 369 HG2 PRO 47 HG2 PRO 47 2.339 4.479 -15.366 370 HG3 PRO 47 HG3 PRO 47 1.485 3.170 -14.496 371 HD2 PRO 47 HD2 PRO 47 2.002 5.987 -13.595 372 HD3 PRO 47 HD3 PRO 47 0.543 4.967 -13.408 373 H GLY 48 H GLY 48 5.089 2.482 -10.853 374 HA2 GLY 48 HA2 GLY 48 7.161 3.028 -9.970 375 HA3 GLY 48 HA3 GLY 48 7.001 4.689 -10.536 376 H GLY 49 H GLY 49 4.132 4.366 -9.059 377 HA2 GLY 49 HA2 GLY 49 4.992 5.748 -6.629 378 HA3 GLY 49 HA3 GLY 49 3.346 5.491 -7.192 379 H LYS 50 H LYS 50 3.693 5.303 -4.609 380 HA LYS 50 HA LYS 50 4.040 2.438 -3.808 381 HB2 LYS 50 HB2 LYS 50 4.088 5.037 -2.235 382 HB3 LYS 50 HB3 LYS 50 4.246 3.425 -1.523 383 HG2 LYS 50 HG2 LYS 50 6.309 3.023 -2.772 384 HG3 LYS 50 HG3 LYS 50 6.189 4.617 -3.562 385 HD2 LYS 50 HD2 LYS 50 6.349 5.758 -1.410 386 HD3 LYS 50 HD3 LYS 50 6.255 4.209 -0.555 387 HE2 LYS 50 HE2 LYS 50 8.386 3.518 -1.715 388 HE3 LYS 50 HE3 LYS 50 8.531 5.167 -2.344 389 HZ1 LYS 50 HZ1 LYS 50 9.745 4.842 -0.212 390 HZ2 LYS 50 HZ2 LYS 50 8.593 5.983 -0.049 391 HZ3 LYS 50 HZ3 LYS 50 8.318 4.469 0.532 392 H PHE 51 H PHE 51 2.655 1.431 -2.391 393 HA PHE 51 HA PHE 51 -0.160 2.299 -2.403 394 HB2 PHE 51 HB2 PHE 51 1.169 -0.159 -1.235 395 HB3 PHE 51 HB3 PHE 51 -0.565 0.155 -1.240 396 HD1 PHE 51 HD2 PHE 51 -1.787 0.359 -3.472 397 HD2 PHE 51 HD1 PHE 51 2.266 -1.058 -3.168 398 HE1 PHE 51 HE2 PHE 51 -1.958 -0.633 -5.749 399 HE2 PHE 51 HE1 PHE 51 2.132 -1.955 -5.462 400 HZ PHE 51 HZ PHE 51 0.013 -1.770 -6.760 401 HA PRO 52 HA PRO 52 0.795 4.411 1.417 402 HB2 PRO 52 HB2 PRO 52 -1.443 5.918 1.753 403 HB3 PRO 52 HB3 PRO 52 -0.330 6.159 0.374 404 HG2 PRO 52 HG2 PRO 52 -2.908 4.559 0.407 405 HG3 PRO 52 HG3 PRO 52 -2.396 5.810 -0.772 406 HD2 PRO 52 HD2 PRO 52 -2.040 3.142 -1.239 407 HD3 PRO 52 HD3 PRO 52 -0.865 4.373 -1.795 408 H VAL 53 H VAL 53 -1.743 2.056 1.378 409 HA VAL 53 HA VAL 53 -1.727 1.559 4.175 410 HB VAL 53 HB VAL 53 -4.196 1.630 4.504 411 HG11 VAL 53 HG11 VAL 53 -3.011 4.400 4.154 412 HG12 VAL 53 HG12 VAL 53 -4.325 3.903 5.236 413 HG13 VAL 53 HG13 VAL 53 -2.678 3.317 5.522 414 HG21 VAL 53 HG21 VAL 53 -4.210 3.546 2.145 415 HG22 VAL 53 HG22 VAL 53 -4.901 1.905 2.144 416 HG23 VAL 53 HG23 VAL 53 -5.573 3.154 3.210 417 H ASP 54 H ASP 54 -3.134 -0.458 4.596 418 HA ASP 54 HA ASP 54 -2.599 -2.238 2.305 419 HB2 ASP 54 HB2 ASP 54 -2.068 -3.824 3.652 420 HB3 ASP 54 HB3 ASP 54 -1.749 -2.522 4.764 421 H GLY 55 H GLY 55 -4.052 -3.541 1.250 422 HA2 GLY 55 HA2 GLY 55 -6.756 -4.040 1.864 423 HA3 GLY 55 HA3 GLY 55 -6.709 -2.491 1.023 424 H ARG 56 H ARG 56 -8.057 -3.643 -0.508 425 HA ARG 56 HA ARG 56 -6.708 -5.579 -2.306 426 HB2 ARG 56 HB2 ARG 56 -8.697 -6.281 -1.071 427 HB3 ARG 56 HB3 ARG 56 -9.619 -4.965 -1.792 428 HG2 ARG 56 HG2 ARG 56 -9.438 -6.004 -4.013 429 HG3 ARG 56 HG3 ARG 56 -8.381 -7.263 -3.362 430 HD2 ARG 56 HD2 ARG 56 -10.689 -8.089 -3.620 431 HD3 ARG 56 HD3 ARG 56 -10.130 -8.123 -1.950 432 HE ARG 56 HE ARG 56 -11.512 -6.217 -1.422 433 HH11 ARG 56 HH11 ARG 56 -12.445 -7.621 -4.583 434 HH12 ARG 56 HH12 ARG 56 -13.908 -6.666 -4.550 435 HH21 ARG 56 HH21 ARG 56 -13.489 -5.163 -1.577 436 HH22 ARG 56 HH22 ARG 56 -14.531 -5.594 -2.910 437 H VAL 57 H VAL 57 -6.498 -5.346 -4.406 438 HA VAL 57 HA VAL 57 -6.867 -2.719 -5.731 439 HB VAL 57 HB VAL 57 -5.431 -5.243 -6.667 440 HG11 VAL 57 HG11 VAL 57 -5.431 -2.396 -7.769 441 HG12 VAL 57 HG12 VAL 57 -4.385 -3.719 -8.332 442 HG13 VAL 57 HG13 VAL 57 -6.123 -3.833 -8.557 443 HG21 VAL 57 HG21 VAL 57 -4.238 -4.312 -4.734 444 HG22 VAL 57 HG22 VAL 57 -3.330 -4.011 -6.216 445 HG23 VAL 57 HG23 VAL 57 -4.262 -2.696 -5.470 446 H ILE 58 H ILE 58 -8.406 -2.456 -7.279 447 HA ILE 58 HA ILE 58 -9.904 -4.816 -8.346 448 HB ILE 58 HB ILE 58 -12.053 -3.500 -7.799 449 HG12 ILE 58 HG12 ILE 58 -10.296 -2.330 -5.611 450 HG13 ILE 58 HG13 ILE 58 -10.675 -1.418 -7.089 451 HG21 ILE 58 HG21 ILE 58 -11.315 -5.638 -6.708 452 HG22 ILE 58 HG22 ILE 58 -10.575 -4.662 -5.421 453 HG23 ILE 58 HG23 ILE 58 -12.323 -4.596 -5.702 454 HD11 ILE 58 HD11 ILE 58 -12.708 -2.392 -5.043 455 HD12 ILE 58 HD12 ILE 58 -12.199 -0.721 -5.357 456 HD13 ILE 58 HD13 ILE 58 -13.102 -1.608 -6.597 457 H GLU 59 H GLU 59 -8.007 -2.910 -9.554 458 HA GLU 59 HA GLU 59 -9.358 -2.823 -12.086 459 HB2 GLU 59 HB2 GLU 59 -10.132 -0.619 -11.046 460 HB3 GLU 59 HB3 GLU 59 -8.439 -0.169 -10.882 461 HG2 GLU 59 HG2 GLU 59 -9.370 0.888 -12.837 462 HG3 GLU 59 HG3 GLU 59 -8.160 -0.272 -13.352 463 H GLY 60 H GLY 60 -7.762 -3.238 -13.617 464 HA2 GLY 60 HA2 GLY 60 -5.780 -2.813 -14.760 465 HA3 GLY 60 HA3 GLY 60 -5.173 -1.896 -13.399 466 H HIS 61 H HIS 61 -3.294 -3.081 -14.291 467 HA HIS 61 HA HIS 61 -2.803 -5.688 -12.928 468 HB2 HIS 61 HB2 HIS 61 -1.942 -6.689 -15.031 469 HB3 HIS 61 HB3 HIS 61 -3.677 -6.428 -14.999 470 HD1 HIS 61 HD1 HIS 61 -4.668 -4.555 -16.682 471 HD2 HIS 61 HD2 HIS 61 -0.561 -5.441 -16.976 472 HE1 HIS 61 HE1 HIS 61 -3.871 -3.536 -18.883 473 H SER 62 H SER 62 -0.850 -5.817 -12.032 474 HA SER 62 HA SER 62 1.430 -4.428 -13.192 475 HB2 SER 62 HB2 SER 62 0.149 -3.485 -10.630 476 HB3 SER 62 HB3 SER 62 1.870 -3.206 -10.886 477 HG SER 62 HG SER 62 -0.015 -2.566 -12.900 478 H MET 63 H MET 63 3.488 -4.644 -11.961 479 HA MET 63 HA MET 63 3.587 -7.126 -10.326 480 HB2 MET 63 HB2 MET 63 4.557 -7.477 -12.534 481 HB3 MET 63 HB3 MET 63 5.640 -6.097 -12.322 482 HG2 MET 63 HG2 MET 63 6.911 -7.176 -10.693 483 HG3 MET 63 HG3 MET 63 5.651 -8.357 -10.306 484 HE1 MET 63 HE1 MET 63 5.337 -10.618 -11.371 485 HE2 MET 63 HE2 MET 63 4.730 -9.809 -12.837 486 HE3 MET 63 HE3 MET 63 5.953 -11.088 -12.968 487 H VAL 64 H VAL 64 4.068 -6.733 -8.318 488 HA VAL 64 HA VAL 64 4.988 -4.019 -7.513 489 HB VAL 64 HB VAL 64 3.214 -6.082 -6.166 490 HG11 VAL 64 HG11 VAL 64 4.087 -3.376 -5.073 491 HG12 VAL 64 HG12 VAL 64 2.794 -4.398 -4.410 492 HG13 VAL 64 HG13 VAL 64 4.458 -4.972 -4.382 493 HG21 VAL 64 HG21 VAL 64 2.092 -4.849 -7.946 494 HG22 VAL 64 HG22 VAL 64 1.529 -4.227 -6.388 495 HG23 VAL 64 HG23 VAL 64 2.717 -3.306 -7.329 496 H ASP 65 H ASP 65 6.661 -3.636 -6.186 497 HA ASP 65 HA ASP 65 8.510 -5.837 -5.587 498 HB2 ASP 65 HB2 ASP 65 9.193 -3.768 -6.787 499 HB3 ASP 65 HB3 ASP 65 8.753 -2.808 -5.377 500 H GLU 66 H GLU 66 7.019 -6.782 -3.989 501 HA GLU 66 HA GLU 66 6.868 -5.380 -1.371 502 HB2 GLU 66 HB2 GLU 66 5.313 -7.136 -0.719 503 HB3 GLU 66 HB3 GLU 66 4.773 -6.309 -2.179 504 HG2 GLU 66 HG2 GLU 66 5.472 -8.165 -3.573 505 HG3 GLU 66 HG3 GLU 66 6.256 -8.971 -2.209 506 H SER 67 H SER 67 9.246 -7.094 -2.819 507 HA SER 67 HA SER 67 9.656 -9.356 -1.286 508 HB2 SER 67 HB2 SER 67 12.042 -7.841 -2.319 509 HB3 SER 67 HB3 SER 67 11.656 -9.550 -2.348 510 HG SER 67 HG SER 67 11.443 -7.949 -4.294 511 H LEU 68 H LEU 68 10.533 -6.055 -0.342 512 HA LEU 68 HA LEU 68 12.270 -6.938 1.838 513 HB2 LEU 68 HB2 LEU 68 12.463 -4.784 0.652 514 HB3 LEU 68 HB3 LEU 68 10.884 -4.280 1.206 515 HG LEU 68 HG LEU 68 12.985 -3.278 2.245 516 HD11 LEU 68 HD11 LEU 68 10.941 -4.340 4.215 517 HD12 LEU 68 HD12 LEU 68 12.018 -2.952 4.421 518 HD13 LEU 68 HD13 LEU 68 10.754 -2.913 3.182 519 HD21 LEU 68 HD21 LEU 68 14.099 -4.353 4.048 520 HD22 LEU 68 HD22 LEU 68 13.017 -5.749 4.005 521 HD23 LEU 68 HD23 LEU 68 14.141 -5.463 2.668 522 H ILE 69 H ILE 69 8.854 -6.835 1.434 523 HA ILE 69 HA ILE 69 8.313 -6.753 4.351 524 HB ILE 69 HB ILE 69 6.179 -7.303 2.303 525 HG12 ILE 69 HG12 ILE 69 7.373 -5.221 1.458 526 HG13 ILE 69 HG13 ILE 69 5.669 -5.144 1.755 527 HG21 ILE 69 HG21 ILE 69 4.842 -6.102 4.125 528 HG22 ILE 69 HG22 ILE 69 5.616 -7.609 4.622 529 HG23 ILE 69 HG23 ILE 69 6.316 -6.046 5.077 530 HD11 ILE 69 HD11 ILE 69 6.737 -3.102 2.487 531 HD12 ILE 69 HD12 ILE 69 5.982 -3.949 3.832 532 HD13 ILE 69 HD13 ILE 69 7.757 -4.018 3.632 533 H THR 70 H THR 70 7.885 -8.960 1.540 534 HA THR 70 HA THR 70 7.194 -11.199 3.375 535 HB THR 70 HB THR 70 6.460 -12.330 1.269 536 HG1 THR 70 HG1 THR 70 6.124 -10.633 -0.434 537 HG21 THR 70 HG21 THR 70 4.451 -11.050 0.999 538 HG22 THR 70 HG22 THR 70 4.914 -10.948 2.702 539 HG23 THR 70 HG23 THR 70 5.215 -9.570 1.617 540 H GLY 71 H GLY 71 9.958 -10.139 1.748 541 HA2 GLY 71 HA2 GLY 71 12.080 -10.989 1.866 542 HA3 GLY 71 HA3 GLY 71 11.465 -12.448 2.660 543 H GLU 72 H GLU 72 9.663 -12.270 -0.113 544 HA GLU 72 HA GLU 72 10.773 -14.492 -1.392 545 HB2 GLU 72 HB2 GLU 72 9.093 -12.285 -2.627 546 HB3 GLU 72 HB3 GLU 72 9.306 -13.884 -3.321 547 HG2 GLU 72 HG2 GLU 72 7.954 -13.351 -0.641 548 HG3 GLU 72 HG3 GLU 72 7.130 -13.489 -2.177 549 H ALA 73 H ALA 73 12.501 -11.839 -1.334 550 HA ALA 73 HA ALA 73 13.592 -10.269 -2.642 551 HB1 ALA 73 HB1 ALA 73 14.963 -12.890 -3.166 552 HB2 ALA 73 HB2 ALA 73 15.676 -11.268 -2.980 553 HB3 ALA 73 HB3 ALA 73 14.921 -12.050 -1.591 554 H MET 74 H MET 74 11.324 -11.021 -4.217 555 HA MET 74 HA MET 74 12.130 -10.275 -6.881 556 HB2 MET 74 HB2 MET 74 12.756 -12.424 -7.341 557 HB3 MET 74 HB3 MET 74 11.754 -13.128 -6.100 558 HG2 MET 74 HG2 MET 74 9.844 -13.120 -7.283 559 HG3 MET 74 HG3 MET 74 10.441 -12.050 -8.563 560 HE1 MET 74 HE1 MET 74 11.424 -12.856 -10.773 561 HE2 MET 74 HE2 MET 74 12.896 -12.938 -9.790 562 HE3 MET 74 HE3 MET 74 12.476 -14.279 -10.881 563 HA PRO 75 HA PRO 75 8.152 -8.591 -6.184 564 HB2 PRO 75 HB2 PRO 75 7.476 -7.588 -8.623 565 HB3 PRO 75 HB3 PRO 75 8.852 -6.970 -7.670 566 HG2 PRO 75 HG2 PRO 75 8.953 -9.055 -9.885 567 HG3 PRO 75 HG3 PRO 75 9.924 -7.550 -9.743 568 HD2 PRO 75 HD2 PRO 75 10.917 -9.920 -8.862 569 HD3 PRO 75 HD3 PRO 75 11.168 -8.421 -7.916 570 H VAL 76 H VAL 76 5.897 -8.573 -6.720 571 HA VAL 76 HA VAL 76 4.868 -11.269 -7.573 572 HB VAL 76 HB VAL 76 3.917 -9.506 -5.283 573 HG11 VAL 76 HG11 VAL 76 2.070 -10.884 -6.173 574 HG12 VAL 76 HG12 VAL 76 3.099 -12.334 -6.093 575 HG13 VAL 76 HG13 VAL 76 2.603 -11.504 -4.607 576 HG21 VAL 76 HG21 VAL 76 6.110 -10.565 -4.753 577 HG22 VAL 76 HG22 VAL 76 4.806 -11.277 -3.807 578 HG23 VAL 76 HG23 VAL 76 5.435 -12.148 -5.207 579 H ALA 77 H ALA 77 3.078 -11.378 -8.853 580 HA ALA 77 HA ALA 77 2.235 -8.919 -10.176 581 HB1 ALA 77 HB1 ALA 77 1.376 -11.793 -10.604 582 HB2 ALA 77 HB2 ALA 77 1.061 -10.426 -11.693 583 HB3 ALA 77 HB3 ALA 77 2.723 -10.983 -11.427 584 H LYS 78 H LYS 78 0.354 -7.919 -10.129 585 HA LYS 78 HA LYS 78 -1.873 -8.823 -8.327 586 HB2 LYS 78 HB2 LYS 78 -0.970 -5.957 -8.783 587 HB3 LYS 78 HB3 LYS 78 -2.200 -6.509 -7.648 588 HG2 LYS 78 HG2 LYS 78 0.779 -7.131 -7.468 589 HG3 LYS 78 HG3 LYS 78 -0.057 -5.861 -6.593 590 HD2 LYS 78 HD2 LYS 78 -1.349 -7.488 -5.315 591 HD3 LYS 78 HD3 LYS 78 -0.694 -8.829 -6.274 592 HE2 LYS 78 HE2 LYS 78 1.593 -8.302 -5.518 593 HE3 LYS 78 HE3 LYS 78 0.982 -6.940 -4.566 594 HZ1 LYS 78 HZ1 LYS 78 0.228 -9.773 -4.116 595 HZ2 LYS 78 HZ2 LYS 78 1.348 -8.923 -3.236 596 HZ3 LYS 78 HZ3 LYS 78 -0.241 -8.477 -3.197 597 H LYS 79 H LYS 79 -3.984 -8.116 -8.859 598 HA LYS 79 HA LYS 79 -4.724 -7.235 -11.548 599 HB2 LYS 79 HB2 LYS 79 -5.927 -9.369 -12.016 600 HB3 LYS 79 HB3 LYS 79 -4.186 -9.566 -11.981 601 HG2 LYS 79 HG2 LYS 79 -4.282 -10.635 -9.793 602 HG3 LYS 79 HG3 LYS 79 -5.988 -10.221 -9.608 603 HD2 LYS 79 HD2 LYS 79 -5.693 -12.572 -10.183 604 HD3 LYS 79 HD3 LYS 79 -6.621 -11.701 -11.407 605 HE2 LYS 79 HE2 LYS 79 -4.688 -11.611 -12.900 606 HE3 LYS 79 HE3 LYS 79 -3.646 -12.323 -11.658 607 HZ1 LYS 79 HZ1 LYS 79 -4.920 -14.349 -11.785 608 HZ2 LYS 79 HZ2 LYS 79 -5.968 -13.694 -12.865 609 HZ3 LYS 79 HZ3 LYS 79 -4.413 -13.953 -13.322 610 HA PRO 80 HA PRO 80 -8.385 -6.164 -9.124 611 HB2 PRO 80 HB2 PRO 80 -10.587 -7.160 -10.543 612 HB3 PRO 80 HB3 PRO 80 -9.771 -5.595 -10.822 613 HG2 PRO 80 HG2 PRO 80 -9.361 -8.200 -12.287 614 HG3 PRO 80 HG3 PRO 80 -9.465 -6.548 -12.956 615 HD2 PRO 80 HD2 PRO 80 -7.074 -7.742 -12.616 616 HD3 PRO 80 HD3 PRO 80 -7.294 -6.012 -12.254 617 H GLY 81 H GLY 81 -9.279 -7.038 -7.343 618 HA2 GLY 81 HA2 GLY 81 -9.954 -8.643 -5.795 619 HA3 GLY 81 HA3 GLY 81 -9.892 -9.904 -7.028 620 H SER 82 H SER 82 -7.192 -7.695 -6.193 621 HA SER 82 HA SER 82 -5.657 -9.998 -5.010 622 HB2 SER 82 HB2 SER 82 -4.968 -9.363 -7.380 623 HB3 SER 82 HB3 SER 82 -4.474 -7.790 -6.719 624 HG SER 82 HG SER 82 -3.522 -10.382 -6.063 625 H THR 83 H THR 83 -3.839 -9.198 -3.480 626 HA THR 83 HA THR 83 -4.819 -6.727 -2.094 627 HB THR 83 HB THR 83 -4.350 -7.731 0.035 628 HG1 THR 83 HG1 THR 83 -2.889 -9.209 -0.131 629 HG21 THR 83 HG21 THR 83 -6.158 -9.327 0.143 630 HG22 THR 83 HG22 THR 83 -6.625 -8.056 -0.997 631 HG23 THR 83 HG23 THR 83 -6.084 -9.636 -1.601 632 H VAL 84 H VAL 84 -3.451 -5.537 -0.826 633 HA VAL 84 HA VAL 84 -0.522 -5.834 -1.238 634 HB VAL 84 HB VAL 84 -0.301 -3.394 -1.459 635 HG11 VAL 84 HG11 VAL 84 -0.234 -4.870 -3.434 636 HG12 VAL 84 HG12 VAL 84 -1.984 -4.666 -3.655 637 HG13 VAL 84 HG13 VAL 84 -0.894 -3.274 -3.818 638 HG21 VAL 84 HG21 VAL 84 -2.187 -1.999 -2.132 639 HG22 VAL 84 HG22 VAL 84 -3.313 -3.352 -1.939 640 HG23 VAL 84 HG23 VAL 84 -2.489 -2.662 -0.521 641 H ILE 85 H ILE 85 0.780 -4.955 0.338 642 HA ILE 85 HA ILE 85 -0.412 -4.858 3.035 643 HB ILE 85 HB ILE 85 1.820 -5.391 3.887 644 HG12 ILE 85 HG12 ILE 85 3.389 -4.444 2.446 645 HG13 ILE 85 HG13 ILE 85 3.605 -6.187 2.406 646 HG21 ILE 85 HG21 ILE 85 1.966 -7.676 3.169 647 HG22 ILE 85 HG22 ILE 85 0.265 -7.206 3.339 648 HG23 ILE 85 HG23 ILE 85 0.991 -7.346 1.726 649 HD11 ILE 85 HD11 ILE 85 3.976 -5.391 0.217 650 HD12 ILE 85 HD12 ILE 85 2.449 -6.276 0.211 651 HD13 ILE 85 HD13 ILE 85 2.463 -4.484 0.200 652 H ALA 86 H ALA 86 0.492 -2.550 0.976 653 HA ALA 86 HA ALA 86 1.036 -0.369 1.092 654 HB1 ALA 86 HB1 ALA 86 0.864 0.951 3.019 655 HB2 ALA 86 HB2 ALA 86 -0.303 -0.369 3.270 656 HB3 ALA 86 HB3 ALA 86 1.248 -0.395 4.100 657 H GLY 87 H GLY 87 2.808 1.022 1.276 658 HA2 GLY 87 HA2 GLY 87 5.057 1.673 1.647 659 HA3 GLY 87 HA3 GLY 87 5.389 0.102 2.394 660 H SER 88 H SER 88 4.738 -1.726 0.536 661 HA SER 88 HA SER 88 6.651 -1.855 -1.373 662 HB2 SER 88 HB2 SER 88 5.355 -3.532 -2.584 663 HB3 SER 88 HB3 SER 88 5.230 -3.746 -0.837 664 HG SER 88 HG SER 88 3.212 -3.930 -1.995 665 H ILE 89 H ILE 89 6.860 -1.722 -3.636 666 HA ILE 89 HA ILE 89 5.677 0.809 -4.643 667 HB ILE 89 HB ILE 89 8.029 -0.270 -6.061 668 HG12 ILE 89 HG12 ILE 89 8.795 -0.872 -3.794 669 HG13 ILE 89 HG13 ILE 89 9.764 0.338 -4.600 670 HG21 ILE 89 HG21 ILE 89 7.012 1.894 -6.579 671 HG22 ILE 89 HG22 ILE 89 7.320 2.470 -4.924 672 HG23 ILE 89 HG23 ILE 89 8.674 2.111 -6.003 673 HD11 ILE 89 HD11 ILE 89 9.419 0.778 -2.166 674 HD12 ILE 89 HD12 ILE 89 8.910 2.113 -3.210 675 HD13 ILE 89 HD13 ILE 89 7.694 1.037 -2.487 676 H ASN 90 H ASN 90 4.682 0.938 -6.570 677 HA ASN 90 HA ASN 90 4.069 -1.541 -8.110 678 HB2 ASN 90 HB2 ASN 90 2.226 0.029 -7.579 679 HB3 ASN 90 HB3 ASN 90 3.117 1.348 -8.330 680 HD21 ASN 90 HD22 ASN 90 0.730 1.150 -9.266 681 HD22 ASN 90 HD21 ASN 90 0.757 0.458 -10.881 682 H GLN 91 H GLN 91 5.191 -2.053 -9.970 683 HA GLN 91 HA GLN 91 6.501 0.144 -11.410 684 HB2 GLN 91 HB2 GLN 91 8.184 -1.084 -9.868 685 HB3 GLN 91 HB3 GLN 91 8.053 -2.405 -11.028 686 HG2 GLN 91 HG2 GLN 91 9.857 -1.099 -11.861 687 HG3 GLN 91 HG3 GLN 91 8.473 -0.595 -12.857 688 HE21 GLN 91 HE22 GLN 91 10.218 0.288 -9.831 689 HE22 GLN 91 HE21 GLN 91 9.826 2.009 -9.933 690 H ASN 92 H ASN 92 4.357 -0.369 -12.473 691 HA ASN 92 HA ASN 92 5.072 -1.608 -14.971 692 HB2 ASN 92 HB2 ASN 92 4.415 -3.648 -13.747 693 HB3 ASN 92 HB3 ASN 92 2.845 -2.929 -13.420 694 HD21 ASN 92 HD22 ASN 92 1.188 -3.218 -15.149 695 HD22 ASN 92 HD21 ASN 92 1.701 -3.838 -16.716 696 H GLY 93 H GLY 93 2.053 -0.658 -13.208 697 HA2 GLY 93 HA2 GLY 93 1.225 1.129 -15.427 698 HA3 GLY 93 HA3 GLY 93 0.346 -0.381 -15.297 699 H SER 94 H SER 94 -1.391 1.381 -15.196 700 HA SER 94 HA SER 94 -1.587 2.815 -12.629 701 HB2 SER 94 HB2 SER 94 -2.945 4.326 -13.738 702 HB3 SER 94 HB3 SER 94 -1.803 3.835 -14.969 703 HG SER 94 HG SER 94 -3.530 3.441 -16.104 704 H LEU 95 H LEU 95 -2.812 2.118 -10.927 705 HA LEU 95 HA LEU 95 -5.140 0.307 -11.421 706 HB2 LEU 95 HB2 LEU 95 -3.432 0.213 -8.977 707 HB3 LEU 95 HB3 LEU 95 -4.442 -1.034 -9.612 708 HG LEU 95 HG LEU 95 -1.775 -0.192 -10.845 709 HD11 LEU 95 HD11 LEU 95 -2.317 -2.458 -8.887 710 HD12 LEU 95 HD12 LEU 95 -0.756 -1.944 -9.580 711 HD13 LEU 95 HD13 LEU 95 -1.581 -0.898 -8.446 712 HD21 LEU 95 HD21 LEU 95 -1.895 -2.498 -11.777 713 HD22 LEU 95 HD22 LEU 95 -3.510 -2.695 -11.065 714 HD23 LEU 95 HD23 LEU 95 -3.230 -1.483 -12.333 715 H LEU 96 H LEU 96 -6.702 0.157 -9.658 716 HA LEU 96 HA LEU 96 -6.751 2.460 -7.757 717 HB2 LEU 96 HB2 LEU 96 -9.144 1.280 -9.205 718 HB3 LEU 96 HB3 LEU 96 -9.248 2.202 -7.721 719 HG LEU 96 HG LEU 96 -8.111 4.149 -8.885 720 HD11 LEU 96 HD11 LEU 96 -8.651 2.395 -11.307 721 HD12 LEU 96 HD12 LEU 96 -8.530 4.149 -11.423 722 HD13 LEU 96 HD13 LEU 96 -7.140 3.222 -10.874 723 HD21 LEU 96 HD21 LEU 96 -10.526 4.043 -8.428 724 HD22 LEU 96 HD22 LEU 96 -10.214 4.849 -9.970 725 HD23 LEU 96 HD23 LEU 96 -10.788 3.170 -9.955 726 H ILE 97 H ILE 97 -7.092 2.049 -5.690 727 HA ILE 97 HA ILE 97 -7.475 -0.793 -4.810 728 HB ILE 97 HB ILE 97 -5.726 1.225 -3.370 729 HG12 ILE 97 HG12 ILE 97 -3.840 -0.348 -4.449 730 HG13 ILE 97 HG13 ILE 97 -4.987 -0.450 -5.771 731 HG21 ILE 97 HG21 ILE 97 -5.682 -1.818 -3.389 732 HG22 ILE 97 HG22 ILE 97 -4.723 -0.746 -2.361 733 HG23 ILE 97 HG23 ILE 97 -6.473 -0.829 -2.138 734 HD11 ILE 97 HD11 ILE 97 -3.356 1.329 -6.135 735 HD12 ILE 97 HD12 ILE 97 -4.934 2.090 -5.915 736 HD13 ILE 97 HD13 ILE 97 -3.759 2.088 -4.584 737 H CYS 98 H CYS 98 -8.920 -1.184 -3.169 738 HA CYS 98 HA CYS 98 -10.351 1.158 -2.012 739 HB2 CYS 98 HB2 CYS 98 -12.035 -0.454 -1.274 740 HB3 CYS 98 HB3 CYS 98 -11.787 -0.465 -3.019 741 HG CYS 98 HG CYS 98 -10.050 -2.574 -2.919 742 H ALA 99 H ALA 99 -9.741 1.989 -0.116 743 HA ALA 99 HA ALA 99 -7.898 0.539 1.631 744 HB1 ALA 99 HB1 ALA 99 -9.254 3.261 1.877 745 HB2 ALA 99 HB2 ALA 99 -7.971 2.644 2.933 746 HB3 ALA 99 HB3 ALA 99 -7.634 2.944 1.213 747 H THR 100 H THR 100 -8.589 -0.927 3.066 748 HA THR 100 HA THR 100 -11.121 -0.449 4.616 749 HB THR 100 HB THR 100 -11.292 -2.945 4.807 750 HG1 THR 100 HG1 THR 100 -9.992 -4.199 3.750 751 HG21 THR 100 HG21 THR 100 -11.399 -1.855 1.962 752 HG22 THR 100 HG22 THR 100 -12.202 -3.321 2.568 753 HG23 THR 100 HG23 THR 100 -12.678 -1.730 3.183 754 H HIS 101 H HIS 101 -7.930 -0.120 5.114 755 HA HIS 101 HA HIS 101 -8.298 -0.565 8.003 756 HB2 HIS 101 HB2 HIS 101 -5.725 -1.080 6.447 757 HB3 HIS 101 HB3 HIS 101 -5.994 -1.318 8.173 758 HD1 HIS 101 HD1 HIS 101 -6.663 -2.962 4.793 759 HD2 HIS 101 HD2 HIS 101 -7.340 -3.561 8.905 760 HE1 HIS 101 HE1 HIS 101 -7.667 -5.313 5.020 761 H VAL 102 H VAL 102 -7.728 1.281 9.123 762 HA VAL 102 HA VAL 102 -6.605 3.586 7.686 763 HB VAL 102 HB VAL 102 -8.426 3.630 9.474 764 HG11 VAL 102 HG11 VAL 102 -7.314 2.201 11.150 765 HG12 VAL 102 HG12 VAL 102 -6.055 3.446 11.375 766 HG13 VAL 102 HG13 VAL 102 -7.739 3.797 11.770 767 HG21 VAL 102 HG21 VAL 102 -7.372 5.649 8.602 768 HG22 VAL 102 HG22 VAL 102 -7.728 5.797 10.329 769 HG23 VAL 102 HG23 VAL 102 -6.064 5.500 9.794 770 H GLY 103 H GLY 103 -4.549 4.741 8.820 771 HA2 GLY 103 HA2 GLY 103 -2.452 2.990 8.052 772 HA3 GLY 103 HA3 GLY 103 -2.273 4.554 8.781 773 H ALA 104 H ALA 104 -3.589 3.887 11.370 774 HA ALA 104 HA ALA 104 -1.391 2.596 12.719 775 HB1 ALA 104 HB1 ALA 104 -4.212 3.243 13.682 776 HB2 ALA 104 HB2 ALA 104 -2.813 2.853 14.705 777 HB3 ALA 104 HB3 ALA 104 -2.807 4.334 13.745 778 H ASP 105 H ASP 105 -4.580 1.408 11.701 779 HA ASP 105 HA ASP 105 -4.354 -1.205 12.947 780 HB2 ASP 105 HB2 ASP 105 -6.474 0.090 12.566 781 HB3 ASP 105 HB3 ASP 105 -6.292 -0.210 10.839 782 H THR 106 H THR 106 -2.819 0.001 10.216 783 HA THR 106 HA THR 106 -3.154 -2.031 8.284 784 HB THR 106 HB THR 106 -0.937 -1.340 7.370 785 HG1 THR 106 HG1 THR 106 -0.799 0.706 9.246 786 HG21 THR 106 HG21 THR 106 -2.887 -0.190 6.621 787 HG22 THR 106 HG22 THR 106 -2.843 0.883 8.020 788 HG23 THR 106 HG23 THR 106 -1.542 0.958 6.810 789 H THR 107 H THR 107 -2.054 -3.825 7.674 790 HA THR 107 HA THR 107 -0.770 -5.497 9.600 791 HB THR 107 HB THR 107 -1.878 -6.294 7.555 792 HG1 THR 107 HG1 THR 107 -0.254 -7.584 8.665 793 HG21 THR 107 HG21 THR 107 -0.843 -4.612 5.939 794 HG22 THR 107 HG22 THR 107 0.652 -5.561 6.033 795 HG23 THR 107 HG23 THR 107 -0.836 -6.299 5.405 796 H LEU 108 H LEU 108 0.685 -3.169 7.275 797 HA LEU 108 HA LEU 108 3.381 -3.757 7.740 798 HB2 LEU 108 HB2 LEU 108 2.260 -2.159 6.051 799 HB3 LEU 108 HB3 LEU 108 2.205 -0.974 7.344 800 HG LEU 108 HG LEU 108 4.754 -1.206 7.515 801 HD11 LEU 108 HD11 LEU 108 4.293 -2.758 4.921 802 HD12 LEU 108 HD12 LEU 108 5.872 -2.116 5.462 803 HD13 LEU 108 HD13 LEU 108 5.058 -3.382 6.394 804 HD21 LEU 108 HD21 LEU 108 3.624 -0.346 4.821 805 HD22 LEU 108 HD22 LEU 108 3.619 0.631 6.306 806 HD23 LEU 108 HD23 LEU 108 5.163 0.177 5.546 807 H SER 109 H SER 109 1.319 -1.444 9.561 808 HA SER 109 HA SER 109 3.358 -0.797 11.501 809 HB2 SER 109 HB2 SER 109 1.379 0.637 10.906 810 HB3 SER 109 HB3 SER 109 0.348 -0.511 11.778 811 HG SER 109 HG SER 109 2.315 1.273 12.768 812 H GLN 110 H GLN 110 1.127 -3.519 11.255 813 HA GLN 110 HA GLN 110 1.220 -4.295 14.067 814 HB2 GLN 110 HB2 GLN 110 -0.659 -4.834 12.481 815 HB3 GLN 110 HB3 GLN 110 0.420 -5.849 11.577 816 HG2 GLN 110 HG2 GLN 110 -0.788 -7.330 12.883 817 HG3 GLN 110 HG3 GLN 110 0.792 -7.257 13.663 818 HE21 GLN 110 HE22 GLN 110 -2.347 -5.439 13.725 819 HE22 GLN 110 HE21 GLN 110 -2.364 -5.318 15.476 820 H ILE 111 H ILE 111 2.873 -5.255 11.025 821 HA ILE 111 HA ILE 111 4.291 -7.478 11.957 822 HB ILE 111 HB ILE 111 4.920 -5.425 9.817 823 HG12 ILE 111 HG12 ILE 111 4.222 -8.384 9.559 824 HG13 ILE 111 HG13 ILE 111 2.979 -7.158 9.687 825 HG21 ILE 111 HG21 ILE 111 6.516 -7.958 10.423 826 HG22 ILE 111 HG22 ILE 111 6.671 -6.990 8.945 827 HG23 ILE 111 HG23 ILE 111 7.125 -6.287 10.488 828 HD11 ILE 111 HD11 ILE 111 5.032 -7.375 7.450 829 HD12 ILE 111 HD12 ILE 111 3.291 -7.679 7.362 830 HD13 ILE 111 HD13 ILE 111 3.881 -6.031 7.642 831 H VAL 112 H VAL 112 5.542 -4.041 12.029 832 HA VAL 112 HA VAL 112 7.887 -4.847 13.467 833 HB VAL 112 HB VAL 112 8.296 -2.508 13.869 834 HG11 VAL 112 HG11 VAL 112 7.238 -2.886 11.038 835 HG12 VAL 112 HG12 VAL 112 8.526 -1.791 11.585 836 HG13 VAL 112 HG13 VAL 112 8.779 -3.540 11.636 837 HG21 VAL 112 HG21 VAL 112 5.994 -1.682 14.319 838 HG22 VAL 112 HG22 VAL 112 6.802 -0.743 13.071 839 HG23 VAL 112 HG23 VAL 112 5.571 -1.934 12.606 840 H LYS 113 H LYS 113 4.660 -4.291 14.656 841 HA LYS 113 HA LYS 113 5.500 -3.685 17.429 842 HB2 LYS 113 HB2 LYS 113 2.791 -4.306 16.155 843 HB3 LYS 113 HB3 LYS 113 3.007 -4.037 17.883 844 HG2 LYS 113 HG2 LYS 113 3.676 -1.760 17.578 845 HG3 LYS 113 HG3 LYS 113 3.872 -1.969 15.852 846 HD2 LYS 113 HD2 LYS 113 1.851 -0.836 15.950 847 HD3 LYS 113 HD3 LYS 113 1.332 -2.516 15.767 848 HE2 LYS 113 HE2 LYS 113 1.129 -2.640 18.276 849 HE3 LYS 113 HE3 LYS 113 1.549 -0.926 18.350 850 HZ1 LYS 113 HZ1 LYS 113 -0.481 -0.450 17.050 851 HZ2 LYS 113 HZ2 LYS 113 -0.851 -2.046 16.976 852 HZ3 LYS 113 HZ3 LYS 113 -0.851 -1.280 18.422 853 H LEU 114 H LEU 114 4.741 -6.492 15.466 854 HA LEU 114 HA LEU 114 4.793 -8.401 17.698 855 HB2 LEU 114 HB2 LEU 114 4.487 -8.477 14.689 856 HB3 LEU 114 HB3 LEU 114 5.005 -9.937 15.525 857 HG LEU 114 HG LEU 114 2.463 -8.378 16.065 858 HD11 LEU 114 HD11 LEU 114 1.319 -10.262 14.956 859 HD12 LEU 114 HD12 LEU 114 2.458 -9.474 13.855 860 HD13 LEU 114 HD13 LEU 114 2.889 -11.023 14.611 861 HD21 LEU 114 HD21 LEU 114 1.809 -10.515 17.293 862 HD22 LEU 114 HD22 LEU 114 3.498 -11.056 17.125 863 HD23 LEU 114 HD23 LEU 114 3.102 -9.617 18.084 864 H VAL 115 H VAL 115 6.926 -7.524 14.936 865 HA VAL 115 HA VAL 115 8.939 -9.404 15.656 866 HB VAL 115 HB VAL 115 8.967 -7.045 13.753 867 HG11 VAL 115 HG11 VAL 115 11.048 -9.257 14.067 868 HG12 VAL 115 HG12 VAL 115 10.954 -8.119 12.704 869 HG13 VAL 115 HG13 VAL 115 11.312 -7.517 14.320 870 HG21 VAL 115 HG21 VAL 115 7.437 -8.980 13.197 871 HG22 VAL 115 HG22 VAL 115 8.757 -8.801 12.040 872 HG23 VAL 115 HG23 VAL 115 8.829 -10.065 13.287 873 H GLU 116 H GLU 116 8.493 -6.045 16.784 874 HA GLU 116 HA GLU 116 11.218 -5.777 17.727 875 HB2 GLU 116 HB2 GLU 116 9.469 -3.904 17.397 876 HB3 GLU 116 HB3 GLU 116 8.779 -4.417 18.936 877 HG2 GLU 116 HG2 GLU 116 10.887 -3.943 20.081 878 HG3 GLU 116 HG3 GLU 116 11.721 -3.722 18.537 879 H GLU 117 H GLU 117 8.400 -7.577 18.958 880 HA GLU 117 HA GLU 117 9.593 -7.899 21.625 881 HB2 GLU 117 HB2 GLU 117 6.910 -8.871 20.595 882 HB3 GLU 117 HB3 GLU 117 7.548 -8.980 22.242 883 HG2 GLU 117 HG2 GLU 117 7.764 -6.333 22.001 884 HG3 GLU 117 HG3 GLU 117 6.554 -6.555 20.738 885 H ALA 118 H ALA 118 9.736 -9.259 18.537 886 HA ALA 118 HA ALA 118 9.766 -12.080 19.294 887 HB1 ALA 118 HB1 ALA 118 10.238 -12.466 16.947 888 HB2 ALA 118 HB2 ALA 118 8.937 -11.268 17.078 889 HB3 ALA 118 HB3 ALA 118 10.596 -10.758 16.678 890 H GLN 119 H GLN 119 12.096 -9.511 19.116 891 HA GLN 119 HA GLN 119 14.564 -10.862 18.769 892 HB2 GLN 119 HB2 GLN 119 13.738 -8.284 20.135 893 HB3 GLN 119 HB3 GLN 119 15.412 -8.706 19.801 894 HG2 GLN 119 HG2 GLN 119 13.307 -7.548 18.072 895 HG3 GLN 119 HG3 GLN 119 15.049 -7.283 18.058 896 HE21 GLN 119 HE22 GLN 119 12.428 -8.877 16.599 897 HE22 GLN 119 HE21 GLN 119 13.208 -10.374 16.342 Start of MODEL 21 1 H SER 1 H SER 1 18.382 -5.595 13.092 2 HA SER 1 HA SER 1 16.514 -3.957 14.619 3 HB2 SER 1 HB2 SER 1 18.633 -3.017 15.577 4 HB3 SER 1 HB3 SER 1 18.449 -4.770 15.738 5 HG SER 1 HG SER 1 20.381 -3.368 14.492 6 H GLU 2 H GLU 2 18.624 -3.385 11.769 7 HA GLU 2 HA GLU 2 17.905 -0.522 11.618 8 HB2 GLU 2 HB2 GLU 2 19.204 -2.494 9.707 9 HB3 GLU 2 HB3 GLU 2 18.773 -0.867 9.203 10 HG2 GLU 2 HG2 GLU 2 20.550 -1.326 11.626 11 HG3 GLU 2 HG3 GLU 2 21.193 -1.307 9.986 12 H ALA 3 H ALA 3 16.626 -3.574 10.360 13 HA ALA 3 HA ALA 3 14.715 -2.412 8.540 14 HB1 ALA 3 HB1 ALA 3 14.688 -5.140 9.888 15 HB2 ALA 3 HB2 ALA 3 13.750 -4.653 8.467 16 HB3 ALA 3 HB3 ALA 3 15.518 -4.746 8.364 17 H LEU 4 H LEU 4 14.527 -3.394 11.939 18 HA LEU 4 HA LEU 4 11.898 -2.853 12.643 19 HB2 LEU 4 HB2 LEU 4 13.754 -3.636 14.157 20 HB3 LEU 4 HB3 LEU 4 14.402 -2.008 14.146 21 HG LEU 4 HG LEU 4 12.220 -1.211 15.203 22 HD11 LEU 4 HD11 LEU 4 11.969 -4.180 15.798 23 HD12 LEU 4 HD12 LEU 4 10.903 -2.883 16.376 24 HD13 LEU 4 HD13 LEU 4 10.937 -3.305 14.651 25 HD21 LEU 4 HD21 LEU 4 13.982 -3.186 16.721 26 HD22 LEU 4 HD22 LEU 4 14.310 -1.458 16.477 27 HD23 LEU 4 HD23 LEU 4 12.920 -1.960 17.452 28 H ALA 5 H ALA 5 14.421 -0.378 11.974 29 HA ALA 5 HA ALA 5 12.582 1.837 12.580 30 HB1 ALA 5 HB1 ALA 5 15.412 1.767 11.450 31 HB2 ALA 5 HB2 ALA 5 14.498 3.236 11.846 32 HB3 ALA 5 HB3 ALA 5 14.945 2.100 13.132 33 H LYS 6 H LYS 6 13.851 0.103 9.716 34 HA LYS 6 HA LYS 6 12.766 1.928 7.790 35 HB2 LYS 6 HB2 LYS 6 14.550 0.346 7.224 36 HB3 LYS 6 HB3 LYS 6 13.415 -1.012 7.360 37 HG2 LYS 6 HG2 LYS 6 12.120 -0.259 5.503 38 HG3 LYS 6 HG3 LYS 6 12.872 1.344 5.521 39 HD2 LYS 6 HD2 LYS 6 14.987 0.384 4.703 40 HD3 LYS 6 HD3 LYS 6 14.251 -1.240 4.669 41 HE2 LYS 6 HE2 LYS 6 12.541 -0.473 3.074 42 HE3 LYS 6 HE3 LYS 6 13.097 1.195 3.234 43 HZ1 LYS 6 HZ1 LYS 6 13.905 0.310 1.228 44 HZ2 LYS 6 HZ2 LYS 6 15.196 0.536 2.194 45 HZ3 LYS 6 HZ3 LYS 6 14.651 -0.984 1.931 46 H LEU 7 H LEU 7 11.182 -0.807 9.445 47 HA LEU 7 HA LEU 7 8.774 -0.780 7.907 48 HB2 LEU 7 HB2 LEU 7 9.501 -1.561 10.725 49 HB3 LEU 7 HB3 LEU 7 7.804 -1.384 10.324 50 HG LEU 7 HG LEU 7 8.353 -3.673 10.188 51 HD11 LEU 7 HD11 LEU 7 6.809 -2.711 8.464 52 HD12 LEU 7 HD12 LEU 7 8.148 -2.765 7.295 53 HD13 LEU 7 HD13 LEU 7 7.553 -4.260 8.028 54 HD21 LEU 7 HD21 LEU 7 10.726 -3.661 9.792 55 HD22 LEU 7 HD22 LEU 7 9.937 -4.616 8.534 56 HD23 LEU 7 HD23 LEU 7 10.504 -2.971 8.164 57 H ILE 8 H ILE 8 9.761 1.430 10.532 58 HA ILE 8 HA ILE 8 7.319 2.982 10.377 59 HB ILE 8 HB ILE 8 10.013 3.808 11.462 60 HG12 ILE 8 HG12 ILE 8 9.099 1.842 12.618 61 HG13 ILE 8 HG13 ILE 8 9.145 3.263 13.650 62 HG21 ILE 8 HG21 ILE 8 7.258 5.091 11.695 63 HG22 ILE 8 HG22 ILE 8 8.647 5.500 12.727 64 HG23 ILE 8 HG23 ILE 8 8.726 5.790 10.988 65 HD11 ILE 8 HD11 ILE 8 7.112 1.964 14.032 66 HD12 ILE 8 HD12 ILE 8 6.679 3.540 13.359 67 HD13 ILE 8 HD13 ILE 8 6.654 2.086 12.327 68 H SER 9 H SER 9 10.482 3.247 8.674 69 HA SER 9 HA SER 9 9.851 5.748 7.365 70 HB2 SER 9 HB2 SER 9 11.867 3.587 6.659 71 HB3 SER 9 HB3 SER 9 11.807 5.200 5.944 72 HG SER 9 HG SER 9 13.225 4.645 7.898 73 H LEU 10 H LEU 10 8.981 2.434 6.621 74 HA LEU 10 HA LEU 10 8.344 2.834 3.817 75 HB2 LEU 10 HB2 LEU 10 7.865 0.715 5.931 76 HB3 LEU 10 HB3 LEU 10 7.023 0.611 4.393 77 HG LEU 10 HG LEU 10 10.048 0.875 4.475 78 HD11 LEU 10 HD11 LEU 10 8.369 -1.672 4.516 79 HD12 LEU 10 HD12 LEU 10 10.117 -1.592 4.208 80 HD13 LEU 10 HD13 LEU 10 9.483 -1.115 5.788 81 HD21 LEU 10 HD21 LEU 10 8.899 1.274 2.293 82 HD22 LEU 10 HD22 LEU 10 9.865 -0.208 2.265 83 HD23 LEU 10 HD23 LEU 10 8.104 -0.310 2.441 84 H GLN 11 H GLN 11 6.780 3.976 6.619 85 HA GLN 11 HA GLN 11 4.082 3.588 5.566 86 HB2 GLN 11 HB2 GLN 11 5.137 4.582 8.190 87 HB3 GLN 11 HB3 GLN 11 3.420 4.682 7.776 88 HG2 GLN 11 HG2 GLN 11 3.369 2.282 7.189 89 HG3 GLN 11 HG3 GLN 11 5.065 2.134 7.657 90 HE21 GLN 11 HE22 GLN 11 5.506 1.681 9.765 91 HE22 GLN 11 HE21 GLN 11 4.274 1.872 11.039 92 H ALA 12 H ALA 12 2.722 4.936 4.704 93 HA ALA 12 HA ALA 12 3.830 7.077 3.208 94 HB1 ALA 12 HB1 ALA 12 1.560 7.171 2.221 95 HB2 ALA 12 HB2 ALA 12 2.161 5.515 2.344 96 HB3 ALA 12 HB3 ALA 12 0.956 6.110 3.513 97 H THR 13 H THR 13 3.083 9.163 2.926 98 HA THR 13 HA THR 13 1.958 10.570 5.333 99 HB THR 13 HB THR 13 3.312 12.517 4.424 100 HG1 THR 13 HG1 THR 13 3.932 11.865 2.392 101 HG21 THR 13 HG21 THR 13 4.888 10.055 5.278 102 HG22 THR 13 HG22 THR 13 5.374 11.755 5.465 103 HG23 THR 13 HG23 THR 13 3.988 11.120 6.378 104 H GLU 14 H GLU 14 1.622 10.256 1.807 105 HA GLU 14 HA GLU 14 -0.841 11.831 2.005 106 HB2 GLU 14 HB2 GLU 14 -0.380 13.186 0.122 107 HB3 GLU 14 HB3 GLU 14 0.829 13.469 1.355 108 HG2 GLU 14 HG2 GLU 14 1.151 11.872 -1.211 109 HG3 GLU 14 HG3 GLU 14 1.737 13.504 -0.933 110 H ALA 15 H ALA 15 -2.373 11.474 0.342 111 HA ALA 15 HA ALA 15 -1.930 9.174 -1.485 112 HB1 ALA 15 HB1 ALA 15 -4.199 9.309 0.553 113 HB2 ALA 15 HB2 ALA 15 -3.980 8.056 -0.689 114 HB3 ALA 15 HB3 ALA 15 -2.799 8.214 0.623 115 H THR 16 H THR 16 -3.672 8.906 -3.062 116 HA THR 16 HA THR 16 -5.020 11.488 -3.779 117 HB THR 16 HB THR 16 -4.385 9.409 -5.861 118 HG1 THR 16 HG1 THR 16 -2.457 9.585 -5.069 119 HG21 THR 16 HG21 THR 16 -4.435 12.459 -5.857 120 HG22 THR 16 HG22 THR 16 -4.179 11.409 -7.270 121 HG23 THR 16 HG23 THR 16 -5.744 11.406 -6.439 122 H ILE 17 H ILE 17 -7.149 11.329 -3.132 123 HA ILE 17 HA ILE 17 -8.594 8.741 -3.363 124 HB ILE 17 HB ILE 17 -9.554 11.416 -2.271 125 HG12 ILE 17 HG12 ILE 17 -8.693 8.911 -0.756 126 HG13 ILE 17 HG13 ILE 17 -7.741 10.388 -0.889 127 HG21 ILE 17 HG21 ILE 17 -10.836 8.640 -2.155 128 HG22 ILE 17 HG22 ILE 17 -11.471 10.102 -1.367 129 HG23 ILE 17 HG23 ILE 17 -11.432 10.018 -3.101 130 HD11 ILE 17 HD11 ILE 17 -10.415 10.089 0.539 131 HD12 ILE 17 HD12 ILE 17 -8.835 10.353 1.260 132 HD13 ILE 17 HD13 ILE 17 -9.579 11.634 0.276 133 H VAL 18 H VAL 18 -9.971 8.215 -5.014 134 HA VAL 18 HA VAL 18 -10.727 10.320 -6.989 135 HB VAL 18 HB VAL 18 -11.189 7.329 -7.100 136 HG11 VAL 18 HG11 VAL 18 -11.474 9.498 -9.227 137 HG12 VAL 18 HG12 VAL 18 -11.669 7.752 -9.487 138 HG13 VAL 18 HG13 VAL 18 -12.807 8.614 -8.452 139 HG21 VAL 18 HG21 VAL 18 -8.801 7.709 -7.215 140 HG22 VAL 18 HG22 VAL 18 -9.409 7.312 -8.826 141 HG23 VAL 18 HG23 VAL 18 -9.022 8.997 -8.417 142 H THR 19 H THR 19 -12.474 11.453 -6.439 143 HA THR 19 HA THR 19 -14.626 10.254 -4.738 144 HB THR 19 HB THR 19 -13.996 13.188 -5.233 145 HG1 THR 19 HG1 THR 19 -12.322 12.212 -4.133 146 HG21 THR 19 HG21 THR 19 -15.708 11.791 -3.130 147 HG22 THR 19 HG22 THR 19 -15.284 13.515 -3.118 148 HG23 THR 19 HG23 THR 19 -16.287 12.877 -4.421 149 H LEU 20 H LEU 20 -16.888 10.586 -5.373 150 HA LEU 20 HA LEU 20 -17.201 11.143 -8.272 151 HB2 LEU 20 HB2 LEU 20 -19.084 9.723 -6.372 152 HB3 LEU 20 HB3 LEU 20 -19.287 9.923 -8.100 153 HG LEU 20 HG LEU 20 -16.842 8.474 -6.985 154 HD11 LEU 20 HD11 LEU 20 -19.495 7.228 -7.753 155 HD12 LEU 20 HD12 LEU 20 -17.975 6.357 -7.459 156 HD13 LEU 20 HD13 LEU 20 -18.749 7.256 -6.151 157 HD21 LEU 20 HD21 LEU 20 -18.226 8.398 -9.699 158 HD22 LEU 20 HD22 LEU 20 -16.706 9.238 -9.330 159 HD23 LEU 20 HD23 LEU 20 -16.783 7.476 -9.225 160 H ASP 21 H ASP 21 -17.558 13.185 -8.645 161 HA ASP 21 HA ASP 21 -18.937 14.919 -6.669 162 HB2 ASP 21 HB2 ASP 21 -16.903 15.325 -8.785 163 HB3 ASP 21 HB3 ASP 21 -18.074 16.623 -8.631 164 H SER 22 H SER 22 -19.981 13.090 -9.058 165 HA SER 22 HA SER 22 -22.600 14.222 -8.934 166 HB2 SER 22 HB2 SER 22 -21.378 14.184 -11.707 167 HB3 SER 22 HB3 SER 22 -23.107 14.304 -11.363 168 HG SER 22 HG SER 22 -21.439 16.080 -10.014 169 H ASP 23 H ASP 23 -23.910 12.647 -8.913 170 HA ASP 23 HA ASP 23 -24.339 10.554 -8.058 171 HB2 ASP 23 HB2 ASP 23 -25.700 11.036 -10.142 172 HB3 ASP 23 HB3 ASP 23 -24.672 9.885 -10.996 173 H ASN 24 H ASN 24 -23.527 8.111 -10.138 174 HA ASN 24 HA ASN 24 -20.724 7.930 -9.317 175 HB2 ASN 24 HB2 ASN 24 -22.626 6.108 -9.356 176 HB3 ASN 24 HB3 ASN 24 -22.267 5.973 -11.072 177 HD21 ASN 24 HD22 ASN 24 -19.483 5.922 -11.070 178 HD22 ASN 24 HD21 ASN 24 -19.037 4.523 -10.086 179 H ILE 25 H ILE 25 -21.951 9.836 -11.535 180 HA ILE 25 HA ILE 25 -20.682 9.003 -13.971 181 HB ILE 25 HB ILE 25 -22.027 11.030 -14.745 182 HG12 ILE 25 HG12 ILE 25 -23.219 11.069 -12.030 183 HG13 ILE 25 HG13 ILE 25 -22.157 12.291 -12.739 184 HG21 ILE 25 HG21 ILE 25 -22.714 8.605 -14.866 185 HG22 ILE 25 HG22 ILE 25 -23.512 8.785 -13.291 186 HG23 ILE 25 HG23 ILE 25 -24.094 9.691 -14.704 187 HD11 ILE 25 HD11 ILE 25 -24.446 13.037 -12.912 188 HD12 ILE 25 HD12 ILE 25 -23.844 12.670 -14.540 189 HD13 ILE 25 HD13 ILE 25 -24.942 11.539 -13.707 190 H LEU 26 H LEU 26 -19.946 11.568 -11.611 191 HA LEU 26 HA LEU 26 -17.859 12.555 -13.539 192 HB2 LEU 26 HB2 LEU 26 -19.654 14.110 -13.012 193 HB3 LEU 26 HB3 LEU 26 -19.094 14.182 -11.336 194 HG LEU 26 HG LEU 26 -17.014 14.597 -13.467 195 HD11 LEU 26 HD11 LEU 26 -19.169 16.649 -12.881 196 HD12 LEU 26 HD12 LEU 26 -17.677 16.934 -13.821 197 HD13 LEU 26 HD13 LEU 26 -18.888 15.780 -14.413 198 HD21 LEU 26 HD21 LEU 26 -17.648 16.165 -10.949 199 HD22 LEU 26 HD22 LEU 26 -16.470 14.829 -11.052 200 HD23 LEU 26 HD23 LEU 26 -16.204 16.319 -11.968 201 H LEU 27 H LEU 27 -16.037 11.736 -13.141 202 HA LEU 27 HA LEU 27 -15.128 10.935 -10.405 203 HB2 LEU 27 HB2 LEU 27 -14.051 10.420 -13.203 204 HB3 LEU 27 HB3 LEU 27 -13.104 10.108 -11.755 205 HG LEU 27 HG LEU 27 -14.787 8.505 -10.937 206 HD11 LEU 27 HD11 LEU 27 -16.144 8.957 -13.632 207 HD12 LEU 27 HD12 LEU 27 -16.461 7.575 -12.556 208 HD13 LEU 27 HD13 LEU 27 -16.860 9.203 -12.020 209 HD21 LEU 27 HD21 LEU 27 -12.837 7.778 -12.260 210 HD22 LEU 27 HD22 LEU 27 -14.235 6.739 -12.563 211 HD23 LEU 27 HD23 LEU 27 -13.773 7.968 -13.760 212 H SER 28 H SER 28 -14.068 12.357 -9.176 213 HA SER 28 HA SER 28 -12.150 14.283 -10.433 214 HB2 SER 28 HB2 SER 28 -14.358 15.393 -9.957 215 HB3 SER 28 HB3 SER 28 -14.143 14.955 -8.253 216 HG SER 28 HG SER 28 -13.316 16.938 -8.384 217 H GLU 29 H GLU 29 -10.181 14.180 -9.472 218 HA GLU 29 HA GLU 29 -10.000 12.537 -7.056 219 HB2 GLU 29 HB2 GLU 29 -7.673 13.243 -8.818 220 HB3 GLU 29 HB3 GLU 29 -7.893 11.909 -7.697 221 HG2 GLU 29 HG2 GLU 29 -8.123 10.870 -9.751 222 HG3 GLU 29 HG3 GLU 29 -9.784 11.077 -9.206 223 H GLU 30 H GLU 30 -8.758 12.973 -5.284 224 HA GLU 30 HA GLU 30 -8.222 15.866 -4.684 225 HB2 GLU 30 HB2 GLU 30 -9.332 13.742 -2.818 226 HB3 GLU 30 HB3 GLU 30 -9.192 15.462 -2.505 227 HG2 GLU 30 HG2 GLU 30 -11.082 14.103 -4.488 228 HG3 GLU 30 HG3 GLU 30 -11.510 14.794 -2.934 229 H GLN 31 H GLN 31 -6.385 16.360 -3.392 230 HA GLN 31 HA GLN 31 -4.483 14.096 -2.971 231 HB2 GLN 31 HB2 GLN 31 -4.010 17.090 -3.290 232 HB3 GLN 31 HB3 GLN 31 -2.773 15.901 -2.873 233 HG2 GLN 31 HG2 GLN 31 -3.335 14.678 -5.012 234 HG3 GLN 31 HG3 GLN 31 -4.274 16.112 -5.510 235 HE21 GLN 31 HE22 GLN 31 -1.251 14.637 -5.043 236 HE22 GLN 31 HE21 GLN 31 -0.533 16.014 -4.451 237 H VAL 32 H VAL 32 -4.438 13.375 -0.924 238 HA VAL 32 HA VAL 32 -5.090 15.263 1.308 239 HB VAL 32 HB VAL 32 -6.307 13.552 2.412 240 HG11 VAL 32 HG11 VAL 32 -7.336 13.653 -0.442 241 HG12 VAL 32 HG12 VAL 32 -8.263 13.418 1.053 242 HG13 VAL 32 HG13 VAL 32 -7.484 14.975 0.739 243 HG21 VAL 32 HG21 VAL 32 -5.086 11.529 1.639 244 HG22 VAL 32 HG22 VAL 32 -6.829 11.381 1.464 245 HG23 VAL 32 HG23 VAL 32 -5.833 11.714 0.032 246 H ASP 33 H ASP 33 -4.413 14.576 3.425 247 HA ASP 33 HA ASP 33 -1.750 13.281 3.537 248 HB2 ASP 33 HB2 ASP 33 -3.375 14.622 5.719 249 HB3 ASP 33 HB3 ASP 33 -1.748 13.962 5.902 250 H VAL 34 H VAL 34 -1.258 11.636 5.157 251 HA VAL 34 HA VAL 34 -2.811 9.359 4.659 252 HB VAL 34 HB VAL 34 -0.401 9.391 5.082 253 HG11 VAL 34 HG11 VAL 34 -0.337 10.831 7.092 254 HG12 VAL 34 HG12 VAL 34 -1.111 9.546 8.045 255 HG13 VAL 34 HG13 VAL 34 0.496 9.300 7.352 256 HG21 VAL 34 HG21 VAL 34 -0.233 7.221 6.113 257 HG22 VAL 34 HG22 VAL 34 -1.821 7.390 6.878 258 HG23 VAL 34 HG23 VAL 34 -1.690 7.263 5.111 259 H GLU 35 H GLU 35 -3.126 11.409 7.587 260 HA GLU 35 HA GLU 35 -4.900 9.468 8.862 261 HB2 GLU 35 HB2 GLU 35 -3.538 11.242 10.033 262 HB3 GLU 35 HB3 GLU 35 -4.722 12.429 9.458 263 HG2 GLU 35 HG2 GLU 35 -6.507 11.224 10.694 264 HG3 GLU 35 HG3 GLU 35 -5.353 9.972 11.167 265 H LEU 36 H LEU 36 -5.390 11.705 6.238 266 HA LEU 36 HA LEU 36 -8.254 12.082 6.768 267 HB2 LEU 36 HB2 LEU 36 -6.495 13.127 4.540 268 HB3 LEU 36 HB3 LEU 36 -8.084 13.727 5.003 269 HG LEU 36 HG LEU 36 -5.522 13.919 6.661 270 HD11 LEU 36 HD11 LEU 36 -7.132 16.070 5.253 271 HD12 LEU 36 HD12 LEU 36 -5.669 16.310 6.230 272 HD13 LEU 36 HD13 LEU 36 -5.587 15.414 4.707 273 HD21 LEU 36 HD21 LEU 36 -7.426 13.743 8.178 274 HD22 LEU 36 HD22 LEU 36 -6.858 15.415 8.132 275 HD23 LEU 36 HD23 LEU 36 -8.324 14.953 7.234 276 H VAL 37 H VAL 37 -6.453 9.776 5.138 277 HA VAL 37 HA VAL 37 -8.646 9.007 3.278 278 HB VAL 37 HB VAL 37 -6.539 8.920 2.208 279 HG11 VAL 37 HG11 VAL 37 -5.513 7.158 4.469 280 HG12 VAL 37 HG12 VAL 37 -4.668 7.475 2.939 281 HG13 VAL 37 HG13 VAL 37 -4.975 8.803 4.058 282 HG21 VAL 37 HG21 VAL 37 -8.108 7.066 1.728 283 HG22 VAL 37 HG22 VAL 37 -6.408 6.609 1.497 284 HG23 VAL 37 HG23 VAL 37 -7.279 6.056 2.933 285 H GLN 38 H GLN 38 -9.882 7.221 3.625 286 HA GLN 38 HA GLN 38 -9.650 5.812 6.247 287 HB2 GLN 38 HB2 GLN 38 -11.992 7.364 5.128 288 HB3 GLN 38 HB3 GLN 38 -12.120 6.256 6.499 289 HG2 GLN 38 HG2 GLN 38 -10.536 7.621 7.791 290 HG3 GLN 38 HG3 GLN 38 -10.318 8.729 6.426 291 HE21 GLN 38 HE22 GLN 38 -12.442 9.709 5.630 292 HE22 GLN 38 HE21 GLN 38 -13.738 9.775 6.815 293 H ARG 39 H ARG 39 -11.346 4.073 6.470 294 HA ARG 39 HA ARG 39 -10.558 2.183 4.473 295 HB2 ARG 39 HB2 ARG 39 -11.138 0.570 5.946 296 HB3 ARG 39 HB3 ARG 39 -10.927 1.918 7.047 297 HG2 ARG 39 HG2 ARG 39 -13.474 2.237 6.847 298 HG3 ARG 39 HG3 ARG 39 -13.504 0.659 6.043 299 HD2 ARG 39 HD2 ARG 39 -12.205 -0.264 8.010 300 HD3 ARG 39 HD3 ARG 39 -12.533 1.264 8.839 301 HE ARG 39 HE ARG 39 -15.028 0.686 8.251 302 HH11 ARG 39 HH11 ARG 39 -12.712 -1.782 9.323 303 HH12 ARG 39 HH12 ARG 39 -13.978 -3.015 9.242 304 HH21 ARG 39 HH21 ARG 39 -16.543 -0.999 8.523 305 HH22 ARG 39 HH22 ARG 39 -15.926 -2.604 8.894 306 H GLY 40 H GLY 40 -12.929 4.226 3.829 307 HA2 GLY 40 HA2 GLY 40 -14.388 2.286 2.075 308 HA3 GLY 40 HA3 GLY 40 -15.119 3.740 2.746 309 H ASP 41 H ASP 41 -11.883 4.426 1.884 310 HA ASP 41 HA ASP 41 -12.802 5.922 -0.481 311 HB2 ASP 41 HB2 ASP 41 -10.143 5.924 0.982 312 HB3 ASP 41 HB3 ASP 41 -10.582 7.000 -0.340 313 H ILE 42 H ILE 42 -11.813 5.934 -2.503 314 HA ILE 42 HA ILE 42 -10.364 3.451 -3.321 315 HB ILE 42 HB ILE 42 -12.087 5.266 -5.001 316 HG12 ILE 42 HG12 ILE 42 -13.553 4.084 -3.487 317 HG13 ILE 42 HG13 ILE 42 -13.681 3.433 -5.108 318 HG21 ILE 42 HG21 ILE 42 -10.342 4.232 -6.329 319 HG22 ILE 42 HG22 ILE 42 -10.672 2.636 -5.627 320 HG23 ILE 42 HG23 ILE 42 -11.870 3.424 -6.678 321 HD11 ILE 42 HD11 ILE 42 -13.790 1.638 -3.496 322 HD12 ILE 42 HD12 ILE 42 -12.294 1.477 -4.431 323 HD13 ILE 42 HD13 ILE 42 -12.257 2.128 -2.769 324 H ILE 43 H ILE 43 -8.222 3.804 -3.744 325 HA ILE 43 HA ILE 43 -7.280 6.508 -4.425 326 HB ILE 43 HB ILE 43 -5.843 4.055 -3.343 327 HG12 ILE 43 HG12 ILE 43 -7.410 4.684 -1.653 328 HG13 ILE 43 HG13 ILE 43 -5.803 5.164 -1.148 329 HG21 ILE 43 HG21 ILE 43 -4.896 6.936 -3.559 330 HG22 ILE 43 HG22 ILE 43 -4.055 5.651 -2.670 331 HG23 ILE 43 HG23 ILE 43 -4.252 5.526 -4.415 332 HD11 ILE 43 HD11 ILE 43 -7.437 6.880 -0.576 333 HD12 ILE 43 HD12 ILE 43 -6.321 7.534 -1.787 334 HD13 ILE 43 HD13 ILE 43 -7.960 7.007 -2.249 335 H LYS 44 H LYS 44 -6.598 6.938 -6.502 336 HA LYS 44 HA LYS 44 -5.779 4.780 -8.319 337 HB2 LYS 44 HB2 LYS 44 -6.899 6.854 -9.102 338 HB3 LYS 44 HB3 LYS 44 -5.390 7.732 -8.759 339 HG2 LYS 44 HG2 LYS 44 -4.166 6.114 -10.248 340 HG3 LYS 44 HG3 LYS 44 -5.690 5.294 -10.604 341 HD2 LYS 44 HD2 LYS 44 -5.132 8.209 -11.202 342 HD3 LYS 44 HD3 LYS 44 -4.818 6.874 -12.331 343 HE2 LYS 44 HE2 LYS 44 -7.222 6.252 -12.270 344 HE3 LYS 44 HE3 LYS 44 -7.543 7.624 -11.197 345 HZ1 LYS 44 HZ1 LYS 44 -8.025 8.229 -13.448 346 HZ2 LYS 44 HZ2 LYS 44 -6.713 9.084 -12.981 347 HZ3 LYS 44 HZ3 LYS 44 -6.524 7.810 -13.991 348 H VAL 45 H VAL 45 -3.826 3.883 -8.551 349 HA VAL 45 HA VAL 45 -1.428 5.303 -7.515 350 HB VAL 45 HB VAL 45 -2.076 3.363 -6.176 351 HG11 VAL 45 HG11 VAL 45 -1.505 1.662 -8.632 352 HG12 VAL 45 HG12 VAL 45 -1.832 1.094 -6.990 353 HG13 VAL 45 HG13 VAL 45 -3.099 1.944 -7.892 354 HG21 VAL 45 HG21 VAL 45 0.329 3.991 -6.371 355 HG22 VAL 45 HG22 VAL 45 0.089 2.257 -6.092 356 HG23 VAL 45 HG23 VAL 45 0.508 2.842 -7.714 357 H VAL 46 H VAL 46 0.250 5.633 -8.828 358 HA VAL 46 HA VAL 46 -0.131 5.115 -11.690 359 HB VAL 46 HB VAL 46 1.675 6.716 -12.018 360 HG11 VAL 46 HG11 VAL 46 -0.176 7.737 -9.840 361 HG12 VAL 46 HG12 VAL 46 0.652 8.677 -11.095 362 HG13 VAL 46 HG13 VAL 46 -0.622 7.537 -11.552 363 HG21 VAL 46 HG21 VAL 46 2.071 6.712 -9.011 364 HG22 VAL 46 HG22 VAL 46 3.226 6.166 -10.238 365 HG23 VAL 46 HG23 VAL 46 2.770 7.870 -10.152 366 HA PRO 47 HA PRO 47 3.137 2.025 -12.269 367 HB2 PRO 47 HB2 PRO 47 4.516 2.948 -14.480 368 HB3 PRO 47 HB3 PRO 47 2.951 2.092 -14.569 369 HG2 PRO 47 HG2 PRO 47 3.443 5.085 -14.605 370 HG3 PRO 47 HG3 PRO 47 2.399 4.119 -15.693 371 HD2 PRO 47 HD2 PRO 47 1.334 5.448 -13.615 372 HD3 PRO 47 HD3 PRO 47 0.777 3.807 -13.995 373 H GLY 48 H GLY 48 5.061 1.871 -11.235 374 HA2 GLY 48 HA2 GLY 48 7.108 2.469 -10.317 375 HA3 GLY 48 HA3 GLY 48 6.952 4.096 -10.961 376 H GLY 49 H GLY 49 4.062 3.871 -9.496 377 HA2 GLY 49 HA2 GLY 49 4.798 5.389 -7.159 378 HA3 GLY 49 HA3 GLY 49 3.196 4.827 -7.600 379 H LYS 50 H LYS 50 3.670 4.853 -5.034 380 HA LYS 50 HA LYS 50 4.164 2.008 -4.196 381 HB2 LYS 50 HB2 LYS 50 4.252 4.499 -2.456 382 HB3 LYS 50 HB3 LYS 50 4.566 2.829 -1.960 383 HG2 LYS 50 HG2 LYS 50 6.507 2.811 -3.597 384 HG3 LYS 50 HG3 LYS 50 6.267 4.557 -3.779 385 HD2 LYS 50 HD2 LYS 50 6.565 4.826 -1.293 386 HD3 LYS 50 HD3 LYS 50 6.823 3.083 -1.169 387 HE2 LYS 50 HE2 LYS 50 9.014 3.544 -1.361 388 HE3 LYS 50 HE3 LYS 50 8.673 3.679 -3.086 389 HZ1 LYS 50 HZ1 LYS 50 9.904 5.552 -2.283 390 HZ2 LYS 50 HZ2 LYS 50 8.426 6.090 -2.760 391 HZ3 LYS 50 HZ3 LYS 50 8.804 5.933 -1.149 392 H PHE 51 H PHE 51 2.786 1.037 -2.736 393 HA PHE 51 HA PHE 51 -0.014 1.986 -2.724 394 HB2 PHE 51 HB2 PHE 51 1.206 -0.511 -1.524 395 HB3 PHE 51 HB3 PHE 51 -0.512 -0.134 -1.598 396 HD1 PHE 51 HD1 PHE 51 -1.723 -0.163 -3.806 397 HD2 PHE 51 HD2 PHE 51 2.416 -1.273 -3.482 398 HE1 PHE 51 HE1 PHE 51 -1.776 -1.142 -6.097 399 HE2 PHE 51 HE2 PHE 51 2.380 -2.152 -5.781 400 HZ PHE 51 HZ PHE 51 0.267 -2.098 -7.106 401 HA PRO 52 HA PRO 52 0.985 3.798 1.295 402 HB2 PRO 52 HB2 PRO 52 -1.030 5.567 1.554 403 HB3 PRO 52 HB3 PRO 52 0.165 5.689 0.227 404 HG2 PRO 52 HG2 PRO 52 -2.622 4.492 0.115 405 HG3 PRO 52 HG3 PRO 52 -1.865 5.650 -1.020 406 HD2 PRO 52 HD2 PRO 52 -1.925 2.903 -1.419 407 HD3 PRO 52 HD3 PRO 52 -0.648 3.980 -2.061 408 H VAL 53 H VAL 53 -1.666 1.659 0.959 409 HA VAL 53 HA VAL 53 -2.015 1.136 3.754 410 HB VAL 53 HB VAL 53 -4.690 1.406 3.269 411 HG11 VAL 53 HG11 VAL 53 -2.898 3.470 4.596 412 HG12 VAL 53 HG12 VAL 53 -4.648 3.281 4.840 413 HG13 VAL 53 HG13 VAL 53 -3.555 1.992 5.340 414 HG21 VAL 53 HG21 VAL 53 -4.331 2.784 1.206 415 HG22 VAL 53 HG22 VAL 53 -5.234 3.612 2.492 416 HG23 VAL 53 HG23 VAL 53 -3.533 4.014 2.231 417 H ASP 54 H ASP 54 -3.656 -0.755 3.974 418 HA ASP 54 HA ASP 54 -3.153 -2.537 1.673 419 HB2 ASP 54 HB2 ASP 54 -3.615 -4.381 3.094 420 HB3 ASP 54 HB3 ASP 54 -2.440 -3.314 3.837 421 H GLY 55 H GLY 55 -4.660 -3.984 0.834 422 HA2 GLY 55 HA2 GLY 55 -7.365 -4.199 1.243 423 HA3 GLY 55 HA3 GLY 55 -7.248 -2.728 0.283 424 H ARG 56 H ARG 56 -7.769 -3.151 -1.684 425 HA ARG 56 HA ARG 56 -6.599 -5.440 -3.158 426 HB2 ARG 56 HB2 ARG 56 -9.608 -4.984 -3.140 427 HB3 ARG 56 HB3 ARG 56 -8.760 -5.974 -4.324 428 HG2 ARG 56 HG2 ARG 56 -7.872 -7.383 -2.466 429 HG3 ARG 56 HG3 ARG 56 -8.912 -6.499 -1.344 430 HD2 ARG 56 HD2 ARG 56 -9.777 -8.205 -3.720 431 HD3 ARG 56 HD3 ARG 56 -9.935 -8.641 -2.025 432 HE ARG 56 HE ARG 56 -11.778 -7.091 -3.589 433 HH11 ARG 56 HH11 ARG 56 -10.674 -7.415 -0.253 434 HH12 ARG 56 HH12 ARG 56 -12.010 -6.492 0.364 435 HH21 ARG 56 HH21 ARG 56 -13.580 -6.159 -2.715 436 HH22 ARG 56 HH22 ARG 56 -13.708 -5.987 -0.988 437 H VAL 57 H VAL 57 -6.385 -5.310 -5.271 438 HA VAL 57 HA VAL 57 -6.571 -2.686 -6.673 439 HB VAL 57 HB VAL 57 -5.542 -5.450 -7.497 440 HG11 VAL 57 HG11 VAL 57 -4.652 -4.298 -9.539 441 HG12 VAL 57 HG12 VAL 57 -6.407 -4.356 -9.504 442 HG13 VAL 57 HG13 VAL 57 -5.570 -2.845 -9.087 443 HG21 VAL 57 HG21 VAL 57 -3.907 -2.918 -7.222 444 HG22 VAL 57 HG22 VAL 57 -4.081 -4.101 -5.908 445 HG23 VAL 57 HG23 VAL 57 -3.337 -4.569 -7.444 446 H ILE 58 H ILE 58 -8.502 -2.254 -7.687 447 HA ILE 58 HA ILE 58 -10.039 -4.537 -8.860 448 HB ILE 58 HB ILE 58 -12.175 -3.411 -8.021 449 HG12 ILE 58 HG12 ILE 58 -10.339 -2.328 -5.862 450 HG13 ILE 58 HG13 ILE 58 -10.845 -1.319 -7.236 451 HG21 ILE 58 HG21 ILE 58 -11.348 -5.579 -7.185 452 HG22 ILE 58 HG22 ILE 58 -10.387 -4.738 -5.947 453 HG23 ILE 58 HG23 ILE 58 -12.149 -4.640 -5.924 454 HD11 ILE 58 HD11 ILE 58 -12.688 -2.528 -5.139 455 HD12 ILE 58 HD12 ILE 58 -12.347 -0.814 -5.453 456 HD13 ILE 58 HD13 ILE 58 -13.253 -1.755 -6.641 457 H GLU 59 H GLU 59 -8.285 -2.511 -9.963 458 HA GLU 59 HA GLU 59 -9.739 -2.342 -12.398 459 HB2 GLU 59 HB2 GLU 59 -10.356 -0.136 -11.005 460 HB3 GLU 59 HB3 GLU 59 -8.712 0.343 -11.418 461 HG2 GLU 59 HG2 GLU 59 -10.199 1.250 -13.043 462 HG3 GLU 59 HG3 GLU 59 -9.260 -0.016 -13.834 463 H GLY 60 H GLY 60 -8.172 -2.816 -13.923 464 HA2 GLY 60 HA2 GLY 60 -6.129 -2.653 -15.048 465 HA3 GLY 60 HA3 GLY 60 -5.482 -1.654 -13.760 466 H HIS 61 H HIS 61 -3.708 -3.105 -14.528 467 HA HIS 61 HA HIS 61 -3.271 -5.331 -12.646 468 HB2 HIS 61 HB2 HIS 61 -2.605 -6.912 -14.426 469 HB3 HIS 61 HB3 HIS 61 -4.317 -6.524 -14.445 470 HD1 HIS 61 HD1 HIS 61 -1.121 -5.815 -16.486 471 HD2 HIS 61 HD2 HIS 61 -5.315 -5.575 -16.678 472 HE1 HIS 61 HE1 HIS 61 -1.697 -5.200 -18.902 473 H SER 62 H SER 62 -1.156 -5.679 -12.172 474 HA SER 62 HA SER 62 1.024 -4.551 -13.688 475 HB2 SER 62 HB2 SER 62 0.103 -3.070 -11.250 476 HB3 SER 62 HB3 SER 62 1.825 -3.134 -11.553 477 HG SER 62 HG SER 62 -0.074 -2.465 -13.549 478 H MET 63 H MET 63 3.200 -4.679 -12.357 479 HA MET 63 HA MET 63 3.149 -7.178 -10.726 480 HB2 MET 63 HB2 MET 63 4.150 -7.543 -12.927 481 HB3 MET 63 HB3 MET 63 5.354 -6.284 -12.609 482 HG2 MET 63 HG2 MET 63 6.366 -7.521 -10.900 483 HG3 MET 63 HG3 MET 63 4.987 -8.600 -10.683 484 HE1 MET 63 HE1 MET 63 5.292 -11.257 -13.411 485 HE2 MET 63 HE2 MET 63 4.541 -10.746 -11.884 486 HE3 MET 63 HE3 MET 63 4.200 -9.859 -13.390 487 H VAL 64 H VAL 64 3.813 -7.021 -8.740 488 HA VAL 64 HA VAL 64 4.834 -4.398 -7.786 489 HB VAL 64 HB VAL 64 2.962 -6.398 -6.494 490 HG11 VAL 64 HG11 VAL 64 4.075 -3.785 -5.390 491 HG12 VAL 64 HG12 VAL 64 2.648 -4.607 -4.750 492 HG13 VAL 64 HG13 VAL 64 4.219 -5.408 -4.682 493 HG21 VAL 64 HG21 VAL 64 1.893 -5.071 -8.254 494 HG22 VAL 64 HG22 VAL 64 1.362 -4.473 -6.674 495 HG23 VAL 64 HG23 VAL 64 2.582 -3.581 -7.600 496 H ASP 65 H ASP 65 6.404 -4.192 -6.306 497 HA ASP 65 HA ASP 65 8.095 -6.562 -5.705 498 HB2 ASP 65 HB2 ASP 65 8.994 -4.549 -6.913 499 HB3 ASP 65 HB3 ASP 65 8.654 -3.572 -5.485 500 H GLU 66 H GLU 66 7.395 -7.533 -3.866 501 HA GLU 66 HA GLU 66 6.952 -5.873 -1.433 502 HB2 GLU 66 HB2 GLU 66 5.223 -7.405 -0.668 503 HB3 GLU 66 HB3 GLU 66 4.806 -6.524 -2.124 504 HG2 GLU 66 HG2 GLU 66 5.151 -8.522 -3.505 505 HG3 GLU 66 HG3 GLU 66 5.683 -9.434 -2.087 506 H SER 67 H SER 67 9.389 -7.005 -2.315 507 HA SER 67 HA SER 67 10.158 -9.383 -1.047 508 HB2 SER 67 HB2 SER 67 12.427 -8.765 -1.435 509 HB3 SER 67 HB3 SER 67 11.469 -8.225 -2.806 510 HG SER 67 HG SER 67 11.531 -6.076 -1.884 511 H LEU 68 H LEU 68 9.850 -6.266 0.556 512 HA LEU 68 HA LEU 68 11.315 -7.230 2.941 513 HB2 LEU 68 HB2 LEU 68 11.557 -4.939 1.808 514 HB3 LEU 68 HB3 LEU 68 9.943 -4.558 2.359 515 HG LEU 68 HG LEU 68 11.684 -3.478 3.637 516 HD11 LEU 68 HD11 LEU 68 10.446 -5.452 5.560 517 HD12 LEU 68 HD12 LEU 68 10.908 -3.772 5.826 518 HD13 LEU 68 HD13 LEU 68 9.520 -4.143 4.785 519 HD21 LEU 68 HD21 LEU 68 13.449 -5.183 3.454 520 HD22 LEU 68 HD22 LEU 68 13.205 -4.624 5.119 521 HD23 LEU 68 HD23 LEU 68 12.577 -6.209 4.613 522 H ILE 69 H ILE 69 8.018 -6.568 1.868 523 HA ILE 69 HA ILE 69 6.856 -6.856 4.547 524 HB ILE 69 HB ILE 69 5.286 -7.153 1.973 525 HG12 ILE 69 HG12 ILE 69 6.595 -5.064 1.658 526 HG13 ILE 69 HG13 ILE 69 4.898 -4.733 1.885 527 HG21 ILE 69 HG21 ILE 69 4.616 -6.109 4.769 528 HG22 ILE 69 HG22 ILE 69 3.500 -6.126 3.388 529 HG23 ILE 69 HG23 ILE 69 4.115 -7.642 4.056 530 HD11 ILE 69 HD11 ILE 69 6.324 -3.116 3.068 531 HD12 ILE 69 HD12 ILE 69 5.250 -3.983 4.173 532 HD13 ILE 69 HD13 ILE 69 6.978 -4.418 4.083 533 H THR 70 H THR 70 6.812 -8.851 1.589 534 HA THR 70 HA THR 70 5.795 -11.162 3.082 535 HB THR 70 HB THR 70 6.138 -10.845 0.086 536 HG1 THR 70 HG1 THR 70 4.114 -9.944 0.076 537 HG21 THR 70 HG21 THR 70 4.045 -12.242 1.800 538 HG22 THR 70 HG22 THR 70 4.125 -12.226 0.022 539 HG23 THR 70 HG23 THR 70 5.370 -13.079 0.943 540 H GLY 71 H GLY 71 8.781 -10.219 1.586 541 HA2 GLY 71 HA2 GLY 71 10.862 -11.170 2.111 542 HA3 GLY 71 HA3 GLY 71 10.072 -12.666 2.590 543 H GLU 72 H GLU 72 8.613 -12.496 -0.191 544 HA GLU 72 HA GLU 72 10.337 -14.243 -1.669 545 HB2 GLU 72 HB2 GLU 72 8.060 -12.492 -2.680 546 HB3 GLU 72 HB3 GLU 72 8.786 -13.829 -3.564 547 HG2 GLU 72 HG2 GLU 72 7.306 -14.145 -0.914 548 HG3 GLU 72 HG3 GLU 72 6.552 -14.263 -2.486 549 H ALA 73 H ALA 73 12.225 -13.734 -2.657 550 HA ALA 73 HA ALA 73 12.979 -10.984 -3.233 551 HB1 ALA 73 HB1 ALA 73 15.155 -11.972 -3.726 552 HB2 ALA 73 HB2 ALA 73 14.500 -12.621 -2.212 553 HB3 ALA 73 HB3 ALA 73 14.453 -13.606 -3.692 554 H MET 74 H MET 74 10.775 -11.700 -4.753 555 HA MET 74 HA MET 74 11.650 -11.313 -7.496 556 HB2 MET 74 HB2 MET 74 10.374 -13.262 -8.350 557 HB3 MET 74 HB3 MET 74 11.840 -13.662 -7.475 558 HG2 MET 74 HG2 MET 74 10.489 -14.240 -5.462 559 HG3 MET 74 HG3 MET 74 9.022 -13.828 -6.340 560 HE1 MET 74 HE1 MET 74 12.318 -15.926 -7.250 561 HE2 MET 74 HE2 MET 74 11.788 -16.439 -5.629 562 HE3 MET 74 HE3 MET 74 11.669 -17.559 -7.002 563 HA PRO 75 HA PRO 75 7.919 -8.927 -7.123 564 HB2 PRO 75 HB2 PRO 75 7.944 -9.034 -10.131 565 HB3 PRO 75 HB3 PRO 75 7.673 -7.618 -9.053 566 HG2 PRO 75 HG2 PRO 75 10.080 -7.983 -10.208 567 HG3 PRO 75 HG3 PRO 75 9.994 -7.565 -8.463 568 HD2 PRO 75 HD2 PRO 75 10.389 -10.306 -9.717 569 HD3 PRO 75 HD3 PRO 75 11.256 -9.521 -8.362 570 H VAL 76 H VAL 76 5.678 -8.933 -7.401 571 HA VAL 76 HA VAL 76 4.455 -11.585 -8.087 572 HB VAL 76 HB VAL 76 3.683 -9.670 -5.852 573 HG11 VAL 76 HG11 VAL 76 2.811 -12.531 -6.460 574 HG12 VAL 76 HG12 VAL 76 2.354 -11.587 -5.028 575 HG13 VAL 76 HG13 VAL 76 1.801 -11.075 -6.623 576 HG21 VAL 76 HG21 VAL 76 5.866 -10.666 -5.314 577 HG22 VAL 76 HG22 VAL 76 4.613 -11.402 -4.320 578 HG23 VAL 76 HG23 VAL 76 5.256 -12.286 -5.720 579 H ALA 77 H ALA 77 2.660 -11.646 -9.336 580 HA ALA 77 HA ALA 77 1.908 -9.197 -10.715 581 HB1 ALA 77 HB1 ALA 77 2.258 -11.356 -11.884 582 HB2 ALA 77 HB2 ALA 77 0.852 -12.024 -11.029 583 HB3 ALA 77 HB3 ALA 77 0.643 -10.679 -12.168 584 H LYS 78 H LYS 78 0.084 -8.090 -10.703 585 HA LYS 78 HA LYS 78 -2.199 -8.860 -8.918 586 HB2 LYS 78 HB2 LYS 78 -1.280 -6.040 -9.555 587 HB3 LYS 78 HB3 LYS 78 -2.517 -6.523 -8.401 588 HG2 LYS 78 HG2 LYS 78 0.474 -7.080 -8.133 589 HG3 LYS 78 HG3 LYS 78 -0.400 -5.755 -7.383 590 HD2 LYS 78 HD2 LYS 78 -1.694 -7.305 -5.996 591 HD3 LYS 78 HD3 LYS 78 -0.959 -8.699 -6.815 592 HE2 LYS 78 HE2 LYS 78 1.284 -7.999 -6.021 593 HE3 LYS 78 HE3 LYS 78 0.572 -6.602 -5.200 594 HZ1 LYS 78 HZ1 LYS 78 0.948 -8.448 -3.671 595 HZ2 LYS 78 HZ2 LYS 78 -0.659 -8.126 -3.776 596 HZ3 LYS 78 HZ3 LYS 78 -0.055 -9.431 -4.556 597 H LYS 79 H LYS 79 -4.251 -8.281 -9.572 598 HA LYS 79 HA LYS 79 -4.954 -7.270 -12.241 599 HB2 LYS 79 HB2 LYS 79 -4.962 -10.166 -11.406 600 HB3 LYS 79 HB3 LYS 79 -6.467 -9.608 -12.103 601 HG2 LYS 79 HG2 LYS 79 -5.370 -8.901 -14.154 602 HG3 LYS 79 HG3 LYS 79 -3.774 -9.168 -13.452 603 HD2 LYS 79 HD2 LYS 79 -4.326 -10.956 -14.992 604 HD3 LYS 79 HD3 LYS 79 -4.153 -11.574 -13.342 605 HE2 LYS 79 HE2 LYS 79 -6.652 -11.547 -13.117 606 HE3 LYS 79 HE3 LYS 79 -6.780 -11.036 -14.808 607 HZ1 LYS 79 HZ1 LYS 79 -6.999 -13.472 -14.520 608 HZ2 LYS 79 HZ2 LYS 79 -5.697 -13.121 -15.448 609 HZ3 LYS 79 HZ3 LYS 79 -5.506 -13.568 -13.880 610 HA PRO 80 HA PRO 80 -8.569 -5.994 -9.873 611 HB2 PRO 80 HB2 PRO 80 -10.816 -6.989 -11.151 612 HB3 PRO 80 HB3 PRO 80 -9.896 -5.544 -11.675 613 HG2 PRO 80 HG2 PRO 80 -9.608 -8.395 -12.667 614 HG3 PRO 80 HG3 PRO 80 -9.781 -6.898 -13.644 615 HD2 PRO 80 HD2 PRO 80 -7.355 -7.954 -13.226 616 HD3 PRO 80 HD3 PRO 80 -7.577 -6.191 -13.087 617 H GLY 81 H GLY 81 -9.450 -6.742 -8.028 618 HA2 GLY 81 HA2 GLY 81 -10.149 -8.173 -6.353 619 HA3 GLY 81 HA3 GLY 81 -10.273 -9.505 -7.511 620 H SER 82 H SER 82 -7.274 -7.615 -7.065 621 HA SER 82 HA SER 82 -5.956 -10.039 -5.836 622 HB2 SER 82 HB2 SER 82 -4.763 -7.756 -7.447 623 HB3 SER 82 HB3 SER 82 -3.798 -8.833 -6.443 624 HG SER 82 HG SER 82 -5.531 -9.914 -8.402 625 H THR 83 H THR 83 -4.612 -9.694 -3.867 626 HA THR 83 HA THR 83 -5.453 -7.254 -2.434 627 HB THR 83 HB THR 83 -4.609 -8.227 -0.440 628 HG1 THR 83 HG1 THR 83 -3.005 -9.478 -0.752 629 HG21 THR 83 HG21 THR 83 -6.891 -8.824 -1.087 630 HG22 THR 83 HG22 THR 83 -6.286 -10.255 -1.951 631 HG23 THR 83 HG23 THR 83 -6.105 -10.112 -0.187 632 H VAL 84 H VAL 84 -4.083 -5.849 -1.401 633 HA VAL 84 HA VAL 84 -1.165 -5.974 -1.982 634 HB VAL 84 HB VAL 84 -1.169 -3.504 -2.423 635 HG11 VAL 84 HG11 VAL 84 -0.881 -5.127 -4.224 636 HG12 VAL 84 HG12 VAL 84 -2.639 -5.213 -4.462 637 HG13 VAL 84 HG13 VAL 84 -1.761 -3.702 -4.784 638 HG21 VAL 84 HG21 VAL 84 -4.160 -3.851 -2.917 639 HG22 VAL 84 HG22 VAL 84 -3.437 -2.943 -1.567 640 HG23 VAL 84 HG23 VAL 84 -3.180 -2.408 -3.233 641 H ILE 85 H ILE 85 0.138 -4.658 -0.680 642 HA ILE 85 HA ILE 85 -0.954 -3.776 1.925 643 HB ILE 85 HB ILE 85 1.503 -4.716 2.690 644 HG12 ILE 85 HG12 ILE 85 1.653 -7.106 2.110 645 HG13 ILE 85 HG13 ILE 85 0.404 -6.918 0.889 646 HG21 ILE 85 HG21 ILE 85 -1.133 -6.205 2.870 647 HG22 ILE 85 HG22 ILE 85 0.287 -6.408 3.923 648 HG23 ILE 85 HG23 ILE 85 -0.583 -4.878 3.926 649 HD11 ILE 85 HD11 ILE 85 1.890 -5.371 -0.374 650 HD12 ILE 85 HD12 ILE 85 3.110 -5.512 0.893 651 HD13 ILE 85 HD13 ILE 85 2.679 -6.931 -0.081 652 H ALA 86 H ALA 86 0.246 -2.236 3.036 653 HA ALA 86 HA ALA 86 1.120 -0.159 1.333 654 HB1 ALA 86 HB1 ALA 86 -0.047 0.131 3.508 655 HB2 ALA 86 HB2 ALA 86 1.419 -0.414 4.354 656 HB3 ALA 86 HB3 ALA 86 1.440 1.088 3.405 657 H GLY 87 H GLY 87 3.071 0.854 1.017 658 HA2 GLY 87 HA2 GLY 87 5.380 1.240 1.082 659 HA3 GLY 87 HA3 GLY 87 5.577 -0.071 2.244 660 H SER 88 H SER 88 3.848 -1.446 -0.245 661 HA SER 88 HA SER 88 6.254 -2.541 -1.576 662 HB2 SER 88 HB2 SER 88 4.777 -4.067 -2.711 663 HB3 SER 88 HB3 SER 88 4.576 -4.154 -0.963 664 HG SER 88 HG SER 88 2.606 -3.059 -1.156 665 H ILE 89 H ILE 89 6.458 -2.510 -3.915 666 HA ILE 89 HA ILE 89 5.698 0.204 -4.924 667 HB ILE 89 HB ILE 89 8.072 -1.273 -5.972 668 HG12 ILE 89 HG12 ILE 89 8.469 -1.499 -3.576 669 HG13 ILE 89 HG13 ILE 89 9.599 -0.424 -4.359 670 HG21 ILE 89 HG21 ILE 89 7.363 0.826 -7.033 671 HG22 ILE 89 HG22 ILE 89 7.449 1.676 -5.485 672 HG23 ILE 89 HG23 ILE 89 8.927 1.038 -6.236 673 HD11 ILE 89 HD11 ILE 89 7.231 0.573 -2.725 674 HD12 ILE 89 HD12 ILE 89 8.884 0.367 -2.117 675 HD13 ILE 89 HD13 ILE 89 8.566 1.537 -3.403 676 H ASN 90 H ASN 90 4.749 0.523 -6.848 677 HA ASN 90 HA ASN 90 3.779 -1.823 -8.343 678 HB2 ASN 90 HB2 ASN 90 2.248 0.026 -7.500 679 HB3 ASN 90 HB3 ASN 90 3.056 1.129 -8.612 680 HD21 ASN 90 HD22 ASN 90 1.579 1.468 -10.262 681 HD22 ASN 90 HD21 ASN 90 0.758 0.162 -11.100 682 H GLN 91 H GLN 91 3.975 -2.144 -10.608 683 HA GLN 91 HA GLN 91 5.221 -0.141 -12.276 684 HB2 GLN 91 HB2 GLN 91 7.155 -1.450 -11.184 685 HB3 GLN 91 HB3 GLN 91 6.589 -2.873 -12.050 686 HG2 GLN 91 HG2 GLN 91 8.495 -1.671 -13.148 687 HG3 GLN 91 HG3 GLN 91 7.079 -1.807 -14.194 688 HE21 GLN 91 HE22 GLN 91 8.710 0.505 -11.906 689 HE22 GLN 91 HE21 GLN 91 8.090 1.915 -12.776 690 H ASN 92 H ASN 92 4.593 -0.309 -14.415 691 HA ASN 92 HA ASN 92 4.330 -1.522 -16.398 692 HB2 ASN 92 HB2 ASN 92 4.031 -3.750 -15.359 693 HB3 ASN 92 HB3 ASN 92 2.357 -3.323 -14.987 694 HD21 ASN 92 HD22 ASN 92 0.831 -3.054 -16.852 695 HD22 ASN 92 HD21 ASN 92 1.199 -4.195 -18.126 696 H GLY 93 H GLY 93 1.585 -0.627 -14.177 697 HA2 GLY 93 HA2 GLY 93 0.999 1.628 -15.888 698 HA3 GLY 93 HA3 GLY 93 -0.165 0.343 -16.148 699 H SER 94 H SER 94 -1.311 2.496 -15.421 700 HA SER 94 HA SER 94 -1.444 2.968 -12.565 701 HB2 SER 94 HB2 SER 94 -3.198 4.045 -14.800 702 HB3 SER 94 HB3 SER 94 -3.210 4.594 -13.115 703 HG SER 94 HG SER 94 -1.067 4.737 -14.981 704 H LEU 95 H LEU 95 -2.846 2.276 -11.083 705 HA LEU 95 HA LEU 95 -5.164 0.539 -11.863 706 HB2 LEU 95 HB2 LEU 95 -3.678 0.235 -9.287 707 HB3 LEU 95 HB3 LEU 95 -4.620 -0.948 -10.128 708 HG LEU 95 HG LEU 95 -1.819 -0.027 -10.933 709 HD11 LEU 95 HD11 LEU 95 -2.747 -2.521 -9.443 710 HD12 LEU 95 HD12 LEU 95 -1.079 -2.097 -9.886 711 HD13 LEU 95 HD13 LEU 95 -1.927 -1.124 -8.706 712 HD21 LEU 95 HD21 LEU 95 -3.494 -2.430 -11.758 713 HD22 LEU 95 HD22 LEU 95 -3.208 -1.004 -12.785 714 HD23 LEU 95 HD23 LEU 95 -1.849 -2.033 -12.322 715 H LEU 96 H LEU 96 -6.831 0.342 -10.103 716 HA LEU 96 HA LEU 96 -6.821 2.623 -8.174 717 HB2 LEU 96 HB2 LEU 96 -9.285 1.616 -9.626 718 HB3 LEU 96 HB3 LEU 96 -9.299 2.550 -8.147 719 HG LEU 96 HG LEU 96 -7.877 4.317 -9.390 720 HD11 LEU 96 HD11 LEU 96 -8.291 4.469 -11.799 721 HD12 LEU 96 HD12 LEU 96 -7.376 3.013 -11.466 722 HD13 LEU 96 HD13 LEU 96 -9.118 2.906 -11.794 723 HD21 LEU 96 HD21 LEU 96 -10.203 4.680 -8.720 724 HD22 LEU 96 HD22 LEU 96 -9.918 5.358 -10.330 725 HD23 LEU 96 HD23 LEU 96 -10.777 3.815 -10.160 726 H ILE 97 H ILE 97 -7.000 2.206 -6.180 727 HA ILE 97 HA ILE 97 -7.243 -0.615 -5.286 728 HB ILE 97 HB ILE 97 -5.791 1.670 -3.910 729 HG12 ILE 97 HG12 ILE 97 -4.716 1.578 -6.046 730 HG13 ILE 97 HG13 ILE 97 -3.666 0.924 -4.810 731 HG21 ILE 97 HG21 ILE 97 -5.534 -1.353 -3.659 732 HG22 ILE 97 HG22 ILE 97 -4.528 -0.157 -2.812 733 HG23 ILE 97 HG23 ILE 97 -6.258 -0.249 -2.477 734 HD11 ILE 97 HD11 ILE 97 -5.327 -0.786 -6.710 735 HD12 ILE 97 HD12 ILE 97 -3.634 -0.372 -6.935 736 HD13 ILE 97 HD13 ILE 97 -4.119 -1.353 -5.534 737 H CYS 98 H CYS 98 -8.885 -1.111 -3.838 738 HA CYS 98 HA CYS 98 -10.267 1.149 -2.468 739 HB2 CYS 98 HB2 CYS 98 -11.807 -0.511 -1.593 740 HB3 CYS 98 HB3 CYS 98 -11.764 -0.500 -3.358 741 HG CYS 98 HG CYS 98 -10.023 -2.491 -1.407 742 H ALA 99 H ALA 99 -9.380 1.945 -0.694 743 HA ALA 99 HA ALA 99 -7.451 0.398 0.906 744 HB1 ALA 99 HB1 ALA 99 -8.669 3.180 1.241 745 HB2 ALA 99 HB2 ALA 99 -7.375 2.491 2.239 746 HB3 ALA 99 HB3 ALA 99 -7.091 2.800 0.510 747 H THR 100 H THR 100 -8.228 -1.116 2.219 748 HA THR 100 HA THR 100 -10.996 -0.854 3.361 749 HB THR 100 HB THR 100 -10.240 -2.750 1.801 750 HG1 THR 100 HG1 THR 100 -11.485 -4.238 2.886 751 HG21 THR 100 HG21 THR 100 -8.124 -3.242 3.231 752 HG22 THR 100 HG22 THR 100 -9.251 -4.063 4.333 753 HG23 THR 100 HG23 THR 100 -9.100 -4.608 2.657 754 H HIS 101 H HIS 101 -7.996 -0.149 4.429 755 HA HIS 101 HA HIS 101 -8.920 -0.199 7.212 756 HB2 HIS 101 HB2 HIS 101 -6.313 -1.430 6.242 757 HB3 HIS 101 HB3 HIS 101 -6.619 -0.982 7.911 758 HD1 HIS 101 HD1 HIS 101 -7.095 -3.833 5.611 759 HD2 HIS 101 HD2 HIS 101 -8.804 -2.301 9.139 760 HE1 HIS 101 HE1 HIS 101 -8.509 -5.723 6.600 761 H VAL 102 H VAL 102 -7.896 1.366 8.522 762 HA VAL 102 HA VAL 102 -6.573 3.626 7.147 763 HB VAL 102 HB VAL 102 -6.673 4.725 9.376 764 HG11 VAL 102 HG11 VAL 102 -9.258 3.609 8.226 765 HG12 VAL 102 HG12 VAL 102 -9.158 4.961 9.361 766 HG13 VAL 102 HG13 VAL 102 -8.400 5.101 7.766 767 HG21 VAL 102 HG21 VAL 102 -7.951 3.821 11.185 768 HG22 VAL 102 HG22 VAL 102 -8.370 2.378 10.263 769 HG23 VAL 102 HG23 VAL 102 -6.692 2.632 10.800 770 H GLY 103 H GLY 103 -4.603 4.699 8.444 771 HA2 GLY 103 HA2 GLY 103 -2.437 2.950 7.835 772 HA3 GLY 103 HA3 GLY 103 -2.364 4.529 8.607 773 H ALA 104 H ALA 104 -3.887 3.933 10.989 774 HA ALA 104 HA ALA 104 -1.968 2.751 12.683 775 HB1 ALA 104 HB1 ALA 104 -4.961 3.141 13.110 776 HB2 ALA 104 HB2 ALA 104 -3.750 2.875 14.381 777 HB3 ALA 104 HB3 ALA 104 -3.685 4.350 13.401 778 H ASP 105 H ASP 105 -4.516 1.137 10.859 779 HA ASP 105 HA ASP 105 -4.357 -1.396 12.385 780 HB2 ASP 105 HB2 ASP 105 -6.477 -0.643 11.410 781 HB3 ASP 105 HB3 ASP 105 -5.753 -0.713 9.807 782 H THR 106 H THR 106 -2.353 0.103 10.006 783 HA THR 106 HA THR 106 -2.130 -2.163 8.222 784 HB THR 106 HB THR 106 -0.216 -1.053 7.172 785 HG1 THR 106 HG1 THR 106 -0.694 0.956 9.100 786 HG21 THR 106 HG21 THR 106 -1.413 0.936 6.319 787 HG22 THR 106 HG22 THR 106 -2.422 -0.523 6.336 788 HG23 THR 106 HG23 THR 106 -2.652 0.712 7.579 789 H THR 107 H THR 107 -0.522 -3.604 7.902 790 HA THR 107 HA THR 107 0.331 -4.806 10.305 791 HB THR 107 HB THR 107 -0.294 -5.912 8.155 792 HG1 THR 107 HG1 THR 107 0.562 -7.044 9.812 793 HG21 THR 107 HG21 THR 107 2.616 -5.509 7.366 794 HG22 THR 107 HG22 THR 107 1.383 -6.442 6.501 795 HG23 THR 107 HG23 THR 107 1.228 -4.685 6.603 796 H LEU 108 H LEU 108 2.080 -2.519 8.360 797 HA LEU 108 HA LEU 108 4.740 -3.183 8.964 798 HB2 LEU 108 HB2 LEU 108 3.354 -0.560 8.335 799 HB3 LEU 108 HB3 LEU 108 5.089 -0.659 8.611 800 HG LEU 108 HG LEU 108 5.381 -2.178 6.707 801 HD11 LEU 108 HD11 LEU 108 2.386 -1.819 6.274 802 HD12 LEU 108 HD12 LEU 108 3.526 -2.427 5.054 803 HD13 LEU 108 HD13 LEU 108 3.278 -3.354 6.519 804 HD21 LEU 108 HD21 LEU 108 4.883 -0.517 4.972 805 HD22 LEU 108 HD22 LEU 108 3.741 0.294 6.069 806 HD23 LEU 108 HD23 LEU 108 5.483 0.263 6.449 807 H SER 109 H SER 109 2.626 -0.941 10.821 808 HA SER 109 HA SER 109 4.610 -0.614 12.942 809 HB2 SER 109 HB2 SER 109 1.712 0.203 12.696 810 HB3 SER 109 HB3 SER 109 2.636 0.386 14.196 811 HG SER 109 HG SER 109 3.393 2.133 13.376 812 H GLN 110 H GLN 110 2.374 -3.103 12.197 813 HA GLN 110 HA GLN 110 2.132 -4.084 14.974 814 HB2 GLN 110 HB2 GLN 110 0.372 -4.351 13.110 815 HB3 GLN 110 HB3 GLN 110 1.407 -5.591 12.456 816 HG2 GLN 110 HG2 GLN 110 -0.081 -6.795 13.740 817 HG3 GLN 110 HG3 GLN 110 1.336 -6.725 14.775 818 HE21 GLN 110 HE22 GLN 110 -1.625 -4.833 14.011 819 HE22 GLN 110 HE21 GLN 110 -1.966 -4.403 15.684 820 H ILE 111 H ILE 111 3.937 -4.929 12.029 821 HA ILE 111 HA ILE 111 5.370 -7.188 12.893 822 HB ILE 111 HB ILE 111 6.090 -4.930 10.987 823 HG12 ILE 111 HG12 ILE 111 5.493 -7.826 10.319 824 HG13 ILE 111 HG13 ILE 111 4.180 -6.683 10.557 825 HG21 ILE 111 HG21 ILE 111 7.651 -7.508 11.459 826 HG22 ILE 111 HG22 ILE 111 7.897 -6.416 10.082 827 HG23 ILE 111 HG23 ILE 111 8.246 -5.849 11.706 828 HD11 ILE 111 HD11 ILE 111 5.050 -5.274 8.722 829 HD12 ILE 111 HD12 ILE 111 6.361 -6.438 8.446 830 HD13 ILE 111 HD13 ILE 111 4.676 -6.919 8.191 831 H VAL 112 H VAL 112 6.379 -3.717 13.295 832 HA VAL 112 HA VAL 112 8.768 -4.341 14.642 833 HB VAL 112 HB VAL 112 8.800 -2.043 15.423 834 HG11 VAL 112 HG11 VAL 112 7.782 -2.234 12.558 835 HG12 VAL 112 HG12 VAL 112 8.815 -0.964 13.238 836 HG13 VAL 112 HG13 VAL 112 9.441 -2.609 13.065 837 HG21 VAL 112 HG21 VAL 112 6.394 -1.704 15.935 838 HG22 VAL 112 HG22 VAL 112 7.071 -0.441 14.899 839 HG23 VAL 112 HG23 VAL 112 6.060 -1.712 14.188 840 H LYS 113 H LYS 113 5.614 -4.658 15.975 841 HA LYS 113 HA LYS 113 6.451 -4.396 18.797 842 HB2 LYS 113 HB2 LYS 113 3.958 -5.725 17.674 843 HB3 LYS 113 HB3 LYS 113 4.287 -5.301 19.355 844 HG2 LYS 113 HG2 LYS 113 4.440 -2.858 18.611 845 HG3 LYS 113 HG3 LYS 113 3.890 -3.393 17.025 846 HD2 LYS 113 HD2 LYS 113 1.922 -2.693 18.008 847 HD3 LYS 113 HD3 LYS 113 1.870 -4.450 18.252 848 HE2 LYS 113 HE2 LYS 113 2.935 -4.052 20.522 849 HE3 LYS 113 HE3 LYS 113 2.761 -2.318 20.245 850 HZ1 LYS 113 HZ1 LYS 113 0.915 -3.232 21.557 851 HZ2 LYS 113 HZ2 LYS 113 0.319 -2.676 20.128 852 HZ3 LYS 113 HZ3 LYS 113 0.538 -4.289 20.368 853 H LEU 114 H LEU 114 6.421 -6.898 16.336 854 HA LEU 114 HA LEU 114 7.002 -9.090 18.221 855 HB2 LEU 114 HB2 LEU 114 6.123 -8.855 15.417 856 HB3 LEU 114 HB3 LEU 114 7.496 -9.944 15.580 857 HG LEU 114 HG LEU 114 4.871 -10.132 17.080 858 HD11 LEU 114 HD11 LEU 114 4.487 -12.094 15.622 859 HD12 LEU 114 HD12 LEU 114 4.661 -10.612 14.673 860 HD13 LEU 114 HD13 LEU 114 6.009 -11.769 14.765 861 HD21 LEU 114 HD21 LEU 114 6.675 -11.196 18.405 862 HD22 LEU 114 HD22 LEU 114 5.668 -12.440 17.671 863 HD23 LEU 114 HD23 LEU 114 7.246 -12.049 16.954 864 H VAL 115 H VAL 115 8.556 -7.322 15.534 865 HA VAL 115 HA VAL 115 11.082 -8.535 15.825 866 HB VAL 115 HB VAL 115 10.433 -5.865 14.550 867 HG11 VAL 115 HG11 VAL 115 12.865 -7.681 14.180 868 HG12 VAL 115 HG12 VAL 115 12.480 -6.262 13.186 869 HG13 VAL 115 HG13 VAL 115 12.889 -6.056 14.883 870 HG21 VAL 115 HG21 VAL 115 9.194 -7.802 13.554 871 HG22 VAL 115 HG22 VAL 115 10.414 -7.166 12.449 872 HG23 VAL 115 HG23 VAL 115 10.729 -8.659 13.352 873 H GLU 116 H GLU 116 9.840 -5.676 17.590 874 HA GLU 116 HA GLU 116 12.334 -4.843 18.682 875 HB2 GLU 116 HB2 GLU 116 10.307 -3.549 18.796 876 HB3 GLU 116 HB3 GLU 116 9.492 -4.756 19.783 877 HG2 GLU 116 HG2 GLU 116 12.041 -3.413 20.748 878 HG3 GLU 116 HG3 GLU 116 10.501 -2.559 20.826 879 H GLU 117 H GLU 117 10.217 -7.638 19.736 880 HA GLU 117 HA GLU 117 11.957 -8.272 21.992 881 HB2 GLU 117 HB2 GLU 117 9.573 -9.594 20.669 882 HB3 GLU 117 HB3 GLU 117 10.368 -10.214 22.111 883 HG2 GLU 117 HG2 GLU 117 9.236 -7.384 22.081 884 HG3 GLU 117 HG3 GLU 117 8.208 -8.784 22.243 885 H ALA 118 H ALA 118 12.174 -8.660 18.681 886 HA ALA 118 HA ALA 118 12.977 -11.506 18.591 887 HB1 ALA 118 HB1 ALA 118 13.288 -11.207 16.232 888 HB2 ALA 118 HB2 ALA 118 11.737 -10.494 16.705 889 HB3 ALA 118 HB3 ALA 118 13.157 -9.452 16.373 890 H GLN 119 H GLN 119 14.598 -8.419 18.916 891 HA GLN 119 HA GLN 119 17.294 -9.521 18.560 892 HB2 GLN 119 HB2 GLN 119 16.236 -6.834 19.514 893 HB3 GLN 119 HB3 GLN 119 17.916 -7.261 19.606 894 HG2 GLN 119 HG2 GLN 119 18.123 -6.293 17.609 895 HG3 GLN 119 HG3 GLN 119 17.533 -7.849 16.984 896 HE21 GLN 119 HE22 GLN 119 15.439 -7.969 16.157 897 HE22 GLN 119 HE21 GLN 119 14.263 -6.768 16.614 Start of MODEL 22 1 H SER 1 H SER 1 19.445 -3.191 15.414 2 HA SER 1 HA SER 1 16.522 -2.956 15.454 3 HB2 SER 1 HB2 SER 1 16.869 -1.408 17.271 4 HB3 SER 1 HB3 SER 1 17.812 -2.884 17.540 5 HG SER 1 HG SER 1 18.775 -0.616 17.784 6 H GLU 2 H GLU 2 19.029 -1.497 13.631 7 HA GLU 2 HA GLU 2 17.447 0.894 12.911 8 HB2 GLU 2 HB2 GLU 2 20.051 0.649 13.001 9 HB3 GLU 2 HB3 GLU 2 19.876 -0.208 11.480 10 HG2 GLU 2 HG2 GLU 2 20.310 1.920 10.755 11 HG3 GLU 2 HG3 GLU 2 18.552 1.971 10.732 12 H ALA 3 H ALA 3 17.653 -2.425 11.917 13 HA ALA 3 HA ALA 3 16.553 -2.036 9.205 14 HB1 ALA 3 HB1 ALA 3 17.010 -4.595 10.786 15 HB2 ALA 3 HB2 ALA 3 16.624 -4.456 9.073 16 HB3 ALA 3 HB3 ALA 3 18.187 -3.871 9.661 17 H LEU 4 H LEU 4 15.516 -2.718 12.497 18 HA LEU 4 HA LEU 4 12.883 -3.632 12.104 19 HB2 LEU 4 HB2 LEU 4 14.038 -3.644 14.254 20 HB3 LEU 4 HB3 LEU 4 14.161 -1.893 14.246 21 HG LEU 4 HG LEU 4 11.747 -1.642 14.546 22 HD11 LEU 4 HD11 LEU 4 10.940 -3.680 13.483 23 HD12 LEU 4 HD12 LEU 4 11.795 -4.672 14.687 24 HD13 LEU 4 HD13 LEU 4 10.417 -3.649 15.182 25 HD21 LEU 4 HD21 LEU 4 13.256 -1.775 16.504 26 HD22 LEU 4 HD22 LEU 4 11.665 -2.461 16.861 27 HD23 LEU 4 HD23 LEU 4 13.047 -3.538 16.551 28 H ALA 5 H ALA 5 14.010 -0.094 12.147 29 HA ALA 5 HA ALA 5 11.351 0.856 11.721 30 HB1 ALA 5 HB1 ALA 5 12.553 2.990 11.501 31 HB2 ALA 5 HB2 ALA 5 13.109 2.100 12.925 32 HB3 ALA 5 HB3 ALA 5 14.108 2.131 11.450 33 H LYS 6 H LYS 6 13.343 -0.861 9.546 34 HA LYS 6 HA LYS 6 13.170 0.900 7.233 35 HB2 LYS 6 HB2 LYS 6 14.889 -0.945 7.661 36 HB3 LYS 6 HB3 LYS 6 13.635 -2.106 7.185 37 HG2 LYS 6 HG2 LYS 6 13.462 -1.024 4.976 38 HG3 LYS 6 HG3 LYS 6 14.608 0.229 5.483 39 HD2 LYS 6 HD2 LYS 6 16.333 -1.591 5.827 40 HD3 LYS 6 HD3 LYS 6 15.191 -2.740 5.090 41 HE2 LYS 6 HE2 LYS 6 15.164 -1.412 3.007 42 HE3 LYS 6 HE3 LYS 6 16.140 -0.159 3.776 43 HZ1 LYS 6 HZ1 LYS 6 17.607 -1.422 2.507 44 HZ2 LYS 6 HZ2 LYS 6 17.905 -1.893 4.044 45 HZ3 LYS 6 HZ3 LYS 6 17.076 -2.882 3.045 46 H LEU 7 H LEU 7 11.324 -1.899 8.386 47 HA LEU 7 HA LEU 7 9.303 -2.226 6.506 48 HB2 LEU 7 HB2 LEU 7 9.362 -2.287 9.549 49 HB3 LEU 7 HB3 LEU 7 7.861 -2.592 8.696 50 HG LEU 7 HG LEU 7 8.996 -4.624 9.440 51 HD11 LEU 7 HD11 LEU 7 8.734 -5.904 7.379 52 HD12 LEU 7 HD12 LEU 7 7.452 -4.702 7.544 53 HD13 LEU 7 HD13 LEU 7 8.795 -4.421 6.407 54 HD21 LEU 7 HD21 LEU 7 11.355 -3.945 9.121 55 HD22 LEU 7 HD22 LEU 7 10.972 -5.502 8.378 56 HD23 LEU 7 HD23 LEU 7 11.135 -4.070 7.354 57 H ILE 8 H ILE 8 9.206 0.122 9.187 58 HA ILE 8 HA ILE 8 6.757 1.394 8.306 59 HB ILE 8 HB ILE 8 8.912 2.198 10.289 60 HG12 ILE 8 HG12 ILE 8 7.665 0.216 10.959 61 HG13 ILE 8 HG13 ILE 8 7.305 1.573 12.007 62 HG21 ILE 8 HG21 ILE 8 6.290 3.633 9.751 63 HG22 ILE 8 HG22 ILE 8 7.256 3.838 11.224 64 HG23 ILE 8 HG23 ILE 8 7.932 4.294 9.663 65 HD11 ILE 8 HD11 ILE 8 5.122 1.906 10.799 66 HD12 ILE 8 HD12 ILE 8 5.482 0.459 9.824 67 HD13 ILE 8 HD13 ILE 8 5.271 0.327 11.573 68 H SER 9 H SER 9 10.091 1.884 7.477 69 HA SER 9 HA SER 9 9.826 4.661 6.584 70 HB2 SER 9 HB2 SER 9 12.084 2.651 6.265 71 HB3 SER 9 HB3 SER 9 12.141 4.358 5.831 72 HG SER 9 HG SER 9 11.836 3.176 8.388 73 H LEU 10 H LEU 10 9.745 1.455 4.991 74 HA LEU 10 HA LEU 10 9.881 2.389 2.309 75 HB2 LEU 10 HB2 LEU 10 8.720 -0.069 3.650 76 HB3 LEU 10 HB3 LEU 10 8.273 0.283 1.996 77 HG LEU 10 HG LEU 10 10.756 0.416 1.411 78 HD11 LEU 10 HD11 LEU 10 10.944 -1.102 4.043 79 HD12 LEU 10 HD12 LEU 10 12.239 -0.949 2.827 80 HD13 LEU 10 HD13 LEU 10 11.682 0.487 3.694 81 HD21 LEU 10 HD21 LEU 10 10.894 -2.027 1.173 82 HD22 LEU 10 HD22 LEU 10 9.549 -2.223 2.330 83 HD23 LEU 10 HD23 LEU 10 9.281 -1.443 0.758 84 H GLN 11 H GLN 11 7.238 2.743 4.541 85 HA GLN 11 HA GLN 11 5.029 2.821 2.719 86 HB2 GLN 11 HB2 GLN 11 5.313 4.064 5.427 87 HB3 GLN 11 HB3 GLN 11 3.809 3.887 4.528 88 HG2 GLN 11 HG2 GLN 11 3.979 1.444 4.602 89 HG3 GLN 11 HG3 GLN 11 5.546 1.536 5.432 90 HE21 GLN 11 HE22 GLN 11 5.543 2.997 7.443 91 HE22 GLN 11 HE21 GLN 11 4.089 2.971 8.416 92 H ALA 12 H ALA 12 4.023 4.405 1.636 93 HA ALA 12 HA ALA 12 5.317 6.994 1.198 94 HB1 ALA 12 HB1 ALA 12 3.511 7.261 -0.472 95 HB2 ALA 12 HB2 ALA 12 4.364 5.719 -0.657 96 HB3 ALA 12 HB3 ALA 12 2.763 5.753 0.096 97 H THR 13 H THR 13 4.201 9.040 1.409 98 HA THR 13 HA THR 13 2.689 9.127 3.978 99 HB THR 13 HB THR 13 3.891 11.663 3.109 100 HG1 THR 13 HG1 THR 13 5.480 10.314 2.248 101 HG21 THR 13 HG21 THR 13 2.991 11.066 5.329 102 HG22 THR 13 HG22 THR 13 4.271 9.851 5.516 103 HG23 THR 13 HG23 THR 13 4.690 11.586 5.423 104 H GLU 14 H GLU 14 1.909 9.517 0.859 105 HA GLU 14 HA GLU 14 -0.389 11.300 1.479 106 HB2 GLU 14 HB2 GLU 14 -0.127 12.579 -0.480 107 HB3 GLU 14 HB3 GLU 14 1.374 12.660 0.423 108 HG2 GLU 14 HG2 GLU 14 0.911 10.876 -2.022 109 HG3 GLU 14 HG3 GLU 14 1.595 12.484 -2.091 110 H ALA 15 H ALA 15 -2.244 11.100 0.020 111 HA ALA 15 HA ALA 15 -2.319 8.639 -1.635 112 HB1 ALA 15 HB1 ALA 15 -2.991 7.945 0.641 113 HB2 ALA 15 HB2 ALA 15 -4.240 9.212 0.661 114 HB3 ALA 15 HB3 ALA 15 -4.359 7.862 -0.487 115 H THR 16 H THR 16 -3.775 8.660 -3.310 116 HA THR 16 HA THR 16 -5.369 11.152 -3.748 117 HB THR 16 HB THR 16 -4.459 9.094 -5.777 118 HG1 THR 16 HG1 THR 16 -3.018 10.709 -6.363 119 HG21 THR 16 HG21 THR 16 -5.073 10.869 -7.416 120 HG22 THR 16 HG22 THR 16 -6.490 10.303 -6.522 121 HG23 THR 16 HG23 THR 16 -5.736 11.854 -6.093 122 H ILE 17 H ILE 17 -7.400 10.973 -3.111 123 HA ILE 17 HA ILE 17 -8.911 8.418 -3.130 124 HB ILE 17 HB ILE 17 -9.820 11.181 -2.213 125 HG12 ILE 17 HG12 ILE 17 -8.535 8.998 -0.529 126 HG13 ILE 17 HG13 ILE 17 -7.873 10.590 -0.869 127 HG21 ILE 17 HG21 ILE 17 -10.906 8.383 -1.624 128 HG22 ILE 17 HG22 ILE 17 -11.555 9.900 -0.961 129 HG23 ILE 17 HG23 ILE 17 -11.671 9.603 -2.668 130 HD11 ILE 17 HD11 ILE 17 -8.741 10.592 1.361 131 HD12 ILE 17 HD12 ILE 17 -9.790 11.624 0.368 132 HD13 ILE 17 HD13 ILE 17 -10.306 9.984 0.848 133 H VAL 18 H VAL 18 -10.733 8.094 -4.486 134 HA VAL 18 HA VAL 18 -11.405 10.355 -6.336 135 HB VAL 18 HB VAL 18 -12.111 8.729 -8.060 136 HG11 VAL 18 HG11 VAL 18 -9.181 8.828 -7.315 137 HG12 VAL 18 HG12 VAL 18 -9.845 8.359 -8.909 138 HG13 VAL 18 HG13 VAL 18 -10.112 9.984 -8.282 139 HG21 VAL 18 HG21 VAL 18 -12.191 6.653 -6.636 140 HG22 VAL 18 HG22 VAL 18 -11.165 6.480 -8.072 141 HG23 VAL 18 HG23 VAL 18 -10.422 6.736 -6.480 142 H THR 19 H THR 19 -13.358 10.960 -6.756 143 HA THR 19 HA THR 19 -15.639 9.572 -5.385 144 HB THR 19 HB THR 19 -16.648 11.944 -5.224 145 HG1 THR 19 HG1 THR 19 -15.288 13.313 -6.133 146 HG21 THR 19 HG21 THR 19 -15.966 10.579 -3.288 147 HG22 THR 19 HG22 THR 19 -14.319 11.253 -3.407 148 HG23 THR 19 HG23 THR 19 -15.718 12.309 -3.050 149 H LEU 20 H LEU 20 -17.589 9.455 -6.272 150 HA LEU 20 HA LEU 20 -17.920 10.230 -9.125 151 HB2 LEU 20 HB2 LEU 20 -19.739 8.650 -7.268 152 HB3 LEU 20 HB3 LEU 20 -20.129 9.111 -8.894 153 HG LEU 20 HG LEU 20 -19.494 6.839 -8.793 154 HD11 LEU 20 HD11 LEU 20 -17.469 8.477 -10.336 155 HD12 LEU 20 HD12 LEU 20 -17.870 6.771 -10.621 156 HD13 LEU 20 HD13 LEU 20 -19.115 8.007 -10.835 157 HD21 LEU 20 HD21 LEU 20 -17.821 6.905 -6.936 158 HD22 LEU 20 HD22 LEU 20 -17.325 5.957 -8.349 159 HD23 LEU 20 HD23 LEU 20 -16.639 7.567 -8.095 160 H ASP 21 H ASP 21 -17.774 12.372 -8.791 161 HA ASP 21 HA ASP 21 -19.623 13.902 -7.093 162 HB2 ASP 21 HB2 ASP 21 -17.459 14.531 -9.082 163 HB3 ASP 21 HB3 ASP 21 -18.488 15.815 -8.488 164 H SER 22 H SER 22 -19.327 12.993 -10.462 165 HA SER 22 HA SER 22 -22.177 13.518 -10.949 166 HB2 SER 22 HB2 SER 22 -20.079 14.389 -12.944 167 HB3 SER 22 HB3 SER 22 -21.821 14.518 -13.118 168 HG SER 22 HG SER 22 -21.891 16.168 -11.837 169 H ASP 23 H ASP 23 -22.907 11.801 -11.564 170 HA ASP 23 HA ASP 23 -22.801 9.392 -11.799 171 HB2 ASP 23 HB2 ASP 23 -23.904 10.957 -14.160 172 HB3 ASP 23 HB3 ASP 23 -24.296 9.277 -13.797 173 H ASN 24 H ASN 24 -20.341 9.239 -12.060 174 HA ASN 24 HA ASN 24 -18.467 8.364 -12.965 175 HB2 ASN 24 HB2 ASN 24 -20.499 6.857 -14.589 176 HB3 ASN 24 HB3 ASN 24 -18.806 6.790 -15.052 177 HD21 ASN 24 HD21 ASN 24 -21.098 5.973 -12.425 178 HD22 ASN 24 HD22 ASN 24 -19.930 4.937 -11.596 179 H ILE 25 H ILE 25 -20.433 10.265 -15.102 180 HA ILE 25 HA ILE 25 -18.732 10.873 -17.179 181 HB ILE 25 HB ILE 25 -20.092 13.122 -17.027 182 HG12 ILE 25 HG12 ILE 25 -21.684 11.637 -14.974 183 HG13 ILE 25 HG13 ILE 25 -20.678 13.067 -14.716 184 HG21 ILE 25 HG21 ILE 25 -20.489 11.140 -18.536 185 HG22 ILE 25 HG22 ILE 25 -21.562 10.474 -17.286 186 HG23 ILE 25 HG23 ILE 25 -21.967 11.998 -18.109 187 HD11 ILE 25 HD11 ILE 25 -23.188 12.893 -16.430 188 HD12 ILE 25 HD12 ILE 25 -23.006 13.717 -14.882 189 HD13 ILE 25 HD13 ILE 25 -22.144 14.329 -16.305 190 H LEU 26 H LEU 26 -18.398 12.069 -13.900 191 HA LEU 26 HA LEU 26 -16.249 13.958 -14.827 192 HB2 LEU 26 HB2 LEU 26 -18.171 14.837 -13.485 193 HB3 LEU 26 HB3 LEU 26 -17.617 13.866 -12.122 194 HG LEU 26 HG LEU 26 -15.303 15.240 -12.770 195 HD11 LEU 26 HD11 LEU 26 -17.639 17.128 -13.277 196 HD12 LEU 26 HD12 LEU 26 -15.924 17.562 -13.218 197 HD13 LEU 26 HD13 LEU 26 -16.520 16.542 -14.542 198 HD21 LEU 26 HD21 LEU 26 -15.913 16.845 -10.978 199 HD22 LEU 26 HD22 LEU 26 -17.555 16.162 -10.969 200 HD23 LEU 26 HD23 LEU 26 -16.134 15.146 -10.570 201 H LEU 27 H LEU 27 -16.900 11.705 -12.277 202 HA LEU 27 HA LEU 27 -15.547 10.654 -10.662 203 HB2 LEU 27 HB2 LEU 27 -15.624 9.081 -12.544 204 HB3 LEU 27 HB3 LEU 27 -14.170 9.803 -13.226 205 HG LEU 27 HG LEU 27 -12.868 9.061 -11.223 206 HD11 LEU 27 HD11 LEU 27 -15.386 7.551 -10.436 207 HD12 LEU 27 HD12 LEU 27 -13.792 7.448 -9.668 208 HD13 LEU 27 HD13 LEU 27 -14.713 8.945 -9.543 209 HD21 LEU 27 HD21 LEU 27 -13.026 7.660 -13.256 210 HD22 LEU 27 HD22 LEU 27 -12.862 6.681 -11.784 211 HD23 LEU 27 HD23 LEU 27 -14.444 6.839 -12.574 212 H SER 28 H SER 28 -14.770 12.486 -9.586 213 HA SER 28 HA SER 28 -12.401 13.915 -10.497 214 HB2 SER 28 HB2 SER 28 -14.422 14.917 -9.293 215 HB3 SER 28 HB3 SER 28 -13.784 14.172 -7.815 216 HG SER 28 HG SER 28 -12.334 15.643 -7.689 217 H GLU 29 H GLU 29 -10.402 14.217 -9.282 218 HA GLU 29 HA GLU 29 -9.701 11.997 -7.434 219 HB2 GLU 29 HB2 GLU 29 -7.960 13.543 -9.381 220 HB3 GLU 29 HB3 GLU 29 -7.406 12.292 -8.250 221 HG2 GLU 29 HG2 GLU 29 -8.319 10.565 -9.487 222 HG3 GLU 29 HG3 GLU 29 -9.478 11.604 -10.316 223 H GLU 30 H GLU 30 -9.041 12.617 -5.460 224 HA GLU 30 HA GLU 30 -8.391 15.484 -4.868 225 HB2 GLU 30 HB2 GLU 30 -9.703 13.617 -2.894 226 HB3 GLU 30 HB3 GLU 30 -9.656 15.369 -2.886 227 HG2 GLU 30 HG2 GLU 30 -11.340 13.566 -4.689 228 HG3 GLU 30 HG3 GLU 30 -11.897 14.477 -3.303 229 H GLN 31 H GLN 31 -6.514 15.833 -3.507 230 HA GLN 31 HA GLN 31 -4.968 13.372 -2.837 231 HB2 GLN 31 HB2 GLN 31 -4.093 16.196 -3.541 232 HB3 GLN 31 HB3 GLN 31 -3.020 14.889 -3.013 233 HG2 GLN 31 HG2 GLN 31 -3.649 13.540 -4.934 234 HG3 GLN 31 HG3 GLN 31 -4.677 14.856 -5.572 235 HE21 GLN 31 HE22 GLN 31 -1.531 13.627 -4.969 236 HE22 GLN 31 HE21 GLN 31 -0.899 15.117 -4.718 237 H VAL 32 H VAL 32 -4.442 12.978 -0.807 238 HA VAL 32 HA VAL 32 -4.679 15.098 1.296 239 HB VAL 32 HB VAL 32 -5.938 13.666 2.722 240 HG11 VAL 32 HG11 VAL 32 -7.331 13.595 0.023 241 HG12 VAL 32 HG12 VAL 32 -8.075 13.570 1.629 242 HG13 VAL 32 HG13 VAL 32 -7.227 15.024 1.079 243 HG21 VAL 32 HG21 VAL 32 -6.820 11.503 2.086 244 HG22 VAL 32 HG22 VAL 32 -5.971 11.561 0.523 245 HG23 VAL 32 HG23 VAL 32 -5.061 11.447 2.047 246 H ASP 33 H ASP 33 -3.913 14.376 3.433 247 HA ASP 33 HA ASP 33 -1.265 13.111 3.337 248 HB2 ASP 33 HB2 ASP 33 -1.568 15.091 4.672 249 HB3 ASP 33 HB3 ASP 33 -2.895 14.359 5.555 250 H VAL 34 H VAL 34 -0.615 11.267 4.491 251 HA VAL 34 HA VAL 34 -2.348 9.055 4.439 252 HB VAL 34 HB VAL 34 0.083 8.986 4.243 253 HG11 VAL 34 HG11 VAL 34 0.143 9.200 7.280 254 HG12 VAL 34 HG12 VAL 34 1.520 8.845 6.223 255 HG13 VAL 34 HG13 VAL 34 0.728 10.428 6.141 256 HG21 VAL 34 HG21 VAL 34 0.433 6.828 5.158 257 HG22 VAL 34 HG22 VAL 34 -0.831 7.045 6.375 258 HG23 VAL 34 HG23 VAL 34 -1.264 6.922 4.657 259 H GLU 35 H GLU 35 -2.137 11.345 7.125 260 HA GLU 35 HA GLU 35 -3.641 9.476 8.883 261 HB2 GLU 35 HB2 GLU 35 -1.983 11.104 9.805 262 HB3 GLU 35 HB3 GLU 35 -3.080 12.422 9.350 263 HG2 GLU 35 HG2 GLU 35 -4.832 11.489 10.812 264 HG3 GLU 35 HG3 GLU 35 -3.829 10.083 11.169 265 H LEU 36 H LEU 36 -4.474 11.750 6.376 266 HA LEU 36 HA LEU 36 -7.172 12.281 7.450 267 HB2 LEU 36 HB2 LEU 36 -5.746 13.311 4.976 268 HB3 LEU 36 HB3 LEU 36 -7.269 13.913 5.626 269 HG LEU 36 HG LEU 36 -4.531 14.128 6.949 270 HD11 LEU 36 HD11 LEU 36 -4.892 15.636 5.001 271 HD12 LEU 36 HD12 LEU 36 -6.368 16.254 5.759 272 HD13 LEU 36 HD13 LEU 36 -4.785 16.528 6.520 273 HD21 LEU 36 HD21 LEU 36 -6.158 13.933 8.706 274 HD22 LEU 36 HD22 LEU 36 -5.641 15.617 8.571 275 HD23 LEU 36 HD23 LEU 36 -7.226 15.122 7.920 276 H VAL 37 H VAL 37 -5.727 10.080 5.242 277 HA VAL 37 HA VAL 37 -8.263 9.512 3.810 278 HB VAL 37 HB VAL 37 -6.289 9.279 2.472 279 HG11 VAL 37 HG11 VAL 37 -5.261 7.191 4.441 280 HG12 VAL 37 HG12 VAL 37 -4.532 7.625 2.884 281 HG13 VAL 37 HG13 VAL 37 -4.581 8.812 4.188 282 HG21 VAL 37 HG21 VAL 37 -7.331 6.500 3.113 283 HG22 VAL 37 HG22 VAL 37 -8.137 7.701 2.074 284 HG23 VAL 37 HG23 VAL 37 -6.552 7.047 1.622 285 H GLN 38 H GLN 38 -9.599 7.773 4.316 286 HA GLN 38 HA GLN 38 -8.937 6.222 6.782 287 HB2 GLN 38 HB2 GLN 38 -11.609 7.422 5.946 288 HB3 GLN 38 HB3 GLN 38 -11.404 6.211 7.211 289 HG2 GLN 38 HG2 GLN 38 -10.037 7.719 8.546 290 HG3 GLN 38 HG3 GLN 38 -10.005 8.916 7.241 291 HE21 GLN 38 HE22 GLN 38 -12.735 7.094 8.790 292 HE22 GLN 38 HE21 GLN 38 -13.652 8.592 8.889 293 H ARG 39 H ARG 39 -10.012 4.162 6.925 294 HA ARG 39 HA ARG 39 -10.002 2.663 4.389 295 HB2 ARG 39 HB2 ARG 39 -10.392 0.693 5.717 296 HB3 ARG 39 HB3 ARG 39 -9.122 1.659 6.481 297 HG2 ARG 39 HG2 ARG 39 -11.020 2.642 7.934 298 HG3 ARG 39 HG3 ARG 39 -12.027 1.333 7.311 299 HD2 ARG 39 HD2 ARG 39 -10.529 -0.318 8.259 300 HD3 ARG 39 HD3 ARG 39 -9.408 0.942 8.806 301 HE ARG 39 HE ARG 39 -11.134 1.791 10.324 302 HH11 ARG 39 HH11 ARG 39 -11.465 -1.581 9.466 303 HH12 ARG 39 HH12 ARG 39 -12.908 -1.764 10.447 304 HH21 ARG 39 HH21 ARG 39 -12.819 1.428 11.689 305 HH22 ARG 39 HH22 ARG 39 -13.488 -0.181 11.831 306 H GLY 40 H GLY 40 -11.893 1.774 3.297 307 HA2 GLY 40 HA2 GLY 40 -14.247 1.487 3.103 308 HA3 GLY 40 HA3 GLY 40 -14.531 2.829 4.205 309 H ASP 41 H ASP 41 -11.973 3.778 2.193 310 HA ASP 41 HA ASP 41 -13.754 4.938 0.094 311 HB2 ASP 41 HB2 ASP 41 -11.208 5.992 1.379 312 HB3 ASP 41 HB3 ASP 41 -11.980 6.707 -0.039 313 H ILE 42 H ILE 42 -12.395 5.542 -1.937 314 HA ILE 42 HA ILE 42 -10.915 3.099 -2.856 315 HB ILE 42 HB ILE 42 -12.680 4.951 -4.467 316 HG12 ILE 42 HG12 ILE 42 -14.077 3.523 -3.104 317 HG13 ILE 42 HG13 ILE 42 -14.139 3.026 -4.780 318 HG21 ILE 42 HG21 ILE 42 -10.877 4.174 -5.877 319 HG22 ILE 42 HG22 ILE 42 -11.047 2.509 -5.292 320 HG23 ILE 42 HG23 ILE 42 -12.320 3.253 -6.289 321 HD11 ILE 42 HD11 ILE 42 -12.675 1.609 -2.532 322 HD12 ILE 42 HD12 ILE 42 -14.120 1.064 -3.395 323 HD13 ILE 42 HD13 ILE 42 -12.573 1.127 -4.246 324 H ILE 43 H ILE 43 -8.785 3.449 -3.224 325 HA ILE 43 HA ILE 43 -7.814 6.180 -3.724 326 HB ILE 43 HB ILE 43 -6.397 3.761 -2.562 327 HG12 ILE 43 HG12 ILE 43 -8.216 4.175 -1.039 328 HG13 ILE 43 HG13 ILE 43 -6.705 4.688 -0.321 329 HG21 ILE 43 HG21 ILE 43 -5.711 6.728 -2.483 330 HG22 ILE 43 HG22 ILE 43 -4.836 5.448 -1.616 331 HG23 ILE 43 HG23 ILE 43 -4.854 5.462 -3.379 332 HD11 ILE 43 HD11 ILE 43 -7.246 7.047 -0.734 333 HD12 ILE 43 HD12 ILE 43 -8.745 6.586 -1.565 334 HD13 ILE 43 HD13 ILE 43 -8.559 6.246 0.154 335 H LYS 44 H LYS 44 -6.739 6.634 -5.531 336 HA LYS 44 HA LYS 44 -5.940 4.598 -7.480 337 HB2 LYS 44 HB2 LYS 44 -5.600 7.633 -7.361 338 HB3 LYS 44 HB3 LYS 44 -5.184 6.653 -8.755 339 HG2 LYS 44 HG2 LYS 44 -7.973 6.844 -7.559 340 HG3 LYS 44 HG3 LYS 44 -7.404 7.819 -8.904 341 HD2 LYS 44 HD2 LYS 44 -7.629 4.790 -8.868 342 HD3 LYS 44 HD3 LYS 44 -8.785 5.887 -9.616 343 HE2 LYS 44 HE2 LYS 44 -5.891 5.422 -10.480 344 HE3 LYS 44 HE3 LYS 44 -7.369 4.861 -11.289 345 HZ1 LYS 44 HZ1 LYS 44 -6.590 7.710 -10.962 346 HZ2 LYS 44 HZ2 LYS 44 -6.524 6.850 -12.352 347 HZ3 LYS 44 HZ3 LYS 44 -7.982 7.166 -11.655 348 H VAL 45 H VAL 45 -3.944 3.810 -7.964 349 HA VAL 45 HA VAL 45 -1.589 5.191 -6.749 350 HB VAL 45 HB VAL 45 -2.244 2.831 -5.976 351 HG11 VAL 45 HG11 VAL 45 -0.881 2.039 -8.585 352 HG12 VAL 45 HG12 VAL 45 -1.424 0.963 -7.286 353 HG13 VAL 45 HG13 VAL 45 -2.606 1.890 -8.240 354 HG21 VAL 45 HG21 VAL 45 -0.074 3.921 -5.463 355 HG22 VAL 45 HG22 VAL 45 0.116 2.184 -5.726 356 HG23 VAL 45 HG23 VAL 45 0.601 3.321 -6.996 357 H VAL 46 H VAL 46 0.160 5.680 -7.978 358 HA VAL 46 HA VAL 46 -0.166 5.581 -10.906 359 HB VAL 46 HB VAL 46 1.565 7.347 -10.917 360 HG11 VAL 46 HG11 VAL 46 -0.694 7.929 -8.965 361 HG12 VAL 46 HG12 VAL 46 0.203 9.105 -9.939 362 HG13 VAL 46 HG13 VAL 46 -0.825 7.910 -10.740 363 HG21 VAL 46 HG21 VAL 46 1.493 7.202 -7.876 364 HG22 VAL 46 HG22 VAL 46 2.860 6.724 -8.912 365 HG23 VAL 46 HG23 VAL 46 2.337 8.399 -8.874 366 HA PRO 47 HA PRO 47 3.386 2.921 -11.712 367 HB2 PRO 47 HB2 PRO 47 4.552 4.205 -13.872 368 HB3 PRO 47 HB3 PRO 47 3.103 3.169 -13.986 369 HG2 PRO 47 HG2 PRO 47 3.224 6.189 -13.762 370 HG3 PRO 47 HG3 PRO 47 2.267 5.200 -14.914 371 HD2 PRO 47 HD2 PRO 47 1.132 6.189 -12.691 372 HD3 PRO 47 HD3 PRO 47 0.752 4.529 -13.212 373 H GLY 48 H GLY 48 5.462 2.890 -10.967 374 HA2 GLY 48 HA2 GLY 48 7.421 3.559 -9.946 375 HA3 GLY 48 HA3 GLY 48 7.150 5.212 -10.512 376 H GLY 49 H GLY 49 4.327 4.637 -8.948 377 HA2 GLY 49 HA2 GLY 49 5.079 5.946 -6.490 378 HA3 GLY 49 HA3 GLY 49 3.479 5.384 -6.960 379 H LYS 50 H LYS 50 4.132 5.225 -4.430 380 HA LYS 50 HA LYS 50 4.620 2.330 -3.818 381 HB2 LYS 50 HB2 LYS 50 5.528 4.853 -2.389 382 HB3 LYS 50 HB3 LYS 50 5.512 3.271 -1.591 383 HG2 LYS 50 HG2 LYS 50 7.158 2.378 -3.032 384 HG3 LYS 50 HG3 LYS 50 6.970 3.672 -4.225 385 HD2 LYS 50 HD2 LYS 50 7.933 5.314 -2.717 386 HD3 LYS 50 HD3 LYS 50 8.094 4.102 -1.425 387 HE2 LYS 50 HE2 LYS 50 9.711 2.845 -2.670 388 HE3 LYS 50 HE3 LYS 50 9.352 3.723 -4.170 389 HZ1 LYS 50 HZ1 LYS 50 10.314 5.702 -3.210 390 HZ2 LYS 50 HZ2 LYS 50 10.598 4.973 -1.780 391 HZ3 LYS 50 HZ3 LYS 50 11.413 4.492 -3.129 392 H PHE 51 H PHE 51 3.386 1.427 -2.149 393 HA PHE 51 HA PHE 51 0.736 2.614 -1.862 394 HB2 PHE 51 HB2 PHE 51 1.923 0.048 -0.803 395 HB3 PHE 51 HB3 PHE 51 0.245 0.534 -0.571 396 HD1 PHE 51 HD2 PHE 51 -1.236 0.936 -2.625 397 HD2 PHE 51 HD1 PHE 51 2.587 -1.033 -2.837 398 HE1 PHE 51 HE2 PHE 51 -1.813 0.035 -4.863 399 HE2 PHE 51 HE1 PHE 51 2.033 -1.887 -5.095 400 HZ PHE 51 HZ PHE 51 -0.180 -1.366 -6.111 401 HA PRO 52 HA PRO 52 1.785 4.468 2.167 402 HB2 PRO 52 HB2 PRO 52 -0.391 6.028 2.540 403 HB3 PRO 52 HB3 PRO 52 0.796 6.380 1.253 404 HG2 PRO 52 HG2 PRO 52 -1.857 4.942 0.988 405 HG3 PRO 52 HG3 PRO 52 -1.204 6.257 -0.033 406 HD2 PRO 52 HD2 PRO 52 -1.002 3.592 -0.699 407 HD3 PRO 52 HD3 PRO 52 0.224 4.808 -1.163 408 H VAL 53 H VAL 53 -0.864 2.349 1.527 409 HA VAL 53 HA VAL 53 -1.136 1.427 4.257 410 HB VAL 53 HB VAL 53 -3.564 1.548 4.320 411 HG11 VAL 53 HG11 VAL 53 -2.351 4.330 4.134 412 HG12 VAL 53 HG12 VAL 53 -3.798 3.848 5.038 413 HG13 VAL 53 HG13 VAL 53 -2.203 3.239 5.524 414 HG21 VAL 53 HG21 VAL 53 -3.375 3.500 1.998 415 HG22 VAL 53 HG22 VAL 53 -4.057 1.857 1.917 416 HG23 VAL 53 HG23 VAL 53 -4.835 3.089 2.922 417 H ASP 54 H ASP 54 -2.794 -0.550 4.163 418 HA ASP 54 HA ASP 54 -2.239 -2.008 1.626 419 HB2 ASP 54 HB2 ASP 54 -2.060 -3.978 2.732 420 HB3 ASP 54 HB3 ASP 54 -1.251 -2.871 3.824 421 H GLY 55 H GLY 55 -3.828 -3.419 0.712 422 HA2 GLY 55 HA2 GLY 55 -6.521 -3.548 1.554 423 HA3 GLY 55 HA3 GLY 55 -6.398 -2.160 0.477 424 H ARG 56 H ARG 56 -8.075 -3.649 -0.474 425 HA ARG 56 HA ARG 56 -6.901 -5.707 -2.289 426 HB2 ARG 56 HB2 ARG 56 -8.800 -6.254 -0.676 427 HB3 ARG 56 HB3 ARG 56 -9.858 -5.338 -1.751 428 HG2 ARG 56 HG2 ARG 56 -9.282 -6.872 -3.624 429 HG3 ARG 56 HG3 ARG 56 -8.136 -7.721 -2.561 430 HD2 ARG 56 HD2 ARG 56 -9.985 -8.328 -1.045 431 HD3 ARG 56 HD3 ARG 56 -11.138 -7.566 -2.149 432 HE ARG 56 HE ARG 56 -10.886 -9.358 -3.673 433 HH11 ARG 56 HH11 ARG 56 -8.710 -9.974 -0.898 434 HH12 ARG 56 HH12 ARG 56 -8.472 -11.614 -1.500 435 HH21 ARG 56 HH21 ARG 56 -10.463 -11.398 -4.205 436 HH22 ARG 56 HH22 ARG 56 -9.422 -12.384 -3.169 437 H VAL 57 H VAL 57 -7.213 -5.742 -4.473 438 HA VAL 57 HA VAL 57 -7.499 -3.065 -5.744 439 HB VAL 57 HB VAL 57 -6.106 -5.572 -6.777 440 HG11 VAL 57 HG11 VAL 57 -6.047 -2.665 -7.685 441 HG12 VAL 57 HG12 VAL 57 -5.005 -3.965 -8.317 442 HG13 VAL 57 HG13 VAL 57 -6.741 -4.045 -8.571 443 HG21 VAL 57 HG21 VAL 57 -4.869 -3.182 -5.361 444 HG22 VAL 57 HG22 VAL 57 -4.862 -4.868 -4.813 445 HG23 VAL 57 HG23 VAL 57 -3.965 -4.416 -6.262 446 H ILE 58 H ILE 58 -9.097 -2.789 -7.287 447 HA ILE 58 HA ILE 58 -10.463 -5.220 -8.409 448 HB ILE 58 HB ILE 58 -12.674 -4.001 -7.950 449 HG12 ILE 58 HG12 ILE 58 -11.049 -2.627 -5.780 450 HG13 ILE 58 HG13 ILE 58 -11.419 -1.823 -7.316 451 HG21 ILE 58 HG21 ILE 58 -11.916 -6.057 -6.780 452 HG22 ILE 58 HG22 ILE 58 -11.169 -5.043 -5.525 453 HG23 ILE 58 HG23 ILE 58 -12.923 -5.008 -5.779 454 HD11 ILE 58 HD11 ILE 58 -13.487 -2.796 -5.307 455 HD12 ILE 58 HD12 ILE 58 -13.023 -1.119 -5.654 456 HD13 ILE 58 HD13 ILE 58 -13.839 -2.076 -6.902 457 H GLU 59 H GLU 59 -8.636 -3.090 -9.568 458 HA GLU 59 HA GLU 59 -9.789 -3.370 -12.148 459 HB2 GLU 59 HB2 GLU 59 -10.569 -0.939 -10.884 460 HB3 GLU 59 HB3 GLU 59 -9.294 -0.491 -11.975 461 HG2 GLU 59 HG2 GLU 59 -11.803 -2.044 -12.737 462 HG3 GLU 59 HG3 GLU 59 -11.528 -0.326 -13.017 463 H GLY 60 H GLY 60 -8.231 -3.089 -13.765 464 HA2 GLY 60 HA2 GLY 60 -6.334 -2.110 -14.750 465 HA3 GLY 60 HA3 GLY 60 -5.735 -1.624 -13.179 466 H HIS 61 H HIS 61 -3.842 -2.400 -14.442 467 HA HIS 61 HA HIS 61 -3.050 -5.123 -13.569 468 HB2 HIS 61 HB2 HIS 61 -2.130 -5.592 -15.888 469 HB3 HIS 61 HB3 HIS 61 -3.865 -5.723 -15.673 470 HD1 HIS 61 HD1 HIS 61 -1.322 -3.808 -17.699 471 HD2 HIS 61 HD2 HIS 61 -5.428 -3.752 -16.789 472 HE1 HIS 61 HE1 HIS 61 -2.415 -2.219 -19.377 473 H SER 62 H SER 62 -1.140 -5.056 -12.665 474 HA SER 62 HA SER 62 1.030 -3.551 -13.860 475 HB2 SER 62 HB2 SER 62 -0.048 -2.717 -11.162 476 HB3 SER 62 HB3 SER 62 1.663 -2.488 -11.556 477 HG SER 62 HG SER 62 -0.463 -1.644 -13.245 478 H MET 63 H MET 63 3.146 -4.064 -13.094 479 HA MET 63 HA MET 63 3.309 -6.619 -11.606 480 HB2 MET 63 HB2 MET 63 4.136 -6.763 -13.883 481 HB3 MET 63 HB3 MET 63 5.252 -5.418 -13.612 482 HG2 MET 63 HG2 MET 63 6.649 -6.658 -12.273 483 HG3 MET 63 HG3 MET 63 5.367 -7.717 -11.682 484 HE1 MET 63 HE1 MET 63 4.921 -10.060 -12.442 485 HE2 MET 63 HE2 MET 63 3.989 -9.239 -13.719 486 HE3 MET 63 HE3 MET 63 5.083 -10.572 -14.137 487 H VAL 64 H VAL 64 3.972 -6.466 -9.654 488 HA VAL 64 HA VAL 64 5.001 -3.885 -8.566 489 HB VAL 64 HB VAL 64 2.990 -5.942 -7.587 490 HG11 VAL 64 HG11 VAL 64 3.929 -3.494 -6.069 491 HG12 VAL 64 HG12 VAL 64 2.528 -4.493 -5.675 492 HG13 VAL 64 HG13 VAL 64 4.144 -5.200 -5.601 493 HG21 VAL 64 HG21 VAL 64 2.071 -4.383 -9.236 494 HG22 VAL 64 HG22 VAL 64 1.458 -3.933 -7.643 495 HG23 VAL 64 HG23 VAL 64 2.770 -2.997 -8.368 496 H ASP 65 H ASP 65 6.425 -3.824 -6.876 497 HA ASP 65 HA ASP 65 8.095 -6.254 -6.418 498 HB2 ASP 65 HB2 ASP 65 9.178 -4.440 -7.623 499 HB3 ASP 65 HB3 ASP 65 8.701 -3.279 -6.388 500 H GLU 66 H GLU 66 7.677 -7.186 -4.549 501 HA GLU 66 HA GLU 66 7.364 -5.544 -2.067 502 HB2 GLU 66 HB2 GLU 66 5.829 -7.447 -1.237 503 HB3 GLU 66 HB3 GLU 66 5.205 -6.214 -2.303 504 HG2 GLU 66 HG2 GLU 66 5.259 -7.645 -4.218 505 HG3 GLU 66 HG3 GLU 66 6.076 -8.932 -3.307 506 H SER 67 H SER 67 9.726 -6.665 -3.263 507 HA SER 67 HA SER 67 10.622 -9.051 -2.192 508 HB2 SER 67 HB2 SER 67 12.869 -8.284 -2.700 509 HB3 SER 67 HB3 SER 67 11.756 -7.790 -3.981 510 HG SER 67 HG SER 67 13.397 -6.267 -2.740 511 H LEU 68 H LEU 68 10.652 -5.963 -0.426 512 HA LEU 68 HA LEU 68 12.205 -7.185 1.777 513 HB2 LEU 68 HB2 LEU 68 12.565 -4.866 0.953 514 HB3 LEU 68 HB3 LEU 68 10.950 -4.426 1.464 515 HG LEU 68 HG LEU 68 12.842 -3.642 2.885 516 HD11 LEU 68 HD11 LEU 68 10.509 -3.811 3.780 517 HD12 LEU 68 HD12 LEU 68 10.960 -5.362 4.522 518 HD13 LEU 68 HD13 LEU 68 11.798 -3.882 4.990 519 HD21 LEU 68 HD21 LEU 68 14.241 -5.685 2.823 520 HD22 LEU 68 HD22 LEU 68 13.933 -5.109 4.471 521 HD23 LEU 68 HD23 LEU 68 13.053 -6.516 3.855 522 H ILE 69 H ILE 69 8.875 -6.211 1.062 523 HA ILE 69 HA ILE 69 7.888 -6.435 3.753 524 HB ILE 69 HB ILE 69 6.266 -6.521 1.181 525 HG12 ILE 69 HG12 ILE 69 7.715 -4.498 1.157 526 HG13 ILE 69 HG13 ILE 69 5.997 -4.174 1.192 527 HG21 ILE 69 HG21 ILE 69 5.590 -5.883 4.083 528 HG22 ILE 69 HG22 ILE 69 4.528 -5.470 2.731 529 HG23 ILE 69 HG23 ILE 69 4.914 -7.165 3.062 530 HD11 ILE 69 HD11 ILE 69 7.800 -3.998 3.639 531 HD12 ILE 69 HD12 ILE 69 7.256 -2.631 2.636 532 HD13 ILE 69 HD13 ILE 69 6.070 -3.569 3.538 533 H THR 70 H THR 70 7.069 -8.516 0.904 534 HA THR 70 HA THR 70 6.280 -10.690 2.748 535 HB THR 70 HB THR 70 5.252 -11.671 0.722 536 HG1 THR 70 HG1 THR 70 5.176 -10.149 -1.102 537 HG21 THR 70 HG21 THR 70 4.048 -9.969 2.171 538 HG22 THR 70 HG22 THR 70 4.529 -8.719 0.999 539 HG23 THR 70 HG23 THR 70 3.482 -10.055 0.500 540 H GLY 71 H GLY 71 9.010 -9.861 1.006 541 HA2 GLY 71 HA2 GLY 71 11.091 -10.984 1.083 542 HA3 GLY 71 HA3 GLY 71 10.279 -12.478 1.560 543 H GLU 72 H GLU 72 8.944 -10.794 -1.143 544 HA GLU 72 HA GLU 72 9.542 -13.081 -2.908 545 HB2 GLU 72 HB2 GLU 72 7.825 -10.594 -3.180 546 HB3 GLU 72 HB3 GLU 72 8.082 -11.702 -4.525 547 HG2 GLU 72 HG2 GLU 72 6.910 -12.508 -1.836 548 HG3 GLU 72 HG3 GLU 72 5.992 -12.113 -3.290 549 H ALA 73 H ALA 73 11.697 -13.063 -3.493 550 HA ALA 73 HA ALA 73 12.971 -10.694 -4.578 551 HB1 ALA 73 HB1 ALA 73 13.859 -13.604 -4.540 552 HB2 ALA 73 HB2 ALA 73 14.880 -12.180 -4.821 553 HB3 ALA 73 HB3 ALA 73 14.134 -12.419 -3.238 554 H MET 74 H MET 74 10.506 -11.765 -5.960 555 HA MET 74 HA MET 74 11.384 -11.627 -8.728 556 HB2 MET 74 HB2 MET 74 11.354 -14.060 -8.073 557 HB3 MET 74 HB3 MET 74 9.650 -13.888 -7.612 558 HG2 MET 74 HG2 MET 74 9.066 -13.294 -9.888 559 HG3 MET 74 HG3 MET 74 10.776 -13.324 -10.359 560 HE1 MET 74 HE1 MET 74 8.620 -14.909 -12.057 561 HE2 MET 74 HE2 MET 74 10.369 -14.883 -12.384 562 HE3 MET 74 HE3 MET 74 9.496 -16.431 -12.316 563 HA PRO 75 HA PRO 75 8.000 -8.846 -8.145 564 HB2 PRO 75 HB2 PRO 75 7.421 -8.017 -10.650 565 HB3 PRO 75 HB3 PRO 75 8.954 -7.620 -9.828 566 HG2 PRO 75 HG2 PRO 75 8.444 -9.888 -11.788 567 HG3 PRO 75 HG3 PRO 75 9.760 -8.668 -11.832 568 HD2 PRO 75 HD2 PRO 75 10.141 -11.126 -10.742 569 HD3 PRO 75 HD3 PRO 75 10.870 -9.673 -9.991 570 H VAL 76 H VAL 76 5.783 -8.509 -8.342 571 HA VAL 76 HA VAL 76 4.265 -11.050 -8.721 572 HB VAL 76 HB VAL 76 3.750 -8.704 -6.833 573 HG11 VAL 76 HG11 VAL 76 2.578 -11.509 -6.930 574 HG12 VAL 76 HG12 VAL 76 2.279 -10.319 -5.651 575 HG13 VAL 76 HG13 VAL 76 1.708 -10.001 -7.296 576 HG21 VAL 76 HG21 VAL 76 5.816 -9.772 -6.123 577 HG22 VAL 76 HG22 VAL 76 4.526 -10.299 -5.045 578 HG23 VAL 76 HG23 VAL 76 5.094 -11.384 -6.322 579 H ALA 77 H ALA 77 2.423 -11.108 -9.981 580 HA ALA 77 HA ALA 77 1.657 -8.654 -11.435 581 HB1 ALA 77 HB1 ALA 77 0.652 -11.521 -11.629 582 HB2 ALA 77 HB2 ALA 77 0.234 -10.183 -12.722 583 HB3 ALA 77 HB3 ALA 77 1.904 -10.782 -12.654 584 H LYS 78 H LYS 78 -0.103 -7.469 -11.047 585 HA LYS 78 HA LYS 78 -2.177 -8.415 -9.080 586 HB2 LYS 78 HB2 LYS 78 -1.307 -5.554 -9.589 587 HB3 LYS 78 HB3 LYS 78 -2.449 -6.098 -8.367 588 HG2 LYS 78 HG2 LYS 78 0.543 -6.718 -8.407 589 HG3 LYS 78 HG3 LYS 78 -0.240 -5.456 -7.472 590 HD2 LYS 78 HD2 LYS 78 -1.467 -7.122 -6.143 591 HD3 LYS 78 HD3 LYS 78 -0.743 -8.441 -7.087 592 HE2 LYS 78 HE2 LYS 78 1.509 -7.785 -6.366 593 HE3 LYS 78 HE3 LYS 78 0.871 -6.371 -5.521 594 HZ1 LYS 78 HZ1 LYS 78 0.245 -9.183 -4.770 595 HZ2 LYS 78 HZ2 LYS 78 1.310 -8.192 -3.991 596 HZ3 LYS 78 HZ3 LYS 78 -0.299 -7.866 -4.002 597 H LYS 79 H LYS 79 -4.341 -7.932 -9.474 598 HA LYS 79 HA LYS 79 -5.221 -6.944 -12.132 599 HB2 LYS 79 HB2 LYS 79 -6.421 -9.139 -12.460 600 HB3 LYS 79 HB3 LYS 79 -4.670 -9.235 -12.591 601 HG2 LYS 79 HG2 LYS 79 -4.526 -10.217 -10.362 602 HG3 LYS 79 HG3 LYS 79 -6.284 -10.042 -10.136 603 HD2 LYS 79 HD2 LYS 79 -4.860 -11.775 -12.190 604 HD3 LYS 79 HD3 LYS 79 -5.580 -12.333 -10.671 605 HE2 LYS 79 HE2 LYS 79 -7.807 -11.393 -11.528 606 HE3 LYS 79 HE3 LYS 79 -7.007 -11.213 -13.103 607 HZ1 LYS 79 HZ1 LYS 79 -7.463 -13.714 -11.587 608 HZ2 LYS 79 HZ2 LYS 79 -8.075 -13.325 -13.058 609 HZ3 LYS 79 HZ3 LYS 79 -6.474 -13.664 -12.901 610 HA PRO 80 HA PRO 80 -9.020 -6.023 -9.812 611 HB2 PRO 80 HB2 PRO 80 -11.076 -7.116 -11.350 612 HB3 PRO 80 HB3 PRO 80 -10.297 -5.542 -11.669 613 HG2 PRO 80 HG2 PRO 80 -9.634 -8.228 -12.915 614 HG3 PRO 80 HG3 PRO 80 -9.881 -6.652 -13.738 615 HD2 PRO 80 HD2 PRO 80 -7.398 -7.493 -13.236 616 HD3 PRO 80 HD3 PRO 80 -7.827 -5.799 -12.896 617 H GLY 81 H GLY 81 -9.460 -7.063 -8.005 618 HA2 GLY 81 HA2 GLY 81 -10.053 -8.757 -6.518 619 HA3 GLY 81 HA3 GLY 81 -10.021 -9.949 -7.819 620 H SER 82 H SER 82 -7.493 -7.654 -6.562 621 HA SER 82 HA SER 82 -5.832 -10.014 -5.737 622 HB2 SER 82 HB2 SER 82 -4.799 -7.489 -7.088 623 HB3 SER 82 HB3 SER 82 -3.785 -8.718 -6.321 624 HG SER 82 HG SER 82 -4.861 -10.233 -7.833 625 H THR 83 H THR 83 -4.103 -9.426 -4.079 626 HA THR 83 HA THR 83 -5.002 -7.140 -2.349 627 HB THR 83 HB THR 83 -4.116 -8.280 -0.441 628 HG1 THR 83 HG1 THR 83 -2.539 -9.518 -1.050 629 HG21 THR 83 HG21 THR 83 -6.472 -8.751 -1.171 630 HG22 THR 83 HG22 THR 83 -5.884 -10.210 -1.999 631 HG23 THR 83 HG23 THR 83 -5.728 -10.061 -0.238 632 H VAL 84 H VAL 84 -3.529 -5.747 -1.392 633 HA VAL 84 HA VAL 84 -0.653 -5.979 -2.124 634 HB VAL 84 HB VAL 84 -0.545 -3.528 -2.531 635 HG11 VAL 84 HG11 VAL 84 -2.266 -5.063 -4.509 636 HG12 VAL 84 HG12 VAL 84 -1.316 -3.598 -4.846 637 HG13 VAL 84 HG13 VAL 84 -0.492 -5.097 -4.390 638 HG21 VAL 84 HG21 VAL 84 -2.720 -2.850 -1.508 639 HG22 VAL 84 HG22 VAL 84 -2.504 -2.256 -3.159 640 HG23 VAL 84 HG23 VAL 84 -3.571 -3.639 -2.852 641 H ILE 85 H ILE 85 0.755 -4.735 -0.844 642 HA ILE 85 HA ILE 85 -0.227 -3.958 1.839 643 HB ILE 85 HB ILE 85 2.352 -4.620 2.443 644 HG12 ILE 85 HG12 ILE 85 2.730 -6.952 1.754 645 HG13 ILE 85 HG13 ILE 85 1.372 -6.884 0.646 646 HG21 ILE 85 HG21 ILE 85 -0.118 -6.349 2.712 647 HG22 ILE 85 HG22 ILE 85 1.383 -6.496 3.659 648 HG23 ILE 85 HG23 ILE 85 0.397 -5.039 3.801 649 HD11 ILE 85 HD11 ILE 85 2.558 -5.148 -0.693 650 HD12 ILE 85 HD12 ILE 85 3.890 -5.163 0.471 651 HD13 ILE 85 HD13 ILE 85 3.542 -6.609 -0.506 652 H ALA 86 H ALA 86 0.762 -2.358 2.963 653 HA ALA 86 HA ALA 86 1.566 -0.095 1.482 654 HB1 ALA 86 HB1 ALA 86 2.010 -0.657 4.439 655 HB2 ALA 86 HB2 ALA 86 1.913 0.932 3.646 656 HB3 ALA 86 HB3 ALA 86 0.488 -0.112 3.745 657 H GLY 87 H GLY 87 3.507 0.876 1.120 658 HA2 GLY 87 HA2 GLY 87 5.776 1.233 1.047 659 HA3 GLY 87 HA3 GLY 87 6.052 -0.155 2.109 660 H SER 88 H SER 88 4.254 -1.469 -0.322 661 HA SER 88 HA SER 88 6.565 -2.436 -1.869 662 HB2 SER 88 HB2 SER 88 4.938 -4.060 -1.417 663 HB3 SER 88 HB3 SER 88 3.599 -3.001 -1.913 664 HG SER 88 HG SER 88 5.609 -4.023 -3.641 665 H ILE 89 H ILE 89 6.652 -2.268 -4.157 666 HA ILE 89 HA ILE 89 6.090 0.528 -5.049 667 HB ILE 89 HB ILE 89 8.178 -0.991 -6.497 668 HG12 ILE 89 HG12 ILE 89 8.776 -1.840 -4.289 669 HG13 ILE 89 HG13 ILE 89 9.984 -0.801 -5.006 670 HG21 ILE 89 HG21 ILE 89 8.026 1.807 -5.329 671 HG22 ILE 89 HG22 ILE 89 9.326 1.181 -6.357 672 HG23 ILE 89 HG23 ILE 89 7.685 1.325 -6.999 673 HD11 ILE 89 HD11 ILE 89 9.434 1.025 -3.521 674 HD12 ILE 89 HD12 ILE 89 8.051 0.136 -2.850 675 HD13 ILE 89 HD13 ILE 89 9.704 -0.441 -2.568 676 H ASN 90 H ASN 90 5.117 0.965 -6.999 677 HA ASN 90 HA ASN 90 4.340 -1.330 -8.759 678 HB2 ASN 90 HB2 ASN 90 2.507 -0.001 -7.905 679 HB3 ASN 90 HB3 ASN 90 3.302 1.498 -8.361 680 HD21 ASN 90 HD22 ASN 90 0.983 1.608 -9.199 681 HD22 ASN 90 HD21 ASN 90 0.799 1.166 -10.889 682 H GLN 91 H GLN 91 5.204 -1.532 -10.811 683 HA GLN 91 HA GLN 91 6.523 0.824 -11.997 684 HB2 GLN 91 HB2 GLN 91 8.187 -0.793 -10.776 685 HB3 GLN 91 HB3 GLN 91 7.914 -1.849 -12.163 686 HG2 GLN 91 HG2 GLN 91 9.584 -0.608 -13.122 687 HG3 GLN 91 HG3 GLN 91 8.266 0.537 -13.451 688 HE21 GLN 91 HE22 GLN 91 8.259 2.546 -12.277 689 HE22 GLN 91 HE21 GLN 91 9.493 2.918 -11.059 690 H ASN 92 H ASN 92 4.118 0.321 -12.851 691 HA ASN 92 HA ASN 92 4.628 -0.348 -15.643 692 HB2 ASN 92 HB2 ASN 92 4.106 -2.597 -14.783 693 HB3 ASN 92 HB3 ASN 92 2.589 -1.997 -14.105 694 HD21 ASN 92 HD22 ASN 92 0.737 -1.972 -15.512 695 HD22 ASN 92 HD21 ASN 92 0.912 -2.160 -17.237 696 H GLY 93 H GLY 93 1.829 0.305 -13.423 697 HA2 GLY 93 HA2 GLY 93 0.893 2.534 -15.098 698 HA3 GLY 93 HA3 GLY 93 0.021 1.035 -15.403 699 H SER 94 H SER 94 -1.908 2.140 -14.725 700 HA SER 94 HA SER 94 -2.179 2.973 -11.920 701 HB2 SER 94 HB2 SER 94 -3.272 4.232 -13.725 702 HB3 SER 94 HB3 SER 94 -4.215 2.798 -14.156 703 HG SER 94 HG SER 94 -5.489 4.006 -12.866 704 H LEU 95 H LEU 95 -4.011 2.216 -10.715 705 HA LEU 95 HA LEU 95 -5.236 -0.271 -10.973 706 HB2 LEU 95 HB2 LEU 95 -3.274 -0.156 -8.666 707 HB3 LEU 95 HB3 LEU 95 -4.545 -1.329 -8.819 708 HG LEU 95 HG LEU 95 -2.118 -1.124 -10.647 709 HD11 LEU 95 HD11 LEU 95 -1.378 -3.153 -9.430 710 HD12 LEU 95 HD12 LEU 95 -1.500 -1.748 -8.364 711 HD13 LEU 95 HD13 LEU 95 -2.763 -2.999 -8.332 712 HD21 LEU 95 HD21 LEU 95 -2.829 -3.393 -11.366 713 HD22 LEU 95 HD22 LEU 95 -4.291 -3.259 -10.364 714 HD23 LEU 95 HD23 LEU 95 -4.056 -2.165 -11.727 715 H LEU 96 H LEU 96 -6.989 -0.409 -9.542 716 HA LEU 96 HA LEU 96 -7.501 2.033 -7.855 717 HB2 LEU 96 HB2 LEU 96 -9.339 0.270 -9.495 718 HB3 LEU 96 HB3 LEU 96 -9.936 1.281 -8.192 719 HG LEU 96 HG LEU 96 -9.133 3.296 -9.280 720 HD11 LEU 96 HD11 LEU 96 -8.214 1.464 -11.533 721 HD12 LEU 96 HD12 LEU 96 -8.528 3.186 -11.768 722 HD13 LEU 96 HD13 LEU 96 -7.261 2.681 -10.659 723 HD21 LEU 96 HD21 LEU 96 -10.709 3.415 -11.091 724 HD22 LEU 96 HD22 LEU 96 -10.819 1.639 -11.168 725 HD23 LEU 96 HD23 LEU 96 -11.410 2.512 -9.735 726 H ILE 97 H ILE 97 -7.186 1.636 -5.768 727 HA ILE 97 HA ILE 97 -7.713 -1.103 -4.706 728 HB ILE 97 HB ILE 97 -5.883 1.003 -3.515 729 HG12 ILE 97 HG12 ILE 97 -4.127 -0.825 -4.464 730 HG13 ILE 97 HG13 ILE 97 -5.358 -0.999 -5.710 731 HG21 ILE 97 HG21 ILE 97 -6.045 -2.016 -3.103 732 HG22 ILE 97 HG22 ILE 97 -4.937 -0.897 -2.289 733 HG23 ILE 97 HG23 ILE 97 -6.667 -0.793 -1.974 734 HD11 ILE 97 HD11 ILE 97 -5.157 1.462 -6.191 735 HD12 ILE 97 HD12 ILE 97 -3.948 1.583 -4.898 736 HD13 ILE 97 HD13 ILE 97 -3.624 0.605 -6.346 737 H CYS 98 H CYS 98 -9.228 -1.425 -3.219 738 HA CYS 98 HA CYS 98 -10.545 0.879 -1.895 739 HB2 CYS 98 HB2 CYS 98 -12.192 -0.704 -1.120 740 HB3 CYS 98 HB3 CYS 98 -11.978 -0.861 -2.860 741 HG CYS 98 HG CYS 98 -10.148 -2.896 -2.526 742 H ALA 99 H ALA 99 -9.733 1.683 -0.003 743 HA ALA 99 HA ALA 99 -7.573 0.254 1.284 744 HB1 ALA 99 HB1 ALA 99 -8.963 2.892 1.912 745 HB2 ALA 99 HB2 ALA 99 -7.466 2.301 2.668 746 HB3 ALA 99 HB3 ALA 99 -7.494 2.665 0.932 747 H THR 100 H THR 100 -7.761 -1.199 2.846 748 HA THR 100 HA THR 100 -10.250 -1.299 4.512 749 HB THR 100 HB THR 100 -9.743 -3.716 4.703 750 HG1 THR 100 HG1 THR 100 -8.042 -4.524 3.386 751 HG21 THR 100 HG21 THR 100 -11.071 -2.807 2.707 752 HG22 THR 100 HG22 THR 100 -9.578 -2.945 1.763 753 HG23 THR 100 HG23 THR 100 -10.305 -4.394 2.478 754 H HIS 101 H HIS 101 -6.930 -0.609 4.844 755 HA HIS 101 HA HIS 101 -7.280 -0.555 7.792 756 HB2 HIS 101 HB2 HIS 101 -4.763 -1.506 6.376 757 HB3 HIS 101 HB3 HIS 101 -5.022 -1.412 8.115 758 HD1 HIS 101 HD1 HIS 101 -5.565 -3.725 5.169 759 HD2 HIS 101 HD2 HIS 101 -6.718 -3.339 9.205 760 HE1 HIS 101 HE1 HIS 101 -6.656 -5.917 5.798 761 H VAL 102 H VAL 102 -6.155 1.119 8.802 762 HA VAL 102 HA VAL 102 -4.754 3.146 7.096 763 HB VAL 102 HB VAL 102 -4.973 4.640 9.092 764 HG11 VAL 102 HG11 VAL 102 -7.551 3.674 7.804 765 HG12 VAL 102 HG12 VAL 102 -7.280 5.247 8.596 766 HG13 VAL 102 HG13 VAL 102 -6.381 4.838 7.127 767 HG21 VAL 102 HG21 VAL 102 -5.457 2.893 10.822 768 HG22 VAL 102 HG22 VAL 102 -6.655 4.196 10.773 769 HG23 VAL 102 HG23 VAL 102 -7.051 2.625 10.062 770 H GLY 103 H GLY 103 -2.766 4.290 8.590 771 HA2 GLY 103 HA2 GLY 103 -0.825 2.212 8.513 772 HA3 GLY 103 HA3 GLY 103 -0.637 3.866 9.093 773 H ALA 104 H ALA 104 -2.751 3.550 11.209 774 HA ALA 104 HA ALA 104 -1.285 2.262 13.318 775 HB1 ALA 104 HB1 ALA 104 -4.205 3.133 13.106 776 HB2 ALA 104 HB2 ALA 104 -3.363 2.711 14.608 777 HB3 ALA 104 HB3 ALA 104 -2.845 4.123 13.670 778 H ASP 105 H ASP 105 -4.062 1.161 11.357 779 HA ASP 105 HA ASP 105 -4.519 -1.272 12.897 780 HB2 ASP 105 HB2 ASP 105 -6.253 0.277 11.926 781 HB3 ASP 105 HB3 ASP 105 -5.784 -0.279 10.324 782 H THR 106 H THR 106 -2.428 -0.614 10.226 783 HA THR 106 HA THR 106 -2.992 -3.009 8.728 784 HB THR 106 HB THR 106 -2.175 -1.090 7.571 785 HG1 THR 106 HG1 THR 106 -1.670 -2.886 6.537 786 HG21 THR 106 HG21 THR 106 0.467 -1.456 9.022 787 HG22 THR 106 HG22 THR 106 0.163 -0.358 7.660 788 HG23 THR 106 HG23 THR 106 -0.653 -0.095 9.207 789 H THR 107 H THR 107 -1.884 -4.883 8.415 790 HA THR 107 HA THR 107 -0.550 -6.228 10.478 791 HB THR 107 HB THR 107 -1.556 -7.319 8.549 792 HG1 THR 107 HG1 THR 107 0.021 -8.430 9.686 793 HG21 THR 107 HG21 THR 107 -0.521 -7.466 6.385 794 HG22 THR 107 HG22 THR 107 -0.779 -5.758 6.729 795 HG23 THR 107 HG23 THR 107 0.849 -6.462 6.887 796 H LEU 108 H LEU 108 0.905 -4.099 7.998 797 HA LEU 108 HA LEU 108 3.611 -4.805 8.394 798 HB2 LEU 108 HB2 LEU 108 2.525 -3.391 6.547 799 HB3 LEU 108 HB3 LEU 108 2.468 -2.064 7.699 800 HG LEU 108 HG LEU 108 5.047 -2.337 7.899 801 HD11 LEU 108 HD11 LEU 108 4.551 -3.846 5.284 802 HD12 LEU 108 HD12 LEU 108 6.130 -3.296 5.905 803 HD13 LEU 108 HD13 LEU 108 5.225 -4.560 6.772 804 HD21 LEU 108 HD21 LEU 108 3.899 -0.520 6.660 805 HD22 LEU 108 HD22 LEU 108 5.426 -1.003 5.890 806 HD23 LEU 108 HD23 LEU 108 3.893 -1.543 5.201 807 H SER 109 H SER 109 1.672 -2.266 10.076 808 HA SER 109 HA SER 109 3.825 -1.586 11.896 809 HB2 SER 109 HB2 SER 109 2.117 -0.193 13.012 810 HB3 SER 109 HB3 SER 109 2.368 0.143 11.290 811 HG SER 109 HG SER 109 0.228 0.106 11.541 812 H GLN 110 H GLN 110 1.124 -3.892 11.959 813 HA GLN 110 HA GLN 110 1.149 -4.426 14.779 814 HB2 GLN 110 HB2 GLN 110 -0.600 -5.153 13.075 815 HB3 GLN 110 HB3 GLN 110 0.525 -6.350 12.505 816 HG2 GLN 110 HG2 GLN 110 -0.860 -7.556 13.897 817 HG3 GLN 110 HG3 GLN 110 0.582 -7.322 14.882 818 HE21 GLN 110 HE22 GLN 110 -2.475 -5.537 14.110 819 HE22 GLN 110 HE21 GLN 110 -2.764 -5.072 15.773 820 H ILE 111 H ILE 111 2.986 -5.873 12.064 821 HA ILE 111 HA ILE 111 4.422 -7.845 13.513 822 HB ILE 111 HB ILE 111 5.116 -6.278 11.003 823 HG12 ILE 111 HG12 ILE 111 4.304 -9.205 11.214 824 HG13 ILE 111 HG13 ILE 111 3.089 -7.944 11.129 825 HG21 ILE 111 HG21 ILE 111 6.546 -8.719 12.164 826 HG22 ILE 111 HG22 ILE 111 6.806 -8.078 10.532 827 HG23 ILE 111 HG23 ILE 111 7.243 -7.103 11.924 828 HD11 ILE 111 HD11 ILE 111 3.453 -8.809 8.908 829 HD12 ILE 111 HD12 ILE 111 4.047 -7.139 8.972 830 HD13 ILE 111 HD13 ILE 111 5.195 -8.501 9.004 831 H VAL 112 H VAL 112 5.579 -4.488 12.683 832 HA VAL 112 HA VAL 112 7.913 -4.828 14.316 833 HB VAL 112 HB VAL 112 8.306 -2.447 14.151 834 HG11 VAL 112 HG11 VAL 112 7.379 -3.577 11.478 835 HG12 VAL 112 HG12 VAL 112 8.612 -2.327 11.770 836 HG13 VAL 112 HG13 VAL 112 8.908 -3.992 12.284 837 HG21 VAL 112 HG21 VAL 112 5.960 -1.599 14.282 838 HG22 VAL 112 HG22 VAL 112 6.862 -0.955 12.910 839 HG23 VAL 112 HG23 VAL 112 5.678 -2.253 12.651 840 H LYS 113 H LYS 113 4.669 -3.787 15.228 841 HA LYS 113 HA LYS 113 5.428 -2.758 17.849 842 HB2 LYS 113 HB2 LYS 113 2.801 -3.706 16.642 843 HB3 LYS 113 HB3 LYS 113 2.944 -3.242 18.340 844 HG2 LYS 113 HG2 LYS 113 3.682 -0.995 17.762 845 HG3 LYS 113 HG3 LYS 113 3.734 -1.404 16.060 846 HD2 LYS 113 HD2 LYS 113 1.759 -0.136 16.399 847 HD3 LYS 113 HD3 LYS 113 1.260 -1.811 16.081 848 HE2 LYS 113 HE2 LYS 113 1.014 -2.202 18.497 849 HE3 LYS 113 HE3 LYS 113 1.623 -0.575 18.837 850 HZ1 LYS 113 HZ1 LYS 113 -0.891 -1.185 17.371 851 HZ2 LYS 113 HZ2 LYS 113 -0.803 -0.668 18.938 852 HZ3 LYS 113 HZ3 LYS 113 -0.352 0.335 17.741 853 H LEU 114 H LEU 114 4.385 -5.985 16.722 854 HA LEU 114 HA LEU 114 4.676 -7.266 19.277 855 HB2 LEU 114 HB2 LEU 114 4.433 -8.099 16.391 856 HB3 LEU 114 HB3 LEU 114 4.951 -9.310 17.551 857 HG LEU 114 HG LEU 114 2.412 -7.672 17.719 858 HD11 LEU 114 HD11 LEU 114 2.381 -9.198 15.801 859 HD12 LEU 114 HD12 LEU 114 2.833 -10.560 16.852 860 HD13 LEU 114 HD13 LEU 114 1.256 -9.753 17.052 861 HD21 LEU 114 HD21 LEU 114 3.080 -8.478 19.966 862 HD22 LEU 114 HD22 LEU 114 1.721 -9.441 19.391 863 HD23 LEU 114 HD23 LEU 114 3.371 -10.103 19.319 864 H VAL 115 H VAL 115 7.017 -6.735 16.684 865 HA VAL 115 HA VAL 115 9.147 -8.293 17.939 866 HB VAL 115 HB VAL 115 9.223 -6.137 15.801 867 HG11 VAL 115 HG11 VAL 115 11.487 -7.932 16.782 868 HG12 VAL 115 HG12 VAL 115 11.523 -6.939 15.319 869 HG13 VAL 115 HG13 VAL 115 11.427 -6.152 16.892 870 HG21 VAL 115 HG21 VAL 115 8.152 -8.331 15.177 871 HG22 VAL 115 HG22 VAL 115 9.649 -8.029 14.292 872 HG23 VAL 115 HG23 VAL 115 9.636 -9.163 15.659 873 H GLU 116 H GLU 116 8.467 -4.823 17.862 874 HA GLU 116 HA GLU 116 10.415 -3.953 19.694 875 HB2 GLU 116 HB2 GLU 116 9.068 -2.521 18.232 876 HB3 GLU 116 HB3 GLU 116 7.642 -2.767 19.233 877 HG2 GLU 116 HG2 GLU 116 10.183 -1.665 20.472 878 HG3 GLU 116 HG3 GLU 116 9.237 -0.632 19.416 879 H GLU 117 H GLU 117 7.165 -5.280 20.541 880 HA GLU 117 HA GLU 117 7.493 -4.834 23.399 881 HB2 GLU 117 HB2 GLU 117 5.761 -6.659 21.696 882 HB3 GLU 117 HB3 GLU 117 5.702 -6.648 23.460 883 HG2 GLU 117 HG2 GLU 117 5.395 -4.037 21.981 884 HG3 GLU 117 HG3 GLU 117 4.055 -5.167 22.018 885 H ALA 118 H ALA 118 8.533 -7.410 21.171 886 HA ALA 118 HA ALA 118 9.351 -9.222 23.294 887 HB1 ALA 118 HB1 ALA 118 10.065 -9.174 20.336 888 HB2 ALA 118 HB2 ALA 118 10.362 -10.506 21.477 889 HB3 ALA 118 HB3 ALA 118 8.706 -10.021 21.078 890 H GLN 119 H GLN 119 11.345 -7.442 20.943 891 HA GLN 119 HA GLN 119 13.819 -7.768 21.912 892 HB2 GLN 119 HB2 GLN 119 12.552 -5.429 20.450 893 HB3 GLN 119 HB3 GLN 119 14.231 -5.399 20.904 894 HG2 GLN 119 HG2 GLN 119 13.302 -6.326 18.524 895 HG3 GLN 119 HG3 GLN 119 14.940 -6.468 19.170 896 HE21 GLN 119 HE22 GLN 119 11.769 -8.043 19.149 897 HE22 GLN 119 HE21 GLN 119 12.477 -9.610 19.560 Start of MODEL 23 1 H SER 1 H SER 1 17.578 -7.155 12.832 2 HA SER 1 HA SER 1 16.298 -4.966 14.240 3 HB2 SER 1 HB2 SER 1 19.276 -5.434 13.943 4 HB3 SER 1 HB3 SER 1 18.405 -4.672 15.288 5 HG SER 1 HG SER 1 17.420 -6.741 15.680 6 H GLU 2 H GLU 2 18.012 -5.191 11.170 7 HA GLU 2 HA GLU 2 18.168 -2.214 10.899 8 HB2 GLU 2 HB2 GLU 2 19.119 -4.520 9.146 9 HB3 GLU 2 HB3 GLU 2 19.089 -2.837 8.632 10 HG2 GLU 2 HG2 GLU 2 21.293 -3.206 9.315 11 HG3 GLU 2 HG3 GLU 2 20.557 -2.229 10.571 12 H ALA 3 H ALA 3 16.256 -4.979 9.952 13 HA ALA 3 HA ALA 3 14.554 -3.648 8.024 14 HB1 ALA 3 HB1 ALA 3 13.892 -6.008 9.823 15 HB2 ALA 3 HB2 ALA 3 13.110 -5.568 8.297 16 HB3 ALA 3 HB3 ALA 3 14.799 -6.128 8.315 17 H LEU 4 H LEU 4 14.423 -4.028 11.539 18 HA LEU 4 HA LEU 4 12.057 -2.936 12.285 19 HB2 LEU 4 HB2 LEU 4 14.036 -3.706 13.742 20 HB3 LEU 4 HB3 LEU 4 14.702 -2.094 13.534 21 HG LEU 4 HG LEU 4 12.357 -1.286 14.485 22 HD11 LEU 4 HD11 LEU 4 12.575 -4.087 15.642 23 HD12 LEU 4 HD12 LEU 4 11.359 -2.857 16.045 24 HD13 LEU 4 HD13 LEU 4 11.376 -3.597 14.427 25 HD21 LEU 4 HD21 LEU 4 14.476 -0.929 15.622 26 HD22 LEU 4 HD22 LEU 4 13.255 -1.471 16.784 27 HD23 LEU 4 HD23 LEU 4 14.490 -2.607 16.193 28 H ALA 5 H ALA 5 14.804 -0.943 11.126 29 HA ALA 5 HA ALA 5 13.341 1.588 11.474 30 HB1 ALA 5 HB1 ALA 5 15.362 2.548 10.399 31 HB2 ALA 5 HB2 ALA 5 15.783 1.533 11.792 32 HB3 ALA 5 HB3 ALA 5 16.007 0.916 10.137 33 H LYS 6 H LYS 6 14.088 -0.727 8.880 34 HA LYS 6 HA LYS 6 13.208 0.851 6.666 35 HB2 LYS 6 HB2 LYS 6 14.587 -1.216 6.531 36 HB3 LYS 6 HB3 LYS 6 13.160 -2.189 6.909 37 HG2 LYS 6 HG2 LYS 6 12.087 -1.646 4.873 38 HG3 LYS 6 HG3 LYS 6 13.124 -0.243 4.593 39 HD2 LYS 6 HD2 LYS 6 15.072 -1.720 4.235 40 HD3 LYS 6 HD3 LYS 6 14.047 -3.152 4.484 41 HE2 LYS 6 HE2 LYS 6 12.686 -2.577 2.534 42 HE3 LYS 6 HE3 LYS 6 13.498 -1.013 2.378 43 HZ1 LYS 6 HZ1 LYS 6 14.861 -3.633 2.020 44 HZ2 LYS 6 HZ2 LYS 6 14.355 -2.631 0.815 45 HZ3 LYS 6 HZ3 LYS 6 15.548 -2.166 1.858 46 H LEU 7 H LEU 7 11.302 -1.243 8.859 47 HA LEU 7 HA LEU 7 8.815 -0.978 7.519 48 HB2 LEU 7 HB2 LEU 7 9.650 -1.449 10.370 49 HB3 LEU 7 HB3 LEU 7 7.963 -1.094 10.038 50 HG LEU 7 HG LEU 7 8.183 -3.441 10.204 51 HD11 LEU 7 HD11 LEU 7 7.169 -4.190 8.211 52 HD12 LEU 7 HD12 LEU 7 6.734 -2.476 8.362 53 HD13 LEU 7 HD13 LEU 7 7.987 -2.978 7.210 54 HD21 LEU 7 HD21 LEU 7 10.524 -3.794 9.730 55 HD22 LEU 7 HD22 LEU 7 9.550 -4.807 8.663 56 HD23 LEU 7 HD23 LEU 7 10.292 -3.321 8.025 57 H ILE 8 H ILE 8 10.403 1.398 9.655 58 HA ILE 8 HA ILE 8 8.217 3.291 9.552 59 HB ILE 8 HB ILE 8 11.143 3.766 10.171 60 HG12 ILE 8 HG12 ILE 8 10.126 2.159 11.694 61 HG13 ILE 8 HG13 ILE 8 10.488 3.672 12.511 62 HG21 ILE 8 HG21 ILE 8 8.721 5.561 10.537 63 HG22 ILE 8 HG22 ILE 8 10.294 5.818 11.327 64 HG23 ILE 8 HG23 ILE 8 10.172 5.875 9.566 65 HD11 ILE 8 HD11 ILE 8 8.069 4.274 12.440 66 HD12 ILE 8 HD12 ILE 8 7.720 2.735 11.611 67 HD13 ILE 8 HD13 ILE 8 8.355 2.726 13.254 68 H SER 9 H SER 9 11.139 2.819 7.489 69 HA SER 9 HA SER 9 10.576 5.146 5.860 70 HB2 SER 9 HB2 SER 9 12.296 2.718 5.258 71 HB3 SER 9 HB3 SER 9 12.245 4.238 4.347 72 HG SER 9 HG SER 9 12.782 5.287 6.404 73 H LEU 10 H LEU 10 9.235 1.929 5.855 74 HA LEU 10 HA LEU 10 8.289 1.971 3.089 75 HB2 LEU 10 HB2 LEU 10 7.903 0.222 5.541 76 HB3 LEU 10 HB3 LEU 10 6.927 -0.019 4.099 77 HG LEU 10 HG LEU 10 9.962 0.015 3.892 78 HD11 LEU 10 HD11 LEU 10 8.150 -2.347 4.555 79 HD12 LEU 10 HD12 LEU 10 9.830 -2.473 3.994 80 HD13 LEU 10 HD13 LEU 10 9.481 -1.705 5.544 81 HD21 LEU 10 HD21 LEU 10 8.516 0.121 1.807 82 HD22 LEU 10 HD22 LEU 10 9.545 -1.315 1.903 83 HD23 LEU 10 HD23 LEU 10 7.824 -1.442 2.298 84 H GLN 11 H GLN 11 7.217 3.398 6.079 85 HA GLN 11 HA GLN 11 4.367 3.338 5.370 86 HB2 GLN 11 HB2 GLN 11 5.893 4.227 7.790 87 HB3 GLN 11 HB3 GLN 11 4.219 4.739 7.513 88 HG2 GLN 11 HG2 GLN 11 3.489 2.391 7.260 89 HG3 GLN 11 HG3 GLN 11 5.150 1.844 7.554 90 HE21 GLN 11 HE22 GLN 11 6.025 2.020 9.672 91 HE22 GLN 11 HE21 GLN 11 5.036 2.580 11.028 92 H ALA 12 H ALA 12 3.118 4.978 4.780 93 HA ALA 12 HA ALA 12 4.346 7.332 3.560 94 HB1 ALA 12 HB1 ALA 12 2.030 7.532 2.590 95 HB2 ALA 12 HB2 ALA 12 2.769 5.947 2.311 96 HB3 ALA 12 HB3 ALA 12 1.537 6.156 3.585 97 H THR 13 H THR 13 3.462 9.439 3.709 98 HA THR 13 HA THR 13 1.810 10.058 6.154 99 HB THR 13 HB THR 13 3.741 11.962 4.805 100 HG1 THR 13 HG1 THR 13 5.014 10.551 5.748 101 HG21 THR 13 HG21 THR 13 3.590 13.061 7.111 102 HG22 THR 13 HG22 THR 13 2.171 13.256 6.083 103 HG23 THR 13 HG23 THR 13 2.148 12.063 7.401 104 H GLU 14 H GLU 14 1.543 9.885 2.799 105 HA GLU 14 HA GLU 14 -0.832 11.637 2.800 106 HB2 GLU 14 HB2 GLU 14 -0.090 12.680 0.717 107 HB3 GLU 14 HB3 GLU 14 0.976 13.062 2.060 108 HG2 GLU 14 HG2 GLU 14 2.635 11.403 1.306 109 HG3 GLU 14 HG3 GLU 14 1.551 10.899 0.003 110 H ALA 15 H ALA 15 -2.316 11.305 1.050 111 HA ALA 15 HA ALA 15 -2.035 8.862 -0.585 112 HB1 ALA 15 HB1 ALA 15 -4.213 7.987 0.164 113 HB2 ALA 15 HB2 ALA 15 -3.082 8.108 1.527 114 HB3 ALA 15 HB3 ALA 15 -4.364 9.323 1.328 115 H THR 16 H THR 16 -3.644 8.720 -2.286 116 HA THR 16 HA THR 16 -4.930 11.341 -3.045 117 HB THR 16 HB THR 16 -3.580 9.375 -4.906 118 HG1 THR 16 HG1 THR 16 -2.126 10.627 -3.810 119 HG21 THR 16 HG21 THR 16 -4.986 12.027 -5.467 120 HG22 THR 16 HG22 THR 16 -3.924 11.176 -6.609 121 HG23 THR 16 HG23 THR 16 -5.442 10.429 -6.098 122 H ILE 17 H ILE 17 -7.094 11.257 -3.036 123 HA ILE 17 HA ILE 17 -8.460 8.634 -3.397 124 HB ILE 17 HB ILE 17 -9.700 11.198 -2.353 125 HG12 ILE 17 HG12 ILE 17 -8.287 9.037 -0.734 126 HG13 ILE 17 HG13 ILE 17 -7.842 10.735 -0.863 127 HG21 ILE 17 HG21 ILE 17 -11.390 9.620 -1.442 128 HG22 ILE 17 HG22 ILE 17 -11.251 9.451 -3.178 129 HG23 ILE 17 HG23 ILE 17 -10.468 8.255 -2.130 130 HD11 ILE 17 HD11 ILE 17 -10.302 9.632 0.529 131 HD12 ILE 17 HD12 ILE 17 -8.900 10.424 1.250 132 HD13 ILE 17 HD13 ILE 17 -10.005 11.366 0.231 133 H VAL 18 H VAL 18 -9.824 8.211 -5.085 134 HA VAL 18 HA VAL 18 -10.399 10.398 -7.051 135 HB VAL 18 HB VAL 18 -9.502 7.575 -7.707 136 HG11 VAL 18 HG11 VAL 18 -10.217 9.914 -9.522 137 HG12 VAL 18 HG12 VAL 18 -9.472 8.393 -10.050 138 HG13 VAL 18 HG13 VAL 18 -11.102 8.381 -9.377 139 HG21 VAL 18 HG21 VAL 18 -7.548 8.813 -8.758 140 HG22 VAL 18 HG22 VAL 18 -8.089 10.254 -7.878 141 HG23 VAL 18 HG23 VAL 18 -7.578 8.814 -6.988 142 H THR 19 H THR 19 -12.462 10.735 -7.185 143 HA THR 19 HA THR 19 -14.431 8.516 -6.799 144 HB THR 19 HB THR 19 -14.763 11.303 -5.649 145 HG1 THR 19 HG1 THR 19 -13.062 10.551 -4.584 146 HG21 THR 19 HG21 THR 19 -16.842 10.062 -5.761 147 HG22 THR 19 HG22 THR 19 -16.072 8.608 -5.070 148 HG23 THR 19 HG23 THR 19 -16.300 10.065 -4.087 149 H LEU 20 H LEU 20 -16.456 8.775 -7.835 150 HA LEU 20 HA LEU 20 -16.431 10.632 -10.157 151 HB2 LEU 20 HB2 LEU 20 -18.406 8.410 -9.598 152 HB3 LEU 20 HB3 LEU 20 -18.182 9.291 -11.091 153 HG LEU 20 HG LEU 20 -16.158 7.359 -9.861 154 HD11 LEU 20 HD11 LEU 20 -18.176 7.025 -12.110 155 HD12 LEU 20 HD12 LEU 20 -16.853 5.887 -11.748 156 HD13 LEU 20 HD13 LEU 20 -18.136 6.169 -10.564 157 HD21 LEU 20 HD21 LEU 20 -15.085 9.050 -11.264 158 HD22 LEU 20 HD22 LEU 20 -15.083 7.486 -12.088 159 HD23 LEU 20 HD23 LEU 20 -16.246 8.753 -12.570 160 H ASP 21 H ASP 21 -17.938 12.166 -10.496 161 HA ASP 21 HA ASP 21 -20.157 12.505 -8.511 162 HB2 ASP 21 HB2 ASP 21 -18.050 14.409 -9.186 163 HB3 ASP 21 HB3 ASP 21 -19.615 15.043 -9.661 164 H SER 22 H SER 22 -19.447 11.877 -11.672 165 HA SER 22 HA SER 22 -22.239 11.950 -12.386 166 HB2 SER 22 HB2 SER 22 -20.371 13.462 -14.240 167 HB3 SER 22 HB3 SER 22 -22.008 12.926 -14.618 168 HG SER 22 HG SER 22 -22.275 14.923 -14.022 169 H ASP 23 H ASP 23 -22.733 10.334 -13.530 170 HA ASP 23 HA ASP 23 -21.891 8.009 -13.428 171 HB2 ASP 23 HB2 ASP 23 -24.005 8.852 -14.486 172 HB3 ASP 23 HB3 ASP 23 -23.181 8.840 -16.042 173 H ASN 24 H ASN 24 -19.563 8.250 -13.521 174 HA ASN 24 HA ASN 24 -17.492 7.580 -14.169 175 HB2 ASN 24 HB2 ASN 24 -18.441 5.467 -14.938 176 HB3 ASN 24 HB3 ASN 24 -18.816 6.177 -16.504 177 HD21 ASN 24 HD22 ASN 24 -15.973 5.518 -14.478 178 HD22 ASN 24 HD21 ASN 24 -15.085 5.164 -15.971 179 H ILE 25 H ILE 25 -19.454 9.493 -16.378 180 HA ILE 25 HA ILE 25 -17.454 10.479 -18.011 181 HB ILE 25 HB ILE 25 -19.268 12.229 -18.388 182 HG12 ILE 25 HG12 ILE 25 -20.940 10.601 -16.487 183 HG13 ILE 25 HG13 ILE 25 -20.257 12.196 -16.148 184 HG21 ILE 25 HG21 ILE 25 -20.095 9.295 -18.518 185 HG22 ILE 25 HG22 ILE 25 -20.655 10.603 -19.586 186 HG23 ILE 25 HG23 ILE 25 -18.975 10.069 -19.646 187 HD11 ILE 25 HD11 ILE 25 -22.574 12.438 -16.821 188 HD12 ILE 25 HD12 ILE 25 -21.540 13.119 -18.092 189 HD13 ILE 25 HD13 ILE 25 -22.300 11.523 -18.306 190 H LEU 26 H LEU 26 -17.999 11.354 -14.686 191 HA LEU 26 HA LEU 26 -16.049 13.589 -15.064 192 HB2 LEU 26 HB2 LEU 26 -18.284 14.521 -14.783 193 HB3 LEU 26 HB3 LEU 26 -18.444 13.704 -13.225 194 HG LEU 26 HG LEU 26 -15.953 15.301 -13.435 195 HD11 LEU 26 HD11 LEU 26 -18.633 16.726 -13.518 196 HD12 LEU 26 HD12 LEU 26 -17.050 17.484 -13.220 197 HD13 LEU 26 HD13 LEU 26 -17.390 16.744 -14.796 198 HD21 LEU 26 HD21 LEU 26 -16.622 16.110 -11.254 199 HD22 LEU 26 HD22 LEU 26 -18.241 15.410 -11.463 200 HD23 LEU 26 HD23 LEU 26 -16.814 14.350 -11.313 201 H LEU 27 H LEU 27 -14.400 13.442 -14.014 202 HA LEU 27 HA LEU 27 -14.045 11.615 -11.647 203 HB2 LEU 27 HB2 LEU 27 -11.859 12.791 -13.406 204 HB3 LEU 27 HB3 LEU 27 -11.668 11.642 -12.108 205 HG LEU 27 HG LEU 27 -11.353 10.397 -13.990 206 HD11 LEU 27 HD11 LEU 27 -14.298 9.914 -13.484 207 HD12 LEU 27 HD12 LEU 27 -13.126 8.770 -14.155 208 HD13 LEU 27 HD13 LEU 27 -12.962 9.297 -12.471 209 HD21 LEU 27 HD21 LEU 27 -12.174 11.993 -15.692 210 HD22 LEU 27 HD22 LEU 27 -12.652 10.322 -16.007 211 HD23 LEU 27 HD23 LEU 27 -13.843 11.461 -15.366 212 H SER 28 H SER 28 -13.647 12.466 -9.664 213 HA SER 28 HA SER 28 -12.528 15.237 -9.447 214 HB2 SER 28 HB2 SER 28 -14.901 15.294 -8.899 215 HB3 SER 28 HB3 SER 28 -14.700 13.969 -7.740 216 HG SER 28 HG SER 28 -14.640 16.358 -7.077 217 H GLU 29 H GLU 29 -10.549 15.225 -8.425 218 HA GLU 29 HA GLU 29 -9.842 12.816 -6.843 219 HB2 GLU 29 HB2 GLU 29 -7.958 14.408 -8.592 220 HB3 GLU 29 HB3 GLU 29 -7.638 12.932 -7.697 221 HG2 GLU 29 HG2 GLU 29 -8.044 11.797 -9.556 222 HG3 GLU 29 HG3 GLU 29 -9.748 12.114 -9.304 223 H GLU 30 H GLU 30 -8.418 13.104 -5.145 224 HA GLU 30 HA GLU 30 -7.937 15.867 -4.063 225 HB2 GLU 30 HB2 GLU 30 -9.156 13.484 -2.604 226 HB3 GLU 30 HB3 GLU 30 -8.688 14.989 -1.830 227 HG2 GLU 30 HG2 GLU 30 -10.806 14.907 -4.024 228 HG3 GLU 30 HG3 GLU 30 -11.153 14.530 -2.353 229 H GLN 31 H GLN 31 -5.913 16.060 -3.037 230 HA GLN 31 HA GLN 31 -4.523 13.508 -2.284 231 HB2 GLN 31 HB2 GLN 31 -3.168 16.173 -2.756 232 HB3 GLN 31 HB3 GLN 31 -2.414 14.588 -2.449 233 HG2 GLN 31 HG2 GLN 31 -3.574 13.766 -4.563 234 HG3 GLN 31 HG3 GLN 31 -3.788 15.489 -4.983 235 HE21 GLN 31 HE22 GLN 31 -1.789 12.810 -4.763 236 HE22 GLN 31 HE21 GLN 31 -0.436 13.656 -4.205 237 H VAL 32 H VAL 32 -4.147 13.113 -0.193 238 HA VAL 32 HA VAL 32 -4.837 15.205 1.842 239 HB VAL 32 HB VAL 32 -6.254 13.648 2.998 240 HG11 VAL 32 HG11 VAL 32 -8.154 13.527 1.528 241 HG12 VAL 32 HG12 VAL 32 -7.280 15.034 1.193 242 HG13 VAL 32 HG13 VAL 32 -7.134 13.646 0.089 243 HG21 VAL 32 HG21 VAL 32 -5.196 11.488 2.412 244 HG22 VAL 32 HG22 VAL 32 -6.933 11.484 2.094 245 HG23 VAL 32 HG23 VAL 32 -5.798 11.648 0.744 246 H ASP 33 H ASP 33 -4.341 14.579 4.038 247 HA ASP 33 HA ASP 33 -1.755 13.227 4.388 248 HB2 ASP 33 HB2 ASP 33 -1.896 15.040 5.812 249 HB3 ASP 33 HB3 ASP 33 -3.615 14.868 6.083 250 H VAL 34 H VAL 34 -1.371 11.359 5.589 251 HA VAL 34 HA VAL 34 -3.171 9.258 5.015 252 HB VAL 34 HB VAL 34 -0.686 9.149 5.151 253 HG11 VAL 34 HG11 VAL 34 -1.155 8.785 8.140 254 HG12 VAL 34 HG12 VAL 34 0.364 8.510 7.287 255 HG13 VAL 34 HG13 VAL 34 -0.321 10.143 7.361 256 HG21 VAL 34 HG21 VAL 34 -2.076 7.128 4.844 257 HG22 VAL 34 HG22 VAL 34 -0.543 6.828 5.678 258 HG23 VAL 34 HG23 VAL 34 -2.049 6.865 6.600 259 H GLU 35 H GLU 35 -3.445 11.300 7.776 260 HA GLU 35 HA GLU 35 -5.124 9.278 9.174 261 HB2 GLU 35 HB2 GLU 35 -3.385 10.942 10.253 262 HB3 GLU 35 HB3 GLU 35 -4.719 12.094 10.149 263 HG2 GLU 35 HG2 GLU 35 -6.159 10.532 11.443 264 HG3 GLU 35 HG3 GLU 35 -4.840 9.353 11.496 265 H LEU 36 H LEU 36 -5.475 11.838 6.853 266 HA LEU 36 HA LEU 36 -8.278 12.424 7.537 267 HB2 LEU 36 HB2 LEU 36 -6.543 13.354 5.227 268 HB3 LEU 36 HB3 LEU 36 -8.134 13.985 5.646 269 HG LEU 36 HG LEU 36 -5.587 14.262 7.284 270 HD11 LEU 36 HD11 LEU 36 -7.310 16.333 5.867 271 HD12 LEU 36 HD12 LEU 36 -5.812 16.636 6.772 272 HD13 LEU 36 HD13 LEU 36 -5.759 15.708 5.268 273 HD21 LEU 36 HD21 LEU 36 -7.462 14.089 8.843 274 HD22 LEU 36 HD22 LEU 36 -6.907 15.761 8.747 275 HD23 LEU 36 HD23 LEU 36 -8.386 15.277 7.888 276 H VAL 37 H VAL 37 -6.802 9.947 5.837 277 HA VAL 37 HA VAL 37 -9.231 9.424 4.188 278 HB VAL 37 HB VAL 37 -7.167 9.348 2.949 279 HG11 VAL 37 HG11 VAL 37 -6.295 7.036 4.729 280 HG12 VAL 37 HG12 VAL 37 -5.467 7.626 3.278 281 HG13 VAL 37 HG13 VAL 37 -5.569 8.661 4.705 282 HG21 VAL 37 HG21 VAL 37 -9.040 7.851 2.307 283 HG22 VAL 37 HG22 VAL 37 -7.449 7.244 1.829 284 HG23 VAL 37 HG23 VAL 37 -8.275 6.534 3.225 285 H GLN 38 H GLN 38 -10.409 7.579 4.394 286 HA GLN 38 HA GLN 38 -10.078 5.904 6.849 287 HB2 GLN 38 HB2 GLN 38 -12.618 7.097 5.677 288 HB3 GLN 38 HB3 GLN 38 -12.618 5.721 6.769 289 HG2 GLN 38 HG2 GLN 38 -11.428 7.094 8.492 290 HG3 GLN 38 HG3 GLN 38 -11.588 8.504 7.430 291 HE21 GLN 38 HE22 GLN 38 -13.902 9.079 6.900 292 HE22 GLN 38 HE21 GLN 38 -15.123 8.546 8.064 293 H ARG 39 H ARG 39 -11.396 3.845 6.621 294 HA ARG 39 HA ARG 39 -10.719 2.513 4.078 295 HB2 ARG 39 HB2 ARG 39 -11.541 0.510 5.013 296 HB3 ARG 39 HB3 ARG 39 -10.589 1.322 6.260 297 HG2 ARG 39 HG2 ARG 39 -12.863 2.189 7.130 298 HG3 ARG 39 HG3 ARG 39 -13.612 1.009 6.056 299 HD2 ARG 39 HD2 ARG 39 -12.308 -0.810 7.207 300 HD3 ARG 39 HD3 ARG 39 -11.595 0.407 8.258 301 HE ARG 39 HE ARG 39 -13.532 0.490 9.525 302 HH11 ARG 39 HH11 ARG 39 -14.407 -1.317 6.588 303 HH12 ARG 39 HH12 ARG 39 -15.966 -1.715 7.325 304 HH21 ARG 39 HH21 ARG 39 -15.466 -0.069 10.226 305 HH22 ARG 39 HH22 ARG 39 -16.518 -1.106 9.229 306 H GLY 40 H GLY 40 -12.170 1.947 2.380 307 HA2 GLY 40 HA2 GLY 40 -14.437 1.449 1.686 308 HA3 GLY 40 HA3 GLY 40 -15.008 2.824 2.627 309 H ASP 41 H ASP 41 -12.197 3.997 1.327 310 HA ASP 41 HA ASP 41 -13.590 5.138 -1.054 311 HB2 ASP 41 HB2 ASP 41 -11.347 6.172 0.698 312 HB3 ASP 41 HB3 ASP 41 -11.691 6.836 -0.894 313 H ILE 42 H ILE 42 -12.208 5.747 -2.907 314 HA ILE 42 HA ILE 42 -10.514 3.405 -3.654 315 HB ILE 42 HB ILE 42 -12.738 4.802 -5.125 316 HG12 ILE 42 HG12 ILE 42 -11.983 1.880 -4.625 317 HG13 ILE 42 HG13 ILE 42 -13.121 2.796 -3.643 318 HG21 ILE 42 HG21 ILE 42 -10.549 3.089 -6.371 319 HG22 ILE 42 HG22 ILE 42 -12.067 3.566 -7.182 320 HG23 ILE 42 HG23 ILE 42 -10.903 4.798 -6.743 321 HD11 ILE 42 HD11 ILE 42 -13.505 1.969 -6.540 322 HD12 ILE 42 HD12 ILE 42 -14.345 1.371 -5.106 323 HD13 ILE 42 HD13 ILE 42 -14.606 3.048 -5.638 324 H ILE 43 H ILE 43 -8.578 3.667 -4.277 325 HA ILE 43 HA ILE 43 -7.416 6.303 -4.847 326 HB ILE 43 HB ILE 43 -6.266 3.649 -3.899 327 HG12 ILE 43 HG12 ILE 43 -7.812 4.209 -2.238 328 HG13 ILE 43 HG13 ILE 43 -6.199 4.515 -1.627 329 HG21 ILE 43 HG21 ILE 43 -4.557 5.156 -4.847 330 HG22 ILE 43 HG22 ILE 43 -4.989 6.384 -3.645 331 HG23 ILE 43 HG23 ILE 43 -4.325 4.837 -3.126 332 HD11 ILE 43 HD11 ILE 43 -8.192 6.637 -2.523 333 HD12 ILE 43 HD12 ILE 43 -7.810 6.204 -0.861 334 HD13 ILE 43 HD13 ILE 43 -6.561 6.959 -1.878 335 H LYS 44 H LYS 44 -6.986 6.605 -7.023 336 HA LYS 44 HA LYS 44 -6.078 4.324 -8.660 337 HB2 LYS 44 HB2 LYS 44 -7.719 6.219 -9.412 338 HB3 LYS 44 HB3 LYS 44 -6.229 7.108 -9.792 339 HG2 LYS 44 HG2 LYS 44 -5.451 5.197 -11.187 340 HG3 LYS 44 HG3 LYS 44 -6.860 4.262 -10.683 341 HD2 LYS 44 HD2 LYS 44 -8.223 6.281 -11.767 342 HD3 LYS 44 HD3 LYS 44 -6.699 6.519 -12.662 343 HE2 LYS 44 HE2 LYS 44 -6.784 3.976 -13.124 344 HE3 LYS 44 HE3 LYS 44 -8.385 3.987 -12.428 345 HZ1 LYS 44 HZ1 LYS 44 -7.568 5.534 -14.838 346 HZ2 LYS 44 HZ2 LYS 44 -8.483 4.182 -14.850 347 HZ3 LYS 44 HZ3 LYS 44 -9.067 5.568 -14.163 348 H VAL 45 H VAL 45 -4.092 3.715 -8.835 349 HA VAL 45 HA VAL 45 -1.969 5.423 -7.685 350 HB VAL 45 HB VAL 45 -2.490 3.083 -6.887 351 HG11 VAL 45 HG11 VAL 45 -0.915 2.242 -9.359 352 HG12 VAL 45 HG12 VAL 45 -1.502 1.195 -8.054 353 HG13 VAL 45 HG13 VAL 45 -2.653 2.025 -9.126 354 HG21 VAL 45 HG21 VAL 45 -0.158 2.499 -6.434 355 HG22 VAL 45 HG22 VAL 45 0.400 3.606 -7.686 356 HG23 VAL 45 HG23 VAL 45 -0.412 4.243 -6.240 357 H VAL 46 H VAL 46 -0.097 6.035 -8.680 358 HA VAL 46 HA VAL 46 0.204 5.636 -11.590 359 HB VAL 46 HB VAL 46 2.131 7.178 -11.342 360 HG11 VAL 46 HG11 VAL 46 0.860 9.177 -10.866 361 HG12 VAL 46 HG12 VAL 46 -0.141 8.047 -11.787 362 HG13 VAL 46 HG13 VAL 46 -0.403 8.245 -10.038 363 HG21 VAL 46 HG21 VAL 46 2.645 8.291 -9.301 364 HG22 VAL 46 HG22 VAL 46 1.351 7.461 -8.421 365 HG23 VAL 46 HG23 VAL 46 2.767 6.561 -9.000 366 HA PRO 47 HA PRO 47 3.487 2.539 -11.433 367 HB2 PRO 47 HB2 PRO 47 5.381 3.642 -13.146 368 HB3 PRO 47 HB3 PRO 47 3.943 2.718 -13.674 369 HG2 PRO 47 HG2 PRO 47 4.270 5.729 -13.457 370 HG3 PRO 47 HG3 PRO 47 3.590 4.785 -14.823 371 HD2 PRO 47 HD2 PRO 47 1.950 5.942 -13.064 372 HD3 PRO 47 HD3 PRO 47 1.612 4.276 -13.593 373 H GLY 48 H GLY 48 5.439 2.237 -10.286 374 HA2 GLY 48 HA2 GLY 48 7.089 2.666 -8.787 375 HA3 GLY 48 HA3 GLY 48 7.111 4.344 -9.284 376 H GLY 49 H GLY 49 3.919 3.720 -8.345 377 HA2 GLY 49 HA2 GLY 49 4.039 5.044 -5.814 378 HA3 GLY 49 HA3 GLY 49 2.671 4.124 -6.445 379 H LYS 50 H LYS 50 3.790 4.288 -3.741 380 HA LYS 50 HA LYS 50 4.784 1.518 -3.224 381 HB2 LYS 50 HB2 LYS 50 5.314 4.022 -1.595 382 HB3 LYS 50 HB3 LYS 50 6.061 2.431 -1.402 383 HG2 LYS 50 HG2 LYS 50 7.024 2.710 -3.740 384 HG3 LYS 50 HG3 LYS 50 6.425 4.371 -3.727 385 HD2 LYS 50 HD2 LYS 50 7.713 4.807 -1.637 386 HD3 LYS 50 HD3 LYS 50 8.389 3.167 -1.732 387 HE2 LYS 50 HE2 LYS 50 9.397 3.689 -3.929 388 HE3 LYS 50 HE3 LYS 50 8.649 5.290 -3.905 389 HZ1 LYS 50 HZ1 LYS 50 9.933 5.801 -1.918 390 HZ2 LYS 50 HZ2 LYS 50 10.706 4.332 -1.992 391 HZ3 LYS 50 HZ3 LYS 50 10.914 5.453 -3.173 392 H PHE 51 H PHE 51 1.944 2.849 -2.982 393 HA PHE 51 HA PHE 51 0.078 2.678 -1.839 394 HB2 PHE 51 HB2 PHE 51 1.234 0.040 -0.982 395 HB3 PHE 51 HB3 PHE 51 -0.451 0.506 -0.783 396 HD1 PHE 51 HD2 PHE 51 -1.657 1.410 -3.003 397 HD2 PHE 51 HD1 PHE 51 1.815 -1.134 -2.940 398 HE1 PHE 51 HE2 PHE 51 -2.123 0.704 -5.332 399 HE2 PHE 51 HE1 PHE 51 1.344 -1.851 -5.257 400 HZ PHE 51 HZ PHE 51 -0.633 -0.931 -6.470 401 HA PRO 52 HA PRO 52 1.000 4.348 2.228 402 HB2 PRO 52 HB2 PRO 52 -1.134 6.003 2.554 403 HB3 PRO 52 HB3 PRO 52 0.159 6.321 1.359 404 HG2 PRO 52 HG2 PRO 52 -2.530 5.028 0.854 405 HG3 PRO 52 HG3 PRO 52 -1.754 6.368 -0.047 406 HD2 PRO 52 HD2 PRO 52 -1.599 3.760 -0.863 407 HD3 PRO 52 HD3 PRO 52 -0.257 4.919 -1.115 408 H VAL 53 H VAL 53 -1.500 2.154 1.562 409 HA VAL 53 HA VAL 53 -1.979 1.341 4.265 410 HB VAL 53 HB VAL 53 -4.486 1.453 4.096 411 HG11 VAL 53 HG11 VAL 53 -3.211 4.196 4.327 412 HG12 VAL 53 HG12 VAL 53 -4.727 3.626 5.051 413 HG13 VAL 53 HG13 VAL 53 -3.183 2.950 5.594 414 HG21 VAL 53 HG21 VAL 53 -5.526 3.162 2.725 415 HG22 VAL 53 HG22 VAL 53 -3.959 3.630 2.044 416 HG23 VAL 53 HG23 VAL 53 -4.641 2.025 1.682 417 H ASP 54 H ASP 54 -3.733 -0.595 4.087 418 HA ASP 54 HA ASP 54 -3.031 -2.087 1.620 419 HB2 ASP 54 HB2 ASP 54 -3.397 -4.099 2.687 420 HB3 ASP 54 HB3 ASP 54 -2.406 -3.115 3.747 421 H GLY 55 H GLY 55 -4.518 -3.218 0.383 422 HA2 GLY 55 HA2 GLY 55 -7.372 -2.676 0.554 423 HA3 GLY 55 HA3 GLY 55 -6.537 -1.575 -0.538 424 H ARG 56 H ARG 56 -8.438 -2.902 -1.577 425 HA ARG 56 HA ARG 56 -7.348 -5.319 -2.975 426 HB2 ARG 56 HB2 ARG 56 -9.298 -5.529 -1.370 427 HB3 ARG 56 HB3 ARG 56 -10.287 -4.673 -2.556 428 HG2 ARG 56 HG2 ARG 56 -10.013 -6.418 -4.183 429 HG3 ARG 56 HG3 ARG 56 -8.665 -7.144 -3.307 430 HD2 ARG 56 HD2 ARG 56 -11.540 -7.108 -2.327 431 HD3 ARG 56 HD3 ARG 56 -10.694 -8.456 -3.112 432 HE ARG 56 HE ARG 56 -9.268 -7.529 -0.755 433 HH11 ARG 56 HH11 ARG 56 -11.818 -9.754 -1.753 434 HH12 ARG 56 HH12 ARG 56 -11.631 -10.688 -0.282 435 HH21 ARG 56 HH21 ARG 56 -9.113 -8.699 0.966 436 HH22 ARG 56 HH22 ARG 56 -10.097 -10.136 1.219 437 H VAL 57 H VAL 57 -7.423 -5.526 -5.156 438 HA VAL 57 HA VAL 57 -7.434 -2.946 -6.633 439 HB VAL 57 HB VAL 57 -6.217 -5.645 -7.351 440 HG11 VAL 57 HG11 VAL 57 -5.760 -2.869 -8.518 441 HG12 VAL 57 HG12 VAL 57 -4.916 -4.371 -8.988 442 HG13 VAL 57 HG13 VAL 57 -6.633 -4.200 -9.309 443 HG21 VAL 57 HG21 VAL 57 -5.049 -4.819 -5.369 444 HG22 VAL 57 HG22 VAL 57 -4.022 -4.649 -6.792 445 HG23 VAL 57 HG23 VAL 57 -4.841 -3.226 -6.121 446 H ILE 58 H ILE 58 -8.982 -2.598 -8.170 447 HA ILE 58 HA ILE 58 -10.492 -4.917 -9.324 448 HB ILE 58 HB ILE 58 -12.629 -3.583 -8.788 449 HG12 ILE 58 HG12 ILE 58 -10.840 -2.405 -6.621 450 HG13 ILE 58 HG13 ILE 58 -11.313 -1.502 -8.074 451 HG21 ILE 58 HG21 ILE 58 -11.183 -4.792 -6.408 452 HG22 ILE 58 HG22 ILE 58 -12.930 -4.702 -6.699 453 HG23 ILE 58 HG23 ILE 58 -11.925 -5.736 -7.715 454 HD11 ILE 58 HD11 ILE 58 -12.755 -0.847 -6.260 455 HD12 ILE 58 HD12 ILE 58 -13.714 -1.770 -7.434 456 HD13 ILE 58 HD13 ILE 58 -13.191 -2.530 -5.910 457 H GLU 59 H GLU 59 -8.554 -2.923 -10.477 458 HA GLU 59 HA GLU 59 -9.817 -2.933 -13.053 459 HB2 GLU 59 HB2 GLU 59 -10.449 -0.632 -11.680 460 HB3 GLU 59 HB3 GLU 59 -8.948 -0.136 -12.407 461 HG2 GLU 59 HG2 GLU 59 -11.357 -1.256 -13.902 462 HG3 GLU 59 HG3 GLU 59 -11.010 0.456 -13.685 463 H GLY 60 H GLY 60 -8.146 -3.051 -14.619 464 HA2 GLY 60 HA2 GLY 60 -6.194 -2.262 -15.666 465 HA3 GLY 60 HA3 GLY 60 -5.622 -1.599 -14.153 466 H HIS 61 H HIS 61 -3.638 -2.569 -15.208 467 HA HIS 61 HA HIS 61 -3.116 -5.192 -13.914 468 HB2 HIS 61 HB2 HIS 61 -2.070 -6.164 -15.829 469 HB3 HIS 61 HB3 HIS 61 -3.714 -5.712 -16.244 470 HD1 HIS 61 HD1 HIS 61 -3.854 -3.299 -17.782 471 HD2 HIS 61 HD2 HIS 61 -0.213 -5.392 -17.480 472 HE1 HIS 61 HE1 HIS 61 -2.369 -2.434 -19.667 473 H SER 62 H SER 62 -1.334 -5.137 -12.709 474 HA SER 62 HA SER 62 1.067 -3.871 -13.720 475 HB2 SER 62 HB2 SER 62 -0.289 -2.700 -11.286 476 HB3 SER 62 HB3 SER 62 1.461 -2.737 -11.373 477 HG SER 62 HG SER 62 -0.214 -1.830 -13.494 478 H MET 63 H MET 63 3.043 -4.566 -12.752 479 HA MET 63 HA MET 63 2.765 -6.896 -10.936 480 HB2 MET 63 HB2 MET 63 3.981 -7.321 -12.987 481 HB3 MET 63 HB3 MET 63 5.096 -5.986 -12.652 482 HG2 MET 63 HG2 MET 63 6.043 -7.084 -10.793 483 HG3 MET 63 HG3 MET 63 4.715 -8.239 -10.655 484 HE1 MET 63 HE1 MET 63 4.143 -9.732 -13.083 485 HE2 MET 63 HE2 MET 63 5.407 -10.983 -13.156 486 HE3 MET 63 HE3 MET 63 4.684 -10.545 -11.594 487 H VAL 64 H VAL 64 3.520 -6.821 -8.935 488 HA VAL 64 HA VAL 64 4.616 -4.250 -7.865 489 HB VAL 64 HB VAL 64 2.436 -6.049 -6.748 490 HG11 VAL 64 HG11 VAL 64 3.763 -5.206 -4.893 491 HG12 VAL 64 HG12 VAL 64 3.688 -3.548 -5.536 492 HG13 VAL 64 HG13 VAL 64 2.222 -4.356 -4.942 493 HG21 VAL 64 HG21 VAL 64 2.381 -3.160 -7.730 494 HG22 VAL 64 HG22 VAL 64 1.619 -4.551 -8.528 495 HG23 VAL 64 HG23 VAL 64 1.034 -3.999 -6.953 496 H ASP 65 H ASP 65 6.271 -4.334 -6.554 497 HA ASP 65 HA ASP 65 7.520 -6.928 -5.840 498 HB2 ASP 65 HB2 ASP 65 8.903 -5.210 -6.871 499 HB3 ASP 65 HB3 ASP 65 8.475 -4.058 -5.604 500 H GLU 66 H GLU 66 7.149 -7.882 -3.970 501 HA GLU 66 HA GLU 66 6.287 -6.315 -1.557 502 HB2 GLU 66 HB2 GLU 66 5.759 -9.228 -2.201 503 HB3 GLU 66 HB3 GLU 66 5.113 -8.287 -0.840 504 HG2 GLU 66 HG2 GLU 66 3.784 -6.934 -2.436 505 HG3 GLU 66 HG3 GLU 66 4.339 -7.976 -3.755 506 H SER 67 H SER 67 9.136 -7.302 -2.539 507 HA SER 67 HA SER 67 9.958 -9.498 -1.098 508 HB2 SER 67 HB2 SER 67 12.199 -8.849 -1.769 509 HB3 SER 67 HB3 SER 67 11.034 -8.519 -3.061 510 HG SER 67 HG SER 67 12.295 -6.711 -2.855 511 H LEU 68 H LEU 68 9.173 -6.786 0.625 512 HA LEU 68 HA LEU 68 10.981 -7.618 2.855 513 HB2 LEU 68 HB2 LEU 68 11.375 -5.280 1.909 514 HB3 LEU 68 HB3 LEU 68 9.771 -4.852 2.462 515 HG LEU 68 HG LEU 68 11.524 -4.027 3.911 516 HD11 LEU 68 HD11 LEU 68 10.173 -6.173 5.556 517 HD12 LEU 68 HD12 LEU 68 10.684 -4.557 6.031 518 HD13 LEU 68 HD13 LEU 68 9.302 -4.751 4.937 519 HD21 LEU 68 HD21 LEU 68 13.238 -5.738 3.580 520 HD22 LEU 68 HD22 LEU 68 12.935 -5.441 5.297 521 HD23 LEU 68 HD23 LEU 68 12.285 -6.897 4.534 522 H ILE 69 H ILE 69 7.767 -6.543 1.830 523 HA ILE 69 HA ILE 69 6.516 -6.917 4.419 524 HB ILE 69 HB ILE 69 5.157 -6.794 1.705 525 HG12 ILE 69 HG12 ILE 69 6.508 -4.757 2.045 526 HG13 ILE 69 HG13 ILE 69 4.789 -4.435 2.063 527 HG21 ILE 69 HG21 ILE 69 4.145 -6.532 4.568 528 HG22 ILE 69 HG22 ILE 69 3.237 -5.925 3.181 529 HG23 ILE 69 HG23 ILE 69 3.598 -7.653 3.307 530 HD11 ILE 69 HD11 ILE 69 6.563 -4.598 4.539 531 HD12 ILE 69 HD12 ILE 69 5.946 -3.123 3.766 532 HD13 ILE 69 HD13 ILE 69 4.814 -4.246 4.529 533 H THR 70 H THR 70 6.291 -8.975 1.434 534 HA THR 70 HA THR 70 5.543 -11.280 3.182 535 HB THR 70 HB THR 70 4.887 -12.386 1.066 536 HG1 THR 70 HG1 THR 70 4.590 -10.614 -0.645 537 HG21 THR 70 HG21 THR 70 2.875 -11.121 0.666 538 HG22 THR 70 HG22 THR 70 3.228 -11.062 2.403 539 HG23 THR 70 HG23 THR 70 3.581 -9.651 1.374 540 H GLY 71 H GLY 71 8.299 -10.052 1.547 541 HA2 GLY 71 HA2 GLY 71 10.451 -10.795 1.923 542 HA3 GLY 71 HA3 GLY 71 9.833 -12.321 2.548 543 H GLU 72 H GLU 72 8.371 -11.954 -0.368 544 HA GLU 72 HA GLU 72 10.190 -13.808 -1.719 545 HB2 GLU 72 HB2 GLU 72 8.344 -13.599 -3.535 546 HB3 GLU 72 HB3 GLU 72 8.137 -14.568 -2.082 547 HG2 GLU 72 HG2 GLU 72 6.811 -12.693 -1.072 548 HG3 GLU 72 HG3 GLU 72 6.849 -11.858 -2.639 549 H ALA 73 H ALA 73 11.735 -13.362 -3.140 550 HA ALA 73 HA ALA 73 12.254 -10.553 -3.802 551 HB1 ALA 73 HB1 ALA 73 13.972 -12.025 -2.788 552 HB2 ALA 73 HB2 ALA 73 13.940 -13.047 -4.246 553 HB3 ALA 73 HB3 ALA 73 14.479 -11.354 -4.344 554 H MET 74 H MET 74 10.203 -12.310 -5.154 555 HA MET 74 HA MET 74 10.864 -11.908 -8.047 556 HB2 MET 74 HB2 MET 74 9.522 -14.215 -6.601 557 HB3 MET 74 HB3 MET 74 9.382 -13.954 -8.342 558 HG2 MET 74 HG2 MET 74 11.723 -14.275 -8.691 559 HG3 MET 74 HG3 MET 74 12.077 -14.156 -6.971 560 HE1 MET 74 HE1 MET 74 9.887 -17.825 -8.812 561 HE2 MET 74 HE2 MET 74 9.007 -16.339 -8.400 562 HE3 MET 74 HE3 MET 74 10.219 -16.321 -9.698 563 HA PRO 75 HA PRO 75 7.403 -9.210 -7.029 564 HB2 PRO 75 HB2 PRO 75 7.726 -8.597 -9.969 565 HB3 PRO 75 HB3 PRO 75 7.333 -7.469 -8.626 566 HG2 PRO 75 HG2 PRO 75 9.877 -7.636 -9.468 567 HG3 PRO 75 HG3 PRO 75 9.561 -7.740 -7.704 568 HD2 PRO 75 HD2 PRO 75 10.010 -10.016 -9.666 569 HD3 PRO 75 HD3 PRO 75 10.756 -9.746 -8.061 570 H VAL 76 H VAL 76 5.232 -8.938 -7.414 571 HA VAL 76 HA VAL 76 3.919 -11.438 -8.343 572 HB VAL 76 HB VAL 76 3.013 -9.488 -6.200 573 HG11 VAL 76 HG11 VAL 76 1.663 -11.419 -5.441 574 HG12 VAL 76 HG12 VAL 76 1.213 -10.940 -7.088 575 HG13 VAL 76 HG13 VAL 76 2.236 -12.372 -6.816 576 HG21 VAL 76 HG21 VAL 76 5.153 -10.446 -5.452 577 HG22 VAL 76 HG22 VAL 76 3.826 -11.160 -4.553 578 HG23 VAL 76 HG23 VAL 76 4.591 -12.079 -5.869 579 H ALA 77 H ALA 77 2.398 -11.395 -9.859 580 HA ALA 77 HA ALA 77 1.741 -8.868 -11.167 581 HB1 ALA 77 HB1 ALA 77 2.220 -10.876 -12.468 582 HB2 ALA 77 HB2 ALA 77 0.867 -11.728 -11.711 583 HB3 ALA 77 HB3 ALA 77 0.565 -10.326 -12.759 584 H LYS 78 H LYS 78 0.010 -7.614 -10.904 585 HA LYS 78 HA LYS 78 -2.351 -8.556 -9.319 586 HB2 LYS 78 HB2 LYS 78 -1.239 -5.732 -9.452 587 HB3 LYS 78 HB3 LYS 78 -2.508 -6.321 -8.392 588 HG2 LYS 78 HG2 LYS 78 0.431 -7.151 -8.242 589 HG3 LYS 78 HG3 LYS 78 -0.319 -5.871 -7.311 590 HD2 LYS 78 HD2 LYS 78 -1.816 -7.495 -6.203 591 HD3 LYS 78 HD3 LYS 78 -1.147 -8.813 -7.188 592 HE2 LYS 78 HE2 LYS 78 1.059 -8.529 -6.185 593 HE3 LYS 78 HE3 LYS 78 0.526 -7.084 -5.322 594 HZ1 LYS 78 HZ1 LYS 78 -0.498 -9.830 -4.782 595 HZ2 LYS 78 HZ2 LYS 78 0.520 -8.948 -3.832 596 HZ3 LYS 78 HZ3 LYS 78 -1.035 -8.472 -4.077 597 H LYS 79 H LYS 79 -4.363 -7.880 -9.962 598 HA LYS 79 HA LYS 79 -4.919 -6.340 -12.388 599 HB2 LYS 79 HB2 LYS 79 -4.767 -9.340 -12.221 600 HB3 LYS 79 HB3 LYS 79 -6.223 -8.729 -12.964 601 HG2 LYS 79 HG2 LYS 79 -4.967 -7.515 -14.662 602 HG3 LYS 79 HG3 LYS 79 -3.442 -7.850 -13.850 603 HD2 LYS 79 HD2 LYS 79 -3.618 -9.310 -15.740 604 HD3 LYS 79 HD3 LYS 79 -3.710 -10.265 -14.254 605 HE2 LYS 79 HE2 LYS 79 -6.219 -10.274 -14.474 606 HE3 LYS 79 HE3 LYS 79 -6.055 -9.389 -16.002 607 HZ1 LYS 79 HZ1 LYS 79 -4.809 -11.268 -16.883 608 HZ2 LYS 79 HZ2 LYS 79 -4.936 -12.085 -15.459 609 HZ3 LYS 79 HZ3 LYS 79 -6.283 -11.768 -16.356 610 HA PRO 80 HA PRO 80 -8.925 -6.002 -10.282 611 HB2 PRO 80 HB2 PRO 80 -10.783 -7.356 -11.962 612 HB3 PRO 80 HB3 PRO 80 -10.352 -5.619 -12.000 613 HG2 PRO 80 HG2 PRO 80 -9.249 -7.892 -13.657 614 HG3 PRO 80 HG3 PRO 80 -9.653 -6.216 -14.166 615 HD2 PRO 80 HD2 PRO 80 -7.112 -6.897 -13.745 616 HD3 PRO 80 HD3 PRO 80 -7.736 -5.343 -13.131 617 H GLY 81 H GLY 81 -9.687 -7.068 -8.584 618 HA2 GLY 81 HA2 GLY 81 -10.275 -8.767 -7.133 619 HA3 GLY 81 HA3 GLY 81 -10.063 -9.975 -8.399 620 H SER 82 H SER 82 -7.521 -7.604 -7.394 621 HA SER 82 HA SER 82 -5.902 -9.883 -6.274 622 HB2 SER 82 HB2 SER 82 -4.838 -7.420 -7.684 623 HB3 SER 82 HB3 SER 82 -3.885 -8.692 -6.922 624 HG SER 82 HG SER 82 -5.062 -10.152 -8.478 625 H THR 83 H THR 83 -4.200 -8.980 -4.558 626 HA THR 83 HA THR 83 -5.435 -6.687 -3.072 627 HB THR 83 HB THR 83 -5.025 -7.776 -0.996 628 HG1 THR 83 HG1 THR 83 -4.494 -10.251 -2.118 629 HG21 THR 83 HG21 THR 83 -6.588 -9.582 -2.887 630 HG22 THR 83 HG22 THR 83 -6.630 -9.688 -1.131 631 HG23 THR 83 HG23 THR 83 -7.207 -8.226 -1.939 632 H VAL 84 H VAL 84 -4.087 -5.323 -1.921 633 HA VAL 84 HA VAL 84 -1.145 -5.725 -2.213 634 HB VAL 84 HB VAL 84 -0.879 -3.299 -2.697 635 HG11 VAL 84 HG11 VAL 84 -2.371 -4.874 -4.827 636 HG12 VAL 84 HG12 VAL 84 -1.297 -3.486 -5.092 637 HG13 VAL 84 HG13 VAL 84 -0.639 -5.000 -4.450 638 HG21 VAL 84 HG21 VAL 84 -3.133 -2.486 -2.030 639 HG22 VAL 84 HG22 VAL 84 -2.700 -2.019 -3.679 640 HG23 VAL 84 HG23 VAL 84 -3.844 -3.350 -3.411 641 H ILE 85 H ILE 85 0.154 -4.724 -0.755 642 HA ILE 85 HA ILE 85 -1.093 -3.700 1.741 643 HB ILE 85 HB ILE 85 1.226 -4.739 2.706 644 HG12 ILE 85 HG12 ILE 85 1.407 -7.103 2.072 645 HG13 ILE 85 HG13 ILE 85 0.236 -6.898 0.783 646 HG21 ILE 85 HG21 ILE 85 -1.472 -6.126 2.539 647 HG22 ILE 85 HG22 ILE 85 -0.176 -6.499 3.701 648 HG23 ILE 85 HG23 ILE 85 -0.945 -4.922 3.741 649 HD11 ILE 85 HD11 ILE 85 2.891 -5.404 0.865 650 HD12 ILE 85 HD12 ILE 85 2.672 -6.983 0.082 651 HD13 ILE 85 HD13 ILE 85 1.786 -5.577 -0.516 652 H ALA 86 H ALA 86 0.065 -2.193 2.932 653 HA ALA 86 HA ALA 86 1.261 -0.191 1.348 654 HB1 ALA 86 HB1 ALA 86 0.021 0.256 3.417 655 HB2 ALA 86 HB2 ALA 86 1.263 -0.587 4.373 656 HB3 ALA 86 HB3 ALA 86 1.651 0.930 3.537 657 H GLY 87 H GLY 87 3.362 0.373 0.869 658 HA2 GLY 87 HA2 GLY 87 5.722 0.354 1.057 659 HA3 GLY 87 HA3 GLY 87 5.637 -0.966 2.226 660 H SER 88 H SER 88 3.656 -1.817 -0.367 661 HA SER 88 HA SER 88 5.834 -3.302 -1.742 662 HB2 SER 88 HB2 SER 88 4.143 -4.528 -2.905 663 HB3 SER 88 HB3 SER 88 3.929 -4.633 -1.166 664 HG SER 88 HG SER 88 2.218 -3.154 -1.307 665 H ILE 89 H ILE 89 6.389 -2.968 -3.889 666 HA ILE 89 HA ILE 89 5.781 -0.175 -4.755 667 HB ILE 89 HB ILE 89 8.196 -1.735 -5.637 668 HG12 ILE 89 HG12 ILE 89 8.312 -1.925 -3.221 669 HG13 ILE 89 HG13 ILE 89 9.554 -0.882 -3.867 670 HG21 ILE 89 HG21 ILE 89 9.126 0.611 -5.767 671 HG22 ILE 89 HG22 ILE 89 7.777 0.296 -6.864 672 HG23 ILE 89 HG23 ILE 89 7.507 1.220 -5.379 673 HD11 ILE 89 HD11 ILE 89 8.462 1.099 -3.054 674 HD12 ILE 89 HD12 ILE 89 7.006 0.185 -2.577 675 HD13 ILE 89 HD13 ILE 89 8.544 -0.068 -1.731 676 H ASN 90 H ASN 90 4.630 0.214 -6.525 677 HA ASN 90 HA ASN 90 3.979 -1.860 -8.472 678 HB2 ASN 90 HB2 ASN 90 2.353 -0.114 -7.747 679 HB3 ASN 90 HB3 ASN 90 3.429 1.138 -8.348 680 HD21 ASN 90 HD22 ASN 90 1.172 1.553 -9.374 681 HD22 ASN 90 HD21 ASN 90 1.029 0.928 -11.002 682 H GLN 91 H GLN 91 4.954 -2.318 -10.364 683 HA GLN 91 HA GLN 91 7.352 -0.711 -11.105 684 HB2 GLN 91 HB2 GLN 91 6.530 -3.513 -11.980 685 HB3 GLN 91 HB3 GLN 91 8.110 -2.768 -12.197 686 HG2 GLN 91 HG2 GLN 91 6.839 -3.423 -9.515 687 HG3 GLN 91 HG3 GLN 91 7.952 -4.480 -10.366 688 HE21 GLN 91 HE22 GLN 91 7.912 -2.412 -7.833 689 HE22 GLN 91 HE21 GLN 91 9.584 -1.836 -7.924 690 H ASN 92 H ASN 92 4.270 -1.804 -12.453 691 HA ASN 92 HA ASN 92 5.288 -1.268 -15.200 692 HB2 ASN 92 HB2 ASN 92 4.401 -3.537 -14.549 693 HB3 ASN 92 HB3 ASN 92 2.796 -2.799 -14.446 694 HD21 ASN 92 HD22 ASN 92 2.319 -4.516 -16.186 695 HD22 ASN 92 HD21 ASN 92 2.708 -4.014 -17.835 696 H GLY 93 H GLY 93 2.385 -0.304 -13.264 697 HA2 GLY 93 HA2 GLY 93 1.929 2.013 -14.988 698 HA3 GLY 93 HA3 GLY 93 1.022 0.626 -15.567 699 H SER 94 H SER 94 -1.003 1.335 -15.280 700 HA SER 94 HA SER 94 -1.815 2.753 -12.818 701 HB2 SER 94 HB2 SER 94 -2.355 3.540 -15.190 702 HB3 SER 94 HB3 SER 94 -3.511 2.198 -15.269 703 HG SER 94 HG SER 94 -4.560 4.047 -14.556 704 H LEU 95 H LEU 95 -3.726 2.182 -11.730 705 HA LEU 95 HA LEU 95 -5.092 -0.234 -11.902 706 HB2 LEU 95 HB2 LEU 95 -3.167 -0.067 -9.555 707 HB3 LEU 95 HB3 LEU 95 -4.593 -1.075 -9.533 708 HG LEU 95 HG LEU 95 -2.192 -1.419 -11.365 709 HD11 LEU 95 HD11 LEU 95 -1.635 -1.930 -9.065 710 HD12 LEU 95 HD12 LEU 95 -3.127 -2.866 -8.850 711 HD13 LEU 95 HD13 LEU 95 -1.855 -3.462 -9.929 712 HD21 LEU 95 HD21 LEU 95 -4.694 -3.118 -10.963 713 HD22 LEU 95 HD22 LEU 95 -4.209 -2.258 -12.420 714 HD23 LEU 95 HD23 LEU 95 -3.249 -3.636 -11.853 715 H LEU 96 H LEU 96 -6.885 -0.291 -10.500 716 HA LEU 96 HA LEU 96 -7.347 2.174 -8.855 717 HB2 LEU 96 HB2 LEU 96 -8.754 1.714 -11.002 718 HB3 LEU 96 HB3 LEU 96 -9.466 0.401 -10.054 719 HG LEU 96 HG LEU 96 -10.167 2.105 -8.345 720 HD11 LEU 96 HD11 LEU 96 -9.239 4.017 -10.544 721 HD12 LEU 96 HD12 LEU 96 -10.298 4.490 -9.202 722 HD13 LEU 96 HD13 LEU 96 -8.649 3.955 -8.863 723 HD21 LEU 96 HD21 LEU 96 -11.727 1.228 -10.027 724 HD22 LEU 96 HD22 LEU 96 -12.056 2.938 -9.720 725 HD23 LEU 96 HD23 LEU 96 -11.189 2.456 -11.194 726 H ILE 97 H ILE 97 -7.374 1.814 -6.706 727 HA ILE 97 HA ILE 97 -7.950 -0.937 -5.692 728 HB ILE 97 HB ILE 97 -5.970 1.071 -4.552 729 HG12 ILE 97 HG12 ILE 97 -4.298 -0.825 -5.415 730 HG13 ILE 97 HG13 ILE 97 -5.538 -1.077 -6.639 731 HG21 ILE 97 HG21 ILE 97 -6.286 -1.917 -4.047 732 HG22 ILE 97 HG22 ILE 97 -5.134 -0.821 -3.262 733 HG23 ILE 97 HG23 ILE 97 -6.855 -0.632 -2.956 734 HD11 ILE 97 HD11 ILE 97 -5.244 1.253 -7.416 735 HD12 ILE 97 HD12 ILE 97 -4.186 1.598 -6.038 736 HD13 ILE 97 HD13 ILE 97 -3.675 0.457 -7.298 737 H CYS 98 H CYS 98 -9.398 -1.140 -4.049 738 HA CYS 98 HA CYS 98 -10.505 1.326 -2.787 739 HB2 CYS 98 HB2 CYS 98 -12.160 -0.263 -3.636 740 HB3 CYS 98 HB3 CYS 98 -11.456 -1.557 -2.655 741 HG CYS 98 HG CYS 98 -12.534 1.382 -1.512 742 H ALA 99 H ALA 99 -9.779 1.983 -0.873 743 HA ALA 99 HA ALA 99 -7.751 0.427 0.599 744 HB1 ALA 99 HB1 ALA 99 -9.002 3.173 1.057 745 HB2 ALA 99 HB2 ALA 99 -7.679 2.474 2.009 746 HB3 ALA 99 HB3 ALA 99 -7.434 2.836 0.286 747 H THR 100 H THR 100 -8.268 -0.967 2.172 748 HA THR 100 HA THR 100 -11.081 -0.929 3.252 749 HB THR 100 HB THR 100 -10.359 -2.708 1.596 750 HG1 THR 100 HG1 THR 100 -11.264 -4.407 2.942 751 HG21 THR 100 HG21 THR 100 -8.084 -3.101 2.799 752 HG22 THR 100 HG22 THR 100 -9.032 -4.066 3.948 753 HG23 THR 100 HG23 THR 100 -8.994 -4.501 2.226 754 H HIS 101 H HIS 101 -8.036 -0.273 4.303 755 HA HIS 101 HA HIS 101 -8.861 -0.475 7.128 756 HB2 HIS 101 HB2 HIS 101 -6.309 -1.568 5.864 757 HB3 HIS 101 HB3 HIS 101 -6.460 -1.234 7.577 758 HD1 HIS 101 HD1 HIS 101 -6.832 -4.049 5.321 759 HD2 HIS 101 HD2 HIS 101 -8.825 -2.560 8.721 760 HE1 HIS 101 HE1 HIS 101 -8.174 -6.006 6.291 761 H VAL 102 H VAL 102 -7.919 1.141 8.435 762 HA VAL 102 HA VAL 102 -6.570 3.406 7.065 763 HB VAL 102 HB VAL 102 -6.607 4.478 9.339 764 HG11 VAL 102 HG11 VAL 102 -9.209 3.620 8.057 765 HG12 VAL 102 HG12 VAL 102 -9.013 4.997 9.176 766 HG13 VAL 102 HG13 VAL 102 -8.197 5.001 7.601 767 HG21 VAL 102 HG21 VAL 102 -6.884 2.344 10.685 768 HG22 VAL 102 HG22 VAL 102 -8.007 3.663 11.075 769 HG23 VAL 102 HG23 VAL 102 -8.564 2.305 10.096 770 H GLY 103 H GLY 103 -4.655 4.484 8.396 771 HA2 GLY 103 HA2 GLY 103 -2.457 2.733 7.816 772 HA3 GLY 103 HA3 GLY 103 -2.398 4.324 8.553 773 H ALA 104 H ALA 104 -4.027 3.663 10.901 774 HA ALA 104 HA ALA 104 -2.101 2.471 12.651 775 HB1 ALA 104 HB1 ALA 104 -3.754 4.142 13.341 776 HB2 ALA 104 HB2 ALA 104 -5.083 3.010 12.983 777 HB3 ALA 104 HB3 ALA 104 -3.944 2.667 14.303 778 H ASP 105 H ASP 105 -4.575 0.964 10.708 779 HA ASP 105 HA ASP 105 -4.646 -1.568 12.252 780 HB2 ASP 105 HB2 ASP 105 -6.636 -0.725 11.030 781 HB3 ASP 105 HB3 ASP 105 -5.745 -0.881 9.522 782 H THR 106 H THR 106 -2.445 -0.103 10.035 783 HA THR 106 HA THR 106 -2.061 -2.443 8.349 784 HB THR 106 HB THR 106 -0.225 -1.298 7.273 785 HG1 THR 106 HG1 THR 106 -0.680 0.802 9.105 786 HG21 THR 106 HG21 THR 106 -1.411 0.658 6.360 787 HG22 THR 106 HG22 THR 106 -2.428 -0.796 6.419 788 HG23 THR 106 HG23 THR 106 -2.654 0.485 7.619 789 H THR 107 H THR 107 -0.413 -3.892 8.292 790 HA THR 107 HA THR 107 0.445 -4.615 10.907 791 HB THR 107 HB THR 107 -0.195 -6.115 8.976 792 HG1 THR 107 HG1 THR 107 0.473 -6.893 10.869 793 HG21 THR 107 HG21 THR 107 1.588 -7.064 7.624 794 HG22 THR 107 HG22 THR 107 1.405 -5.340 7.270 795 HG23 THR 107 HG23 THR 107 2.762 -5.908 8.280 796 H LEU 108 H LEU 108 2.068 -2.612 8.633 797 HA LEU 108 HA LEU 108 4.770 -3.186 9.139 798 HB2 LEU 108 HB2 LEU 108 3.348 -0.587 8.397 799 HB3 LEU 108 HB3 LEU 108 5.095 -0.722 8.506 800 HG LEU 108 HG LEU 108 5.091 -2.464 6.716 801 HD11 LEU 108 HD11 LEU 108 2.134 -1.764 6.502 802 HD12 LEU 108 HD12 LEU 108 3.074 -2.592 5.238 803 HD13 LEU 108 HD13 LEU 108 2.848 -3.382 6.782 804 HD21 LEU 108 HD21 LEU 108 5.478 -0.074 6.272 805 HD22 LEU 108 HD22 LEU 108 4.653 -0.856 4.914 806 HD23 LEU 108 HD23 LEU 108 3.727 0.168 6.036 807 H SER 109 H SER 109 2.757 -0.721 10.808 808 HA SER 109 HA SER 109 4.802 -0.155 12.806 809 HB2 SER 109 HB2 SER 109 3.090 1.258 13.851 810 HB3 SER 109 HB3 SER 109 3.319 1.605 12.131 811 HG SER 109 HG SER 109 1.244 1.432 12.120 812 H GLN 110 H GLN 110 2.427 -2.602 12.447 813 HA GLN 110 HA GLN 110 2.095 -3.223 15.265 814 HB2 GLN 110 HB2 GLN 110 0.452 -3.828 13.415 815 HB3 GLN 110 HB3 GLN 110 1.565 -5.078 12.925 816 HG2 GLN 110 HG2 GLN 110 0.011 -6.168 14.279 817 HG3 GLN 110 HG3 GLN 110 1.456 -6.041 15.272 818 HE21 GLN 110 HE22 GLN 110 -1.702 -4.489 14.549 819 HE22 GLN 110 HE21 GLN 110 -1.799 -3.649 16.087 820 H ILE 111 H ILE 111 4.109 -4.467 12.608 821 HA ILE 111 HA ILE 111 5.398 -6.598 13.940 822 HB ILE 111 HB ILE 111 6.234 -4.829 11.615 823 HG12 ILE 111 HG12 ILE 111 5.381 -7.755 11.576 824 HG13 ILE 111 HG13 ILE 111 4.198 -6.461 11.518 825 HG21 ILE 111 HG21 ILE 111 7.604 -7.392 12.552 826 HG22 ILE 111 HG22 ILE 111 7.938 -6.550 11.030 827 HG23 ILE 111 HG23 ILE 111 8.327 -5.764 12.544 828 HD11 ILE 111 HD11 ILE 111 6.388 -6.925 9.456 829 HD12 ILE 111 HD12 ILE 111 4.655 -7.218 9.271 830 HD13 ILE 111 HD13 ILE 111 5.249 -5.556 9.458 831 H VAL 112 H VAL 112 6.756 -3.282 13.463 832 HA VAL 112 HA VAL 112 9.080 -3.726 14.887 833 HB VAL 112 HB VAL 112 9.342 -1.290 15.021 834 HG11 VAL 112 HG11 VAL 112 9.282 -0.863 12.630 835 HG12 VAL 112 HG12 VAL 112 9.815 -2.527 12.916 836 HG13 VAL 112 HG13 VAL 112 8.155 -2.204 12.369 837 HG21 VAL 112 HG21 VAL 112 7.655 0.213 14.057 838 HG22 VAL 112 HG22 VAL 112 6.507 -1.130 13.911 839 HG23 VAL 112 HG23 VAL 112 7.031 -0.569 15.517 840 H LYS 113 H LYS 113 6.046 -3.359 16.388 841 HA LYS 113 HA LYS 113 7.000 -2.549 19.047 842 HB2 LYS 113 HB2 LYS 113 4.504 -4.002 18.121 843 HB3 LYS 113 HB3 LYS 113 4.765 -3.418 19.764 844 HG2 LYS 113 HG2 LYS 113 4.516 -1.158 19.160 845 HG3 LYS 113 HG3 LYS 113 4.898 -1.465 17.472 846 HD2 LYS 113 HD2 LYS 113 2.575 -1.018 17.559 847 HD3 LYS 113 HD3 LYS 113 2.806 -2.721 17.170 848 HE2 LYS 113 HE2 LYS 113 2.371 -3.379 19.455 849 HE3 LYS 113 HE3 LYS 113 2.315 -1.683 19.961 850 HZ1 LYS 113 HZ1 LYS 113 0.340 -1.371 18.631 851 HZ2 LYS 113 HZ2 LYS 113 0.420 -2.899 18.014 852 HZ3 LYS 113 HZ3 LYS 113 0.070 -2.684 19.602 853 H LEU 114 H LEU 114 6.556 -5.650 17.307 854 HA LEU 114 HA LEU 114 7.113 -7.335 19.670 855 HB2 LEU 114 HB2 LEU 114 5.419 -7.628 17.564 856 HB3 LEU 114 HB3 LEU 114 6.866 -8.322 16.831 857 HG LEU 114 HG LEU 114 5.464 -9.225 19.374 858 HD11 LEU 114 HD11 LEU 114 4.908 -11.223 18.049 859 HD12 LEU 114 HD12 LEU 114 4.266 -9.763 17.284 860 HD13 LEU 114 HD13 LEU 114 5.730 -10.534 16.633 861 HD21 LEU 114 HD21 LEU 114 7.811 -9.712 19.650 862 HD22 LEU 114 HD22 LEU 114 7.010 -11.209 19.181 863 HD23 LEU 114 HD23 LEU 114 7.942 -10.303 17.965 864 H VAL 115 H VAL 115 8.545 -6.576 16.463 865 HA VAL 115 HA VAL 115 10.899 -8.062 16.972 866 HB VAL 115 HB VAL 115 10.557 -5.824 14.957 867 HG11 VAL 115 HG11 VAL 115 12.580 -8.112 15.153 868 HG12 VAL 115 HG12 VAL 115 12.340 -7.111 13.711 869 HG13 VAL 115 HG13 VAL 115 12.949 -6.375 15.187 870 HG21 VAL 115 HG21 VAL 115 8.882 -7.639 14.669 871 HG22 VAL 115 HG22 VAL 115 10.090 -7.685 13.385 872 HG23 VAL 115 HG23 VAL 115 10.179 -8.849 14.722 873 H GLU 116 H GLU 116 10.223 -4.748 18.074 874 HA GLU 116 HA GLU 116 12.852 -3.982 18.814 875 HB2 GLU 116 HB2 GLU 116 10.944 -2.529 19.207 876 HB3 GLU 116 HB3 GLU 116 10.240 -3.684 20.353 877 HG2 GLU 116 HG2 GLU 116 12.105 -3.346 21.909 878 HG3 GLU 116 HG3 GLU 116 12.959 -2.361 20.713 879 H GLU 117 H GLU 117 10.768 -6.583 20.265 880 HA GLU 117 HA GLU 117 12.465 -6.908 22.576 881 HB2 GLU 117 HB2 GLU 117 10.148 -8.584 21.533 882 HB3 GLU 117 HB3 GLU 117 10.908 -8.645 23.138 883 HG2 GLU 117 HG2 GLU 117 10.256 -6.011 23.078 884 HG3 GLU 117 HG3 GLU 117 9.054 -6.594 21.933 885 H ALA 118 H ALA 118 13.116 -7.613 19.447 886 HA ALA 118 HA ALA 118 14.284 -10.316 19.772 887 HB1 ALA 118 HB1 ALA 118 14.353 -8.487 17.348 888 HB2 ALA 118 HB2 ALA 118 14.790 -10.197 17.428 889 HB3 ALA 118 HB3 ALA 118 13.093 -9.715 17.638 890 H GLN 119 H GLN 119 15.107 -6.922 19.926 891 HA GLN 119 HA GLN 119 17.983 -7.257 19.454 892 HB2 GLN 119 HB2 GLN 119 16.168 -4.901 20.055 893 HB3 GLN 119 HB3 GLN 119 17.901 -4.755 20.175 894 HG2 GLN 119 HG2 GLN 119 17.314 -4.016 18.006 895 HG3 GLN 119 HG3 GLN 119 18.165 -5.569 17.821 896 HE21 GLN 119 HE22 GLN 119 14.969 -4.080 18.093 897 HE22 GLN 119 HE21 GLN 119 14.164 -5.492 17.416 Start of MODEL 24 1 H SER 1 H SER 1 17.270 -5.464 14.554 2 HA SER 1 HA SER 1 15.560 -3.464 15.979 3 HB2 SER 1 HB2 SER 1 18.529 -3.964 16.304 4 HB3 SER 1 HB3 SER 1 17.492 -2.968 17.331 5 HG SER 1 HG SER 1 18.060 -5.532 17.531 6 H GLU 2 H GLU 2 18.366 -3.633 13.761 7 HA GLU 2 HA GLU 2 18.575 -0.759 13.347 8 HB2 GLU 2 HB2 GLU 2 20.473 -2.301 13.188 9 HB3 GLU 2 HB3 GLU 2 19.720 -3.165 11.851 10 HG2 GLU 2 HG2 GLU 2 20.057 -1.383 10.341 11 HG3 GLU 2 HG3 GLU 2 20.259 -0.204 11.637 12 H ALA 3 H ALA 3 17.119 -3.469 11.600 13 HA ALA 3 HA ALA 3 16.002 -1.916 9.440 14 HB1 ALA 3 HB1 ALA 3 14.819 -4.007 8.910 15 HB2 ALA 3 HB2 ALA 3 16.522 -4.325 9.294 16 HB3 ALA 3 HB3 ALA 3 15.257 -4.677 10.496 17 H LEU 4 H LEU 4 14.950 -1.960 12.719 18 HA LEU 4 HA LEU 4 12.202 -2.418 12.418 19 HB2 LEU 4 HB2 LEU 4 13.425 -2.421 14.598 20 HB3 LEU 4 HB3 LEU 4 13.548 -0.678 14.518 21 HG LEU 4 HG LEU 4 11.081 -0.461 14.602 22 HD11 LEU 4 HD11 LEU 4 11.248 -3.472 14.899 23 HD12 LEU 4 HD12 LEU 4 9.799 -2.521 15.307 24 HD13 LEU 4 HD13 LEU 4 10.383 -2.571 13.635 25 HD21 LEU 4 HD21 LEU 4 12.423 -0.406 16.674 26 HD22 LEU 4 HD22 LEU 4 10.802 -1.072 16.917 27 HD23 LEU 4 HD23 LEU 4 12.204 -2.163 16.845 28 H ALA 5 H ALA 5 13.873 0.872 12.167 29 HA ALA 5 HA ALA 5 11.385 2.220 11.733 30 HB1 ALA 5 HB1 ALA 5 14.293 2.937 11.147 31 HB2 ALA 5 HB2 ALA 5 12.910 4.051 11.139 32 HB3 ALA 5 HB3 ALA 5 13.408 3.286 12.650 33 H LYS 6 H LYS 6 13.210 0.093 9.583 34 HA LYS 6 HA LYS 6 12.988 1.871 7.277 35 HB2 LYS 6 HB2 LYS 6 14.894 0.273 7.623 36 HB3 LYS 6 HB3 LYS 6 13.789 -1.060 7.226 37 HG2 LYS 6 HG2 LYS 6 13.347 -0.076 5.026 38 HG3 LYS 6 HG3 LYS 6 14.250 1.385 5.451 39 HD2 LYS 6 HD2 LYS 6 16.334 0.007 5.599 40 HD3 LYS 6 HD3 LYS 6 15.407 -1.399 5.021 41 HE2 LYS 6 HE2 LYS 6 14.789 -0.124 2.963 42 HE3 LYS 6 HE3 LYS 6 15.693 1.273 3.553 43 HZ1 LYS 6 HZ1 LYS 6 16.852 -1.373 2.858 44 HZ2 LYS 6 HZ2 LYS 6 17.017 0.022 1.995 45 HZ3 LYS 6 HZ3 LYS 6 17.707 -0.108 3.488 46 H LEU 7 H LEU 7 11.298 -1.074 8.369 47 HA LEU 7 HA LEU 7 9.401 -1.452 6.349 48 HB2 LEU 7 HB2 LEU 7 9.232 -1.615 9.389 49 HB3 LEU 7 HB3 LEU 7 7.838 -1.983 8.400 50 HG LEU 7 HG LEU 7 9.059 -3.963 9.200 51 HD11 LEU 7 HD11 LEU 7 8.912 -3.652 6.179 52 HD12 LEU 7 HD12 LEU 7 9.042 -5.192 7.051 53 HD13 LEU 7 HD13 LEU 7 7.620 -4.173 7.286 54 HD21 LEU 7 HD21 LEU 7 11.133 -4.700 8.204 55 HD22 LEU 7 HD22 LEU 7 11.258 -3.226 7.234 56 HD23 LEU 7 HD23 LEU 7 11.385 -3.151 9.015 57 H ILE 8 H ILE 8 9.088 0.797 9.076 58 HA ILE 8 HA ILE 8 6.675 2.063 8.089 59 HB ILE 8 HB ILE 8 8.648 2.846 10.252 60 HG12 ILE 8 HG12 ILE 8 7.489 0.761 10.736 61 HG13 ILE 8 HG13 ILE 8 6.935 2.034 11.809 62 HG21 ILE 8 HG21 ILE 8 5.940 4.091 9.649 63 HG22 ILE 8 HG22 ILE 8 6.891 4.346 11.126 64 HG23 ILE 8 HG23 ILE 8 7.522 4.890 9.575 65 HD11 ILE 8 HD11 ILE 8 5.407 0.892 9.422 66 HD12 ILE 8 HD12 ILE 8 5.056 0.647 11.133 67 HD13 ILE 8 HD13 ILE 8 4.844 2.249 10.428 68 H SER 9 H SER 9 10.067 2.667 7.412 69 HA SER 9 HA SER 9 9.666 5.412 6.491 70 HB2 SER 9 HB2 SER 9 12.032 3.538 6.138 71 HB3 SER 9 HB3 SER 9 11.988 5.261 5.755 72 HG SER 9 HG SER 9 11.601 4.064 8.308 73 H LEU 10 H LEU 10 9.546 2.172 5.017 74 HA LEU 10 HA LEU 10 9.454 3.113 2.265 75 HB2 LEU 10 HB2 LEU 10 8.623 0.528 3.648 76 HB3 LEU 10 HB3 LEU 10 8.152 0.872 1.998 77 HG LEU 10 HG LEU 10 10.639 1.213 1.445 78 HD11 LEU 10 HD11 LEU 10 10.847 -0.384 4.033 79 HD12 LEU 10 HD12 LEU 10 12.157 -0.176 2.841 80 HD13 LEU 10 HD13 LEU 10 11.551 1.231 3.719 81 HD21 LEU 10 HD21 LEU 10 9.371 -0.664 0.622 82 HD22 LEU 10 HD22 LEU 10 10.914 -1.280 1.202 83 HD23 LEU 10 HD23 LEU 10 9.441 -1.488 2.192 84 H GLN 11 H GLN 11 7.054 3.229 4.854 85 HA GLN 11 HA GLN 11 4.739 3.137 3.094 86 HB2 GLN 11 HB2 GLN 11 5.005 4.236 5.891 87 HB3 GLN 11 HB3 GLN 11 3.517 4.118 4.941 88 HG2 GLN 11 HG2 GLN 11 3.999 1.611 4.715 89 HG3 GLN 11 HG3 GLN 11 5.193 1.829 6.007 90 HE21 GLN 11 HE22 GLN 11 4.144 3.279 7.971 91 HE22 GLN 11 HE21 GLN 11 2.545 2.687 8.379 92 H ALA 12 H ALA 12 3.745 4.705 1.989 93 HA ALA 12 HA ALA 12 5.097 7.129 1.377 94 HB1 ALA 12 HB1 ALA 12 3.674 5.888 -0.204 95 HB2 ALA 12 HB2 ALA 12 2.247 6.263 0.794 96 HB3 ALA 12 HB3 ALA 12 3.132 7.568 -0.023 97 H THR 13 H THR 13 4.548 9.258 1.721 98 HA THR 13 HA THR 13 3.308 9.955 4.297 99 HB THR 13 HB THR 13 4.067 12.292 3.486 100 HG1 THR 13 HG1 THR 13 5.221 12.431 1.764 101 HG21 THR 13 HG21 THR 13 5.384 10.931 5.120 102 HG22 THR 13 HG22 THR 13 6.194 10.112 3.765 103 HG23 THR 13 HG23 THR 13 6.435 11.854 4.028 104 H GLU 14 H GLU 14 2.384 10.022 0.913 105 HA GLU 14 HA GLU 14 -0.109 11.481 1.623 106 HB2 GLU 14 HB2 GLU 14 0.039 12.781 -0.384 107 HB3 GLU 14 HB3 GLU 14 1.463 13.056 0.604 108 HG2 GLU 14 HG2 GLU 14 1.367 11.225 -1.832 109 HG3 GLU 14 HG3 GLU 14 1.845 12.921 -1.857 110 H ALA 15 H ALA 15 -1.901 11.187 0.181 111 HA ALA 15 HA ALA 15 -1.844 8.815 -1.594 112 HB1 ALA 15 HB1 ALA 15 -3.782 9.090 0.744 113 HB2 ALA 15 HB2 ALA 15 -3.804 7.814 -0.496 114 HB3 ALA 15 HB3 ALA 15 -2.441 7.924 0.635 115 H THR 16 H THR 16 -3.576 8.703 -3.066 116 HA THR 16 HA THR 16 -5.126 11.252 -3.432 117 HB THR 16 HB THR 16 -4.256 9.286 -5.564 118 HG1 THR 16 HG1 THR 16 -3.049 11.278 -6.133 119 HG21 THR 16 HG21 THR 16 -5.559 12.047 -5.754 120 HG22 THR 16 HG22 THR 16 -5.023 11.037 -7.119 121 HG23 THR 16 HG23 THR 16 -6.370 10.507 -6.118 122 H ILE 17 H ILE 17 -7.147 11.120 -2.829 123 HA ILE 17 HA ILE 17 -8.628 8.547 -2.789 124 HB ILE 17 HB ILE 17 -9.397 11.302 -1.710 125 HG12 ILE 17 HG12 ILE 17 -8.218 8.939 -0.181 126 HG13 ILE 17 HG13 ILE 17 -7.400 10.460 -0.517 127 HG21 ILE 17 HG21 ILE 17 -11.347 9.872 -2.161 128 HG22 ILE 17 HG22 ILE 17 -10.612 8.539 -1.249 129 HG23 ILE 17 HG23 ILE 17 -11.128 10.038 -0.443 130 HD11 ILE 17 HD11 ILE 17 -9.807 10.076 1.301 131 HD12 ILE 17 HD12 ILE 17 -8.161 10.489 1.758 132 HD13 ILE 17 HD13 ILE 17 -9.132 11.659 0.839 133 H VAL 18 H VAL 18 -10.369 8.134 -4.233 134 HA VAL 18 HA VAL 18 -11.192 10.412 -5.997 135 HB VAL 18 HB VAL 18 -12.453 8.674 -7.270 136 HG11 VAL 18 HG11 VAL 18 -9.427 8.691 -7.258 137 HG12 VAL 18 HG12 VAL 18 -10.431 7.998 -8.562 138 HG13 VAL 18 HG13 VAL 18 -10.548 9.706 -8.182 139 HG21 VAL 18 HG21 VAL 18 -12.263 6.762 -5.665 140 HG22 VAL 18 HG22 VAL 18 -11.629 6.392 -7.271 141 HG23 VAL 18 HG23 VAL 18 -10.502 6.746 -5.947 142 H THR 19 H THR 19 -12.771 11.565 -5.264 143 HA THR 19 HA THR 19 -14.541 10.625 -3.151 144 HB THR 19 HB THR 19 -14.507 13.234 -4.707 145 HG1 THR 19 HG1 THR 19 -12.743 13.233 -3.554 146 HG21 THR 19 HG21 THR 19 -15.898 12.495 -2.097 147 HG22 THR 19 HG22 THR 19 -15.725 14.138 -2.744 148 HG23 THR 19 HG23 THR 19 -16.695 12.943 -3.612 149 H LEU 20 H LEU 20 -16.697 10.146 -3.223 150 HA LEU 20 HA LEU 20 -17.997 9.871 -5.867 151 HB2 LEU 20 HB2 LEU 20 -18.525 7.676 -3.906 152 HB3 LEU 20 HB3 LEU 20 -18.805 7.792 -5.595 153 HG LEU 20 HG LEU 20 -15.990 7.579 -4.446 154 HD11 LEU 20 HD11 LEU 20 -17.667 5.328 -5.621 155 HD12 LEU 20 HD12 LEU 20 -16.001 5.239 -5.022 156 HD13 LEU 20 HD13 LEU 20 -17.323 5.561 -3.901 157 HD21 LEU 20 HD21 LEU 20 -16.145 8.498 -6.773 158 HD22 LEU 20 HD22 LEU 20 -15.350 6.929 -6.712 159 HD23 LEU 20 HD23 LEU 20 -17.034 7.044 -7.266 160 H ASP 21 H ASP 21 -18.552 12.044 -4.853 161 HA ASP 21 HA ASP 21 -20.474 12.092 -2.646 162 HB2 ASP 21 HB2 ASP 21 -18.811 14.004 -3.740 163 HB3 ASP 21 HB3 ASP 21 -20.323 14.379 -4.536 164 H SER 22 H SER 22 -20.629 11.038 -5.680 165 HA SER 22 HA SER 22 -23.525 11.191 -6.022 166 HB2 SER 22 HB2 SER 22 -21.639 11.867 -8.319 167 HB3 SER 22 HB3 SER 22 -23.398 11.739 -8.389 168 HG SER 22 HG SER 22 -23.451 13.458 -6.808 169 H ASP 23 H ASP 23 -24.069 9.313 -6.208 170 HA ASP 23 HA ASP 23 -23.591 7.043 -5.742 171 HB2 ASP 23 HB2 ASP 23 -25.696 7.749 -6.805 172 HB3 ASP 23 HB3 ASP 23 -25.017 7.433 -8.392 173 H ASN 24 H ASN 24 -21.300 6.804 -5.895 174 HA ASN 24 HA ASN 24 -19.320 6.205 -6.747 175 HB2 ASN 24 HB2 ASN 24 -19.175 3.875 -7.522 176 HB3 ASN 24 HB3 ASN 24 -20.204 4.083 -6.122 177 HD21 ASN 24 HD22 ASN 24 -22.285 3.364 -6.248 178 HD22 ASN 24 HD21 ASN 24 -22.868 2.510 -7.671 179 H ILE 25 H ILE 25 -20.938 7.934 -8.681 180 HA ILE 25 HA ILE 25 -19.511 7.416 -11.178 181 HB ILE 25 HB ILE 25 -21.232 9.265 -11.848 182 HG12 ILE 25 HG12 ILE 25 -22.707 8.460 -9.401 183 HG13 ILE 25 HG13 ILE 25 -21.859 9.994 -9.655 184 HG21 ILE 25 HG21 ILE 25 -22.016 6.432 -11.087 185 HG22 ILE 25 HG22 ILE 25 -22.918 7.453 -12.227 186 HG23 ILE 25 HG23 ILE 25 -21.273 6.956 -12.606 187 HD11 ILE 25 HD11 ILE 25 -24.237 8.966 -11.227 188 HD12 ILE 25 HD12 ILE 25 -24.214 10.295 -10.069 189 HD13 ILE 25 HD13 ILE 25 -23.339 10.453 -11.604 190 H LEU 26 H LEU 26 -19.559 9.811 -8.590 191 HA LEU 26 HA LEU 26 -18.824 12.025 -10.089 192 HB2 LEU 26 HB2 LEU 26 -19.549 12.179 -7.763 193 HB3 LEU 26 HB3 LEU 26 -18.049 11.436 -7.227 194 HG LEU 26 HG LEU 26 -16.763 13.383 -8.071 195 HD11 LEU 26 HD11 LEU 26 -17.994 15.474 -8.642 196 HD12 LEU 26 HD12 LEU 26 -18.286 14.214 -9.845 197 HD13 LEU 26 HD13 LEU 26 -19.521 14.571 -8.615 198 HD21 LEU 26 HD21 LEU 26 -17.457 14.974 -6.380 199 HD22 LEU 26 HD22 LEU 26 -19.012 14.140 -6.235 200 HD23 LEU 26 HD23 LEU 26 -17.490 13.321 -5.759 201 H LEU 27 H LEU 27 -16.249 10.000 -8.318 202 HA LEU 27 HA LEU 27 -14.152 9.739 -8.668 203 HB2 LEU 27 HB2 LEU 27 -15.051 9.770 -11.553 204 HB3 LEU 27 HB3 LEU 27 -13.365 9.568 -11.105 205 HG LEU 27 HG LEU 27 -14.024 7.619 -9.634 206 HD11 LEU 27 HD11 LEU 27 -16.084 6.402 -10.246 207 HD12 LEU 27 HD12 LEU 27 -16.482 7.948 -9.504 208 HD13 LEU 27 HD13 LEU 27 -16.593 7.756 -11.268 209 HD21 LEU 27 HD21 LEU 27 -12.923 7.341 -11.794 210 HD22 LEU 27 HD22 LEU 27 -14.156 6.085 -11.590 211 HD23 LEU 27 HD23 LEU 27 -14.476 7.481 -12.640 212 H SER 28 H SER 28 -14.575 12.098 -7.687 213 HA SER 28 HA SER 28 -12.949 14.111 -9.197 214 HB2 SER 28 HB2 SER 28 -15.025 15.024 -8.440 215 HB3 SER 28 HB3 SER 28 -14.811 14.343 -6.816 216 HG SER 28 HG SER 28 -14.112 16.715 -7.614 217 H GLU 29 H GLU 29 -10.760 13.697 -8.853 218 HA GLU 29 HA GLU 29 -9.967 12.322 -6.535 219 HB2 GLU 29 HB2 GLU 29 -8.012 13.661 -8.373 220 HB3 GLU 29 HB3 GLU 29 -7.868 12.187 -7.416 221 HG2 GLU 29 HG2 GLU 29 -8.240 11.113 -9.352 222 HG3 GLU 29 HG3 GLU 29 -9.930 11.470 -9.035 223 H GLU 30 H GLU 30 -8.997 12.870 -4.703 224 HA GLU 30 HA GLU 30 -8.152 15.702 -4.122 225 HB2 GLU 30 HB2 GLU 30 -9.242 13.685 -2.132 226 HB3 GLU 30 HB3 GLU 30 -8.939 15.387 -1.855 227 HG2 GLU 30 HG2 GLU 30 -11.090 14.273 -3.716 228 HG3 GLU 30 HG3 GLU 30 -11.320 14.610 -2.018 229 H GLN 31 H GLN 31 -5.830 15.834 -3.552 230 HA GLN 31 HA GLN 31 -4.505 13.373 -2.747 231 HB2 GLN 31 HB2 GLN 31 -3.574 14.260 -4.525 232 HB3 GLN 31 HB3 GLN 31 -3.728 15.942 -4.057 233 HG2 GLN 31 HG2 GLN 31 -1.951 15.934 -2.683 234 HG3 GLN 31 HG3 GLN 31 -2.169 14.226 -2.223 235 HE21 GLN 31 HE21 GLN 31 -1.815 15.856 -5.391 236 HE22 GLN 31 HE22 GLN 31 -0.971 14.475 -6.006 237 H VAL 32 H VAL 32 -3.907 13.079 -0.751 238 HA VAL 32 HA VAL 32 -4.235 15.186 1.372 239 HB VAL 32 HB VAL 32 -5.348 13.580 2.773 240 HG11 VAL 32 HG11 VAL 32 -6.791 13.650 0.105 241 HG12 VAL 32 HG12 VAL 32 -7.505 13.384 1.707 242 HG13 VAL 32 HG13 VAL 32 -6.773 14.944 1.327 243 HG21 VAL 32 HG21 VAL 32 -4.356 11.448 1.876 244 HG22 VAL 32 HG22 VAL 32 -6.099 11.397 2.101 245 HG23 VAL 32 HG23 VAL 32 -5.432 11.598 0.470 246 H ASP 33 H ASP 33 -3.384 14.501 3.492 247 HA ASP 33 HA ASP 33 -0.778 13.067 3.329 248 HB2 ASP 33 HB2 ASP 33 -0.920 15.076 4.748 249 HB3 ASP 33 HB3 ASP 33 -2.177 14.314 5.723 250 H VAL 34 H VAL 34 -0.381 11.098 4.384 251 HA VAL 34 HA VAL 34 -2.459 9.186 4.222 252 HB VAL 34 HB VAL 34 -0.038 8.871 3.831 253 HG11 VAL 34 HG11 VAL 34 0.210 8.537 6.843 254 HG12 VAL 34 HG12 VAL 34 1.485 8.436 5.616 255 HG13 VAL 34 HG13 VAL 34 0.732 9.984 5.950 256 HG21 VAL 34 HG21 VAL 34 -1.602 6.935 3.986 257 HG22 VAL 34 HG22 VAL 34 0.070 6.570 4.428 258 HG23 VAL 34 HG23 VAL 34 -1.150 6.750 5.696 259 H GLU 35 H GLU 35 -1.973 11.284 6.904 260 HA GLU 35 HA GLU 35 -3.303 9.586 8.894 261 HB2 GLU 35 HB2 GLU 35 -1.859 11.491 9.459 262 HB3 GLU 35 HB3 GLU 35 -2.985 12.608 8.681 263 HG2 GLU 35 HG2 GLU 35 -4.709 12.119 10.334 264 HG3 GLU 35 HG3 GLU 35 -3.737 10.816 11.028 265 H LEU 36 H LEU 36 -4.373 11.735 6.318 266 HA LEU 36 HA LEU 36 -7.061 12.102 7.405 267 HB2 LEU 36 HB2 LEU 36 -5.909 13.099 4.801 268 HB3 LEU 36 HB3 LEU 36 -7.268 13.770 5.696 269 HG LEU 36 HG LEU 36 -4.332 13.849 6.528 270 HD11 LEU 36 HD11 LEU 36 -4.958 15.370 4.679 271 HD12 LEU 36 HD12 LEU 36 -6.230 16.072 5.702 272 HD13 LEU 36 HD13 LEU 36 -4.518 16.237 6.158 273 HD21 LEU 36 HD21 LEU 36 -5.727 13.707 8.546 274 HD22 LEU 36 HD22 LEU 36 -5.101 15.345 8.350 275 HD23 LEU 36 HD23 LEU 36 -6.790 14.981 7.917 276 H VAL 37 H VAL 37 -5.876 9.587 5.814 277 HA VAL 37 HA VAL 37 -8.306 9.007 4.193 278 HB VAL 37 HB VAL 37 -6.252 8.820 2.961 279 HG11 VAL 37 HG11 VAL 37 -4.552 7.141 3.389 280 HG12 VAL 37 HG12 VAL 37 -4.658 8.245 4.760 281 HG13 VAL 37 HG13 VAL 37 -5.374 6.617 4.868 282 HG21 VAL 37 HG21 VAL 37 -8.080 7.329 2.393 283 HG22 VAL 37 HG22 VAL 37 -6.512 6.559 2.088 284 HG23 VAL 37 HG23 VAL 37 -7.465 6.081 3.504 285 H GLN 38 H GLN 38 -9.650 7.400 4.691 286 HA GLN 38 HA GLN 38 -9.270 5.916 7.259 287 HB2 GLN 38 HB2 GLN 38 -11.635 5.957 7.596 288 HB3 GLN 38 HB3 GLN 38 -11.066 7.601 7.389 289 HG2 GLN 38 HG2 GLN 38 -12.183 7.850 5.329 290 HG3 GLN 38 HG3 GLN 38 -12.205 6.125 4.985 291 HE21 GLN 38 HE22 GLN 38 -13.683 8.573 7.053 292 HE22 GLN 38 HE21 GLN 38 -15.061 7.544 7.441 293 H ARG 39 H ARG 39 -10.510 3.788 7.317 294 HA ARG 39 HA ARG 39 -9.691 2.183 5.063 295 HB2 ARG 39 HB2 ARG 39 -10.488 0.335 6.244 296 HB3 ARG 39 HB3 ARG 39 -9.849 1.439 7.462 297 HG2 ARG 39 HG2 ARG 39 -12.307 2.194 7.774 298 HG3 ARG 39 HG3 ARG 39 -12.741 0.807 6.760 299 HD2 ARG 39 HD2 ARG 39 -11.591 -0.714 8.378 300 HD3 ARG 39 HD3 ARG 39 -11.148 0.693 9.343 301 HE ARG 39 HE ARG 39 -13.202 0.556 10.353 302 HH11 ARG 39 HH11 ARG 39 -13.579 -1.345 7.412 303 HH12 ARG 39 HH12 ARG 39 -15.309 -1.494 7.700 304 HH21 ARG 39 HH21 ARG 39 -15.401 0.283 10.581 305 HH22 ARG 39 HH22 ARG 39 -16.174 -0.890 9.520 306 H GLY 40 H GLY 40 -12.529 4.023 5.392 307 HA2 GLY 40 HA2 GLY 40 -14.055 2.495 3.373 308 HA3 GLY 40 HA3 GLY 40 -14.586 3.930 4.241 309 H ASP 41 H ASP 41 -11.468 4.542 2.917 310 HA ASP 41 HA ASP 41 -12.668 6.048 0.659 311 HB2 ASP 41 HB2 ASP 41 -9.921 6.055 1.932 312 HB3 ASP 41 HB3 ASP 41 -10.354 7.013 0.518 313 H ILE 42 H ILE 42 -11.797 6.006 -1.453 314 HA ILE 42 HA ILE 42 -10.642 3.390 -2.341 315 HB ILE 42 HB ILE 42 -12.387 5.330 -3.858 316 HG12 ILE 42 HG12 ILE 42 -13.724 4.132 -2.199 317 HG13 ILE 42 HG13 ILE 42 -14.092 3.621 -3.831 318 HG21 ILE 42 HG21 ILE 42 -11.143 2.666 -4.660 319 HG22 ILE 42 HG22 ILE 42 -12.406 3.513 -5.588 320 HG23 ILE 42 HG23 ILE 42 -10.819 4.256 -5.372 321 HD11 ILE 42 HD11 ILE 42 -14.093 1.741 -2.261 322 HD12 ILE 42 HD12 ILE 42 -12.855 1.535 -3.509 323 HD13 ILE 42 HD13 ILE 42 -12.398 2.047 -1.859 324 H ILE 43 H ILE 43 -8.521 3.520 -2.992 325 HA ILE 43 HA ILE 43 -7.409 6.172 -3.626 326 HB ILE 43 HB ILE 43 -6.124 3.666 -2.476 327 HG12 ILE 43 HG12 ILE 43 -7.788 4.352 -0.860 328 HG13 ILE 43 HG13 ILE 43 -6.184 4.698 -0.260 329 HG21 ILE 43 HG21 ILE 43 -5.127 6.535 -2.624 330 HG22 ILE 43 HG22 ILE 43 -4.353 5.246 -1.684 331 HG23 ILE 43 HG23 ILE 43 -4.449 5.114 -3.439 332 HD11 ILE 43 HD11 ILE 43 -7.996 6.803 -1.521 333 HD12 ILE 43 HD12 ILE 43 -7.870 6.485 0.200 334 HD13 ILE 43 HD13 ILE 43 -6.452 7.085 -0.688 335 H LYS 44 H LYS 44 -6.397 6.558 -5.519 336 HA LYS 44 HA LYS 44 -5.758 4.304 -7.331 337 HB2 LYS 44 HB2 LYS 44 -5.408 7.222 -8.001 338 HB3 LYS 44 HB3 LYS 44 -5.704 5.863 -9.076 339 HG2 LYS 44 HG2 LYS 44 -7.654 7.197 -7.177 340 HG3 LYS 44 HG3 LYS 44 -7.656 7.293 -8.928 341 HD2 LYS 44 HD2 LYS 44 -8.192 4.749 -7.326 342 HD3 LYS 44 HD3 LYS 44 -9.437 5.810 -7.950 343 HE2 LYS 44 HE2 LYS 44 -7.417 4.376 -9.725 344 HE3 LYS 44 HE3 LYS 44 -9.006 3.765 -9.308 345 HZ1 LYS 44 HZ1 LYS 44 -8.653 6.390 -10.633 346 HZ2 LYS 44 HZ2 LYS 44 -8.893 4.976 -11.434 347 HZ3 LYS 44 HZ3 LYS 44 -10.047 5.551 -10.408 348 H VAL 45 H VAL 45 -3.807 3.827 -8.233 349 HA VAL 45 HA VAL 45 -1.398 5.244 -7.160 350 HB VAL 45 HB VAL 45 -1.892 2.949 -6.247 351 HG11 VAL 45 HG11 VAL 45 -0.894 1.958 -8.950 352 HG12 VAL 45 HG12 VAL 45 -1.245 0.986 -7.514 353 HG13 VAL 45 HG13 VAL 45 -2.562 1.830 -8.348 354 HG21 VAL 45 HG21 VAL 45 0.787 3.320 -7.666 355 HG22 VAL 45 HG22 VAL 45 0.341 4.001 -6.083 356 HG23 VAL 45 HG23 VAL 45 0.463 2.247 -6.290 357 H VAL 46 H VAL 46 0.119 5.982 -8.547 358 HA VAL 46 HA VAL 46 -0.488 5.932 -11.389 359 HB VAL 46 HB VAL 46 1.410 7.437 -11.668 360 HG11 VAL 46 HG11 VAL 46 -0.779 8.316 -10.913 361 HG12 VAL 46 HG12 VAL 46 -0.177 8.264 -9.239 362 HG13 VAL 46 HG13 VAL 46 0.609 9.305 -10.433 363 HG21 VAL 46 HG21 VAL 46 3.030 6.549 -10.083 364 HG22 VAL 46 HG22 VAL 46 2.717 8.255 -9.774 365 HG23 VAL 46 HG23 VAL 46 1.994 7.036 -8.717 366 HA PRO 47 HA PRO 47 2.518 2.877 -12.789 367 HB2 PRO 47 HB2 PRO 47 3.486 4.632 -14.958 368 HB3 PRO 47 HB3 PRO 47 2.620 3.082 -15.078 369 HG2 PRO 47 HG2 PRO 47 1.454 5.492 -15.741 370 HG3 PRO 47 HG3 PRO 47 0.525 4.131 -15.052 371 HD2 PRO 47 HD2 PRO 47 1.651 6.536 -13.638 372 HD3 PRO 47 HD3 PRO 47 0.031 5.799 -13.482 373 H GLY 48 H GLY 48 4.420 2.578 -11.698 374 HA2 GLY 48 HA2 GLY 48 6.589 3.011 -10.909 375 HA3 GLY 48 HA3 GLY 48 6.486 4.675 -11.458 376 H GLY 49 H GLY 49 3.644 4.268 -9.744 377 HA2 GLY 49 HA2 GLY 49 4.556 5.751 -7.477 378 HA3 GLY 49 HA3 GLY 49 2.938 5.114 -7.745 379 H LYS 50 H LYS 50 3.560 5.191 -5.241 380 HA LYS 50 HA LYS 50 4.335 2.398 -4.439 381 HB2 LYS 50 HB2 LYS 50 4.725 4.921 -2.794 382 HB3 LYS 50 HB3 LYS 50 5.198 3.270 -2.353 383 HG2 LYS 50 HG2 LYS 50 6.746 3.232 -4.333 384 HG3 LYS 50 HG3 LYS 50 6.310 4.912 -4.653 385 HD2 LYS 50 HD2 LYS 50 7.108 5.468 -2.302 386 HD3 LYS 50 HD3 LYS 50 7.792 3.833 -2.225 387 HE2 LYS 50 HE2 LYS 50 9.217 4.290 -4.174 388 HE3 LYS 50 HE3 LYS 50 8.407 5.840 -4.432 389 HZ1 LYS 50 HZ1 LYS 50 10.492 6.229 -3.305 390 HZ2 LYS 50 HZ2 LYS 50 9.279 6.591 -2.267 391 HZ3 LYS 50 HZ3 LYS 50 10.098 5.208 -2.079 392 H PHE 51 H PHE 51 3.191 1.344 -2.883 393 HA PHE 51 HA PHE 51 0.376 2.108 -2.701 394 HB2 PHE 51 HB2 PHE 51 1.891 -0.338 -1.785 395 HB3 PHE 51 HB3 PHE 51 0.179 -0.098 -1.484 396 HD1 PHE 51 HD1 PHE 51 2.703 -0.699 -4.137 397 HD2 PHE 51 HD2 PHE 51 -1.486 -0.255 -3.270 398 HE1 PHE 51 HE1 PHE 51 2.165 -1.642 -6.346 399 HE2 PHE 51 HE2 PHE 51 -2.028 -1.214 -5.505 400 HZ PHE 51 HZ PHE 51 -0.203 -1.890 -7.051 401 HA PRO 52 HA PRO 52 1.171 3.992 1.290 402 HB2 PRO 52 HB2 PRO 52 -1.065 5.486 1.584 403 HB3 PRO 52 HB3 PRO 52 0.100 5.783 0.261 404 HG2 PRO 52 HG2 PRO 52 -2.495 4.234 0.118 405 HG3 PRO 52 HG3 PRO 52 -1.893 5.506 -0.989 406 HD2 PRO 52 HD2 PRO 52 -1.587 2.806 -1.475 407 HD3 PRO 52 HD3 PRO 52 -0.424 4.045 -2.029 408 H VAL 53 H VAL 53 -1.419 1.654 1.001 409 HA VAL 53 HA VAL 53 -1.521 1.146 3.863 410 HB VAL 53 HB VAL 53 -4.063 1.117 3.855 411 HG11 VAL 53 HG11 VAL 53 -2.777 3.870 3.824 412 HG12 VAL 53 HG12 VAL 53 -4.253 3.367 4.675 413 HG13 VAL 53 HG13 VAL 53 -2.683 2.712 5.163 414 HG21 VAL 53 HG21 VAL 53 -5.259 2.670 2.473 415 HG22 VAL 53 HG22 VAL 53 -3.769 3.240 1.708 416 HG23 VAL 53 HG23 VAL 53 -4.355 1.583 1.396 417 H ASP 54 H ASP 54 -3.009 -0.882 4.227 418 HA ASP 54 HA ASP 54 -2.553 -2.698 1.938 419 HB2 ASP 54 HB2 ASP 54 -2.380 -4.513 3.220 420 HB3 ASP 54 HB3 ASP 54 -1.536 -3.287 4.133 421 H GLY 55 H GLY 55 -4.088 -4.000 1.008 422 HA2 GLY 55 HA2 GLY 55 -6.833 -4.102 1.555 423 HA3 GLY 55 HA3 GLY 55 -6.585 -2.610 0.650 424 H ARG 56 H ARG 56 -8.085 -3.673 -0.720 425 HA ARG 56 HA ARG 56 -7.031 -5.856 -2.476 426 HB2 ARG 56 HB2 ARG 56 -9.079 -6.178 -1.009 427 HB3 ARG 56 HB3 ARG 56 -9.933 -5.063 -2.073 428 HG2 ARG 56 HG2 ARG 56 -9.546 -6.610 -3.992 429 HG3 ARG 56 HG3 ARG 56 -8.584 -7.657 -2.933 430 HD2 ARG 56 HD2 ARG 56 -10.674 -8.688 -3.030 431 HD3 ARG 56 HD3 ARG 56 -10.614 -7.928 -1.454 432 HE ARG 56 HE ARG 56 -12.256 -6.349 -2.107 433 HH11 ARG 56 HH11 ARG 56 -12.043 -8.940 -4.436 434 HH12 ARG 56 HH12 ARG 56 -13.381 -8.338 -5.328 435 HH21 ARG 56 HH21 ARG 56 -13.858 -5.519 -3.472 436 HH22 ARG 56 HH22 ARG 56 -14.241 -6.414 -4.930 437 H VAL 57 H VAL 57 -7.181 -5.807 -4.693 438 HA VAL 57 HA VAL 57 -7.319 -3.077 -5.909 439 HB VAL 57 HB VAL 57 -5.637 -5.424 -6.850 440 HG11 VAL 57 HG11 VAL 57 -6.118 -3.724 -8.582 441 HG12 VAL 57 HG12 VAL 57 -5.524 -2.445 -7.498 442 HG13 VAL 57 HG13 VAL 57 -4.423 -3.695 -8.111 443 HG21 VAL 57 HG21 VAL 57 -4.820 -3.107 -5.060 444 HG22 VAL 57 HG22 VAL 57 -4.741 -4.840 -4.685 445 HG23 VAL 57 HG23 VAL 57 -3.681 -4.164 -5.922 446 H ILE 58 H ILE 58 -8.725 -2.785 -7.563 447 HA ILE 58 HA ILE 58 -9.882 -5.166 -8.956 448 HB ILE 58 HB ILE 58 -12.183 -4.272 -8.566 449 HG12 ILE 58 HG12 ILE 58 -10.850 -2.638 -6.363 450 HG13 ILE 58 HG13 ILE 58 -11.416 -1.966 -7.903 451 HG21 ILE 58 HG21 ILE 58 -11.203 -6.210 -7.327 452 HG22 ILE 58 HG22 ILE 58 -10.771 -5.097 -6.007 453 HG23 ILE 58 HG23 ILE 58 -12.468 -5.346 -6.459 454 HD11 ILE 58 HD11 ILE 58 -13.729 -2.661 -7.373 455 HD12 ILE 58 HD12 ILE 58 -13.178 -3.249 -5.782 456 HD13 ILE 58 HD13 ILE 58 -13.058 -1.528 -6.188 457 H GLU 59 H GLU 59 -8.063 -3.147 -10.023 458 HA GLU 59 HA GLU 59 -9.387 -3.050 -12.556 459 HB2 GLU 59 HB2 GLU 59 -10.092 -0.841 -11.177 460 HB3 GLU 59 HB3 GLU 59 -8.476 -0.318 -11.617 461 HG2 GLU 59 HG2 GLU 59 -9.991 0.525 -13.218 462 HG3 GLU 59 HG3 GLU 59 -9.097 -0.755 -14.044 463 H GLY 60 H GLY 60 -7.869 -3.112 -14.212 464 HA2 GLY 60 HA2 GLY 60 -5.955 -2.476 -15.378 465 HA3 GLY 60 HA3 GLY 60 -5.260 -1.802 -13.918 466 H HIS 61 H HIS 61 -3.346 -2.751 -14.820 467 HA HIS 61 HA HIS 61 -2.722 -5.210 -13.410 468 HB2 HIS 61 HB2 HIS 61 -1.783 -6.511 -15.270 469 HB3 HIS 61 HB3 HIS 61 -3.521 -6.393 -15.251 470 HD1 HIS 61 HD1 HIS 61 -3.181 -7.297 -17.797 471 HD2 HIS 61 HD2 HIS 61 -2.085 -3.316 -16.997 472 HE1 HIS 61 HE1 HIS 61 -2.955 -6.142 -20.058 473 H SER 62 H SER 62 -0.813 -5.215 -12.603 474 HA SER 62 HA SER 62 1.512 -4.070 -13.965 475 HB2 SER 62 HB2 SER 62 0.468 -2.810 -11.419 476 HB3 SER 62 HB3 SER 62 2.158 -2.700 -11.847 477 HG SER 62 HG SER 62 0.098 -2.047 -13.684 478 H MET 63 H MET 63 3.580 -4.358 -12.748 479 HA MET 63 HA MET 63 3.481 -6.869 -11.150 480 HB2 MET 63 HB2 MET 63 4.524 -7.209 -13.285 481 HB3 MET 63 HB3 MET 63 5.605 -5.832 -13.044 482 HG2 MET 63 HG2 MET 63 6.817 -6.891 -11.370 483 HG3 MET 63 HG3 MET 63 5.558 -8.092 -11.036 484 HE1 MET 63 HE1 MET 63 5.956 -10.756 -13.749 485 HE2 MET 63 HE2 MET 63 5.365 -10.399 -12.111 486 HE3 MET 63 HE3 MET 63 4.707 -9.520 -13.516 487 H VAL 64 H VAL 64 4.021 -6.695 -9.145 488 HA VAL 64 HA VAL 64 4.976 -4.085 -8.097 489 HB VAL 64 HB VAL 64 3.025 -6.153 -7.041 490 HG11 VAL 64 HG11 VAL 64 3.923 -3.626 -5.610 491 HG12 VAL 64 HG12 VAL 64 2.556 -4.654 -5.144 492 HG13 VAL 64 HG13 VAL 64 4.194 -5.301 -5.067 493 HG21 VAL 64 HG21 VAL 64 2.088 -4.669 -8.739 494 HG22 VAL 64 HG22 VAL 64 1.457 -4.179 -7.159 495 HG23 VAL 64 HG23 VAL 64 2.756 -3.248 -7.922 496 H ASP 65 H ASP 65 6.459 -3.884 -6.435 497 HA ASP 65 HA ASP 65 8.186 -6.230 -5.933 498 HB2 ASP 65 HB2 ASP 65 9.113 -4.178 -6.938 499 HB3 ASP 65 HB3 ASP 65 8.564 -3.234 -5.554 500 H GLU 66 H GLU 66 7.164 -7.371 -4.292 501 HA GLU 66 HA GLU 66 6.373 -6.021 -1.766 502 HB2 GLU 66 HB2 GLU 66 6.237 -8.974 -2.460 503 HB3 GLU 66 HB3 GLU 66 5.462 -8.128 -1.111 504 HG2 GLU 66 HG2 GLU 66 4.036 -6.905 -2.753 505 HG3 GLU 66 HG3 GLU 66 4.710 -7.913 -4.039 506 H SER 67 H SER 67 9.126 -7.485 -3.041 507 HA SER 67 HA SER 67 10.217 -9.304 -1.525 508 HB2 SER 67 HB2 SER 67 11.344 -8.244 -3.423 509 HB3 SER 67 HB3 SER 67 11.789 -6.864 -2.413 510 HG SER 67 HG SER 67 13.486 -8.271 -2.530 511 H LEU 68 H LEU 68 10.535 -5.909 -0.275 512 HA LEU 68 HA LEU 68 12.007 -6.906 2.055 513 HB2 LEU 68 HB2 LEU 68 12.366 -4.690 1.014 514 HB3 LEU 68 HB3 LEU 68 10.724 -4.204 1.366 515 HG LEU 68 HG LEU 68 12.512 -3.153 2.723 516 HD11 LEU 68 HD11 LEU 68 10.615 -4.629 4.559 517 HD12 LEU 68 HD12 LEU 68 11.354 -3.038 4.761 518 HD13 LEU 68 HD13 LEU 68 10.126 -3.281 3.511 519 HD21 LEU 68 HD21 LEU 68 13.974 -5.101 3.081 520 HD22 LEU 68 HD22 LEU 68 13.536 -4.297 4.598 521 HD23 LEU 68 HD23 LEU 68 12.749 -5.825 4.152 522 H ILE 69 H ILE 69 8.634 -6.315 1.356 523 HA ILE 69 HA ILE 69 7.713 -6.207 4.122 524 HB ILE 69 HB ILE 69 6.055 -6.759 1.629 525 HG12 ILE 69 HG12 ILE 69 7.349 -4.753 1.088 526 HG13 ILE 69 HG13 ILE 69 5.644 -4.429 1.272 527 HG21 ILE 69 HG21 ILE 69 5.450 -5.657 4.390 528 HG22 ILE 69 HG22 ILE 69 4.330 -5.501 3.029 529 HG23 ILE 69 HG23 ILE 69 4.789 -7.106 3.612 530 HD11 ILE 69 HD11 ILE 69 7.677 -3.855 3.464 531 HD12 ILE 69 HD12 ILE 69 7.103 -2.675 2.263 532 HD13 ILE 69 HD13 ILE 69 5.959 -3.384 3.404 533 H THR 70 H THR 70 7.501 -8.581 1.475 534 HA THR 70 HA THR 70 6.581 -10.707 3.329 535 HB THR 70 HB THR 70 5.856 -11.802 1.241 536 HG1 THR 70 HG1 THR 70 6.012 -10.505 -0.651 537 HG21 THR 70 HG21 THR 70 5.009 -8.865 1.359 538 HG22 THR 70 HG22 THR 70 4.142 -10.172 0.552 539 HG23 THR 70 HG23 THR 70 4.313 -10.191 2.315 540 H GLY 71 H GLY 71 9.489 -9.891 1.727 541 HA2 GLY 71 HA2 GLY 71 11.519 -10.950 1.837 542 HA3 GLY 71 HA3 GLY 71 10.762 -12.436 2.434 543 H GLU 72 H GLU 72 9.043 -11.545 -0.265 544 HA GLU 72 HA GLU 72 9.522 -13.781 -1.759 545 HB2 GLU 72 HB2 GLU 72 8.629 -11.024 -2.642 546 HB3 GLU 72 HB3 GLU 72 8.729 -12.344 -3.798 547 HG2 GLU 72 HG2 GLU 72 7.122 -12.585 -1.244 548 HG3 GLU 72 HG3 GLU 72 6.454 -11.899 -2.726 549 H ALA 73 H ALA 73 11.097 -10.677 -2.751 550 HA ALA 73 HA ALA 73 13.021 -10.214 -3.803 551 HB1 ALA 73 HB1 ALA 73 14.111 -11.315 -1.944 552 HB2 ALA 73 HB2 ALA 73 14.026 -12.870 -2.795 553 HB3 ALA 73 HB3 ALA 73 15.019 -11.544 -3.449 554 H MET 74 H MET 74 10.878 -11.307 -5.107 555 HA MET 74 HA MET 74 11.877 -11.196 -7.765 556 HB2 MET 74 HB2 MET 74 12.161 -13.569 -7.661 557 HB3 MET 74 HB3 MET 74 10.685 -13.781 -6.735 558 HG2 MET 74 HG2 MET 74 9.345 -13.094 -8.698 559 HG3 MET 74 HG3 MET 74 10.826 -13.006 -9.658 560 HE1 MET 74 HE1 MET 74 12.556 -15.491 -8.942 561 HE2 MET 74 HE2 MET 74 11.879 -16.759 -9.985 562 HE3 MET 74 HE3 MET 74 12.100 -15.118 -10.619 563 HA PRO 75 HA PRO 75 8.151 -8.906 -7.237 564 HB2 PRO 75 HB2 PRO 75 7.618 -7.979 -9.706 565 HB3 PRO 75 HB3 PRO 75 9.069 -7.508 -8.788 566 HG2 PRO 75 HG2 PRO 75 8.859 -9.691 -10.901 567 HG3 PRO 75 HG3 PRO 75 10.048 -8.347 -10.829 568 HD2 PRO 75 HD2 PRO 75 10.632 -10.818 -9.848 569 HD3 PRO 75 HD3 PRO 75 11.182 -9.341 -9.001 570 H VAL 76 H VAL 76 5.915 -8.656 -7.800 571 HA VAL 76 HA VAL 76 4.613 -11.292 -8.402 572 HB VAL 76 HB VAL 76 3.764 -9.106 -6.455 573 HG11 VAL 76 HG11 VAL 76 2.712 -11.915 -6.958 574 HG12 VAL 76 HG12 VAL 76 2.234 -10.877 -5.597 575 HG13 VAL 76 HG13 VAL 76 1.839 -10.397 -7.247 576 HG21 VAL 76 HG21 VAL 76 5.768 -10.114 -5.567 577 HG22 VAL 76 HG22 VAL 76 4.409 -10.848 -4.719 578 HG23 VAL 76 HG23 VAL 76 5.223 -11.742 -6.016 579 H ALA 77 H ALA 77 2.942 -11.409 -9.912 580 HA ALA 77 HA ALA 77 2.275 -8.967 -11.381 581 HB1 ALA 77 HB1 ALA 77 1.398 -11.866 -11.716 582 HB2 ALA 77 HB2 ALA 77 1.128 -10.542 -12.867 583 HB3 ALA 77 HB3 ALA 77 2.777 -11.099 -12.535 584 H LYS 78 H LYS 78 0.405 -7.885 -11.308 585 HA LYS 78 HA LYS 78 -1.828 -8.813 -9.529 586 HB2 LYS 78 HB2 LYS 78 -0.952 -5.955 -10.074 587 HB3 LYS 78 HB3 LYS 78 -2.185 -6.472 -8.933 588 HG2 LYS 78 HG2 LYS 78 0.794 -7.119 -8.676 589 HG3 LYS 78 HG3 LYS 78 -0.018 -5.755 -7.933 590 HD2 LYS 78 HD2 LYS 78 -1.436 -7.267 -6.595 591 HD3 LYS 78 HD3 LYS 78 -0.710 -8.683 -7.384 592 HE2 LYS 78 HE2 LYS 78 1.500 -8.082 -6.466 593 HE3 LYS 78 HE3 LYS 78 0.814 -6.640 -5.705 594 HZ1 LYS 78 HZ1 LYS 78 0.025 -9.436 -5.057 595 HZ2 LYS 78 HZ2 LYS 78 1.005 -8.516 -4.126 596 HZ3 LYS 78 HZ3 LYS 78 -0.580 -8.122 -4.324 597 H LYS 79 H LYS 79 -3.932 -8.192 -10.040 598 HA LYS 79 HA LYS 79 -4.767 -7.202 -12.677 599 HB2 LYS 79 HB2 LYS 79 -5.155 -10.074 -11.677 600 HB3 LYS 79 HB3 LYS 79 -6.251 -9.359 -12.829 601 HG2 LYS 79 HG2 LYS 79 -4.281 -8.888 -14.350 602 HG3 LYS 79 HG3 LYS 79 -3.280 -9.794 -13.208 603 HD2 LYS 79 HD2 LYS 79 -3.871 -11.193 -15.074 604 HD3 LYS 79 HD3 LYS 79 -4.600 -11.825 -13.595 605 HE2 LYS 79 HE2 LYS 79 -6.790 -11.018 -14.218 606 HE3 LYS 79 HE3 LYS 79 -6.123 -10.053 -15.554 607 HZ1 LYS 79 HZ1 LYS 79 -5.563 -12.005 -16.722 608 HZ2 LYS 79 HZ2 LYS 79 -5.891 -13.001 -15.464 609 HZ3 LYS 79 HZ3 LYS 79 -7.129 -12.230 -16.241 610 HA PRO 80 HA PRO 80 -8.334 -6.138 -10.056 611 HB2 PRO 80 HB2 PRO 80 -10.591 -6.985 -11.421 612 HB3 PRO 80 HB3 PRO 80 -9.658 -5.512 -11.834 613 HG2 PRO 80 HG2 PRO 80 -9.369 -8.275 -13.071 614 HG3 PRO 80 HG3 PRO 80 -9.602 -6.704 -13.914 615 HD2 PRO 80 HD2 PRO 80 -7.125 -7.655 -13.647 616 HD3 PRO 80 HD3 PRO 80 -7.448 -5.944 -13.274 617 H GLY 81 H GLY 81 -9.295 -7.147 -8.326 618 HA2 GLY 81 HA2 GLY 81 -10.008 -8.875 -6.923 619 HA3 GLY 81 HA3 GLY 81 -9.891 -10.039 -8.248 620 H SER 82 H SER 82 -7.439 -7.769 -6.841 621 HA SER 82 HA SER 82 -5.723 -10.078 -6.039 622 HB2 SER 82 HB2 SER 82 -5.030 -9.038 -8.193 623 HB3 SER 82 HB3 SER 82 -4.828 -7.490 -7.356 624 HG SER 82 HG SER 82 -3.393 -9.918 -7.044 625 H THR 83 H THR 83 -3.925 -9.207 -4.442 626 HA THR 83 HA THR 83 -5.071 -7.141 -2.614 627 HB THR 83 HB THR 83 -4.320 -8.602 -0.710 628 HG1 THR 83 HG1 THR 83 -4.474 -10.657 -2.674 629 HG21 THR 83 HG21 THR 83 -6.338 -9.986 -0.703 630 HG22 THR 83 HG22 THR 83 -6.706 -8.357 -1.286 631 HG23 THR 83 HG23 THR 83 -6.580 -9.703 -2.440 632 H VAL 84 H VAL 84 -3.653 -6.005 -1.303 633 HA VAL 84 HA VAL 84 -0.743 -6.252 -1.838 634 HB VAL 84 HB VAL 84 -0.598 -3.783 -2.229 635 HG11 VAL 84 HG11 VAL 84 -2.172 -5.286 -4.342 636 HG12 VAL 84 HG12 VAL 84 -1.144 -3.860 -4.583 637 HG13 VAL 84 HG13 VAL 84 -0.419 -5.391 -4.069 638 HG21 VAL 84 HG21 VAL 84 -2.796 -3.071 -1.354 639 HG22 VAL 84 HG22 VAL 84 -2.557 -2.550 -3.028 640 HG23 VAL 84 HG23 VAL 84 -3.609 -3.930 -2.676 641 H ILE 85 H ILE 85 0.607 -5.009 -0.550 642 HA ILE 85 HA ILE 85 -0.424 -3.980 2.023 643 HB ILE 85 HB ILE 85 2.203 -4.625 2.626 644 HG12 ILE 85 HG12 ILE 85 2.456 -7.043 2.303 645 HG13 ILE 85 HG13 ILE 85 1.066 -7.085 1.226 646 HG21 ILE 85 HG21 ILE 85 -0.299 -6.205 3.270 647 HG22 ILE 85 HG22 ILE 85 1.247 -6.234 4.151 648 HG23 ILE 85 HG23 ILE 85 0.308 -4.750 4.114 649 HD11 ILE 85 HD11 ILE 85 3.592 -5.452 0.721 650 HD12 ILE 85 HD12 ILE 85 3.322 -7.092 0.089 651 HD13 ILE 85 HD13 ILE 85 2.288 -5.758 -0.439 652 H ALA 86 H ALA 86 0.728 -2.286 2.968 653 HA ALA 86 HA ALA 86 1.525 -0.286 1.111 654 HB1 ALA 86 HB1 ALA 86 0.385 0.128 3.309 655 HB2 ALA 86 HB2 ALA 86 1.866 -0.350 4.149 656 HB3 ALA 86 HB3 ALA 86 1.856 1.096 3.119 657 H GLY 87 H GLY 87 3.508 0.821 0.892 658 HA2 GLY 87 HA2 GLY 87 5.850 1.057 0.876 659 HA3 GLY 87 HA3 GLY 87 6.017 -0.350 1.934 660 H SER 88 H SER 88 4.005 -1.227 -0.634 661 HA SER 88 HA SER 88 6.194 -2.500 -2.148 662 HB2 SER 88 HB2 SER 88 3.277 -2.598 -2.912 663 HB3 SER 88 HB3 SER 88 4.603 -3.719 -3.309 664 HG SER 88 HG SER 88 3.199 -3.409 -0.885 665 H ILE 89 H ILE 89 6.578 -2.103 -4.401 666 HA ILE 89 HA ILE 89 5.840 0.649 -5.321 667 HB ILE 89 HB ILE 89 8.082 -0.951 -6.520 668 HG12 ILE 89 HG12 ILE 89 8.663 -1.041 -4.160 669 HG13 ILE 89 HG13 ILE 89 9.750 -0.017 -5.064 670 HG21 ILE 89 HG21 ILE 89 7.519 2.036 -6.206 671 HG22 ILE 89 HG22 ILE 89 8.991 1.350 -6.919 672 HG23 ILE 89 HG23 ILE 89 7.433 1.075 -7.694 673 HD11 ILE 89 HD11 ILE 89 8.759 2.000 -4.135 674 HD12 ILE 89 HD12 ILE 89 7.493 1.051 -3.313 675 HD13 ILE 89 HD13 ILE 89 9.189 0.893 -2.826 676 H ASN 90 H ASN 90 5.023 0.973 -7.422 677 HA ASN 90 HA ASN 90 3.830 -1.437 -8.721 678 HB2 ASN 90 HB2 ASN 90 2.295 0.315 -7.709 679 HB3 ASN 90 HB3 ASN 90 2.991 1.498 -8.809 680 HD21 ASN 90 HD22 ASN 90 1.570 1.843 -10.475 681 HD22 ASN 90 HD21 ASN 90 0.700 0.555 -11.280 682 H GLN 91 H GLN 91 4.073 -1.838 -10.970 683 HA GLN 91 HA GLN 91 5.292 0.238 -12.669 684 HB2 GLN 91 HB2 GLN 91 7.107 -1.137 -11.427 685 HB3 GLN 91 HB3 GLN 91 6.616 -2.476 -12.442 686 HG2 GLN 91 HG2 GLN 91 8.481 -1.551 -13.525 687 HG3 GLN 91 HG3 GLN 91 7.112 -0.968 -14.472 688 HE21 GLN 91 HE22 GLN 91 9.058 0.007 -11.581 689 HE22 GLN 91 HE21 GLN 91 9.002 1.738 -11.940 690 H ASN 92 H ASN 92 4.023 0.283 -14.381 691 HA ASN 92 HA ASN 92 4.135 -0.957 -16.617 692 HB2 ASN 92 HB2 ASN 92 3.426 -3.194 -15.784 693 HB3 ASN 92 HB3 ASN 92 1.875 -2.487 -15.308 694 HD21 ASN 92 HD22 ASN 92 0.517 -3.576 -16.713 695 HD22 ASN 92 HD21 ASN 92 0.802 -3.611 -18.460 696 H GLY 93 H GLY 93 1.341 -0.222 -14.447 697 HA2 GLY 93 HA2 GLY 93 0.514 2.108 -16.030 698 HA3 GLY 93 HA3 GLY 93 -0.551 0.709 -16.103 699 H SER 94 H SER 94 -1.876 2.710 -15.114 700 HA SER 94 HA SER 94 -1.522 2.912 -12.197 701 HB2 SER 94 HB2 SER 94 -3.338 4.594 -12.322 702 HB3 SER 94 HB3 SER 94 -1.926 4.965 -13.319 703 HG SER 94 HG SER 94 -3.753 5.350 -14.504 704 H LEU 95 H LEU 95 -2.758 2.017 -10.647 705 HA LEU 95 HA LEU 95 -5.091 0.338 -11.478 706 HB2 LEU 95 HB2 LEU 95 -3.329 -0.219 -9.112 707 HB3 LEU 95 HB3 LEU 95 -4.485 -1.278 -9.875 708 HG LEU 95 HG LEU 95 -1.737 -0.473 -10.927 709 HD11 LEU 95 HD11 LEU 95 -1.291 -2.898 -10.419 710 HD12 LEU 95 HD12 LEU 95 -1.681 -1.952 -8.983 711 HD13 LEU 95 HD13 LEU 95 -2.899 -3.027 -9.719 712 HD21 LEU 95 HD21 LEU 95 -3.730 -2.497 -12.013 713 HD22 LEU 95 HD22 LEU 95 -3.332 -0.948 -12.788 714 HD23 LEU 95 HD23 LEU 95 -2.081 -2.177 -12.626 715 H LEU 96 H LEU 96 -6.593 -0.200 -9.747 716 HA LEU 96 HA LEU 96 -7.172 2.108 -7.929 717 HB2 LEU 96 HB2 LEU 96 -8.591 1.702 -9.957 718 HB3 LEU 96 HB3 LEU 96 -9.082 0.160 -9.272 719 HG LEU 96 HG LEU 96 -9.564 2.806 -7.837 720 HD11 LEU 96 HD11 LEU 96 -11.399 1.265 -9.725 721 HD12 LEU 96 HD12 LEU 96 -11.814 2.741 -8.827 722 HD13 LEU 96 HD13 LEU 96 -10.590 2.803 -10.102 723 HD21 LEU 96 HD21 LEU 96 -9.851 1.095 -6.300 724 HD22 LEU 96 HD22 LEU 96 -11.461 1.550 -6.854 725 HD23 LEU 96 HD23 LEU 96 -10.712 0.064 -7.476 726 H ILE 97 H ILE 97 -6.790 1.658 -5.847 727 HA ILE 97 HA ILE 97 -7.313 -1.080 -4.805 728 HB ILE 97 HB ILE 97 -5.726 1.112 -3.433 729 HG12 ILE 97 HG12 ILE 97 -3.755 -0.519 -4.157 730 HG13 ILE 97 HG13 ILE 97 -4.798 -0.853 -5.536 731 HG21 ILE 97 HG21 ILE 97 -5.758 -1.920 -3.088 732 HG22 ILE 97 HG22 ILE 97 -4.813 -0.761 -2.137 733 HG23 ILE 97 HG23 ILE 97 -6.572 -0.761 -2.018 734 HD11 ILE 97 HD11 ILE 97 -3.108 0.911 -5.954 735 HD12 ILE 97 HD12 ILE 97 -4.733 1.563 -6.147 736 HD13 ILE 97 HD13 ILE 97 -3.807 1.909 -4.668 737 H CYS 98 H CYS 98 -9.098 -1.398 -3.598 738 HA CYS 98 HA CYS 98 -10.388 0.916 -2.234 739 HB2 CYS 98 HB2 CYS 98 -12.147 -0.695 -1.596 740 HB3 CYS 98 HB3 CYS 98 -11.986 -0.478 -3.343 741 HG CYS 98 HG CYS 98 -10.370 -2.807 -1.694 742 H ALA 99 H ALA 99 -9.749 1.437 -0.231 743 HA ALA 99 HA ALA 99 -7.727 -0.180 1.071 744 HB1 ALA 99 HB1 ALA 99 -9.210 2.312 2.027 745 HB2 ALA 99 HB2 ALA 99 -7.718 1.644 2.722 746 HB3 ALA 99 HB3 ALA 99 -7.708 2.302 1.074 747 H THR 100 H THR 100 -7.844 -1.033 3.226 748 HA THR 100 HA THR 100 -10.567 -1.415 4.376 749 HB THR 100 HB THR 100 -10.104 -3.307 2.840 750 HG1 THR 100 HG1 THR 100 -10.731 -4.857 4.305 751 HG21 THR 100 HG21 THR 100 -8.448 -4.884 3.166 752 HG22 THR 100 HG22 THR 100 -7.563 -3.421 3.606 753 HG23 THR 100 HG23 THR 100 -8.221 -4.467 4.870 754 H HIS 101 H HIS 101 -7.240 -0.848 4.974 755 HA HIS 101 HA HIS 101 -7.954 -0.580 7.822 756 HB2 HIS 101 HB2 HIS 101 -5.344 -1.774 6.808 757 HB3 HIS 101 HB3 HIS 101 -5.739 -1.421 8.487 758 HD1 HIS 101 HD1 HIS 101 -5.842 -4.206 6.096 759 HD2 HIS 101 HD2 HIS 101 -8.154 -2.846 9.341 760 HE1 HIS 101 HE1 HIS 101 -7.317 -6.177 6.815 761 H VAL 102 H VAL 102 -7.066 1.265 8.788 762 HA VAL 102 HA VAL 102 -5.762 3.279 7.089 763 HB VAL 102 HB VAL 102 -5.509 4.598 9.135 764 HG11 VAL 102 HG11 VAL 102 -8.283 3.462 8.728 765 HG12 VAL 102 HG12 VAL 102 -7.873 5.044 9.439 766 HG13 VAL 102 HG13 VAL 102 -7.468 4.710 7.741 767 HG21 VAL 102 HG21 VAL 102 -6.929 2.394 10.647 768 HG22 VAL 102 HG22 VAL 102 -5.225 2.859 10.850 769 HG23 VAL 102 HG23 VAL 102 -6.510 4.001 11.247 770 H GLY 103 H GLY 103 -3.537 4.256 8.003 771 HA2 GLY 103 HA2 GLY 103 -1.693 2.153 7.206 772 HA3 GLY 103 HA3 GLY 103 -1.263 3.761 7.697 773 H ALA 104 H ALA 104 -2.423 3.751 10.339 774 HA ALA 104 HA ALA 104 -0.542 2.326 11.948 775 HB1 ALA 104 HB1 ALA 104 -3.272 3.553 12.543 776 HB2 ALA 104 HB2 ALA 104 -2.109 3.043 13.771 777 HB3 ALA 104 HB3 ALA 104 -1.690 4.361 12.659 778 H ASP 105 H ASP 105 -3.753 1.443 10.841 779 HA ASP 105 HA ASP 105 -4.004 -0.951 12.516 780 HB2 ASP 105 HB2 ASP 105 -5.881 0.661 11.979 781 HB3 ASP 105 HB3 ASP 105 -5.905 -0.034 10.359 782 H THR 106 H THR 106 -2.323 -0.376 9.676 783 HA THR 106 HA THR 106 -2.941 -2.733 8.143 784 HB THR 106 HB THR 106 -0.772 -2.398 7.018 785 HG1 THR 106 HG1 THR 106 -0.328 -0.096 8.498 786 HG21 THR 106 HG21 THR 106 -2.355 0.132 7.297 787 HG22 THR 106 HG22 THR 106 -1.149 -0.215 6.038 788 HG23 THR 106 HG23 THR 106 -2.641 -1.181 6.160 789 H THR 107 H THR 107 -1.682 -4.602 7.774 790 HA THR 107 HA THR 107 -0.705 -5.969 10.103 791 HB THR 107 HB THR 107 -0.268 -6.600 7.162 792 HG1 THR 107 HG1 THR 107 -2.110 -7.645 9.040 793 HG21 THR 107 HG21 THR 107 -0.079 -8.969 7.979 794 HG22 THR 107 HG22 THR 107 1.287 -7.951 8.448 795 HG23 THR 107 HG23 THR 107 0.040 -8.350 9.646 796 H LEU 108 H LEU 108 1.034 -4.172 7.552 797 HA LEU 108 HA LEU 108 3.697 -4.635 8.269 798 HB2 LEU 108 HB2 LEU 108 2.636 -3.263 6.338 799 HB3 LEU 108 HB3 LEU 108 2.445 -1.960 7.498 800 HG LEU 108 HG LEU 108 5.047 -2.208 7.871 801 HD11 LEU 108 HD11 LEU 108 4.628 -3.546 5.164 802 HD12 LEU 108 HD12 LEU 108 6.194 -2.971 5.790 803 HD13 LEU 108 HD13 LEU 108 5.342 -4.312 6.602 804 HD21 LEU 108 HD21 LEU 108 3.898 -1.178 5.244 805 HD22 LEU 108 HD22 LEU 108 3.977 -0.304 6.796 806 HD23 LEU 108 HD23 LEU 108 5.469 -0.733 5.936 807 H SER 109 H SER 109 1.477 -2.123 9.584 808 HA SER 109 HA SER 109 3.217 -1.163 11.624 809 HB2 SER 109 HB2 SER 109 0.235 -1.022 11.156 810 HB3 SER 109 HB3 SER 109 0.993 -0.292 12.574 811 HG SER 109 HG SER 109 0.786 0.765 10.207 812 H GLN 110 H GLN 110 0.888 -3.868 11.698 813 HA GLN 110 HA GLN 110 1.145 -4.381 14.545 814 HB2 GLN 110 HB2 GLN 110 -0.750 -5.210 13.241 815 HB3 GLN 110 HB3 GLN 110 0.295 -6.222 12.288 816 HG2 GLN 110 HG2 GLN 110 -0.573 -7.724 13.773 817 HG3 GLN 110 HG3 GLN 110 0.983 -7.391 14.508 818 HE21 GLN 110 HE22 GLN 110 -2.491 -6.662 14.598 819 HE22 GLN 110 HE21 GLN 110 -2.481 -6.063 16.251 820 H ILE 111 H ILE 111 2.940 -5.642 11.684 821 HA ILE 111 HA ILE 111 4.510 -7.565 13.049 822 HB ILE 111 HB ILE 111 5.023 -5.937 10.539 823 HG12 ILE 111 HG12 ILE 111 4.433 -8.914 10.881 824 HG13 ILE 111 HG13 ILE 111 3.160 -7.721 10.687 825 HG21 ILE 111 HG21 ILE 111 6.717 -8.237 11.619 826 HG22 ILE 111 HG22 ILE 111 6.874 -7.523 10.002 827 HG23 ILE 111 HG23 ILE 111 7.251 -6.556 11.412 828 HD11 ILE 111 HD11 ILE 111 4.109 -7.030 8.495 829 HD12 ILE 111 HD12 ILE 111 5.322 -8.327 8.631 830 HD13 ILE 111 HD13 ILE 111 3.605 -8.732 8.545 831 H VAL 112 H VAL 112 5.423 -4.131 12.357 832 HA VAL 112 HA VAL 112 7.777 -4.261 13.933 833 HB VAL 112 HB VAL 112 7.782 -1.814 14.034 834 HG11 VAL 112 HG11 VAL 112 7.123 -2.870 11.262 835 HG12 VAL 112 HG12 VAL 112 8.104 -1.445 11.684 836 HG13 VAL 112 HG13 VAL 112 8.686 -3.061 12.096 837 HG21 VAL 112 HG21 VAL 112 5.344 -1.369 14.187 838 HG22 VAL 112 HG22 VAL 112 6.132 -0.474 12.889 839 HG23 VAL 112 HG23 VAL 112 5.163 -1.911 12.501 840 H LYS 113 H LYS 113 4.462 -3.780 15.088 841 HA LYS 113 HA LYS 113 5.321 -3.037 17.794 842 HB2 LYS 113 HB2 LYS 113 2.668 -4.037 16.696 843 HB3 LYS 113 HB3 LYS 113 2.961 -3.644 18.399 844 HG2 LYS 113 HG2 LYS 113 3.580 -1.334 17.809 845 HG3 LYS 113 HG3 LYS 113 3.390 -1.684 16.105 846 HD2 LYS 113 HD2 LYS 113 1.419 -0.571 16.681 847 HD3 LYS 113 HD3 LYS 113 0.938 -2.275 16.596 848 HE2 LYS 113 HE2 LYS 113 1.146 -2.476 19.034 849 HE3 LYS 113 HE3 LYS 113 1.806 -0.840 19.138 850 HZ1 LYS 113 HZ1 LYS 113 -0.924 -1.392 18.119 851 HZ2 LYS 113 HZ2 LYS 113 -0.591 -0.972 19.687 852 HZ3 LYS 113 HZ3 LYS 113 -0.251 0.070 18.476 853 H LEU 114 H LEU 114 4.306 -6.167 16.280 854 HA LEU 114 HA LEU 114 4.574 -7.756 18.603 855 HB2 LEU 114 HB2 LEU 114 4.614 -8.142 15.607 856 HB3 LEU 114 HB3 LEU 114 5.082 -9.508 16.619 857 HG LEU 114 HG LEU 114 2.473 -8.006 16.824 858 HD11 LEU 114 HD11 LEU 114 3.076 -10.636 15.414 859 HD12 LEU 114 HD12 LEU 114 1.469 -9.913 15.619 860 HD13 LEU 114 HD13 LEU 114 2.685 -9.095 14.623 861 HD21 LEU 114 HD21 LEU 114 1.710 -10.048 18.053 862 HD22 LEU 114 HD22 LEU 114 3.332 -10.754 17.879 863 HD23 LEU 114 HD23 LEU 114 3.090 -9.317 18.882 864 H VAL 115 H VAL 115 7.028 -6.861 16.150 865 HA VAL 115 HA VAL 115 9.078 -8.464 17.448 866 HB VAL 115 HB VAL 115 8.895 -7.806 14.959 867 HG11 VAL 115 HG11 VAL 115 10.599 -5.467 15.861 868 HG12 VAL 115 HG12 VAL 115 10.126 -5.905 14.205 869 HG13 VAL 115 HG13 VAL 115 8.906 -5.335 15.363 870 HG21 VAL 115 HG21 VAL 115 10.703 -9.160 15.935 871 HG22 VAL 115 HG22 VAL 115 11.297 -8.077 14.670 872 HG23 VAL 115 HG23 VAL 115 11.586 -7.680 16.378 873 H GLU 116 H GLU 116 8.042 -5.139 17.860 874 HA GLU 116 HA GLU 116 10.530 -4.329 19.236 875 HB2 GLU 116 HB2 GLU 116 9.243 -2.700 17.898 876 HB3 GLU 116 HB3 GLU 116 7.881 -2.859 19.021 877 HG2 GLU 116 HG2 GLU 116 9.343 -2.014 20.856 878 HG3 GLU 116 HG3 GLU 116 10.689 -1.883 19.720 879 H GLU 117 H GLU 117 7.189 -5.259 20.177 880 HA GLU 117 HA GLU 117 7.648 -4.768 23.025 881 HB2 GLU 117 HB2 GLU 117 5.386 -6.071 21.468 882 HB3 GLU 117 HB3 GLU 117 5.333 -5.679 23.186 883 HG2 GLU 117 HG2 GLU 117 5.849 -3.515 21.080 884 HG3 GLU 117 HG3 GLU 117 4.254 -4.055 21.506 885 H ALA 118 H ALA 118 8.353 -7.329 20.906 886 HA ALA 118 HA ALA 118 8.305 -9.534 22.771 887 HB1 ALA 118 HB1 ALA 118 10.053 -9.041 20.318 888 HB2 ALA 118 HB2 ALA 118 9.895 -10.582 21.185 889 HB3 ALA 118 HB3 ALA 118 8.494 -9.880 20.362 890 H GLN 119 H GLN 119 11.127 -7.506 21.723 891 HA GLN 119 HA GLN 119 12.794 -8.313 23.818 892 HB2 GLN 119 HB2 GLN 119 12.838 -5.927 21.972 893 HB3 GLN 119 HB3 GLN 119 14.117 -6.235 23.100 894 HG2 GLN 119 HG2 GLN 119 15.148 -7.572 21.661 895 HG3 GLN 119 HG3 GLN 119 13.811 -8.721 21.806 896 HE21 GLN 119 HE22 GLN 119 12.561 -9.056 19.938 897 HE22 GLN 119 HE21 GLN 119 12.110 -7.624 19.045 Start of MODEL 25 1 H SER 1 H SER 1 19.373 -1.794 14.015 2 HA SER 1 HA SER 1 16.567 -1.218 14.630 3 HB2 SER 1 HB2 SER 1 19.056 0.520 14.892 4 HB3 SER 1 HB3 SER 1 17.458 0.892 15.559 5 HG SER 1 HG SER 1 18.684 -0.014 17.156 6 H GLU 2 H GLU 2 18.869 -0.170 12.162 7 HA GLU 2 HA GLU 2 17.307 1.817 10.826 8 HB2 GLU 2 HB2 GLU 2 19.762 1.273 10.525 9 HB3 GLU 2 HB3 GLU 2 19.308 -0.211 9.704 10 HG2 GLU 2 HG2 GLU 2 18.215 1.099 7.920 11 HG3 GLU 2 HG3 GLU 2 18.572 2.599 8.785 12 H ALA 3 H ALA 3 17.684 -1.683 10.188 13 HA ALA 3 HA ALA 3 15.598 -2.050 8.380 14 HB1 ALA 3 HB1 ALA 3 15.828 -4.431 8.987 15 HB2 ALA 3 HB2 ALA 3 17.403 -3.645 8.861 16 HB3 ALA 3 HB3 ALA 3 16.703 -3.992 10.458 17 H LEU 4 H LEU 4 15.309 -2.109 11.979 18 HA LEU 4 HA LEU 4 12.478 -2.614 12.021 19 HB2 LEU 4 HB2 LEU 4 13.970 -2.951 13.968 20 HB3 LEU 4 HB3 LEU 4 14.304 -1.224 14.013 21 HG LEU 4 HG LEU 4 11.986 -0.708 14.626 22 HD11 LEU 4 HD11 LEU 4 11.715 -3.728 14.693 23 HD12 LEU 4 HD12 LEU 4 10.529 -2.579 15.383 24 HD13 LEU 4 HD13 LEU 4 10.836 -2.608 13.632 25 HD21 LEU 4 HD21 LEU 4 13.312 -2.800 16.393 26 HD22 LEU 4 HD22 LEU 4 13.652 -1.049 16.391 27 HD23 LEU 4 HD23 LEU 4 12.056 -1.642 16.895 28 H ALA 5 H ALA 5 14.298 0.485 11.564 29 HA ALA 5 HA ALA 5 11.938 2.134 11.991 30 HB1 ALA 5 HB1 ALA 5 14.233 2.984 12.381 31 HB2 ALA 5 HB2 ALA 5 14.640 2.697 10.679 32 HB3 ALA 5 HB3 ALA 5 13.416 3.904 11.109 33 H LYS 6 H LYS 6 13.573 0.529 9.244 34 HA LYS 6 HA LYS 6 12.647 1.887 7.130 35 HB2 LYS 6 HB2 LYS 6 14.226 -0.154 7.354 36 HB3 LYS 6 HB3 LYS 6 12.798 -1.152 7.066 37 HG2 LYS 6 HG2 LYS 6 12.474 -0.055 4.869 38 HG3 LYS 6 HG3 LYS 6 13.788 1.084 5.237 39 HD2 LYS 6 HD2 LYS 6 15.310 -0.975 5.468 40 HD3 LYS 6 HD3 LYS 6 13.999 -1.911 4.718 41 HE2 LYS 6 HE2 LYS 6 14.084 -0.355 2.743 42 HE3 LYS 6 HE3 LYS 6 15.367 0.552 3.552 43 HZ1 LYS 6 HZ1 LYS 6 15.536 -2.196 2.499 44 HZ2 LYS 6 HZ2 LYS 6 16.429 -0.902 2.077 45 HZ3 LYS 6 HZ3 LYS 6 16.661 -1.600 3.555 46 H LEU 7 H LEU 7 10.686 -0.576 8.794 47 HA LEU 7 HA LEU 7 8.599 -0.818 6.894 48 HB2 LEU 7 HB2 LEU 7 8.749 -1.126 9.893 49 HB3 LEU 7 HB3 LEU 7 7.237 -1.384 9.049 50 HG LEU 7 HG LEU 7 8.412 -3.472 9.581 51 HD11 LEU 7 HD11 LEU 7 8.192 -2.997 6.580 52 HD12 LEU 7 HD12 LEU 7 8.178 -4.565 7.412 53 HD13 LEU 7 HD13 LEU 7 6.867 -3.418 7.693 54 HD21 LEU 7 HD21 LEU 7 10.756 -2.732 9.286 55 HD22 LEU 7 HD22 LEU 7 10.373 -4.227 8.423 56 HD23 LEU 7 HD23 LEU 7 10.503 -2.712 7.517 57 H ILE 8 H ILE 8 8.827 1.566 9.576 58 HA ILE 8 HA ILE 8 6.320 2.862 8.817 59 HB ILE 8 HB ILE 8 8.580 3.734 10.630 60 HG12 ILE 8 HG12 ILE 8 7.414 1.776 11.461 61 HG13 ILE 8 HG13 ILE 8 7.074 3.176 12.461 62 HG21 ILE 8 HG21 ILE 8 5.896 5.080 10.141 63 HG22 ILE 8 HG22 ILE 8 6.952 5.418 11.527 64 HG23 ILE 8 HG23 ILE 8 7.513 5.766 9.889 65 HD11 ILE 8 HD11 ILE 8 5.065 1.845 12.198 66 HD12 ILE 8 HD12 ILE 8 4.824 3.380 11.350 67 HD13 ILE 8 HD13 ILE 8 5.181 1.897 10.435 68 H SER 9 H SER 9 9.653 3.247 7.773 69 HA SER 9 HA SER 9 9.163 5.837 6.455 70 HB2 SER 9 HB2 SER 9 11.562 3.970 6.456 71 HB3 SER 9 HB3 SER 9 11.491 5.545 5.655 72 HG SER 9 HG SER 9 12.470 5.563 7.743 73 H LEU 10 H LEU 10 8.928 2.464 5.695 74 HA LEU 10 HA LEU 10 9.040 2.527 2.852 75 HB2 LEU 10 HB2 LEU 10 8.294 0.654 5.033 76 HB3 LEU 10 HB3 LEU 10 7.419 0.359 3.563 77 HG LEU 10 HG LEU 10 10.436 0.696 3.475 78 HD11 LEU 10 HD11 LEU 10 8.892 -1.864 4.092 79 HD12 LEU 10 HD12 LEU 10 10.618 -1.754 3.668 80 HD13 LEU 10 HD13 LEU 10 10.040 -1.033 5.167 81 HD21 LEU 10 HD21 LEU 10 9.076 0.617 1.353 82 HD22 LEU 10 HD22 LEU 10 10.182 -0.764 1.512 83 HD23 LEU 10 HD23 LEU 10 8.452 -0.971 1.860 84 H GLN 11 H GLN 11 6.266 2.811 5.068 85 HA GLN 11 HA GLN 11 4.113 2.804 3.236 86 HB2 GLN 11 HB2 GLN 11 4.568 4.472 5.734 87 HB3 GLN 11 HB3 GLN 11 3.033 4.407 4.860 88 HG2 GLN 11 HG2 GLN 11 2.834 2.002 5.284 89 HG3 GLN 11 HG3 GLN 11 4.400 1.978 6.112 90 HE21 GLN 11 HE22 GLN 11 0.992 2.923 6.400 91 HE22 GLN 11 HE21 GLN 11 1.162 3.439 8.086 92 H ALA 12 H ALA 12 3.406 4.173 1.673 93 HA ALA 12 HA ALA 12 5.109 6.041 0.528 94 HB1 ALA 12 HB1 ALA 12 2.095 5.880 0.188 95 HB2 ALA 12 HB2 ALA 12 3.283 6.438 -1.005 96 HB3 ALA 12 HB3 ALA 12 3.243 4.726 -0.536 97 H THR 13 H THR 13 2.943 6.684 3.102 98 HA THR 13 HA THR 13 2.702 8.411 4.525 99 HB THR 13 HB THR 13 4.762 9.990 3.006 100 HG1 THR 13 HG1 THR 13 6.224 8.977 4.410 101 HG21 THR 13 HG21 THR 13 3.630 11.305 4.763 102 HG22 THR 13 HG22 THR 13 3.883 9.993 5.933 103 HG23 THR 13 HG23 THR 13 5.267 10.900 5.281 104 H GLU 14 H GLU 14 2.368 9.167 1.135 105 HA GLU 14 HA GLU 14 -0.014 10.783 1.880 106 HB2 GLU 14 HB2 GLU 14 0.308 12.356 0.268 107 HB3 GLU 14 HB3 GLU 14 1.942 12.097 0.895 108 HG2 GLU 14 HG2 GLU 14 2.496 10.760 -1.097 109 HG3 GLU 14 HG3 GLU 14 0.837 10.865 -1.682 110 H ALA 15 H ALA 15 -1.853 10.616 0.431 111 HA ALA 15 HA ALA 15 -1.902 8.230 -1.326 112 HB1 ALA 15 HB1 ALA 15 -3.804 8.695 1.014 113 HB2 ALA 15 HB2 ALA 15 -3.899 7.374 -0.172 114 HB3 ALA 15 HB3 ALA 15 -2.526 7.461 0.953 115 H THR 16 H THR 16 -3.497 8.245 -2.859 116 HA THR 16 HA THR 16 -4.817 10.876 -3.347 117 HB THR 16 HB THR 16 -4.025 8.736 -5.321 118 HG1 THR 16 HG1 THR 16 -2.370 10.006 -5.749 119 HG21 THR 16 HG21 THR 16 -5.079 11.573 -5.749 120 HG22 THR 16 HG22 THR 16 -4.431 10.514 -7.013 121 HG23 THR 16 HG23 THR 16 -5.927 10.072 -6.182 122 H ILE 17 H ILE 17 -6.900 10.937 -2.772 123 HA ILE 17 HA ILE 17 -8.547 8.456 -2.704 124 HB ILE 17 HB ILE 17 -9.168 11.200 -1.518 125 HG12 ILE 17 HG12 ILE 17 -7.966 8.762 -0.159 126 HG13 ILE 17 HG13 ILE 17 -7.184 10.318 -0.412 127 HG21 ILE 17 HG21 ILE 17 -11.171 9.810 -1.981 128 HG22 ILE 17 HG22 ILE 17 -10.446 8.466 -1.069 129 HG23 ILE 17 HG23 ILE 17 -10.924 9.981 -0.268 130 HD11 ILE 17 HD11 ILE 17 -9.544 9.767 1.429 131 HD12 ILE 17 HD12 ILE 17 -7.896 10.157 1.880 132 HD13 ILE 17 HD13 ILE 17 -8.890 11.389 1.073 133 H VAL 18 H VAL 18 -10.295 8.118 -4.089 134 HA VAL 18 HA VAL 18 -10.987 10.261 -6.028 135 HB VAL 18 HB VAL 18 -12.069 7.465 -5.786 136 HG11 VAL 18 HG11 VAL 18 -12.305 9.485 -8.051 137 HG12 VAL 18 HG12 VAL 18 -12.860 7.798 -8.106 138 HG13 VAL 18 HG13 VAL 18 -13.627 8.930 -6.999 139 HG21 VAL 18 HG21 VAL 18 -9.723 7.300 -6.319 140 HG22 VAL 18 HG22 VAL 18 -10.691 6.910 -7.741 141 HG23 VAL 18 HG23 VAL 18 -9.899 8.499 -7.619 142 H THR 19 H THR 19 -12.645 11.601 -5.773 143 HA THR 19 HA THR 19 -14.851 10.977 -3.847 144 HB THR 19 HB THR 19 -13.912 13.786 -4.496 145 HG1 THR 19 HG1 THR 19 -12.158 12.989 -3.634 146 HG21 THR 19 HG21 THR 19 -15.406 12.565 -2.140 147 HG22 THR 19 HG22 THR 19 -14.816 14.238 -2.223 148 HG23 THR 19 HG23 THR 19 -16.057 13.698 -3.352 149 H LEU 20 H LEU 20 -16.935 11.750 -4.383 150 HA LEU 20 HA LEU 20 -17.365 12.331 -7.276 151 HB2 LEU 20 HB2 LEU 20 -19.211 11.028 -5.254 152 HB3 LEU 20 HB3 LEU 20 -19.555 11.276 -6.949 153 HG LEU 20 HG LEU 20 -17.255 9.549 -5.912 154 HD11 LEU 20 HD11 LEU 20 -18.758 7.638 -6.531 155 HD12 LEU 20 HD12 LEU 20 -19.257 8.576 -5.107 156 HD13 LEU 20 HD13 LEU 20 -20.102 8.808 -6.616 157 HD21 LEU 20 HD21 LEU 20 -18.471 9.902 -8.677 158 HD22 LEU 20 HD22 LEU 20 -16.820 10.252 -8.163 159 HD23 LEU 20 HD23 LEU 20 -17.371 8.575 -8.221 160 H ASP 21 H ASP 21 -17.629 14.436 -7.628 161 HA ASP 21 HA ASP 21 -18.737 16.161 -5.482 162 HB2 ASP 21 HB2 ASP 21 -16.565 16.400 -7.439 163 HB3 ASP 21 HB3 ASP 21 -17.561 17.823 -7.423 164 H SER 22 H SER 22 -20.146 14.825 -7.868 165 HA SER 22 HA SER 22 -22.264 16.959 -8.075 166 HB2 SER 22 HB2 SER 22 -21.384 15.252 -10.441 167 HB3 SER 22 HB3 SER 22 -22.884 16.150 -10.395 168 HG SER 22 HG SER 22 -21.576 18.075 -10.050 169 H ASP 23 H ASP 23 -21.640 13.683 -9.110 170 HA ASP 23 HA ASP 23 -23.209 12.303 -7.205 171 HB2 ASP 23 HB2 ASP 23 -24.167 12.371 -10.115 172 HB3 ASP 23 HB3 ASP 23 -24.611 11.106 -8.977 173 H ASN 24 H ASN 24 -23.178 9.854 -8.389 174 HA ASN 24 HA ASN 24 -20.467 9.063 -8.603 175 HB2 ASN 24 HB2 ASN 24 -22.695 7.747 -8.151 176 HB3 ASN 24 HB3 ASN 24 -22.708 7.494 -9.902 177 HD21 ASN 24 HD22 ASN 24 -19.795 7.175 -10.078 178 HD22 ASN 24 HD21 ASN 24 -19.602 5.560 -9.407 179 H ILE 25 H ILE 25 -22.346 10.616 -11.043 180 HA ILE 25 HA ILE 25 -20.986 9.749 -13.375 181 HB ILE 25 HB ILE 25 -22.090 11.579 -14.442 182 HG12 ILE 25 HG12 ILE 25 -22.460 12.801 -11.675 183 HG13 ILE 25 HG13 ILE 25 -21.566 13.463 -13.042 184 HG21 ILE 25 HG21 ILE 25 -23.996 10.723 -12.229 185 HG22 ILE 25 HG22 ILE 25 -24.359 11.067 -13.929 186 HG23 ILE 25 HG23 ILE 25 -23.442 9.612 -13.506 187 HD11 ILE 25 HD11 ILE 25 -23.717 13.695 -14.304 188 HD12 ILE 25 HD12 ILE 25 -24.583 13.208 -12.825 189 HD13 ILE 25 HD13 ILE 25 -23.609 14.682 -12.833 190 H LEU 26 H LEU 26 -19.962 12.059 -10.888 191 HA LEU 26 HA LEU 26 -17.902 13.182 -12.755 192 HB2 LEU 26 HB2 LEU 26 -19.587 14.821 -12.195 193 HB3 LEU 26 HB3 LEU 26 -19.291 14.579 -10.471 194 HG LEU 26 HG LEU 26 -16.807 15.161 -12.004 195 HD11 LEU 26 HD11 LEU 26 -18.912 17.333 -11.813 196 HD12 LEU 26 HD12 LEU 26 -17.230 17.526 -12.341 197 HD13 LEU 26 HD13 LEU 26 -18.350 16.548 -13.314 198 HD21 LEU 26 HD21 LEU 26 -18.084 16.544 -9.627 199 HD22 LEU 26 HD22 LEU 26 -16.926 15.189 -9.533 200 HD23 LEU 26 HD23 LEU 26 -16.418 16.742 -10.201 201 H LEU 27 H LEU 27 -16.022 12.602 -12.323 202 HA LEU 27 HA LEU 27 -15.192 11.730 -9.576 203 HB2 LEU 27 HB2 LEU 27 -14.048 11.096 -12.284 204 HB3 LEU 27 HB3 LEU 27 -13.000 11.114 -10.869 205 HG LEU 27 HG LEU 27 -14.560 9.538 -9.695 206 HD11 LEU 27 HD11 LEU 27 -15.845 9.277 -12.448 207 HD12 LEU 27 HD12 LEU 27 -16.079 8.146 -11.094 208 HD13 LEU 27 HD13 LEU 27 -16.645 9.806 -10.946 209 HD21 LEU 27 HD21 LEU 27 -12.489 8.813 -10.807 210 HD22 LEU 27 HD22 LEU 27 -13.750 7.570 -10.866 211 HD23 LEU 27 HD23 LEU 27 -13.397 8.534 -12.316 212 H SER 28 H SER 28 -14.076 12.834 -8.311 213 HA SER 28 HA SER 28 -12.411 15.178 -9.115 214 HB2 SER 28 HB2 SER 28 -14.562 15.980 -8.342 215 HB3 SER 28 HB3 SER 28 -14.506 14.923 -6.925 216 HG SER 28 HG SER 28 -14.018 17.011 -6.404 217 H GLU 29 H GLU 29 -10.447 14.017 -8.849 218 HA GLU 29 HA GLU 29 -10.141 12.398 -6.408 219 HB2 GLU 29 HB2 GLU 29 -8.100 12.686 -8.597 220 HB3 GLU 29 HB3 GLU 29 -8.249 11.426 -7.337 221 HG2 GLU 29 HG2 GLU 29 -10.309 10.597 -8.322 222 HG3 GLU 29 HG3 GLU 29 -10.270 11.834 -9.578 223 H GLU 30 H GLU 30 -8.620 12.651 -4.878 224 HA GLU 30 HA GLU 30 -7.718 15.444 -4.276 225 HB2 GLU 30 HB2 GLU 30 -8.881 13.266 -2.485 226 HB3 GLU 30 HB3 GLU 30 -8.431 14.861 -1.943 227 HG2 GLU 30 HG2 GLU 30 -10.699 14.223 -3.889 228 HG3 GLU 30 HG3 GLU 30 -10.860 14.469 -2.159 229 H GLN 31 H GLN 31 -5.878 15.584 -2.770 230 HA GLN 31 HA GLN 31 -4.446 13.015 -2.240 231 HB2 GLN 31 HB2 GLN 31 -3.140 15.665 -2.946 232 HB3 GLN 31 HB3 GLN 31 -2.315 14.221 -2.341 233 HG2 GLN 31 HG2 GLN 31 -3.471 12.993 -4.342 234 HG3 GLN 31 HG3 GLN 31 -3.634 14.621 -5.044 235 HE21 GLN 31 HE22 GLN 31 -1.661 11.964 -4.349 236 HE22 GLN 31 HE21 GLN 31 -0.390 12.904 -3.737 237 H VAL 32 H VAL 32 -3.731 12.608 -0.281 238 HA VAL 32 HA VAL 32 -3.894 14.675 1.872 239 HB VAL 32 HB VAL 32 -5.126 13.230 3.321 240 HG11 VAL 32 HG11 VAL 32 -6.460 14.637 1.766 241 HG12 VAL 32 HG12 VAL 32 -6.640 13.236 0.688 242 HG13 VAL 32 HG13 VAL 32 -7.309 13.190 2.329 243 HG21 VAL 32 HG21 VAL 32 -4.328 10.997 2.551 244 HG22 VAL 32 HG22 VAL 32 -6.073 11.097 2.710 245 HG23 VAL 32 HG23 VAL 32 -5.331 11.163 1.093 246 H ASP 33 H ASP 33 -2.999 13.972 3.897 247 HA ASP 33 HA ASP 33 -0.534 12.328 3.731 248 HB2 ASP 33 HB2 ASP 33 -0.463 14.359 5.074 249 HB3 ASP 33 HB3 ASP 33 -1.804 13.805 6.064 250 H VAL 34 H VAL 34 -0.209 10.355 4.743 251 HA VAL 34 HA VAL 34 -2.384 8.575 4.765 252 HB VAL 34 HB VAL 34 0.007 8.042 4.334 253 HG11 VAL 34 HG11 VAL 34 0.229 7.803 7.365 254 HG12 VAL 34 HG12 VAL 34 1.446 7.312 6.181 255 HG13 VAL 34 HG13 VAL 34 1.028 9.025 6.358 256 HG21 VAL 34 HG21 VAL 34 -1.733 6.281 4.523 257 HG22 VAL 34 HG22 VAL 34 -0.112 5.742 4.985 258 HG23 VAL 34 HG23 VAL 34 -1.311 6.085 6.238 259 H GLU 35 H GLU 35 -1.587 10.660 7.423 260 HA GLU 35 HA GLU 35 -3.036 8.947 9.355 261 HB2 GLU 35 HB2 GLU 35 -1.123 10.901 9.668 262 HB3 GLU 35 HB3 GLU 35 -2.600 11.799 10.009 263 HG2 GLU 35 HG2 GLU 35 -1.775 10.941 12.084 264 HG3 GLU 35 HG3 GLU 35 -3.206 9.992 11.685 265 H LEU 36 H LEU 36 -3.985 11.091 6.871 266 HA LEU 36 HA LEU 36 -6.524 11.911 8.171 267 HB2 LEU 36 HB2 LEU 36 -5.281 12.785 5.547 268 HB3 LEU 36 HB3 LEU 36 -6.614 13.558 6.387 269 HG LEU 36 HG LEU 36 -3.714 13.474 7.318 270 HD11 LEU 36 HD11 LEU 36 -4.164 14.963 5.386 271 HD12 LEU 36 HD12 LEU 36 -5.447 15.768 6.312 272 HD13 LEU 36 HD13 LEU 36 -3.755 15.875 6.847 273 HD21 LEU 36 HD21 LEU 36 -5.167 13.512 9.283 274 HD22 LEU 36 HD22 LEU 36 -4.438 15.100 9.041 275 HD23 LEU 36 HD23 LEU 36 -6.132 14.832 8.576 276 H VAL 37 H VAL 37 -5.534 9.469 6.054 277 HA VAL 37 HA VAL 37 -8.135 9.265 4.647 278 HB VAL 37 HB VAL 37 -6.161 8.834 3.337 279 HG11 VAL 37 HG11 VAL 37 -5.581 6.464 5.171 280 HG12 VAL 37 HG12 VAL 37 -4.715 6.885 3.681 281 HG13 VAL 37 HG13 VAL 37 -4.627 7.961 5.077 282 HG21 VAL 37 HG21 VAL 37 -6.721 6.705 2.332 283 HG22 VAL 37 HG22 VAL 37 -7.701 6.247 3.738 284 HG23 VAL 37 HG23 VAL 37 -8.176 7.625 2.711 285 H GLN 38 H GLN 38 -9.628 7.647 4.975 286 HA GLN 38 HA GLN 38 -9.380 5.940 7.408 287 HB2 GLN 38 HB2 GLN 38 -11.697 6.296 7.902 288 HB3 GLN 38 HB3 GLN 38 -10.857 7.838 7.870 289 HG2 GLN 38 HG2 GLN 38 -11.800 8.326 5.643 290 HG3 GLN 38 HG3 GLN 38 -12.589 6.743 5.605 291 HE21 GLN 38 HE22 GLN 38 -14.028 6.538 7.872 292 HE22 GLN 38 HE21 GLN 38 -14.969 8.014 8.045 293 H ARG 39 H ARG 39 -10.965 3.972 7.268 294 HA ARG 39 HA ARG 39 -10.712 2.758 4.578 295 HB2 ARG 39 HB2 ARG 39 -11.356 0.756 5.389 296 HB3 ARG 39 HB3 ARG 39 -10.384 1.433 6.693 297 HG2 ARG 39 HG2 ARG 39 -12.479 2.020 7.896 298 HG3 ARG 39 HG3 ARG 39 -13.437 1.347 6.563 299 HD2 ARG 39 HD2 ARG 39 -12.400 -0.848 6.889 300 HD3 ARG 39 HD3 ARG 39 -11.459 -0.224 8.251 301 HE ARG 39 HE ARG 39 -14.466 -0.380 8.117 302 HH11 ARG 39 HH11 ARG 39 -11.559 -0.556 10.193 303 HH12 ARG 39 HH12 ARG 39 -12.582 -0.950 11.565 304 HH21 ARG 39 HH21 ARG 39 -15.555 -0.904 9.987 305 HH22 ARG 39 HH22 ARG 39 -14.625 -1.088 11.470 306 H GLY 40 H GLY 40 -12.553 2.115 3.163 307 HA2 GLY 40 HA2 GLY 40 -14.861 2.100 2.685 308 HA3 GLY 40 HA3 GLY 40 -15.142 3.431 3.799 309 H ASP 41 H ASP 41 -12.417 3.395 1.469 310 HA ASP 41 HA ASP 41 -13.800 5.148 -0.419 311 HB2 ASP 41 HB2 ASP 41 -11.378 6.021 1.206 312 HB3 ASP 41 HB3 ASP 41 -11.802 6.737 -0.350 313 H ILE 42 H ILE 42 -12.435 5.587 -2.309 314 HA ILE 42 HA ILE 42 -10.905 3.130 -3.103 315 HB ILE 42 HB ILE 42 -12.436 5.043 -4.873 316 HG12 ILE 42 HG12 ILE 42 -14.049 3.743 -3.635 317 HG13 ILE 42 HG13 ILE 42 -13.961 3.172 -5.287 318 HG21 ILE 42 HG21 ILE 42 -10.885 2.492 -5.496 319 HG22 ILE 42 HG22 ILE 42 -12.009 3.288 -6.619 320 HG23 ILE 42 HG23 ILE 42 -10.552 4.134 -6.085 321 HD11 ILE 42 HD11 ILE 42 -12.589 1.220 -4.520 322 HD12 ILE 42 HD12 ILE 42 -12.799 1.792 -2.842 323 HD13 ILE 42 HD13 ILE 42 -14.203 1.291 -3.793 324 H ILE 43 H ILE 43 -8.715 3.422 -3.317 325 HA ILE 43 HA ILE 43 -7.650 6.129 -3.650 326 HB ILE 43 HB ILE 43 -6.374 3.555 -2.668 327 HG12 ILE 43 HG12 ILE 43 -8.198 3.985 -1.145 328 HG13 ILE 43 HG13 ILE 43 -6.659 4.300 -0.372 329 HG21 ILE 43 HG21 ILE 43 -5.486 6.450 -2.367 330 HG22 ILE 43 HG22 ILE 43 -4.719 5.055 -1.583 331 HG23 ILE 43 HG23 ILE 43 -4.709 5.191 -3.340 332 HD11 ILE 43 HD11 ILE 43 -8.544 6.446 -1.441 333 HD12 ILE 43 HD12 ILE 43 -8.344 5.972 0.251 334 HD13 ILE 43 HD13 ILE 43 -6.994 6.731 -0.609 335 H LYS 44 H LYS 44 -6.623 6.696 -5.514 336 HA LYS 44 HA LYS 44 -5.896 4.780 -7.575 337 HB2 LYS 44 HB2 LYS 44 -5.022 7.685 -7.308 338 HB3 LYS 44 HB3 LYS 44 -4.997 6.724 -8.777 339 HG2 LYS 44 HG2 LYS 44 -7.495 7.515 -7.265 340 HG3 LYS 44 HG3 LYS 44 -6.815 8.428 -8.598 341 HD2 LYS 44 HD2 LYS 44 -7.791 5.556 -8.796 342 HD3 LYS 44 HD3 LYS 44 -8.767 6.958 -9.196 343 HE2 LYS 44 HE2 LYS 44 -6.291 6.001 -10.673 344 HE3 LYS 44 HE3 LYS 44 -7.978 5.986 -11.214 345 HZ1 LYS 44 HZ1 LYS 44 -7.072 7.860 -12.215 346 HZ2 LYS 44 HZ2 LYS 44 -7.800 8.542 -10.899 347 HZ3 LYS 44 HZ3 LYS 44 -6.170 8.284 -10.937 348 H VAL 45 H VAL 45 -3.954 3.875 -8.085 349 HA VAL 45 HA VAL 45 -1.498 5.204 -7.033 350 HB VAL 45 HB VAL 45 -2.061 3.016 -5.975 351 HG11 VAL 45 HG11 VAL 45 -1.188 1.793 -8.631 352 HG12 VAL 45 HG12 VAL 45 -1.541 0.935 -7.124 353 HG13 VAL 45 HG13 VAL 45 -2.842 1.782 -7.975 354 HG21 VAL 45 HG21 VAL 45 0.221 3.979 -5.947 355 HG22 VAL 45 HG22 VAL 45 0.240 2.210 -5.966 356 HG23 VAL 45 HG23 VAL 45 0.607 3.107 -7.451 357 H VAL 46 H VAL 46 0.092 5.722 -8.351 358 HA VAL 46 HA VAL 46 -0.327 5.509 -11.235 359 HB VAL 46 HB VAL 46 1.500 7.108 -11.423 360 HG11 VAL 46 HG11 VAL 46 -0.369 7.905 -9.171 361 HG12 VAL 46 HG12 VAL 46 0.516 8.971 -10.274 362 HG13 VAL 46 HG13 VAL 46 -0.767 7.925 -10.904 363 HG21 VAL 46 HG21 VAL 46 3.049 6.391 -9.705 364 HG22 VAL 46 HG22 VAL 46 2.573 8.060 -9.394 365 HG23 VAL 46 HG23 VAL 46 1.873 6.752 -8.428 366 HA PRO 47 HA PRO 47 2.927 2.539 -12.166 367 HB2 PRO 47 HB2 PRO 47 3.988 4.322 -14.304 368 HB3 PRO 47 HB3 PRO 47 3.334 2.657 -14.426 369 HG2 PRO 47 HG2 PRO 47 1.941 4.818 -15.351 370 HG3 PRO 47 HG3 PRO 47 1.130 3.412 -14.591 371 HD2 PRO 47 HD2 PRO 47 1.874 6.059 -13.341 372 HD3 PRO 47 HD3 PRO 47 0.330 5.159 -13.238 373 H GLY 48 H GLY 48 4.953 2.276 -11.220 374 HA2 GLY 48 HA2 GLY 48 6.979 2.827 -10.186 375 HA3 GLY 48 HA3 GLY 48 6.800 4.499 -10.698 376 H GLY 49 H GLY 49 3.888 4.044 -9.291 377 HA2 GLY 49 HA2 GLY 49 4.476 5.516 -6.932 378 HA3 GLY 49 HA3 GLY 49 2.950 4.733 -7.326 379 H LYS 50 H LYS 50 3.866 4.930 -4.728 380 HA LYS 50 HA LYS 50 4.491 2.096 -3.966 381 HB2 LYS 50 HB2 LYS 50 4.879 4.656 -2.372 382 HB3 LYS 50 HB3 LYS 50 5.232 3.014 -1.810 383 HG2 LYS 50 HG2 LYS 50 6.983 2.782 -3.523 384 HG3 LYS 50 HG3 LYS 50 6.637 4.411 -4.127 385 HD2 LYS 50 HD2 LYS 50 7.174 5.351 -1.881 386 HD3 LYS 50 HD3 LYS 50 7.560 3.714 -1.312 387 HE2 LYS 50 HE2 LYS 50 9.404 3.553 -2.908 388 HE3 LYS 50 HE3 LYS 50 9.009 5.137 -3.589 389 HZ1 LYS 50 HZ1 LYS 50 9.861 6.202 -1.726 390 HZ2 LYS 50 HZ2 LYS 50 9.500 4.978 -0.704 391 HZ3 LYS 50 HZ3 LYS 50 10.805 4.844 -1.663 392 H PHE 51 H PHE 51 3.212 1.103 -2.424 393 HA PHE 51 HA PHE 51 0.465 2.074 -2.265 394 HB2 PHE 51 HB2 PHE 51 1.809 -0.425 -1.248 395 HB3 PHE 51 HB3 PHE 51 0.111 -0.061 -0.956 396 HD1 PHE 51 HD1 PHE 51 -1.537 -0.041 -2.796 397 HD2 PHE 51 HD2 PHE 51 2.590 -1.050 -3.503 398 HE1 PHE 51 HE1 PHE 51 -2.135 -0.966 -5.024 399 HE2 PHE 51 HE2 PHE 51 2.000 -1.930 -5.736 400 HZ PHE 51 HZ PHE 51 -0.360 -1.887 -6.511 401 HA PRO 52 HA PRO 52 1.176 4.029 1.746 402 HB2 PRO 52 HB2 PRO 52 -1.218 5.271 2.107 403 HB3 PRO 52 HB3 PRO 52 -0.057 5.781 0.853 404 HG2 PRO 52 HG2 PRO 52 -2.497 4.023 0.521 405 HG3 PRO 52 HG3 PRO 52 -1.968 5.396 -0.498 406 HD2 PRO 52 HD2 PRO 52 -1.446 2.769 -1.125 407 HD3 PRO 52 HD3 PRO 52 -0.352 4.112 -1.571 408 H VAL 53 H VAL 53 -1.275 1.585 1.289 409 HA VAL 53 HA VAL 53 -1.378 0.853 4.088 410 HB VAL 53 HB VAL 53 -3.864 0.698 4.158 411 HG11 VAL 53 HG11 VAL 53 -2.835 3.552 3.984 412 HG12 VAL 53 HG12 VAL 53 -4.248 2.959 4.883 413 HG13 VAL 53 HG13 VAL 53 -2.620 2.460 5.367 414 HG21 VAL 53 HG21 VAL 53 -3.820 2.718 1.889 415 HG22 VAL 53 HG22 VAL 53 -4.300 1.008 1.711 416 HG23 VAL 53 HG23 VAL 53 -5.237 2.094 2.755 417 H ASP 54 H ASP 54 -3.073 -1.221 4.104 418 HA ASP 54 HA ASP 54 -2.326 -2.859 1.737 419 HB2 ASP 54 HB2 ASP 54 -2.346 -4.843 3.072 420 HB3 ASP 54 HB3 ASP 54 -1.139 -3.685 3.619 421 H GLY 55 H GLY 55 -3.846 -4.284 0.855 422 HA2 GLY 55 HA2 GLY 55 -6.593 -4.459 1.535 423 HA3 GLY 55 HA3 GLY 55 -6.406 -2.962 0.636 424 H ARG 56 H ARG 56 -7.930 -4.055 -0.807 425 HA ARG 56 HA ARG 56 -6.612 -5.858 -2.797 426 HB2 ARG 56 HB2 ARG 56 -8.471 -6.837 -1.581 427 HB3 ARG 56 HB3 ARG 56 -9.530 -5.507 -2.069 428 HG2 ARG 56 HG2 ARG 56 -9.476 -6.197 -4.376 429 HG3 ARG 56 HG3 ARG 56 -8.183 -7.361 -4.072 430 HD2 ARG 56 HD2 ARG 56 -10.427 -8.391 -4.350 431 HD3 ARG 56 HD3 ARG 56 -9.619 -8.809 -2.834 432 HE ARG 56 HE ARG 56 -11.153 -6.738 -2.000 433 HH11 ARG 56 HH11 ARG 56 -12.138 -9.554 -3.938 434 HH12 ARG 56 HH12 ARG 56 -13.620 -9.659 -2.993 435 HH21 ARG 56 HH21 ARG 56 -13.068 -7.012 -0.998 436 HH22 ARG 56 HH22 ARG 56 -14.113 -8.361 -1.488 437 H VAL 57 H VAL 57 -6.589 -5.502 -4.896 438 HA VAL 57 HA VAL 57 -7.220 -2.837 -6.024 439 HB VAL 57 HB VAL 57 -5.567 -5.209 -6.994 440 HG11 VAL 57 HG11 VAL 57 -6.282 -2.658 -8.500 441 HG12 VAL 57 HG12 VAL 57 -4.984 -3.779 -8.971 442 HG13 VAL 57 HG13 VAL 57 -6.647 -4.333 -8.985 443 HG21 VAL 57 HG21 VAL 57 -4.727 -2.325 -6.553 444 HG22 VAL 57 HG22 VAL 57 -4.492 -3.614 -5.346 445 HG23 VAL 57 HG23 VAL 57 -3.686 -3.711 -6.917 446 H ILE 58 H ILE 58 -8.931 -2.647 -7.416 447 HA ILE 58 HA ILE 58 -10.062 -5.110 -8.680 448 HB ILE 58 HB ILE 58 -12.399 -4.183 -8.213 449 HG12 ILE 58 HG12 ILE 58 -11.001 -2.781 -5.905 450 HG13 ILE 58 HG13 ILE 58 -11.440 -1.924 -7.391 451 HG21 ILE 58 HG21 ILE 58 -10.884 -5.171 -5.782 452 HG22 ILE 58 HG22 ILE 58 -12.605 -5.371 -6.147 453 HG23 ILE 58 HG23 ILE 58 -11.403 -6.205 -7.131 454 HD11 ILE 58 HD11 ILE 58 -13.825 -2.534 -7.050 455 HD12 ILE 58 HD12 ILE 58 -13.395 -3.283 -5.491 456 HD13 ILE 58 HD13 ILE 58 -13.164 -1.542 -5.739 457 H GLU 59 H GLU 59 -8.389 -2.912 -9.706 458 HA GLU 59 HA GLU 59 -9.600 -3.010 -12.269 459 HB2 GLU 59 HB2 GLU 59 -10.711 -0.864 -11.208 460 HB3 GLU 59 HB3 GLU 59 -9.132 -0.126 -11.413 461 HG2 GLU 59 HG2 GLU 59 -9.141 -0.489 -13.788 462 HG3 GLU 59 HG3 GLU 59 -10.504 -1.605 -13.696 463 H GLY 60 H GLY 60 -7.987 -2.947 -13.806 464 HA2 GLY 60 HA2 GLY 60 -6.008 -2.315 -14.809 465 HA3 GLY 60 HA3 GLY 60 -5.480 -1.497 -13.344 466 H HIS 61 H HIS 61 -3.570 -2.590 -14.428 467 HA HIS 61 HA HIS 61 -2.902 -5.095 -13.031 468 HB2 HIS 61 HB2 HIS 61 -2.089 -6.200 -15.084 469 HB3 HIS 61 HB3 HIS 61 -3.831 -5.972 -15.055 470 HD1 HIS 61 HD1 HIS 61 -4.882 -4.490 -16.988 471 HD2 HIS 61 HD2 HIS 61 -0.674 -4.612 -16.867 472 HE1 HIS 61 HE1 HIS 61 -4.064 -3.479 -19.191 473 H SER 62 H SER 62 -0.859 -5.261 -12.446 474 HA SER 62 HA SER 62 1.331 -3.873 -13.761 475 HB2 SER 62 HB2 SER 62 0.426 -2.904 -11.038 476 HB3 SER 62 HB3 SER 62 2.085 -2.728 -11.559 477 HG SER 62 HG SER 62 0.063 -2.016 -13.347 478 H MET 63 H MET 63 3.463 -4.213 -12.483 479 HA MET 63 HA MET 63 3.405 -6.788 -10.970 480 HB2 MET 63 HB2 MET 63 4.369 -7.149 -13.169 481 HB3 MET 63 HB3 MET 63 5.567 -5.872 -12.892 482 HG2 MET 63 HG2 MET 63 6.640 -7.086 -11.188 483 HG3 MET 63 HG3 MET 63 5.285 -8.194 -10.955 484 HE1 MET 63 HE1 MET 63 5.602 -10.837 -13.670 485 HE2 MET 63 HE2 MET 63 5.028 -10.459 -12.032 486 HE3 MET 63 HE3 MET 63 4.415 -9.535 -13.428 487 H VAL 64 H VAL 64 4.179 -6.738 -9.010 488 HA VAL 64 HA VAL 64 5.259 -4.160 -8.001 489 HB VAL 64 HB VAL 64 3.396 -6.190 -6.736 490 HG11 VAL 64 HG11 VAL 64 4.458 -3.577 -5.590 491 HG12 VAL 64 HG12 VAL 64 3.111 -4.511 -4.925 492 HG13 VAL 64 HG13 VAL 64 4.728 -5.219 -4.955 493 HG21 VAL 64 HG21 VAL 64 2.292 -4.778 -8.439 494 HG22 VAL 64 HG22 VAL 64 1.763 -4.315 -6.817 495 HG23 VAL 64 HG23 VAL 64 2.950 -3.322 -7.674 496 H ASP 65 H ASP 65 7.016 -4.020 -6.701 497 HA ASP 65 HA ASP 65 8.595 -6.454 -6.192 498 HB2 ASP 65 HB2 ASP 65 9.572 -4.398 -7.187 499 HB3 ASP 65 HB3 ASP 65 9.229 -3.520 -5.697 500 H GLU 66 H GLU 66 7.943 -7.595 -4.474 501 HA GLU 66 HA GLU 66 7.286 -6.242 -1.901 502 HB2 GLU 66 HB2 GLU 66 6.677 -9.086 -2.689 503 HB3 GLU 66 HB3 GLU 66 6.073 -8.162 -1.295 504 HG2 GLU 66 HG2 GLU 66 4.862 -6.664 -2.891 505 HG3 GLU 66 HG3 GLU 66 5.315 -7.765 -4.202 506 H SER 67 H SER 67 10.111 -7.074 -2.972 507 HA SER 67 HA SER 67 10.938 -9.368 -1.596 508 HB2 SER 67 HB2 SER 67 13.065 -9.010 -2.308 509 HB3 SER 67 HB3 SER 67 12.151 -8.060 -3.481 510 HG SER 67 HG SER 67 12.677 -6.186 -2.290 511 H LEU 68 H LEU 68 10.640 -6.205 -0.114 512 HA LEU 68 HA LEU 68 12.011 -7.162 2.317 513 HB2 LEU 68 HB2 LEU 68 12.199 -4.844 1.359 514 HB3 LEU 68 HB3 LEU 68 10.510 -4.573 1.715 515 HG LEU 68 HG LEU 68 12.012 -3.439 3.228 516 HD11 LEU 68 HD11 LEU 68 10.651 -5.557 4.913 517 HD12 LEU 68 HD12 LEU 68 10.982 -3.873 5.301 518 HD13 LEU 68 HD13 LEU 68 9.769 -4.258 4.069 519 HD21 LEU 68 HD21 LEU 68 13.907 -4.976 3.282 520 HD22 LEU 68 HD22 LEU 68 13.366 -4.512 4.904 521 HD23 LEU 68 HD23 LEU 68 12.959 -6.123 4.260 522 H ILE 69 H ILE 69 8.655 -6.599 1.238 523 HA ILE 69 HA ILE 69 7.571 -6.912 3.922 524 HB ILE 69 HB ILE 69 6.102 -6.779 1.270 525 HG12 ILE 69 HG12 ILE 69 7.449 -4.720 1.659 526 HG13 ILE 69 HG13 ILE 69 5.721 -4.450 1.652 527 HG21 ILE 69 HG21 ILE 69 4.209 -6.010 2.822 528 HG22 ILE 69 HG22 ILE 69 4.620 -7.725 2.900 529 HG23 ILE 69 HG23 ILE 69 5.175 -6.621 4.170 530 HD11 ILE 69 HD11 ILE 69 5.685 -4.316 4.113 531 HD12 ILE 69 HD12 ILE 69 7.437 -4.600 4.163 532 HD13 ILE 69 HD13 ILE 69 6.786 -3.129 3.402 533 H THR 70 H THR 70 6.960 -8.891 0.938 534 HA THR 70 HA THR 70 6.227 -11.195 2.657 535 HB THR 70 HB THR 70 5.422 -12.194 0.540 536 HG1 THR 70 HG1 THR 70 5.292 -10.432 -1.177 537 HG21 THR 70 HG21 THR 70 4.373 -9.349 0.883 538 HG22 THR 70 HG22 THR 70 3.518 -10.747 0.204 539 HG23 THR 70 HG23 THR 70 3.927 -10.721 1.924 540 H GLY 71 H GLY 71 8.991 -10.053 1.124 541 HA2 GLY 71 HA2 GLY 71 11.129 -10.956 1.201 542 HA3 GLY 71 HA3 GLY 71 10.480 -12.531 1.674 543 H GLU 72 H GLU 72 9.003 -11.109 -1.051 544 HA GLU 72 HA GLU 72 9.958 -13.230 -2.851 545 HB2 GLU 72 HB2 GLU 72 7.973 -10.960 -3.239 546 HB3 GLU 72 HB3 GLU 72 8.302 -12.218 -4.430 547 HG2 GLU 72 HG2 GLU 72 7.244 -12.773 -1.622 548 HG3 GLU 72 HG3 GLU 72 6.248 -12.600 -3.069 549 H ALA 73 H ALA 73 11.976 -13.010 -3.711 550 HA ALA 73 HA ALA 73 13.025 -10.399 -4.547 551 HB1 ALA 73 HB1 ALA 73 14.143 -13.212 -4.881 552 HB2 ALA 73 HB2 ALA 73 15.019 -11.688 -5.104 553 HB3 ALA 73 HB3 ALA 73 14.449 -12.146 -3.487 554 H MET 74 H MET 74 11.049 -12.782 -5.890 555 HA MET 74 HA MET 74 11.428 -11.903 -8.708 556 HB2 MET 74 HB2 MET 74 10.148 -14.301 -7.354 557 HB3 MET 74 HB3 MET 74 9.668 -13.796 -8.958 558 HG2 MET 74 HG2 MET 74 11.309 -15.468 -9.265 559 HG3 MET 74 HG3 MET 74 12.060 -13.936 -9.702 560 HE1 MET 74 HE1 MET 74 15.151 -15.863 -8.400 561 HE2 MET 74 HE2 MET 74 13.814 -16.441 -9.423 562 HE3 MET 74 HE3 MET 74 14.488 -14.811 -9.667 563 HA PRO 75 HA PRO 75 8.152 -9.024 -7.406 564 HB2 PRO 75 HB2 PRO 75 8.190 -8.617 -10.406 565 HB3 PRO 75 HB3 PRO 75 7.972 -7.382 -9.119 566 HG2 PRO 75 HG2 PRO 75 10.392 -7.699 -10.234 567 HG3 PRO 75 HG3 PRO 75 10.262 -7.621 -8.446 568 HD2 PRO 75 HD2 PRO 75 10.516 -10.072 -10.218 569 HD3 PRO 75 HD3 PRO 75 11.385 -9.681 -8.703 570 H VAL 76 H VAL 76 5.920 -8.836 -7.536 571 HA VAL 76 HA VAL 76 4.567 -11.334 -8.455 572 HB VAL 76 HB VAL 76 3.817 -9.449 -6.191 573 HG11 VAL 76 HG11 VAL 76 2.753 -12.200 -6.987 574 HG12 VAL 76 HG12 VAL 76 2.345 -11.337 -5.492 575 HG13 VAL 76 HG13 VAL 76 1.857 -10.664 -7.049 576 HG21 VAL 76 HG21 VAL 76 5.915 -10.644 -5.648 577 HG22 VAL 76 HG22 VAL 76 4.573 -11.271 -4.694 578 HG23 VAL 76 HG23 VAL 76 5.156 -12.189 -6.097 579 H ALA 77 H ALA 77 2.915 -11.261 -9.879 580 HA ALA 77 HA ALA 77 2.167 -8.721 -11.080 581 HB1 ALA 77 HB1 ALA 77 0.821 -10.146 -12.559 582 HB2 ALA 77 HB2 ALA 77 2.479 -10.763 -12.413 583 HB3 ALA 77 HB3 ALA 77 1.153 -11.555 -11.533 584 H LYS 78 H LYS 78 0.298 -7.631 -10.999 585 HA LYS 78 HA LYS 78 -1.909 -8.516 -9.175 586 HB2 LYS 78 HB2 LYS 78 -1.060 -5.649 -9.711 587 HB3 LYS 78 HB3 LYS 78 -2.271 -6.199 -8.556 588 HG2 LYS 78 HG2 LYS 78 0.726 -6.718 -8.386 589 HG3 LYS 78 HG3 LYS 78 -0.163 -5.483 -7.505 590 HD2 LYS 78 HD2 LYS 78 -1.399 -7.205 -6.251 591 HD3 LYS 78 HD3 LYS 78 -0.594 -8.488 -7.175 592 HE2 LYS 78 HE2 LYS 78 1.611 -7.742 -6.362 593 HE3 LYS 78 HE3 LYS 78 0.855 -6.423 -5.455 594 HZ1 LYS 78 HZ1 LYS 78 -0.325 -8.106 -4.136 595 HZ2 LYS 78 HZ2 LYS 78 0.372 -9.308 -4.974 596 HZ3 LYS 78 HZ3 LYS 78 1.310 -8.327 -4.028 597 H LYS 79 H LYS 79 -3.969 -8.007 -9.753 598 HA LYS 79 HA LYS 79 -4.739 -7.096 -12.470 599 HB2 LYS 79 HB2 LYS 79 -5.124 -9.909 -11.309 600 HB3 LYS 79 HB3 LYS 79 -6.074 -9.315 -12.655 601 HG2 LYS 79 HG2 LYS 79 -3.881 -8.871 -13.894 602 HG3 LYS 79 HG3 LYS 79 -3.079 -9.794 -12.617 603 HD2 LYS 79 HD2 LYS 79 -5.225 -10.804 -14.531 604 HD3 LYS 79 HD3 LYS 79 -3.504 -11.205 -14.543 605 HE2 LYS 79 HE2 LYS 79 -3.856 -12.134 -12.163 606 HE3 LYS 79 HE3 LYS 79 -5.594 -11.971 -12.468 607 HZ1 LYS 79 HZ1 LYS 79 -5.266 -13.466 -14.423 608 HZ2 LYS 79 HZ2 LYS 79 -3.688 -13.642 -14.033 609 HZ3 LYS 79 HZ3 LYS 79 -4.828 -14.202 -13.016 610 HA PRO 80 HA PRO 80 -8.477 -5.939 -10.147 611 HB2 PRO 80 HB2 PRO 80 -10.616 -6.883 -11.634 612 HB3 PRO 80 HB3 PRO 80 -9.694 -5.402 -12.029 613 HG2 PRO 80 HG2 PRO 80 -9.311 -8.189 -13.170 614 HG3 PRO 80 HG3 PRO 80 -9.431 -6.634 -14.055 615 HD2 PRO 80 HD2 PRO 80 -7.029 -7.720 -13.533 616 HD3 PRO 80 HD3 PRO 80 -7.273 -5.966 -13.349 617 H GLY 81 H GLY 81 -9.113 -6.945 -8.303 618 HA2 GLY 81 HA2 GLY 81 -9.743 -8.640 -6.830 619 HA3 GLY 81 HA3 GLY 81 -9.795 -9.817 -8.142 620 H SER 82 H SER 82 -7.262 -7.651 -6.774 621 HA SER 82 HA SER 82 -5.571 -10.028 -6.073 622 HB2 SER 82 HB2 SER 82 -5.000 -9.004 -8.317 623 HB3 SER 82 HB3 SER 82 -4.516 -7.540 -7.445 624 HG SER 82 HG SER 82 -3.464 -10.188 -7.180 625 H THR 83 H THR 83 -4.264 -9.736 -4.161 626 HA THR 83 HA THR 83 -5.003 -7.307 -2.611 627 HB THR 83 HB THR 83 -4.228 -8.537 -0.621 628 HG1 THR 83 HG1 THR 83 -3.939 -10.691 -0.745 629 HG21 THR 83 HG21 THR 83 -6.621 -8.438 -1.218 630 HG22 THR 83 HG22 THR 83 -6.444 -9.907 -2.210 631 HG23 THR 83 HG23 THR 83 -6.206 -9.974 -0.449 632 H VAL 84 H VAL 84 -3.594 -6.059 -1.555 633 HA VAL 84 HA VAL 84 -0.727 -6.178 -2.337 634 HB VAL 84 HB VAL 84 -0.813 -3.716 -2.709 635 HG11 VAL 84 HG11 VAL 84 -2.602 -5.332 -4.572 636 HG12 VAL 84 HG12 VAL 84 -1.759 -3.819 -4.961 637 HG13 VAL 84 HG13 VAL 84 -0.824 -5.273 -4.597 638 HG21 VAL 84 HG21 VAL 84 -2.941 -3.202 -1.502 639 HG22 VAL 84 HG22 VAL 84 -2.916 -2.580 -3.156 640 HG23 VAL 84 HG23 VAL 84 -3.844 -4.040 -2.785 641 H ILE 85 H ILE 85 0.680 -4.940 -1.089 642 HA ILE 85 HA ILE 85 -0.240 -4.172 1.624 643 HB ILE 85 HB ILE 85 2.117 -5.085 2.362 644 HG12 ILE 85 HG12 ILE 85 2.640 -7.304 1.434 645 HG13 ILE 85 HG13 ILE 85 1.440 -7.104 0.168 646 HG21 ILE 85 HG21 ILE 85 -0.328 -6.849 2.026 647 HG22 ILE 85 HG22 ILE 85 1.034 -7.147 3.127 648 HG23 ILE 85 HG23 ILE 85 0.015 -5.731 3.371 649 HD11 ILE 85 HD11 ILE 85 3.843 -5.270 0.534 650 HD12 ILE 85 HD12 ILE 85 3.798 -6.675 -0.559 651 HD13 ILE 85 HD13 ILE 85 2.708 -5.304 -0.825 652 H ALA 86 H ALA 86 0.842 -2.575 2.682 653 HA ALA 86 HA ALA 86 1.619 -0.429 1.052 654 HB1 ALA 86 HB1 ALA 86 0.564 -0.182 3.243 655 HB2 ALA 86 HB2 ALA 86 2.001 -0.824 4.035 656 HB3 ALA 86 HB3 ALA 86 2.077 0.733 3.178 657 H GLY 87 H GLY 87 3.548 0.745 0.823 658 HA2 GLY 87 HA2 GLY 87 5.831 1.146 0.707 659 HA3 GLY 87 HA3 GLY 87 6.108 -0.171 1.859 660 H SER 88 H SER 88 4.373 -1.600 -0.573 661 HA SER 88 HA SER 88 6.776 -2.588 -1.978 662 HB2 SER 88 HB2 SER 88 5.314 -4.087 -3.132 663 HB3 SER 88 HB3 SER 88 5.075 -4.219 -1.395 664 HG SER 88 HG SER 88 3.108 -3.150 -1.582 665 H ILE 89 H ILE 89 6.984 -2.384 -4.313 666 HA ILE 89 HA ILE 89 6.148 0.368 -5.122 667 HB ILE 89 HB ILE 89 8.497 -0.972 -6.393 668 HG12 ILE 89 HG12 ILE 89 9.031 -1.377 -4.040 669 HG13 ILE 89 HG13 ILE 89 10.106 -0.231 -4.805 670 HG21 ILE 89 HG21 ILE 89 7.699 1.180 -7.240 671 HG22 ILE 89 HG22 ILE 89 7.806 1.907 -5.629 672 HG23 ILE 89 HG23 ILE 89 9.279 1.396 -6.481 673 HD11 ILE 89 HD11 ILE 89 9.519 0.404 -2.482 674 HD12 ILE 89 HD12 ILE 89 9.070 1.642 -3.656 675 HD13 ILE 89 HD13 ILE 89 7.820 0.582 -2.960 676 H ASN 90 H ASN 90 5.121 0.729 -6.987 677 HA ASN 90 HA ASN 90 4.084 -1.595 -8.464 678 HB2 ASN 90 HB2 ASN 90 2.629 0.227 -7.437 679 HB3 ASN 90 HB3 ASN 90 3.314 1.357 -8.609 680 HD21 ASN 90 HD22 ASN 90 1.649 1.719 -10.077 681 HD22 ASN 90 HD21 ASN 90 0.839 0.392 -10.898 682 H GLN 91 H GLN 91 4.061 -1.808 -10.794 683 HA GLN 91 HA GLN 91 5.483 0.159 -12.451 684 HB2 GLN 91 HB2 GLN 91 7.051 -1.818 -11.353 685 HB3 GLN 91 HB3 GLN 91 6.478 -2.655 -12.767 686 HG2 GLN 91 HG2 GLN 91 8.493 -1.726 -13.464 687 HG3 GLN 91 HG3 GLN 91 7.324 -0.579 -14.109 688 HE21 GLN 91 HE22 GLN 91 7.312 1.574 -13.215 689 HE22 GLN 91 HE21 GLN 91 8.563 2.116 -12.105 690 H ASN 92 H ASN 92 4.523 0.239 -14.469 691 HA ASN 92 HA ASN 92 4.131 -0.571 -16.526 692 HB2 ASN 92 HB2 ASN 92 4.643 -2.912 -16.054 693 HB3 ASN 92 HB3 ASN 92 3.003 -3.139 -15.433 694 HD21 ASN 92 HD22 ASN 92 1.866 -4.329 -16.907 695 HD22 ASN 92 HD21 ASN 92 1.770 -3.886 -18.607 696 H GLY 93 H GLY 93 1.740 -0.112 -13.968 697 HA2 GLY 93 HA2 GLY 93 -0.064 1.098 -15.922 698 HA3 GLY 93 HA3 GLY 93 -0.636 -0.402 -15.212 699 H SER 94 H SER 94 -2.262 1.539 -14.759 700 HA SER 94 HA SER 94 -1.720 2.566 -12.004 701 HB2 SER 94 HB2 SER 94 -1.703 4.373 -13.666 702 HB3 SER 94 HB3 SER 94 -3.346 3.941 -14.164 703 HG SER 94 HG SER 94 -2.718 4.511 -11.446 704 H LEU 95 H LEU 95 -3.057 1.986 -10.483 705 HA LEU 95 HA LEU 95 -5.456 0.316 -11.177 706 HB2 LEU 95 HB2 LEU 95 -3.898 -0.194 -8.694 707 HB3 LEU 95 HB3 LEU 95 -4.729 -1.320 -9.717 708 HG LEU 95 HG LEU 95 -1.990 -0.107 -10.323 709 HD11 LEU 95 HD11 LEU 95 -1.076 -2.224 -9.566 710 HD12 LEU 95 HD12 LEU 95 -1.995 -1.474 -8.260 711 HD13 LEU 95 HD13 LEU 95 -2.700 -2.831 -9.169 712 HD21 LEU 95 HD21 LEU 95 -1.815 -1.924 -11.930 713 HD22 LEU 95 HD22 LEU 95 -3.420 -2.533 -11.461 714 HD23 LEU 95 HD23 LEU 95 -3.261 -0.978 -12.311 715 H LEU 96 H LEU 96 -6.994 0.004 -9.496 716 HA LEU 96 HA LEU 96 -7.285 2.295 -7.576 717 HB2 LEU 96 HB2 LEU 96 -9.335 0.779 -9.220 718 HB3 LEU 96 HB3 LEU 96 -9.770 1.575 -7.720 719 HG LEU 96 HG LEU 96 -9.057 3.747 -8.559 720 HD11 LEU 96 HD11 LEU 96 -7.350 3.335 -10.209 721 HD12 LEU 96 HD12 LEU 96 -8.420 2.258 -11.141 722 HD13 LEU 96 HD13 LEU 96 -8.725 3.998 -11.086 723 HD21 LEU 96 HD21 LEU 96 -11.381 2.981 -8.895 724 HD22 LEU 96 HD22 LEU 96 -10.845 4.068 -10.191 725 HD23 LEU 96 HD23 LEU 96 -10.917 2.313 -10.474 726 H ILE 97 H ILE 97 -6.941 1.734 -5.560 727 HA ILE 97 HA ILE 97 -7.428 -1.052 -4.632 728 HB ILE 97 HB ILE 97 -6.067 1.149 -3.043 729 HG12 ILE 97 HG12 ILE 97 -3.929 -0.210 -3.600 730 HG13 ILE 97 HG13 ILE 97 -4.798 -0.765 -5.024 731 HG21 ILE 97 HG21 ILE 97 -5.929 -1.895 -2.876 732 HG22 ILE 97 HG22 ILE 97 -5.164 -0.742 -1.770 733 HG23 ILE 97 HG23 ILE 97 -6.924 -0.865 -1.818 734 HD11 ILE 97 HD11 ILE 97 -4.848 1.512 -5.913 735 HD12 ILE 97 HD12 ILE 97 -4.300 2.172 -4.349 736 HD13 ILE 97 HD13 ILE 97 -3.221 1.171 -5.331 737 H CYS 98 H CYS 98 -9.268 -1.488 -3.531 738 HA CYS 98 HA CYS 98 -10.861 0.725 -2.368 739 HB2 CYS 98 HB2 CYS 98 -12.539 -0.979 -1.884 740 HB3 CYS 98 HB3 CYS 98 -12.099 -0.917 -3.590 741 HG CYS 98 HG CYS 98 -10.230 -2.958 -3.259 742 H ALA 99 H ALA 99 -10.178 1.573 -0.480 743 HA ALA 99 HA ALA 99 -8.364 0.044 1.179 744 HB1 ALA 99 HB1 ALA 99 -9.569 2.815 1.530 745 HB2 ALA 99 HB2 ALA 99 -8.246 2.118 2.495 746 HB3 ALA 99 HB3 ALA 99 -8.015 2.409 0.761 747 H THR 100 H THR 100 -9.018 -1.460 2.492 748 HA THR 100 HA THR 100 -11.519 -1.133 4.097 749 HB THR 100 HB THR 100 -11.225 -3.034 2.400 750 HG1 THR 100 HG1 THR 100 -12.539 -4.205 3.487 751 HG21 THR 100 HG21 THR 100 -10.174 -5.075 3.170 752 HG22 THR 100 HG22 THR 100 -8.952 -3.793 3.124 753 HG23 THR 100 HG23 THR 100 -9.651 -4.306 4.677 754 H HIS 101 H HIS 101 -8.220 -0.780 4.458 755 HA HIS 101 HA HIS 101 -8.345 -1.053 7.409 756 HB2 HIS 101 HB2 HIS 101 -6.094 -1.860 5.516 757 HB3 HIS 101 HB3 HIS 101 -5.981 -1.881 7.255 758 HD1 HIS 101 HD1 HIS 101 -5.789 -4.338 5.065 759 HD2 HIS 101 HD2 HIS 101 -8.532 -3.543 8.126 760 HE1 HIS 101 HE1 HIS 101 -6.887 -6.577 5.609 761 H VAL 102 H VAL 102 -7.390 0.676 8.454 762 HA VAL 102 HA VAL 102 -6.294 2.943 6.891 763 HB VAL 102 HB VAL 102 -6.309 4.156 9.018 764 HG11 VAL 102 HG11 VAL 102 -8.961 2.797 8.458 765 HG12 VAL 102 HG12 VAL 102 -8.684 4.399 9.176 766 HG13 VAL 102 HG13 VAL 102 -8.230 4.095 7.482 767 HG21 VAL 102 HG21 VAL 102 -5.976 2.261 10.602 768 HG22 VAL 102 HG22 VAL 102 -7.387 3.251 11.000 769 HG23 VAL 102 HG23 VAL 102 -7.614 1.684 10.208 770 H GLY 103 H GLY 103 -4.338 4.127 8.415 771 HA2 GLY 103 HA2 GLY 103 -2.045 2.553 7.587 772 HA3 GLY 103 HA3 GLY 103 -2.025 4.072 8.442 773 H ALA 104 H ALA 104 -3.497 3.392 10.779 774 HA ALA 104 HA ALA 104 -1.648 1.987 12.436 775 HB1 ALA 104 HB1 ALA 104 -3.602 2.024 14.040 776 HB2 ALA 104 HB2 ALA 104 -3.275 3.597 13.282 777 HB3 ALA 104 HB3 ALA 104 -4.630 2.590 12.717 778 H ASP 105 H ASP 105 -4.285 0.822 10.505 779 HA ASP 105 HA ASP 105 -4.453 -1.893 11.571 780 HB2 ASP 105 HB2 ASP 105 -6.312 -0.341 10.673 781 HB3 ASP 105 HB3 ASP 105 -5.781 -0.859 9.092 782 H THR 106 H THR 106 -2.108 -0.427 9.655 783 HA THR 106 HA THR 106 -1.889 -2.390 7.567 784 HB THR 106 HB THR 106 0.360 -1.487 7.098 785 HG1 THR 106 HG1 THR 106 -0.220 0.455 9.029 786 HG21 THR 106 HG21 THR 106 -1.942 0.438 7.258 787 HG22 THR 106 HG22 THR 106 -0.410 0.774 6.407 788 HG23 THR 106 HG23 THR 106 -1.448 -0.581 5.907 789 H THR 107 H THR 107 -0.684 -4.191 7.298 790 HA THR 107 HA THR 107 0.283 -5.637 9.532 791 HB THR 107 HB THR 107 -0.434 -6.637 7.403 792 HG1 THR 107 HG1 THR 107 0.875 -8.302 7.622 793 HG21 THR 107 HG21 THR 107 1.073 -6.927 5.555 794 HG22 THR 107 HG22 THR 107 0.831 -5.189 5.796 795 HG23 THR 107 HG23 THR 107 2.339 -5.976 6.345 796 H LEU 108 H LEU 108 2.053 -3.397 7.435 797 HA LEU 108 HA LEU 108 4.713 -3.820 8.332 798 HB2 LEU 108 HB2 LEU 108 3.184 -1.290 7.573 799 HB3 LEU 108 HB3 LEU 108 4.892 -1.277 7.979 800 HG LEU 108 HG LEU 108 5.460 -2.655 6.053 801 HD11 LEU 108 HD11 LEU 108 2.477 -2.589 5.444 802 HD12 LEU 108 HD12 LEU 108 3.751 -3.014 4.274 803 HD13 LEU 108 HD13 LEU 108 3.513 -4.035 5.684 804 HD21 LEU 108 HD21 LEU 108 5.340 -0.229 5.895 805 HD22 LEU 108 HD22 LEU 108 4.834 -0.943 4.360 806 HD23 LEU 108 HD23 LEU 108 3.617 -0.308 5.512 807 H SER 109 H SER 109 2.154 -1.723 9.733 808 HA SER 109 HA SER 109 3.702 -0.851 12.000 809 HB2 SER 109 HB2 SER 109 0.677 -1.015 11.680 810 HB3 SER 109 HB3 SER 109 1.559 -0.141 12.941 811 HG SER 109 HG SER 109 1.430 0.383 10.167 812 H GLN 110 H GLN 110 1.642 -3.687 11.370 813 HA GLN 110 HA GLN 110 1.513 -4.523 14.155 814 HB2 GLN 110 HB2 GLN 110 -0.128 -5.206 12.388 815 HB3 GLN 110 HB3 GLN 110 1.092 -6.232 11.679 816 HG2 GLN 110 HG2 GLN 110 -0.157 -7.692 12.995 817 HG3 GLN 110 HG3 GLN 110 1.291 -7.423 13.958 818 HE21 GLN 110 HE22 GLN 110 -2.108 -6.476 13.506 819 HE22 GLN 110 HE21 GLN 110 -2.280 -5.793 15.126 820 H ILE 111 H ILE 111 3.678 -5.388 11.458 821 HA ILE 111 HA ILE 111 5.211 -7.391 12.771 822 HB ILE 111 HB ILE 111 5.897 -5.421 10.558 823 HG12 ILE 111 HG12 ILE 111 5.470 -8.435 10.373 824 HG13 ILE 111 HG13 ILE 111 4.131 -7.309 10.253 825 HG21 ILE 111 HG21 ILE 111 7.576 -7.784 11.522 826 HG22 ILE 111 HG22 ILE 111 7.878 -6.853 10.044 827 HG23 ILE 111 HG23 ILE 111 8.037 -6.071 11.606 828 HD11 ILE 111 HD11 ILE 111 5.233 -6.199 8.305 829 HD12 ILE 111 HD12 ILE 111 6.507 -7.444 8.355 830 HD13 ILE 111 HD13 ILE 111 4.828 -7.903 8.030 831 H VAL 112 H VAL 112 5.942 -3.849 12.510 832 HA VAL 112 HA VAL 112 8.090 -4.063 14.396 833 HB VAL 112 HB VAL 112 8.300 -1.712 14.407 834 HG11 VAL 112 HG11 VAL 112 8.691 -1.321 12.106 835 HG12 VAL 112 HG12 VAL 112 8.972 -3.050 12.372 836 HG13 VAL 112 HG13 VAL 112 7.468 -2.508 11.600 837 HG21 VAL 112 HG21 VAL 112 5.946 -0.959 14.583 838 HG22 VAL 112 HG22 VAL 112 6.755 -0.198 13.212 839 HG23 VAL 112 HG23 VAL 112 5.635 -1.545 12.933 840 H LYS 113 H LYS 113 4.647 -3.474 14.957 841 HA LYS 113 HA LYS 113 4.812 -2.650 17.721 842 HB2 LYS 113 HB2 LYS 113 2.719 -4.106 16.066 843 HB3 LYS 113 HB3 LYS 113 2.520 -3.937 17.806 844 HG2 LYS 113 HG2 LYS 113 2.385 -1.574 17.704 845 HG3 LYS 113 HG3 LYS 113 3.037 -1.522 16.076 846 HD2 LYS 113 HD2 LYS 113 0.637 -1.044 16.087 847 HD3 LYS 113 HD3 LYS 113 1.045 -2.463 15.110 848 HE2 LYS 113 HE2 LYS 113 0.390 -3.964 16.871 849 HE3 LYS 113 HE3 LYS 113 0.105 -2.606 17.977 850 HZ1 LYS 113 HZ1 LYS 113 -1.391 -2.925 15.432 851 HZ2 LYS 113 HZ2 LYS 113 -1.946 -3.538 16.851 852 HZ3 LYS 113 HZ3 LYS 113 -1.740 -1.910 16.673 853 H LEU 114 H LEU 114 4.597 -5.889 16.242 854 HA LEU 114 HA LEU 114 4.843 -7.348 18.674 855 HB2 LEU 114 HB2 LEU 114 5.028 -7.902 15.729 856 HB3 LEU 114 HB3 LEU 114 5.746 -9.104 16.783 857 HG LEU 114 HG LEU 114 2.883 -8.117 16.885 858 HD11 LEU 114 HD11 LEU 114 4.042 -10.748 15.879 859 HD12 LEU 114 HD12 LEU 114 2.313 -10.328 15.961 860 HD13 LEU 114 HD13 LEU 114 3.388 -9.440 14.869 861 HD21 LEU 114 HD21 LEU 114 3.490 -8.917 19.114 862 HD22 LEU 114 HD22 LEU 114 2.565 -10.198 18.336 863 HD23 LEU 114 HD23 LEU 114 4.334 -10.321 18.433 864 H VAL 115 H VAL 115 7.403 -6.252 16.445 865 HA VAL 115 HA VAL 115 9.558 -7.617 17.888 866 HB VAL 115 HB VAL 115 9.604 -5.236 15.995 867 HG11 VAL 115 HG11 VAL 115 11.917 -6.731 17.302 868 HG12 VAL 115 HG12 VAL 115 12.092 -5.716 15.862 869 HG13 VAL 115 HG13 VAL 115 11.572 -4.989 17.385 870 HG21 VAL 115 HG21 VAL 115 9.012 -7.439 14.981 871 HG22 VAL 115 HG22 VAL 115 10.578 -6.851 14.418 872 HG23 VAL 115 HG23 VAL 115 10.501 -8.133 15.646 873 H GLU 116 H GLU 116 8.338 -4.319 17.936 874 HA GLU 116 HA GLU 116 9.956 -3.250 19.968 875 HB2 GLU 116 HB2 GLU 116 8.446 -2.042 18.408 876 HB3 GLU 116 HB3 GLU 116 7.059 -2.522 19.368 877 HG2 GLU 116 HG2 GLU 116 9.405 -0.802 20.247 878 HG3 GLU 116 HG3 GLU 116 7.854 -0.184 19.704 879 H GLU 117 H GLU 117 6.905 -5.124 20.436 880 HA GLU 117 HA GLU 117 6.808 -4.791 23.303 881 HB2 GLU 117 HB2 GLU 117 5.653 -6.818 21.354 882 HB3 GLU 117 HB3 GLU 117 5.308 -6.856 23.081 883 HG2 GLU 117 HG2 GLU 117 4.791 -4.313 21.528 884 HG3 GLU 117 HG3 GLU 117 3.665 -5.663 21.438 885 H ALA 118 H ALA 118 8.674 -6.953 21.285 886 HA ALA 118 HA ALA 118 8.872 -9.135 23.152 887 HB1 ALA 118 HB1 ALA 118 9.249 -9.347 20.717 888 HB2 ALA 118 HB2 ALA 118 10.757 -8.418 20.867 889 HB3 ALA 118 HB3 ALA 118 10.604 -9.997 21.661 890 H GLN 119 H GLN 119 11.204 -6.508 22.453 891 HA GLN 119 HA GLN 119 13.034 -6.824 24.461 892 HB2 GLN 119 HB2 GLN 119 11.836 -4.308 23.222 893 HB3 GLN 119 HB3 GLN 119 13.148 -4.264 24.359 894 HG2 GLN 119 HG2 GLN 119 14.409 -4.219 22.511 895 HG3 GLN 119 HG3 GLN 119 14.315 -5.980 22.739 896 HE21 GLN 119 HE22 GLN 119 12.982 -7.212 21.374 897 HE22 GLN 119 HE21 GLN 119 11.863 -6.373 20.288 Start of MODEL 26 1 H SER 1 H SER 1 18.436 -6.376 12.510 2 HA SER 1 HA SER 1 17.114 -4.582 14.284 3 HB2 SER 1 HB2 SER 1 19.350 -3.566 14.635 4 HB3 SER 1 HB3 SER 1 19.404 -5.329 14.720 5 HG SER 1 HG SER 1 21.042 -4.100 13.431 6 H GLU 2 H GLU 2 18.638 -3.839 11.124 7 HA GLU 2 HA GLU 2 17.854 -1.026 11.276 8 HB2 GLU 2 HB2 GLU 2 19.960 -1.845 10.360 9 HB3 GLU 2 HB3 GLU 2 19.134 -2.672 9.059 10 HG2 GLU 2 HG2 GLU 2 18.750 0.315 9.452 11 HG3 GLU 2 HG3 GLU 2 20.263 -0.273 8.782 12 H ALA 3 H ALA 3 16.525 -3.928 9.823 13 HA ALA 3 HA ALA 3 14.561 -2.698 8.121 14 HB1 ALA 3 HB1 ALA 3 15.241 -5.065 7.943 15 HB2 ALA 3 HB2 ALA 3 14.517 -5.399 9.532 16 HB3 ALA 3 HB3 ALA 3 13.491 -4.901 8.173 17 H LEU 4 H LEU 4 14.446 -3.730 11.533 18 HA LEU 4 HA LEU 4 11.817 -3.102 12.143 19 HB2 LEU 4 HB2 LEU 4 13.717 -4.078 13.662 20 HB3 LEU 4 HB3 LEU 4 14.065 -2.405 14.066 21 HG LEU 4 HG LEU 4 11.541 -2.230 14.737 22 HD11 LEU 4 HD11 LEU 4 11.961 -5.241 14.734 23 HD12 LEU 4 HD12 LEU 4 10.548 -4.390 15.414 24 HD13 LEU 4 HD13 LEU 4 10.851 -4.368 13.665 25 HD21 LEU 4 HD21 LEU 4 13.359 -2.268 16.408 26 HD22 LEU 4 HD22 LEU 4 11.933 -3.163 16.957 27 HD23 LEU 4 HD23 LEU 4 13.365 -4.046 16.368 28 H ALA 5 H ALA 5 14.397 -0.733 11.714 29 HA ALA 5 HA ALA 5 12.669 1.543 12.452 30 HB1 ALA 5 HB1 ALA 5 15.476 1.430 11.250 31 HB2 ALA 5 HB2 ALA 5 14.628 2.895 11.789 32 HB3 ALA 5 HB3 ALA 5 15.076 1.647 12.966 33 H LYS 6 H LYS 6 13.954 -0.051 9.519 34 HA LYS 6 HA LYS 6 13.136 1.872 7.614 35 HB2 LYS 6 HB2 LYS 6 14.741 -0.153 7.390 36 HB3 LYS 6 HB3 LYS 6 13.300 -1.107 7.029 37 HG2 LYS 6 HG2 LYS 6 12.833 0.323 5.068 38 HG3 LYS 6 HG3 LYS 6 14.172 1.398 5.517 39 HD2 LYS 6 HD2 LYS 6 15.752 -0.552 5.261 40 HD3 LYS 6 HD3 LYS 6 14.403 -1.515 4.626 41 HE2 LYS 6 HE2 LYS 6 14.117 0.093 2.765 42 HE3 LYS 6 HE3 LYS 6 15.367 1.133 3.460 43 HZ1 LYS 6 HZ1 LYS 6 16.365 -0.177 1.721 44 HZ2 LYS 6 HZ2 LYS 6 16.937 -0.774 3.146 45 HZ3 LYS 6 HZ3 LYS 6 15.803 -1.586 2.323 46 H LEU 7 H LEU 7 11.254 -0.855 8.956 47 HA LEU 7 HA LEU 7 8.969 -0.625 7.284 48 HB2 LEU 7 HB2 LEU 7 9.513 -1.634 10.063 49 HB3 LEU 7 HB3 LEU 7 7.842 -1.314 9.648 50 HG LEU 7 HG LEU 7 8.353 -3.646 9.358 51 HD11 LEU 7 HD11 LEU 7 7.464 -4.014 7.146 52 HD12 LEU 7 HD12 LEU 7 6.675 -2.606 7.878 53 HD13 LEU 7 HD13 LEU 7 7.920 -2.387 6.621 54 HD21 LEU 7 HD21 LEU 7 10.705 -3.610 8.792 55 HD22 LEU 7 HD22 LEU 7 9.801 -4.467 7.538 56 HD23 LEU 7 HD23 LEU 7 10.360 -2.810 7.238 57 H ILE 8 H ILE 8 9.833 1.411 10.093 58 HA ILE 8 HA ILE 8 7.338 2.929 9.962 59 HB ILE 8 HB ILE 8 9.973 3.486 11.353 60 HG12 ILE 8 HG12 ILE 8 8.823 1.512 12.237 61 HG13 ILE 8 HG13 ILE 8 8.851 2.831 13.394 62 HG21 ILE 8 HG21 ILE 8 7.341 4.988 11.466 63 HG22 ILE 8 HG22 ILE 8 8.622 5.138 12.692 64 HG23 ILE 8 HG23 ILE 8 8.934 5.623 11.022 65 HD11 ILE 8 HD11 ILE 8 6.448 3.331 12.838 66 HD12 ILE 8 HD12 ILE 8 6.449 1.921 11.748 67 HD13 ILE 8 HD13 ILE 8 6.705 1.709 13.484 68 H SER 9 H SER 9 10.602 3.273 8.560 69 HA SER 9 HA SER 9 10.231 5.924 7.473 70 HB2 SER 9 HB2 SER 9 12.076 3.702 6.533 71 HB3 SER 9 HB3 SER 9 12.215 5.429 6.161 72 HG SER 9 HG SER 9 13.539 4.570 7.959 73 H LEU 10 H LEU 10 9.245 2.731 6.408 74 HA LEU 10 HA LEU 10 8.620 3.388 3.657 75 HB2 LEU 10 HB2 LEU 10 8.155 1.087 5.567 76 HB3 LEU 10 HB3 LEU 10 7.306 1.113 4.036 77 HG LEU 10 HG LEU 10 10.324 1.478 4.076 78 HD11 LEU 10 HD11 LEU 10 8.792 -1.160 4.068 79 HD12 LEU 10 HD12 LEU 10 10.521 -0.955 3.686 80 HD13 LEU 10 HD13 LEU 10 9.935 -0.595 5.311 81 HD21 LEU 10 HD21 LEU 10 10.131 0.498 1.842 82 HD22 LEU 10 HD22 LEU 10 8.399 0.208 2.083 83 HD23 LEU 10 HD23 LEU 10 9.016 1.877 1.968 84 H GLN 11 H GLN 11 6.900 4.155 6.606 85 HA GLN 11 HA GLN 11 4.235 3.887 5.433 86 HB2 GLN 11 HB2 GLN 11 5.222 5.051 8.044 87 HB3 GLN 11 HB3 GLN 11 3.550 5.167 7.500 88 HG2 GLN 11 HG2 GLN 11 3.298 2.775 7.427 89 HG3 GLN 11 HG3 GLN 11 5.006 2.490 7.757 90 HE21 GLN 11 HE22 GLN 11 1.930 2.771 9.239 91 HE22 GLN 11 HE21 GLN 11 2.558 3.132 10.846 92 H ALA 12 H ALA 12 2.867 5.509 4.759 93 HA ALA 12 HA ALA 12 4.183 7.769 3.447 94 HB1 ALA 12 HB1 ALA 12 1.978 7.995 2.329 95 HB2 ALA 12 HB2 ALA 12 2.605 6.338 2.238 96 HB3 ALA 12 HB3 ALA 12 1.315 6.741 3.394 97 H THR 13 H THR 13 3.527 9.989 3.596 98 HA THR 13 HA THR 13 2.279 10.843 6.155 99 HB THR 13 HB THR 13 2.883 13.143 5.294 100 HG1 THR 13 HG1 THR 13 4.241 13.233 3.554 101 HG21 THR 13 HG21 THR 13 5.315 12.880 5.649 102 HG22 THR 13 HG22 THR 13 4.370 12.009 6.868 103 HG23 THR 13 HG23 THR 13 5.139 11.114 5.541 104 H GLU 14 H GLU 14 1.530 10.773 2.720 105 HA GLU 14 HA GLU 14 -1.174 11.899 3.194 106 HB2 GLU 14 HB2 GLU 14 -0.898 13.264 1.125 107 HB3 GLU 14 HB3 GLU 14 0.133 13.796 2.454 108 HG2 GLU 14 HG2 GLU 14 2.084 12.896 1.389 109 HG3 GLU 14 HG3 GLU 14 1.114 11.944 0.267 110 H ALA 15 H ALA 15 -2.666 11.596 1.407 111 HA ALA 15 HA ALA 15 -2.038 9.440 -0.526 112 HB1 ALA 15 HB1 ALA 15 -4.366 9.299 1.436 113 HB2 ALA 15 HB2 ALA 15 -4.060 8.159 0.105 114 HB3 ALA 15 HB3 ALA 15 -2.915 8.271 1.457 115 H THR 16 H THR 16 -3.581 9.243 -2.260 116 HA THR 16 HA THR 16 -5.068 11.760 -2.826 117 HB THR 16 HB THR 16 -4.143 9.674 -4.799 118 HG1 THR 16 HG1 THR 16 -2.998 11.877 -5.339 119 HG21 THR 16 HG21 THR 16 -5.300 12.454 -5.284 120 HG22 THR 16 HG22 THR 16 -4.738 11.296 -6.516 121 HG23 THR 16 HG23 THR 16 -6.167 10.929 -5.570 122 H ILE 17 H ILE 17 -7.260 11.748 -2.771 123 HA ILE 17 HA ILE 17 -8.734 9.133 -2.830 124 HB ILE 17 HB ILE 17 -9.756 11.825 -1.817 125 HG12 ILE 17 HG12 ILE 17 -8.430 9.539 -0.281 126 HG13 ILE 17 HG13 ILE 17 -7.881 11.206 -0.400 127 HG21 ILE 17 HG21 ILE 17 -11.537 10.457 -0.821 128 HG22 ILE 17 HG22 ILE 17 -11.493 10.168 -2.537 129 HG23 ILE 17 HG23 ILE 17 -10.787 8.966 -1.435 130 HD11 ILE 17 HD11 ILE 17 -8.868 10.847 1.768 131 HD12 ILE 17 HD12 ILE 17 -9.906 11.955 0.846 132 HD13 ILE 17 HD13 ILE 17 -10.362 10.243 1.070 133 H VAL 18 H VAL 18 -10.131 8.650 -4.471 134 HA VAL 18 HA VAL 18 -10.804 10.804 -6.439 135 HB VAL 18 HB VAL 18 -10.989 9.132 -8.148 136 HG11 VAL 18 HG11 VAL 18 -8.749 10.236 -7.605 137 HG12 VAL 18 HG12 VAL 18 -8.308 8.758 -6.755 138 HG13 VAL 18 HG13 VAL 18 -8.649 8.709 -8.496 139 HG21 VAL 18 HG21 VAL 18 -11.585 7.105 -6.877 140 HG22 VAL 18 HG22 VAL 18 -10.170 6.844 -7.890 141 HG23 VAL 18 HG23 VAL 18 -9.967 7.086 -6.142 142 H THR 19 H THR 19 -12.873 11.294 -6.835 143 HA THR 19 HA THR 19 -15.041 9.462 -5.849 144 HB THR 19 HB THR 19 -15.022 12.456 -5.340 145 HG1 THR 19 HG1 THR 19 -13.493 11.722 -4.047 146 HG21 THR 19 HG21 THR 19 -17.277 11.471 -5.326 147 HG22 THR 19 HG22 THR 19 -16.724 10.171 -4.241 148 HG23 THR 19 HG23 THR 19 -16.774 11.855 -3.676 149 H LEU 20 H LEU 20 -16.793 9.251 -7.141 150 HA LEU 20 HA LEU 20 -17.080 11.058 -9.473 151 HB2 LEU 20 HB2 LEU 20 -17.981 8.185 -9.047 152 HB3 LEU 20 HB3 LEU 20 -18.533 9.192 -10.349 153 HG LEU 20 HG LEU 20 -16.877 7.685 -11.146 154 HD11 LEU 20 HD11 LEU 20 -15.525 9.234 -12.346 155 HD12 LEU 20 HD12 LEU 20 -17.058 10.081 -12.008 156 HD13 LEU 20 HD13 LEU 20 -15.636 10.426 -11.045 157 HD21 LEU 20 HD21 LEU 20 -14.548 7.710 -10.578 158 HD22 LEU 20 HD22 LEU 20 -14.758 9.031 -9.424 159 HD23 LEU 20 HD23 LEU 20 -15.451 7.429 -9.081 160 H ASP 21 H ASP 21 -19.018 12.112 -9.877 161 HA ASP 21 HA ASP 21 -21.209 11.756 -7.890 162 HB2 ASP 21 HB2 ASP 21 -19.277 13.503 -7.333 163 HB3 ASP 21 HB3 ASP 21 -20.145 14.520 -8.450 164 H SER 22 H SER 22 -21.135 11.311 -10.820 165 HA SER 22 HA SER 22 -23.711 12.614 -11.374 166 HB2 SER 22 HB2 SER 22 -21.445 13.120 -13.304 167 HB3 SER 22 HB3 SER 22 -23.155 13.242 -13.732 168 HG SER 22 HG SER 22 -22.520 15.240 -13.151 169 H ASP 23 H ASP 23 -21.324 10.961 -13.424 170 HA ASP 23 HA ASP 23 -22.962 8.623 -14.005 171 HB2 ASP 23 HB2 ASP 23 -24.001 10.613 -15.300 172 HB3 ASP 23 HB3 ASP 23 -22.523 10.651 -16.253 173 H ASN 24 H ASN 24 -20.437 8.894 -12.928 174 HA ASN 24 HA ASN 24 -18.248 8.551 -13.022 175 HB2 ASN 24 HB2 ASN 24 -19.099 6.493 -14.310 176 HB3 ASN 24 HB3 ASN 24 -18.358 7.246 -15.729 177 HD21 ASN 24 HD22 ASN 24 -15.955 8.093 -14.884 178 HD22 ASN 24 HD21 ASN 24 -15.115 6.714 -14.172 179 H ILE 25 H ILE 25 -19.541 10.411 -15.683 180 HA ILE 25 HA ILE 25 -17.122 11.498 -16.668 181 HB ILE 25 HB ILE 25 -18.469 13.334 -17.552 182 HG12 ILE 25 HG12 ILE 25 -20.740 12.209 -15.840 183 HG13 ILE 25 HG13 ILE 25 -19.990 13.802 -15.696 184 HG21 ILE 25 HG21 ILE 25 -19.973 10.703 -17.826 185 HG22 ILE 25 HG22 ILE 25 -19.768 11.978 -19.042 186 HG23 ILE 25 HG23 ILE 25 -18.382 10.999 -18.557 187 HD11 ILE 25 HD11 ILE 25 -21.700 12.836 -18.012 188 HD12 ILE 25 HD12 ILE 25 -22.117 14.036 -16.783 189 HD13 ILE 25 HD13 ILE 25 -20.832 14.392 -17.957 190 H LEU 26 H LEU 26 -19.031 12.628 -13.900 191 HA LEU 26 HA LEU 26 -17.267 14.861 -13.329 192 HB2 LEU 26 HB2 LEU 26 -19.622 15.087 -12.979 193 HB3 LEU 26 HB3 LEU 26 -19.673 13.678 -11.915 194 HG LEU 26 HG LEU 26 -18.587 14.817 -10.145 195 HD11 LEU 26 HD11 LEU 26 -18.107 17.136 -12.028 196 HD12 LEU 26 HD12 LEU 26 -17.798 17.122 -10.274 197 HD13 LEU 26 HD13 LEU 26 -16.852 16.074 -11.326 198 HD21 LEU 26 HD21 LEU 26 -20.964 15.423 -10.455 199 HD22 LEU 26 HD22 LEU 26 -19.998 16.660 -9.645 200 HD23 LEU 26 HD23 LEU 26 -20.455 16.866 -11.355 201 H LEU 27 H LEU 27 -15.374 13.647 -13.266 202 HA LEU 27 HA LEU 27 -14.746 12.225 -10.713 203 HB2 LEU 27 HB2 LEU 27 -14.195 11.310 -13.067 204 HB3 LEU 27 HB3 LEU 27 -12.852 12.443 -13.077 205 HG LEU 27 HG LEU 27 -13.280 10.440 -10.810 206 HD11 LEU 27 HD11 LEU 27 -11.797 8.883 -11.957 207 HD12 LEU 27 HD12 LEU 27 -13.214 9.200 -12.963 208 HD13 LEU 27 HD13 LEU 27 -11.662 9.986 -13.340 209 HD21 LEU 27 HD21 LEU 27 -10.789 11.848 -11.852 210 HD22 LEU 27 HD22 LEU 27 -11.606 12.155 -10.306 211 HD23 LEU 27 HD23 LEU 27 -10.810 10.608 -10.583 212 H SER 28 H SER 28 -13.834 13.147 -9.069 213 HA SER 28 HA SER 28 -12.245 15.637 -9.394 214 HB2 SER 28 HB2 SER 28 -14.407 16.449 -8.852 215 HB3 SER 28 HB3 SER 28 -14.682 15.230 -7.613 216 HG SER 28 HG SER 28 -13.781 16.526 -6.253 217 H GLU 29 H GLU 29 -10.407 15.609 -8.236 218 HA GLU 29 HA GLU 29 -9.903 13.262 -6.453 219 HB2 GLU 29 HB2 GLU 29 -7.915 14.653 -8.249 220 HB3 GLU 29 HB3 GLU 29 -7.678 13.183 -7.298 221 HG2 GLU 29 HG2 GLU 29 -9.307 11.986 -8.734 222 HG3 GLU 29 HG3 GLU 29 -9.581 13.460 -9.661 223 H GLU 30 H GLU 30 -8.651 13.521 -4.601 224 HA GLU 30 HA GLU 30 -7.866 16.316 -3.779 225 HB2 GLU 30 HB2 GLU 30 -9.185 14.096 -2.167 226 HB3 GLU 30 HB3 GLU 30 -8.561 15.582 -1.472 227 HG2 GLU 30 HG2 GLU 30 -10.666 15.774 -3.638 228 HG3 GLU 30 HG3 GLU 30 -11.100 15.202 -2.032 229 H GLN 31 H GLN 31 -5.944 16.458 -2.629 230 HA GLN 31 HA GLN 31 -4.552 13.901 -1.885 231 HB2 GLN 31 HB2 GLN 31 -3.289 16.589 -2.563 232 HB3 GLN 31 HB3 GLN 31 -2.465 15.221 -1.801 233 HG2 GLN 31 HG2 GLN 31 -3.395 13.877 -3.883 234 HG3 GLN 31 HG3 GLN 31 -3.397 15.476 -4.656 235 HE21 GLN 31 HE22 GLN 31 -1.644 12.814 -3.587 236 HE22 GLN 31 HE21 GLN 31 -0.439 13.713 -2.831 237 H VAL 32 H VAL 32 -4.437 13.509 0.223 238 HA VAL 32 HA VAL 32 -4.986 15.716 2.175 239 HB VAL 32 HB VAL 32 -6.540 14.365 3.354 240 HG11 VAL 32 HG11 VAL 32 -7.314 14.111 0.422 241 HG12 VAL 32 HG12 VAL 32 -8.388 14.207 1.825 242 HG13 VAL 32 HG13 VAL 32 -7.411 15.615 1.371 243 HG21 VAL 32 HG21 VAL 32 -5.586 12.097 3.013 244 HG22 VAL 32 HG22 VAL 32 -7.309 12.166 2.669 245 HG23 VAL 32 HG23 VAL 32 -6.145 12.125 1.324 246 H ASP 33 H ASP 33 -4.451 15.228 4.431 247 HA ASP 33 HA ASP 33 -1.916 13.780 4.706 248 HB2 ASP 33 HB2 ASP 33 -3.778 14.960 6.811 249 HB3 ASP 33 HB3 ASP 33 -2.170 14.321 7.115 250 H VAL 34 H VAL 34 -1.612 11.756 5.618 251 HA VAL 34 HA VAL 34 -3.674 9.896 5.209 252 HB VAL 34 HB VAL 34 -1.197 9.563 5.009 253 HG11 VAL 34 HG11 VAL 34 -1.400 8.877 7.969 254 HG12 VAL 34 HG12 VAL 34 -0.023 8.545 6.920 255 HG13 VAL 34 HG13 VAL 34 -0.494 10.219 7.253 256 HG21 VAL 34 HG21 VAL 34 -2.697 7.282 6.326 257 HG22 VAL 34 HG22 VAL 34 -2.814 7.748 4.614 258 HG23 VAL 34 HG23 VAL 34 -1.277 7.178 5.271 259 H GLU 35 H GLU 35 -3.526 11.794 7.876 260 HA GLU 35 HA GLU 35 -4.906 10.103 9.843 261 HB2 GLU 35 HB2 GLU 35 -3.391 12.004 10.378 262 HB3 GLU 35 HB3 GLU 35 -4.500 13.111 9.563 263 HG2 GLU 35 HG2 GLU 35 -6.257 12.481 11.247 264 HG3 GLU 35 HG3 GLU 35 -5.042 11.501 12.088 265 H LEU 36 H LEU 36 -5.823 12.111 7.092 266 HA LEU 36 HA LEU 36 -8.587 12.525 8.062 267 HB2 LEU 36 HB2 LEU 36 -7.166 13.719 5.665 268 HB3 LEU 36 HB3 LEU 36 -8.623 14.308 6.461 269 HG LEU 36 HG LEU 36 -5.814 14.311 7.663 270 HD11 LEU 36 HD11 LEU 36 -6.139 15.922 5.833 271 HD12 LEU 36 HD12 LEU 36 -7.534 16.613 6.697 272 HD13 LEU 36 HD13 LEU 36 -5.904 16.718 7.401 273 HD21 LEU 36 HD21 LEU 36 -6.790 15.741 9.410 274 HD22 LEU 36 HD22 LEU 36 -8.412 15.462 8.740 275 HD23 LEU 36 HD23 LEU 36 -7.486 14.113 9.445 276 H VAL 37 H VAL 37 -7.024 10.405 6.038 277 HA VAL 37 HA VAL 37 -9.365 9.716 4.341 278 HB VAL 37 HB VAL 37 -7.102 9.758 3.336 279 HG11 VAL 37 HG11 VAL 37 -6.433 7.367 5.095 280 HG12 VAL 37 HG12 VAL 37 -5.422 8.092 3.831 281 HG13 VAL 37 HG13 VAL 37 -5.776 9.002 5.306 282 HG21 VAL 37 HG21 VAL 37 -8.298 6.968 3.415 283 HG22 VAL 37 HG22 VAL 37 -8.784 8.307 2.349 284 HG23 VAL 37 HG23 VAL 37 -7.173 7.603 2.197 285 H GLN 38 H GLN 38 -10.491 7.736 4.673 286 HA GLN 38 HA GLN 38 -10.061 6.461 7.359 287 HB2 GLN 38 HB2 GLN 38 -12.398 5.844 7.343 288 HB3 GLN 38 HB3 GLN 38 -12.188 7.582 7.253 289 HG2 GLN 38 HG2 GLN 38 -13.003 7.708 5.049 290 HG3 GLN 38 HG3 GLN 38 -12.637 6.013 4.699 291 HE21 GLN 38 HE22 GLN 38 -14.836 7.921 6.852 292 HE22 GLN 38 HE21 GLN 38 -16.033 6.619 6.764 293 H ARG 39 H ARG 39 -10.451 4.162 7.575 294 HA ARG 39 HA ARG 39 -9.156 2.646 5.479 295 HB2 ARG 39 HB2 ARG 39 -9.029 0.900 6.995 296 HB3 ARG 39 HB3 ARG 39 -8.799 2.370 7.916 297 HG2 ARG 39 HG2 ARG 39 -11.324 2.150 8.520 298 HG3 ARG 39 HG3 ARG 39 -11.184 0.494 7.898 299 HD2 ARG 39 HD2 ARG 39 -9.216 0.139 9.421 300 HD3 ARG 39 HD3 ARG 39 -9.510 1.764 10.083 301 HE ARG 39 HE ARG 39 -11.940 0.337 10.280 302 HH11 ARG 39 HH11 ARG 39 -8.680 -0.073 11.696 303 HH12 ARG 39 HH12 ARG 39 -9.373 -0.917 13.064 304 HH21 ARG 39 HH21 ARG 39 -12.636 -0.619 12.196 305 HH22 ARG 39 HH22 ARG 39 -11.407 -1.178 13.325 306 H GLY 40 H GLY 40 -11.549 3.702 4.573 307 HA2 GLY 40 HA2 GLY 40 -12.472 1.342 3.079 308 HA3 GLY 40 HA3 GLY 40 -13.727 2.299 3.881 309 H ASP 41 H ASP 41 -10.966 4.106 2.720 310 HA ASP 41 HA ASP 41 -12.633 5.352 0.628 311 HB2 ASP 41 HB2 ASP 41 -10.003 6.055 1.938 312 HB3 ASP 41 HB3 ASP 41 -10.469 6.803 0.417 313 H ILE 42 H ILE 42 -11.866 5.770 -1.510 314 HA ILE 42 HA ILE 42 -10.627 3.345 -2.701 315 HB ILE 42 HB ILE 42 -12.527 5.415 -3.829 316 HG12 ILE 42 HG12 ILE 42 -13.684 4.024 -2.216 317 HG13 ILE 42 HG13 ILE 42 -14.182 3.613 -3.843 318 HG21 ILE 42 HG21 ILE 42 -11.274 2.952 -5.088 319 HG22 ILE 42 HG22 ILE 42 -12.746 3.726 -5.719 320 HG23 ILE 42 HG23 ILE 42 -11.239 4.634 -5.674 321 HD11 ILE 42 HD11 ILE 42 -12.710 1.581 -3.763 322 HD12 ILE 42 HD12 ILE 42 -12.308 1.991 -2.075 323 HD13 ILE 42 HD13 ILE 42 -13.971 1.595 -2.518 324 H ILE 43 H ILE 43 -8.626 3.447 -3.495 325 HA ILE 43 HA ILE 43 -7.480 6.002 -4.412 326 HB ILE 43 HB ILE 43 -6.186 3.483 -3.316 327 HG12 ILE 43 HG12 ILE 43 -7.646 4.290 -1.558 328 HG13 ILE 43 HG13 ILE 43 -5.956 4.460 -1.152 329 HG21 ILE 43 HG21 ILE 43 -4.632 4.897 -4.553 330 HG22 ILE 43 HG22 ILE 43 -5.111 6.309 -3.585 331 HG23 ILE 43 HG23 ILE 43 -4.261 4.949 -2.828 332 HD11 ILE 43 HD11 ILE 43 -7.343 6.370 -0.394 333 HD12 ILE 43 HD12 ILE 43 -6.040 6.873 -1.478 334 HD13 ILE 43 HD13 ILE 43 -7.714 6.769 -2.079 335 H LYS 44 H LYS 44 -7.156 6.145 -6.584 336 HA LYS 44 HA LYS 44 -6.513 3.797 -8.282 337 HB2 LYS 44 HB2 LYS 44 -6.912 6.773 -8.728 338 HB3 LYS 44 HB3 LYS 44 -6.165 5.791 -9.975 339 HG2 LYS 44 HG2 LYS 44 -8.854 4.984 -8.808 340 HG3 LYS 44 HG3 LYS 44 -8.727 6.221 -10.069 341 HD2 LYS 44 HD2 LYS 44 -7.560 4.639 -11.563 342 HD3 LYS 44 HD3 LYS 44 -7.619 3.397 -10.312 343 HE2 LYS 44 HE2 LYS 44 -9.308 2.933 -11.932 344 HE3 LYS 44 HE3 LYS 44 -10.115 3.407 -10.423 345 HZ1 LYS 44 HZ1 LYS 44 -10.962 4.356 -12.575 346 HZ2 LYS 44 HZ2 LYS 44 -10.754 5.414 -11.347 347 HZ3 LYS 44 HZ3 LYS 44 -9.649 5.359 -12.600 348 H VAL 45 H VAL 45 -4.492 2.993 -8.495 349 HA VAL 45 HA VAL 45 -2.205 4.700 -7.621 350 HB VAL 45 HB VAL 45 -2.457 2.592 -6.456 351 HG11 VAL 45 HG11 VAL 45 -1.860 1.261 -9.128 352 HG12 VAL 45 HG12 VAL 45 -1.868 0.463 -7.546 353 HG13 VAL 45 HG13 VAL 45 -3.361 1.165 -8.174 354 HG21 VAL 45 HG21 VAL 45 -0.160 1.846 -6.562 355 HG22 VAL 45 HG22 VAL 45 0.088 2.609 -8.141 356 HG23 VAL 45 HG23 VAL 45 -0.203 3.610 -6.698 357 H VAL 46 H VAL 46 -0.597 5.334 -8.877 358 HA VAL 46 HA VAL 46 -0.901 5.059 -11.760 359 HB VAL 46 HB VAL 46 0.822 6.750 -11.960 360 HG11 VAL 46 HG11 VAL 46 -0.319 8.579 -10.846 361 HG12 VAL 46 HG12 VAL 46 -1.498 7.423 -11.487 362 HG13 VAL 46 HG13 VAL 46 -1.143 7.452 -9.753 363 HG21 VAL 46 HG21 VAL 46 2.402 6.187 -10.222 364 HG22 VAL 46 HG22 VAL 46 1.831 7.837 -9.978 365 HG23 VAL 46 HG23 VAL 46 1.207 6.528 -8.954 366 HA PRO 47 HA PRO 47 2.336 2.068 -12.581 367 HB2 PRO 47 HB2 PRO 47 3.373 2.984 -14.951 368 HB3 PRO 47 HB3 PRO 47 1.792 2.152 -14.818 369 HG2 PRO 47 HG2 PRO 47 2.309 5.146 -14.855 370 HG3 PRO 47 HG3 PRO 47 1.142 4.215 -15.848 371 HD2 PRO 47 HD2 PRO 47 0.320 5.457 -13.632 372 HD3 PRO 47 HD3 PRO 47 -0.273 3.813 -13.988 373 H GLY 48 H GLY 48 4.514 1.888 -12.147 374 HA2 GLY 48 HA2 GLY 48 6.682 2.510 -11.608 375 HA3 GLY 48 HA3 GLY 48 6.337 4.138 -12.167 376 H GLY 49 H GLY 49 3.953 3.972 -10.037 377 HA2 GLY 49 HA2 GLY 49 5.352 5.564 -8.063 378 HA3 GLY 49 HA3 GLY 49 3.641 5.159 -8.093 379 H LYS 50 H LYS 50 4.279 5.229 -5.708 380 HA LYS 50 HA LYS 50 4.836 2.441 -4.753 381 HB2 LYS 50 HB2 LYS 50 5.183 5.020 -3.184 382 HB3 LYS 50 HB3 LYS 50 5.481 3.376 -2.609 383 HG2 LYS 50 HG2 LYS 50 7.274 3.151 -4.363 384 HG3 LYS 50 HG3 LYS 50 7.046 4.867 -4.755 385 HD2 LYS 50 HD2 LYS 50 7.533 5.435 -2.349 386 HD3 LYS 50 HD3 LYS 50 7.850 3.713 -2.046 387 HE2 LYS 50 HE2 LYS 50 9.622 3.839 -3.886 388 HE3 LYS 50 HE3 LYS 50 9.385 5.590 -3.899 389 HZ1 LYS 50 HZ1 LYS 50 11.217 4.908 -2.429 390 HZ2 LYS 50 HZ2 LYS 50 10.042 5.636 -1.554 391 HZ3 LYS 50 HZ3 LYS 50 10.197 3.999 -1.519 392 H PHE 51 H PHE 51 3.581 1.697 -2.961 393 HA PHE 51 HA PHE 51 0.760 2.598 -3.070 394 HB2 PHE 51 HB2 PHE 51 2.112 0.168 -1.880 395 HB3 PHE 51 HB3 PHE 51 0.405 0.521 -1.677 396 HD1 PHE 51 HD2 PHE 51 3.008 -0.438 -4.149 397 HD2 PHE 51 HD1 PHE 51 -1.197 0.191 -3.471 398 HE1 PHE 51 HE2 PHE 51 2.505 -1.554 -6.298 399 HE2 PHE 51 HE1 PHE 51 -1.703 -0.950 -5.614 400 HZ PHE 51 HZ PHE 51 0.144 -1.818 -7.041 401 HA PRO 52 HA PRO 52 1.586 4.605 0.909 402 HB2 PRO 52 HB2 PRO 52 -0.484 6.332 1.042 403 HB3 PRO 52 HB3 PRO 52 0.778 6.471 -0.219 404 HG2 PRO 52 HG2 PRO 52 -1.952 5.161 -0.461 405 HG3 PRO 52 HG3 PRO 52 -1.205 6.364 -1.554 406 HD2 PRO 52 HD2 PRO 52 -1.100 3.645 -2.012 407 HD3 PRO 52 HD3 PRO 52 0.207 4.760 -2.507 408 H VAL 53 H VAL 53 -1.049 2.432 0.457 409 HA VAL 53 HA VAL 53 -1.361 1.958 3.301 410 HB VAL 53 HB VAL 53 -3.934 1.896 3.035 411 HG11 VAL 53 HG11 VAL 53 -2.719 3.347 4.616 412 HG12 VAL 53 HG12 VAL 53 -2.604 4.606 3.366 413 HG13 VAL 53 HG13 VAL 53 -4.190 4.094 3.979 414 HG21 VAL 53 HG21 VAL 53 -4.965 3.566 1.660 415 HG22 VAL 53 HG22 VAL 53 -3.400 4.158 1.087 416 HG23 VAL 53 HG23 VAL 53 -3.971 2.536 0.607 417 H ASP 54 H ASP 54 -2.720 -0.088 3.635 418 HA ASP 54 HA ASP 54 -2.266 -1.881 1.319 419 HB2 ASP 54 HB2 ASP 54 -1.967 -3.685 2.619 420 HB3 ASP 54 HB3 ASP 54 -1.099 -2.423 3.467 421 H GLY 55 H GLY 55 -3.785 -3.122 0.388 422 HA2 GLY 55 HA2 GLY 55 -6.610 -2.977 1.103 423 HA3 GLY 55 HA3 GLY 55 -6.152 -1.852 -0.165 424 H ARG 56 H ARG 56 -7.976 -3.479 -0.856 425 HA ARG 56 HA ARG 56 -6.797 -5.782 -2.346 426 HB2 ARG 56 HB2 ARG 56 -8.711 -6.104 -0.746 427 HB3 ARG 56 HB3 ARG 56 -9.748 -5.246 -1.883 428 HG2 ARG 56 HG2 ARG 56 -9.434 -6.938 -3.572 429 HG3 ARG 56 HG3 ARG 56 -8.109 -7.684 -2.677 430 HD2 ARG 56 HD2 ARG 56 -10.968 -7.647 -1.693 431 HD3 ARG 56 HD3 ARG 56 -10.206 -8.951 -2.614 432 HE ARG 56 HE ARG 56 -9.317 -8.085 0.117 433 HH11 ARG 56 HH11 ARG 56 -9.919 -10.789 -2.104 434 HH12 ARG 56 HH12 ARG 56 -9.199 -11.915 -0.991 435 HH21 ARG 56 HH21 ARG 56 -8.348 -9.637 1.398 436 HH22 ARG 56 HH22 ARG 56 -8.148 -11.241 0.757 437 H VAL 57 H VAL 57 -7.188 -6.155 -4.523 438 HA VAL 57 HA VAL 57 -7.227 -3.669 -6.172 439 HB VAL 57 HB VAL 57 -6.133 -6.450 -6.796 440 HG11 VAL 57 HG11 VAL 57 -4.994 -5.314 -8.675 441 HG12 VAL 57 HG12 VAL 57 -6.738 -5.237 -8.833 442 HG13 VAL 57 HG13 VAL 57 -5.854 -3.804 -8.270 443 HG21 VAL 57 HG21 VAL 57 -3.887 -5.485 -6.570 444 HG22 VAL 57 HG22 VAL 57 -4.592 -3.957 -6.010 445 HG23 VAL 57 HG23 VAL 57 -4.758 -5.430 -5.033 446 H ILE 58 H ILE 58 -8.973 -3.379 -7.485 447 HA ILE 58 HA ILE 58 -10.491 -5.786 -8.447 448 HB ILE 58 HB ILE 58 -12.606 -4.356 -7.847 449 HG12 ILE 58 HG12 ILE 58 -10.709 -3.311 -5.710 450 HG13 ILE 58 HG13 ILE 58 -11.105 -2.360 -7.155 451 HG21 ILE 58 HG21 ILE 58 -11.050 -5.713 -5.621 452 HG22 ILE 58 HG22 ILE 58 -12.804 -5.486 -5.731 453 HG23 ILE 58 HG23 ILE 58 -11.987 -6.552 -6.878 454 HD11 ILE 58 HD11 ILE 58 -13.125 -3.290 -5.078 455 HD12 ILE 58 HD12 ILE 58 -12.490 -1.648 -5.295 456 HD13 ILE 58 HD13 ILE 58 -13.487 -2.373 -6.564 457 H GLU 59 H GLU 59 -8.688 -3.820 -9.830 458 HA GLU 59 HA GLU 59 -10.046 -4.131 -12.300 459 HB2 GLU 59 HB2 GLU 59 -10.915 -1.793 -11.276 460 HB3 GLU 59 HB3 GLU 59 -9.327 -1.248 -11.748 461 HG2 GLU 59 HG2 GLU 59 -10.753 -0.701 -13.501 462 HG3 GLU 59 HG3 GLU 59 -9.777 -2.027 -14.104 463 H GLY 60 H GLY 60 -8.483 -4.174 -13.975 464 HA2 GLY 60 HA2 GLY 60 -6.581 -3.502 -15.131 465 HA3 GLY 60 HA3 GLY 60 -5.986 -2.658 -13.713 466 H HIS 61 H HIS 61 -4.031 -3.632 -14.700 467 HA HIS 61 HA HIS 61 -3.275 -6.146 -13.343 468 HB2 HIS 61 HB2 HIS 61 -2.371 -7.112 -15.499 469 HB3 HIS 61 HB3 HIS 61 -4.107 -7.176 -15.253 470 HD1 HIS 61 HD1 HIS 61 -5.644 -5.757 -16.941 471 HD2 HIS 61 HD2 HIS 61 -1.488 -5.615 -17.589 472 HE1 HIS 61 HE1 HIS 61 -5.306 -4.666 -19.229 473 H SER 62 H SER 62 -1.416 -5.846 -12.443 474 HA SER 62 HA SER 62 0.742 -4.222 -13.678 475 HB2 SER 62 HB2 SER 62 -0.580 -2.600 -12.347 476 HB3 SER 62 HB3 SER 62 -0.457 -3.603 -10.966 477 HG SER 62 HG SER 62 1.732 -2.392 -12.243 478 H MET 63 H MET 63 2.813 -4.316 -12.390 479 HA MET 63 HA MET 63 3.131 -6.918 -10.989 480 HB2 MET 63 HB2 MET 63 4.057 -7.069 -13.214 481 HB3 MET 63 HB3 MET 63 5.033 -5.615 -12.965 482 HG2 MET 63 HG2 MET 63 6.407 -6.668 -11.360 483 HG3 MET 63 HG3 MET 63 5.281 -8.010 -11.116 484 HE1 MET 63 HE1 MET 63 5.324 -10.209 -12.296 485 HE2 MET 63 HE2 MET 63 4.487 -9.346 -13.609 486 HE3 MET 63 HE3 MET 63 5.850 -10.422 -13.983 487 H VAL 64 H VAL 64 3.919 -6.792 -9.053 488 HA VAL 64 HA VAL 64 4.853 -4.170 -7.974 489 HB VAL 64 HB VAL 64 3.136 -6.293 -6.637 490 HG11 VAL 64 HG11 VAL 64 3.941 -3.515 -5.663 491 HG12 VAL 64 HG12 VAL 64 2.747 -4.575 -4.887 492 HG13 VAL 64 HG13 VAL 64 4.436 -5.064 -4.945 493 HG21 VAL 64 HG21 VAL 64 1.846 -5.119 -8.358 494 HG22 VAL 64 HG22 VAL 64 1.346 -4.540 -6.766 495 HG23 VAL 64 HG23 VAL 64 2.428 -3.552 -7.773 496 H ASP 65 H ASP 65 6.440 -4.044 -6.504 497 HA ASP 65 HA ASP 65 8.267 -6.365 -6.177 498 HB2 ASP 65 HB2 ASP 65 9.081 -4.348 -7.242 499 HB3 ASP 65 HB3 ASP 65 8.568 -3.357 -5.876 500 H GLU 66 H GLU 66 7.241 -7.502 -4.482 501 HA GLU 66 HA GLU 66 6.576 -6.128 -1.968 502 HB2 GLU 66 HB2 GLU 66 6.315 -9.097 -2.506 503 HB3 GLU 66 HB3 GLU 66 5.458 -8.100 -1.323 504 HG2 GLU 66 HG2 GLU 66 4.465 -6.881 -3.394 505 HG3 GLU 66 HG3 GLU 66 5.066 -8.282 -4.309 506 H SER 67 H SER 67 9.474 -6.921 -2.996 507 HA SER 67 HA SER 67 10.674 -8.918 -1.631 508 HB2 SER 67 HB2 SER 67 11.704 -7.608 -3.411 509 HB3 SER 67 HB3 SER 67 11.843 -6.203 -2.344 510 HG SER 67 HG SER 67 13.772 -7.539 -2.578 511 H LEU 68 H LEU 68 10.456 -5.566 -0.228 512 HA LEU 68 HA LEU 68 12.029 -6.474 2.069 513 HB2 LEU 68 HB2 LEU 68 12.111 -4.184 1.076 514 HB3 LEU 68 HB3 LEU 68 10.460 -3.889 1.574 515 HG LEU 68 HG LEU 68 12.194 -2.763 2.920 516 HD11 LEU 68 HD11 LEU 68 10.781 -4.665 4.799 517 HD12 LEU 68 HD12 LEU 68 11.227 -2.980 5.024 518 HD13 LEU 68 HD13 LEU 68 9.918 -3.398 3.900 519 HD21 LEU 68 HD21 LEU 68 13.912 -4.537 2.912 520 HD22 LEU 68 HD22 LEU 68 13.549 -3.939 4.542 521 HD23 LEU 68 HD23 LEU 68 12.908 -5.505 4.018 522 H ILE 69 H ILE 69 8.627 -6.118 1.408 523 HA ILE 69 HA ILE 69 7.823 -6.282 4.243 524 HB ILE 69 HB ILE 69 6.029 -6.654 1.825 525 HG12 ILE 69 HG12 ILE 69 7.205 -4.447 1.648 526 HG13 ILE 69 HG13 ILE 69 5.475 -4.372 1.780 527 HG21 ILE 69 HG21 ILE 69 4.295 -5.823 3.525 528 HG22 ILE 69 HG22 ILE 69 4.975 -7.421 3.852 529 HG23 ILE 69 HG23 ILE 69 5.537 -6.011 4.766 530 HD11 ILE 69 HD11 ILE 69 7.346 -3.832 4.105 531 HD12 ILE 69 HD12 ILE 69 6.574 -2.606 3.067 532 HD13 ILE 69 HD13 ILE 69 5.568 -3.645 4.083 533 H THR 70 H THR 70 7.657 -8.436 1.414 534 HA THR 70 HA THR 70 6.947 -10.725 3.171 535 HB THR 70 HB THR 70 6.089 -11.783 1.190 536 HG1 THR 70 HG1 THR 70 7.069 -9.478 -0.170 537 HG21 THR 70 HG21 THR 70 4.672 -10.066 2.372 538 HG22 THR 70 HG22 THR 70 5.159 -8.881 1.144 539 HG23 THR 70 HG23 THR 70 4.253 -10.330 0.671 540 H GLY 71 H GLY 71 9.745 -9.658 1.518 541 HA2 GLY 71 HA2 GLY 71 11.856 -10.528 1.740 542 HA3 GLY 71 HA3 GLY 71 11.206 -12.032 2.386 543 H GLU 72 H GLU 72 9.507 -11.739 -0.375 544 HA GLU 72 HA GLU 72 10.588 -13.975 -1.570 545 HB2 GLU 72 HB2 GLU 72 9.174 -11.786 -3.129 546 HB3 GLU 72 HB3 GLU 72 9.264 -13.488 -3.554 547 HG2 GLU 72 HG2 GLU 72 7.827 -12.409 -1.113 548 HG3 GLU 72 HG3 GLU 72 7.085 -12.685 -2.679 549 H ALA 73 H ALA 73 11.125 -10.670 -2.858 550 HA ALA 73 HA ALA 73 12.721 -9.678 -4.008 551 HB1 ALA 73 HB1 ALA 73 14.287 -10.300 -2.280 552 HB2 ALA 73 HB2 ALA 73 14.620 -11.837 -3.082 553 HB3 ALA 73 HB3 ALA 73 15.061 -10.311 -3.875 554 H MET 74 H MET 74 10.876 -10.871 -5.213 555 HA MET 74 HA MET 74 11.853 -11.243 -7.888 556 HB2 MET 74 HB2 MET 74 10.377 -13.233 -8.286 557 HB3 MET 74 HB3 MET 74 11.883 -13.553 -7.427 558 HG2 MET 74 HG2 MET 74 10.679 -13.718 -5.312 559 HG3 MET 74 HG3 MET 74 9.168 -13.236 -6.089 560 HE1 MET 74 HE1 MET 74 11.237 -17.349 -6.541 561 HE2 MET 74 HE2 MET 74 11.937 -15.920 -7.328 562 HE3 MET 74 HE3 MET 74 11.833 -15.999 -5.552 563 HA PRO 75 HA PRO 75 8.241 -8.620 -8.105 564 HB2 PRO 75 HB2 PRO 75 8.278 -9.357 -11.026 565 HB3 PRO 75 HB3 PRO 75 8.118 -7.733 -10.269 566 HG2 PRO 75 HG2 PRO 75 10.484 -8.510 -11.313 567 HG3 PRO 75 HG3 PRO 75 10.442 -7.695 -9.713 568 HD2 PRO 75 HD2 PRO 75 10.659 -10.665 -10.299 569 HD3 PRO 75 HD3 PRO 75 11.578 -9.652 -9.146 570 H VAL 76 H VAL 76 6.021 -8.759 -8.083 571 HA VAL 76 HA VAL 76 4.764 -11.425 -8.639 572 HB VAL 76 HB VAL 76 4.061 -9.423 -6.458 573 HG11 VAL 76 HG11 VAL 76 3.121 -12.287 -6.933 574 HG12 VAL 76 HG12 VAL 76 2.731 -11.291 -5.517 575 HG13 VAL 76 HG13 VAL 76 2.130 -10.820 -7.110 576 HG21 VAL 76 HG21 VAL 76 6.236 -10.422 -5.931 577 HG22 VAL 76 HG22 VAL 76 4.998 -11.109 -4.883 578 HG23 VAL 76 HG23 VAL 76 5.604 -12.049 -6.265 579 H ALA 77 H ALA 77 3.003 -11.522 -9.946 580 HA ALA 77 HA ALA 77 2.038 -9.021 -11.157 581 HB1 ALA 77 HB1 ALA 77 0.915 -10.528 -12.732 582 HB2 ALA 77 HB2 ALA 77 2.628 -10.950 -12.561 583 HB3 ALA 77 HB3 ALA 77 1.387 -11.931 -11.750 584 H LYS 78 H LYS 78 0.043 -8.184 -11.046 585 HA LYS 78 HA LYS 78 -1.991 -9.352 -9.162 586 HB2 LYS 78 HB2 LYS 78 -1.467 -6.426 -9.793 587 HB3 LYS 78 HB3 LYS 78 -2.606 -7.043 -8.603 588 HG2 LYS 78 HG2 LYS 78 0.434 -7.283 -8.466 589 HG3 LYS 78 HG3 LYS 78 -0.556 -6.130 -7.586 590 HD2 LYS 78 HD2 LYS 78 -1.621 -7.879 -6.287 591 HD3 LYS 78 HD3 LYS 78 -0.789 -9.148 -7.208 592 HE2 LYS 78 HE2 LYS 78 1.381 -8.417 -6.388 593 HE3 LYS 78 HE3 LYS 78 0.663 -7.007 -5.599 594 HZ1 LYS 78 HZ1 LYS 78 0.118 -9.831 -4.834 595 HZ2 LYS 78 HZ2 LYS 78 1.063 -8.773 -3.997 596 HZ3 LYS 78 HZ3 LYS 78 -0.541 -8.512 -4.118 597 H LYS 79 H LYS 79 -4.229 -8.779 -9.491 598 HA LYS 79 HA LYS 79 -5.212 -8.155 -12.201 599 HB2 LYS 79 HB2 LYS 79 -6.374 -10.305 -12.359 600 HB3 LYS 79 HB3 LYS 79 -4.639 -10.557 -12.278 601 HG2 LYS 79 HG2 LYS 79 -4.767 -11.285 -9.984 602 HG3 LYS 79 HG3 LYS 79 -6.484 -10.863 -9.866 603 HD2 LYS 79 HD2 LYS 79 -5.287 -12.979 -11.693 604 HD3 LYS 79 HD3 LYS 79 -6.064 -13.284 -10.130 605 HE2 LYS 79 HE2 LYS 79 -8.168 -12.199 -11.049 606 HE3 LYS 79 HE3 LYS 79 -7.383 -12.156 -12.640 607 HZ1 LYS 79 HZ1 LYS 79 -7.157 -14.593 -12.484 608 HZ2 LYS 79 HZ2 LYS 79 -7.947 -14.604 -11.055 609 HZ3 LYS 79 HZ3 LYS 79 -8.731 -14.135 -12.436 610 HA PRO 80 HA PRO 80 -8.818 -6.990 -9.627 611 HB2 PRO 80 HB2 PRO 80 -11.019 -8.052 -10.933 612 HB3 PRO 80 HB3 PRO 80 -10.187 -6.551 -11.436 613 HG2 PRO 80 HG2 PRO 80 -9.761 -9.358 -12.515 614 HG3 PRO 80 HG3 PRO 80 -10.022 -7.842 -13.441 615 HD2 PRO 80 HD2 PRO 80 -7.533 -8.759 -13.087 616 HD3 PRO 80 HD3 PRO 80 -7.867 -7.027 -12.877 617 H GLY 81 H GLY 81 -9.267 -7.971 -7.737 618 HA2 GLY 81 HA2 GLY 81 -9.755 -9.679 -6.200 619 HA3 GLY 81 HA3 GLY 81 -9.720 -10.895 -7.478 620 H SER 82 H SER 82 -7.278 -8.433 -6.459 621 HA SER 82 HA SER 82 -5.476 -10.576 -5.422 622 HB2 SER 82 HB2 SER 82 -4.583 -8.116 -6.989 623 HB3 SER 82 HB3 SER 82 -3.523 -9.238 -6.131 624 HG SER 82 HG SER 82 -4.148 -10.879 -7.580 625 H THR 83 H THR 83 -3.874 -9.522 -3.834 626 HA THR 83 HA THR 83 -4.938 -6.951 -2.679 627 HB THR 83 HB THR 83 -4.215 -7.645 -0.433 628 HG1 THR 83 HG1 THR 83 -4.368 -10.292 -1.290 629 HG21 THR 83 HG21 THR 83 -6.127 -9.158 0.035 630 HG22 THR 83 HG22 THR 83 -6.576 -7.734 -0.906 631 HG23 THR 83 HG23 THR 83 -6.433 -9.306 -1.712 632 H VAL 84 H VAL 84 -3.499 -5.572 -1.613 633 HA VAL 84 HA VAL 84 -0.610 -5.878 -2.241 634 HB VAL 84 HB VAL 84 -0.562 -3.474 -2.957 635 HG11 VAL 84 HG11 VAL 84 -2.158 -5.323 -4.759 636 HG12 VAL 84 HG12 VAL 84 -1.245 -3.884 -5.259 637 HG13 VAL 84 HG13 VAL 84 -0.390 -5.282 -4.586 638 HG21 VAL 84 HG21 VAL 84 -2.556 -2.373 -3.764 639 HG22 VAL 84 HG22 VAL 84 -3.575 -3.754 -3.322 640 HG23 VAL 84 HG23 VAL 84 -2.792 -2.778 -2.062 641 H ILE 85 H ILE 85 0.742 -4.329 -1.182 642 HA ILE 85 HA ILE 85 -0.233 -3.425 1.457 643 HB ILE 85 HB ILE 85 1.680 -4.247 2.564 644 HG12 ILE 85 HG12 ILE 85 3.451 -4.064 1.024 645 HG13 ILE 85 HG13 ILE 85 3.350 -5.738 1.553 646 HG21 ILE 85 HG21 ILE 85 1.311 -6.623 2.527 647 HG22 ILE 85 HG22 ILE 85 -0.232 -5.769 2.351 648 HG23 ILE 85 HG23 ILE 85 0.526 -6.532 0.939 649 HD11 ILE 85 HD11 ILE 85 2.644 -4.624 -1.162 650 HD12 ILE 85 HD12 ILE 85 3.919 -5.768 -0.725 651 HD13 ILE 85 HD13 ILE 85 2.226 -6.287 -0.651 652 H ALA 86 H ALA 86 0.993 -1.799 2.514 653 HA ALA 86 HA ALA 86 1.736 0.255 0.665 654 HB1 ALA 86 HB1 ALA 86 2.022 0.311 3.693 655 HB2 ALA 86 HB2 ALA 86 1.799 1.677 2.589 656 HB3 ALA 86 HB3 ALA 86 0.477 0.537 2.853 657 H GLY 87 H GLY 87 3.667 1.526 0.696 658 HA2 GLY 87 HA2 GLY 87 5.964 1.962 0.831 659 HA3 GLY 87 HA3 GLY 87 6.145 0.579 1.921 660 H SER 88 H SER 88 4.594 -0.750 -0.620 661 HA SER 88 HA SER 88 7.057 -1.792 -1.902 662 HB2 SER 88 HB2 SER 88 4.146 -2.623 -2.123 663 HB3 SER 88 HB3 SER 88 5.504 -3.396 -2.972 664 HG SER 88 HG SER 88 5.278 -3.076 -0.157 665 H ILE 89 H ILE 89 7.048 -2.023 -4.290 666 HA ILE 89 HA ILE 89 6.319 0.622 -5.458 667 HB ILE 89 HB ILE 89 8.481 -1.066 -6.642 668 HG12 ILE 89 HG12 ILE 89 9.143 -1.230 -4.298 669 HG13 ILE 89 HG13 ILE 89 10.243 -0.265 -5.247 670 HG21 ILE 89 HG21 ILE 89 7.818 1.025 -7.715 671 HG22 ILE 89 HG22 ILE 89 8.120 1.934 -6.226 672 HG23 ILE 89 HG23 ILE 89 9.464 1.154 -7.093 673 HD11 ILE 89 HD11 ILE 89 8.142 0.941 -3.392 674 HD12 ILE 89 HD12 ILE 89 9.841 0.656 -2.978 675 HD13 ILE 89 HD13 ILE 89 9.434 1.800 -4.264 676 H ASN 90 H ASN 90 5.401 0.809 -7.454 677 HA ASN 90 HA ASN 90 4.407 -1.606 -8.884 678 HB2 ASN 90 HB2 ASN 90 2.751 0.060 -8.321 679 HB3 ASN 90 HB3 ASN 90 3.710 1.374 -8.969 680 HD21 ASN 90 HD22 ASN 90 0.976 0.738 -9.636 681 HD22 ASN 90 HD21 ASN 90 0.963 0.364 -11.351 682 H GLN 91 H GLN 91 5.257 -2.218 -10.841 683 HA GLN 91 HA GLN 91 7.551 -0.726 -11.987 684 HB2 GLN 91 HB2 GLN 91 7.678 -3.164 -11.800 685 HB3 GLN 91 HB3 GLN 91 6.218 -3.342 -12.767 686 HG2 GLN 91 HG2 GLN 91 8.204 -3.782 -14.101 687 HG3 GLN 91 HG3 GLN 91 7.339 -2.385 -14.731 688 HE21 GLN 91 HE22 GLN 91 8.427 -0.327 -14.793 689 HE22 GLN 91 HE21 GLN 91 10.032 -0.113 -14.131 690 H ASN 92 H ASN 92 4.631 -2.186 -13.502 691 HA ASN 92 HA ASN 92 3.776 0.354 -14.594 692 HB2 ASN 92 HB2 ASN 92 5.258 -0.559 -16.404 693 HB3 ASN 92 HB3 ASN 92 4.338 -2.070 -16.386 694 HD21 ASN 92 HD22 ASN 92 2.779 -2.136 -18.033 695 HD22 ASN 92 HD21 ASN 92 1.821 -0.731 -18.468 696 H GLY 93 H GLY 93 1.420 0.034 -15.411 697 HA2 GLY 93 HA2 GLY 93 -0.442 -1.270 -15.633 698 HA3 GLY 93 HA3 GLY 93 -0.001 -2.222 -14.236 699 H SER 94 H SER 94 -2.408 -0.543 -14.952 700 HA SER 94 HA SER 94 -2.342 1.635 -12.886 701 HB2 SER 94 HB2 SER 94 -3.767 1.413 -15.562 702 HB3 SER 94 HB3 SER 94 -4.088 2.676 -14.361 703 HG SER 94 HG SER 94 -1.640 2.157 -15.744 704 H LEU 95 H LEU 95 -3.188 0.656 -11.117 705 HA LEU 95 HA LEU 95 -5.587 -1.118 -11.376 706 HB2 LEU 95 HB2 LEU 95 -3.546 -0.802 -9.175 707 HB3 LEU 95 HB3 LEU 95 -4.885 -1.931 -9.136 708 HG LEU 95 HG LEU 95 -2.428 -2.007 -10.929 709 HD11 LEU 95 HD11 LEU 95 -1.908 -2.551 -8.627 710 HD12 LEU 95 HD12 LEU 95 -3.323 -3.612 -8.494 711 HD13 LEU 95 HD13 LEU 95 -1.970 -4.073 -9.529 712 HD21 LEU 95 HD21 LEU 95 -4.314 -2.958 -12.094 713 HD22 LEU 95 HD22 LEU 95 -3.247 -4.271 -11.551 714 HD23 LEU 95 HD23 LEU 95 -4.766 -3.943 -10.694 715 H LEU 96 H LEU 96 -7.282 -1.046 -9.988 716 HA LEU 96 HA LEU 96 -7.754 1.492 -8.481 717 HB2 LEU 96 HB2 LEU 96 -9.240 0.682 -10.416 718 HB3 LEU 96 HB3 LEU 96 -9.825 -0.566 -9.317 719 HG LEU 96 HG LEU 96 -9.973 2.440 -8.836 720 HD11 LEU 96 HD11 LEU 96 -12.171 0.490 -9.653 721 HD12 LEU 96 HD12 LEU 96 -12.338 2.248 -9.445 722 HD13 LEU 96 HD13 LEU 96 -11.369 1.599 -10.778 723 HD21 LEU 96 HD21 LEU 96 -10.105 1.402 -6.712 724 HD22 LEU 96 HD22 LEU 96 -11.722 1.881 -7.208 725 HD23 LEU 96 HD23 LEU 96 -11.252 0.166 -7.311 726 H ILE 97 H ILE 97 -7.339 1.354 -6.336 727 HA ILE 97 HA ILE 97 -7.507 -1.270 -4.983 728 HB ILE 97 HB ILE 97 -6.061 1.174 -3.970 729 HG12 ILE 97 HG12 ILE 97 -5.095 0.944 -6.169 730 HG13 ILE 97 HG13 ILE 97 -3.964 0.537 -4.900 731 HG21 ILE 97 HG21 ILE 97 -5.689 -1.808 -3.499 732 HG22 ILE 97 HG22 ILE 97 -4.665 -0.525 -2.814 733 HG23 ILE 97 HG23 ILE 97 -6.372 -0.624 -2.372 734 HD11 ILE 97 HD11 ILE 97 -5.454 -1.502 -6.598 735 HD12 ILE 97 HD12 ILE 97 -3.767 -0.979 -6.810 736 HD13 ILE 97 HD13 ILE 97 -4.237 -1.848 -5.345 737 H CYS 98 H CYS 98 -9.005 -1.582 -3.393 738 HA CYS 98 HA CYS 98 -10.203 0.809 -2.040 739 HB2 CYS 98 HB2 CYS 98 -11.952 -0.739 -1.257 740 HB3 CYS 98 HB3 CYS 98 -11.878 -0.620 -3.021 741 HG CYS 98 HG CYS 98 -10.304 -2.885 -1.219 742 H ALA 99 H ALA 99 -9.574 1.335 -0.047 743 HA ALA 99 HA ALA 99 -7.405 -0.199 1.153 744 HB1 ALA 99 HB1 ALA 99 -8.813 2.334 2.085 745 HB2 ALA 99 HB2 ALA 99 -7.270 1.699 2.703 746 HB3 ALA 99 HB3 ALA 99 -7.388 2.263 1.025 747 H THR 100 H THR 100 -7.294 -1.185 3.186 748 HA THR 100 HA THR 100 -9.798 -1.249 4.813 749 HB THR 100 HB THR 100 -9.404 -3.570 5.474 750 HG1 THR 100 HG1 THR 100 -7.862 -4.748 4.732 751 HG21 THR 100 HG21 THR 100 -10.883 -3.198 3.526 752 HG22 THR 100 HG22 THR 100 -9.491 -3.382 2.435 753 HG23 THR 100 HG23 THR 100 -10.028 -4.744 3.441 754 H HIS 101 H HIS 101 -6.529 -0.431 4.865 755 HA HIS 101 HA HIS 101 -6.897 0.138 7.765 756 HB2 HIS 101 HB2 HIS 101 -4.342 -0.824 6.433 757 HB3 HIS 101 HB3 HIS 101 -4.503 -0.279 8.093 758 HD1 HIS 101 HD1 HIS 101 -4.127 -3.345 6.353 759 HD2 HIS 101 HD2 HIS 101 -6.508 -1.962 9.535 760 HE1 HIS 101 HE1 HIS 101 -4.895 -5.428 7.640 761 H VAL 102 H VAL 102 -6.218 2.194 8.367 762 HA VAL 102 HA VAL 102 -5.188 4.084 6.331 763 HB VAL 102 HB VAL 102 -5.094 5.712 8.179 764 HG11 VAL 102 HG11 VAL 102 -7.719 4.288 7.663 765 HG12 VAL 102 HG12 VAL 102 -7.589 5.872 8.420 766 HG13 VAL 102 HG13 VAL 102 -6.996 5.636 6.759 767 HG21 VAL 102 HG21 VAL 102 -4.782 4.154 10.094 768 HG22 VAL 102 HG22 VAL 102 -6.116 5.278 10.321 769 HG23 VAL 102 HG23 VAL 102 -6.464 3.595 9.887 770 H GLY 103 H GLY 103 -3.077 5.462 7.339 771 HA2 GLY 103 HA2 GLY 103 -1.055 3.541 6.538 772 HA3 GLY 103 HA3 GLY 103 -0.786 5.183 7.019 773 H ALA 104 H ALA 104 -1.868 5.112 9.672 774 HA ALA 104 HA ALA 104 0.272 3.880 11.170 775 HB1 ALA 104 HB1 ALA 104 -2.424 4.967 12.098 776 HB2 ALA 104 HB2 ALA 104 -0.993 4.689 13.111 777 HB3 ALA 104 HB3 ALA 104 -0.951 5.927 11.847 778 H ASP 105 H ASP 105 -3.028 2.940 10.544 779 HA ASP 105 HA ASP 105 -3.122 0.517 12.135 780 HB2 ASP 105 HB2 ASP 105 -4.973 2.178 11.418 781 HB3 ASP 105 HB3 ASP 105 -4.997 1.312 9.890 782 H THR 106 H THR 106 -1.529 1.065 9.174 783 HA THR 106 HA THR 106 -2.320 -1.220 7.644 784 HB THR 106 HB THR 106 -0.162 -0.973 6.415 785 HG1 THR 106 HG1 THR 106 0.293 1.333 7.928 786 HG21 THR 106 HG21 THR 106 -1.759 1.535 6.600 787 HG22 THR 106 HG22 THR 106 -0.584 1.127 5.343 788 HG23 THR 106 HG23 THR 106 -2.058 0.151 5.552 789 H THR 107 H THR 107 -1.189 -3.074 7.042 790 HA THR 107 HA THR 107 -0.309 -4.784 9.066 791 HB THR 107 HB THR 107 -1.104 -5.314 6.757 792 HG1 THR 107 HG1 THR 107 -0.324 -6.927 8.016 793 HG21 THR 107 HG21 THR 107 1.805 -4.993 5.926 794 HG22 THR 107 HG22 THR 107 0.459 -5.600 4.943 795 HG23 THR 107 HG23 THR 107 0.477 -3.902 5.445 796 H LEU 108 H LEU 108 1.684 -2.317 7.549 797 HA LEU 108 HA LEU 108 4.305 -3.312 8.141 798 HB2 LEU 108 HB2 LEU 108 3.126 -0.510 7.926 799 HB3 LEU 108 HB3 LEU 108 4.812 -0.789 8.322 800 HG LEU 108 HG LEU 108 5.199 -1.914 6.163 801 HD11 LEU 108 HD11 LEU 108 2.337 -1.084 5.586 802 HD12 LEU 108 HD12 LEU 108 3.533 -1.591 4.359 803 HD13 LEU 108 HD13 LEU 108 2.991 -2.756 5.570 804 HD21 LEU 108 HD21 LEU 108 5.543 0.500 6.503 805 HD22 LEU 108 HD22 LEU 108 5.016 0.169 4.839 806 HD23 LEU 108 HD23 LEU 108 3.858 0.811 6.036 807 H SER 109 H SER 109 1.979 -1.439 10.182 808 HA SER 109 HA SER 109 3.942 -1.103 12.321 809 HB2 SER 109 HB2 SER 109 2.149 -0.117 13.596 810 HB3 SER 109 HB3 SER 109 2.186 0.560 11.960 811 HG SER 109 HG SER 109 0.118 0.115 12.201 812 H GLN 110 H GLN 110 1.881 -3.644 11.301 813 HA GLN 110 HA GLN 110 1.606 -4.918 13.956 814 HB2 GLN 110 HB2 GLN 110 -0.100 -5.255 12.192 815 HB3 GLN 110 HB3 GLN 110 1.083 -6.031 11.179 816 HG2 GLN 110 HG2 GLN 110 -0.055 -7.808 12.073 817 HG3 GLN 110 HG3 GLN 110 1.424 -7.783 13.022 818 HE21 GLN 110 HE22 GLN 110 -1.898 -6.400 13.023 819 HE22 GLN 110 HE21 GLN 110 -2.109 -6.562 14.762 820 H ILE 111 H ILE 111 3.765 -5.179 11.109 821 HA ILE 111 HA ILE 111 5.247 -7.452 11.987 822 HB ILE 111 HB ILE 111 6.093 -5.114 10.233 823 HG12 ILE 111 HG12 ILE 111 5.285 -7.958 9.461 824 HG13 ILE 111 HG13 ILE 111 4.154 -6.616 9.484 825 HG21 ILE 111 HG21 ILE 111 7.495 -7.796 10.677 826 HG22 ILE 111 HG22 ILE 111 7.942 -6.596 9.445 827 HG23 ILE 111 HG23 ILE 111 8.121 -6.206 11.146 828 HD11 ILE 111 HD11 ILE 111 6.587 -6.825 7.676 829 HD12 ILE 111 HD12 ILE 111 4.882 -6.952 7.225 830 HD13 ILE 111 HD13 ILE 111 5.520 -5.403 7.802 831 H VAL 112 H VAL 112 6.165 -3.954 12.428 832 HA VAL 112 HA VAL 112 8.340 -4.600 14.143 833 HB VAL 112 HB VAL 112 8.437 -2.251 14.729 834 HG11 VAL 112 HG11 VAL 112 7.725 -2.589 11.787 835 HG12 VAL 112 HG12 VAL 112 8.739 -1.323 12.508 836 HG13 VAL 112 HG13 VAL 112 9.293 -3.003 12.519 837 HG21 VAL 112 HG21 VAL 112 5.801 -1.911 13.240 838 HG22 VAL 112 HG22 VAL 112 6.038 -1.703 14.992 839 HG23 VAL 112 HG23 VAL 112 6.839 -0.612 13.861 840 H LYS 113 H LYS 113 5.002 -4.537 14.895 841 HA LYS 113 HA LYS 113 5.381 -4.331 17.826 842 HB2 LYS 113 HB2 LYS 113 2.936 -4.725 16.118 843 HB3 LYS 113 HB3 LYS 113 2.934 -4.970 17.875 844 HG2 LYS 113 HG2 LYS 113 3.862 -2.688 18.221 845 HG3 LYS 113 HG3 LYS 113 3.789 -2.392 16.479 846 HD2 LYS 113 HD2 LYS 113 1.387 -3.045 18.238 847 HD3 LYS 113 HD3 LYS 113 1.888 -1.402 17.777 848 HE2 LYS 113 HE2 LYS 113 1.630 -1.935 15.417 849 HE3 LYS 113 HE3 LYS 113 1.217 -3.609 15.805 850 HZ1 LYS 113 HZ1 LYS 113 -0.372 -1.223 16.584 851 HZ2 LYS 113 HZ2 LYS 113 -0.745 -2.281 15.382 852 HZ3 LYS 113 HZ3 LYS 113 -0.761 -2.816 16.934 853 H LEU 114 H LEU 114 4.905 -6.921 15.382 854 HA LEU 114 HA LEU 114 4.621 -9.032 17.330 855 HB2 LEU 114 HB2 LEU 114 5.150 -8.759 14.372 856 HB3 LEU 114 HB3 LEU 114 5.507 -10.311 15.121 857 HG LEU 114 HG LEU 114 2.841 -8.880 15.211 858 HD11 LEU 114 HD11 LEU 114 3.807 -11.167 13.448 859 HD12 LEU 114 HD12 LEU 114 2.121 -10.594 13.554 860 HD13 LEU 114 HD13 LEU 114 3.385 -9.524 12.931 861 HD21 LEU 114 HD21 LEU 114 1.995 -11.187 15.870 862 HD22 LEU 114 HD22 LEU 114 3.691 -11.710 16.022 863 HD23 LEU 114 HD23 LEU 114 3.035 -10.455 17.087 864 H VAL 115 H VAL 115 7.385 -7.632 15.670 865 HA VAL 115 HA VAL 115 9.334 -9.461 16.827 866 HB VAL 115 HB VAL 115 9.757 -6.706 15.616 867 HG11 VAL 115 HG11 VAL 115 11.758 -8.875 16.426 868 HG12 VAL 115 HG12 VAL 115 12.151 -7.487 15.397 869 HG13 VAL 115 HG13 VAL 115 11.667 -7.218 17.074 870 HG21 VAL 115 HG21 VAL 115 10.589 -7.999 13.674 871 HG22 VAL 115 HG22 VAL 115 10.175 -9.517 14.499 872 HG23 VAL 115 HG23 VAL 115 8.900 -8.386 14.011 873 H GLU 116 H GLU 116 8.669 -5.991 17.753 874 HA GLU 116 HA GLU 116 10.070 -6.262 20.174 875 HB2 GLU 116 HB2 GLU 116 8.148 -4.248 19.072 876 HB3 GLU 116 HB3 GLU 116 8.672 -4.100 20.751 877 HG2 GLU 116 HG2 GLU 116 10.662 -4.432 18.478 878 HG3 GLU 116 HG3 GLU 116 10.001 -2.857 18.918 879 H GLU 117 H GLU 117 6.808 -7.454 19.685 880 HA GLU 117 HA GLU 117 6.194 -7.574 22.559 881 HB2 GLU 117 HB2 GLU 117 5.087 -8.883 20.054 882 HB3 GLU 117 HB3 GLU 117 4.549 -9.368 21.654 883 HG2 GLU 117 HG2 GLU 117 4.505 -6.411 21.114 884 HG3 GLU 117 HG3 GLU 117 3.392 -7.407 20.191 885 H ALA 118 H ALA 118 7.845 -9.624 20.161 886 HA ALA 118 HA ALA 118 8.122 -11.917 21.902 887 HB1 ALA 118 HB1 ALA 118 9.647 -11.118 19.383 888 HB2 ALA 118 HB2 ALA 118 9.664 -12.717 20.152 889 HB3 ALA 118 HB3 ALA 118 8.163 -12.086 19.454 890 H GLN 119 H GLN 119 10.670 -9.639 20.766 891 HA GLN 119 HA GLN 119 12.724 -10.050 22.392 892 HB2 GLN 119 HB2 GLN 119 11.492 -7.441 21.451 893 HB3 GLN 119 HB3 GLN 119 13.038 -7.519 22.284 894 HG2 GLN 119 HG2 GLN 119 12.657 -7.564 19.571 895 HG3 GLN 119 HG3 GLN 119 14.157 -7.738 20.486 896 HE21 GLN 119 HE22 GLN 119 11.463 -9.413 18.994 897 HE22 GLN 119 HE21 GLN 119 12.211 -10.991 19.093 Start of MODEL 27 1 H SER 1 H SER 1 18.896 -4.170 14.373 2 HA SER 1 HA SER 1 16.153 -3.163 15.006 3 HB2 SER 1 HB2 SER 1 18.961 -2.061 15.525 4 HB3 SER 1 HB3 SER 1 17.461 -1.244 15.978 5 HG SER 1 HG SER 1 16.970 -2.821 17.379 6 H GLU 2 H GLU 2 18.923 -2.612 12.836 7 HA GLU 2 HA GLU 2 17.950 -0.266 11.497 8 HB2 GLU 2 HB2 GLU 2 19.777 -2.551 10.666 9 HB3 GLU 2 HB3 GLU 2 19.505 -1.123 9.659 10 HG2 GLU 2 HG2 GLU 2 20.479 0.350 11.249 11 HG3 GLU 2 HG3 GLU 2 20.476 -0.865 12.523 12 H ALA 3 H ALA 3 17.337 -3.786 10.926 13 HA ALA 3 HA ALA 3 15.991 -3.363 8.391 14 HB1 ALA 3 HB1 ALA 3 17.140 -5.466 8.963 15 HB2 ALA 3 HB2 ALA 3 16.076 -5.690 10.372 16 HB3 ALA 3 HB3 ALA 3 15.408 -5.763 8.729 17 H LEU 4 H LEU 4 15.101 -3.320 11.796 18 HA LEU 4 HA LEU 4 12.198 -3.498 11.446 19 HB2 LEU 4 HB2 LEU 4 13.312 -4.297 13.491 20 HB3 LEU 4 HB3 LEU 4 14.055 -2.728 13.732 21 HG LEU 4 HG LEU 4 11.827 -1.699 14.159 22 HD11 LEU 4 HD11 LEU 4 10.954 -4.603 14.087 23 HD12 LEU 4 HD12 LEU 4 9.979 -3.242 14.716 24 HD13 LEU 4 HD13 LEU 4 10.416 -3.310 12.990 25 HD21 LEU 4 HD21 LEU 4 13.221 -2.397 15.991 26 HD22 LEU 4 HD22 LEU 4 11.535 -2.757 16.376 27 HD23 LEU 4 HD23 LEU 4 12.631 -4.072 15.883 28 H ALA 5 H ALA 5 14.595 -0.971 11.149 29 HA ALA 5 HA ALA 5 12.747 1.221 11.850 30 HB1 ALA 5 HB1 ALA 5 14.776 2.617 11.411 31 HB2 ALA 5 HB2 ALA 5 15.036 1.418 12.692 32 HB3 ALA 5 HB3 ALA 5 15.698 1.145 11.069 33 H LYS 6 H LYS 6 14.287 -0.428 9.058 34 HA LYS 6 HA LYS 6 13.639 1.546 7.114 35 HB2 LYS 6 HB2 LYS 6 15.325 -0.338 6.971 36 HB3 LYS 6 HB3 LYS 6 13.987 -1.444 6.633 37 HG2 LYS 6 HG2 LYS 6 13.442 -0.205 4.579 38 HG3 LYS 6 HG3 LYS 6 14.614 1.061 4.994 39 HD2 LYS 6 HD2 LYS 6 16.457 -0.616 4.847 40 HD3 LYS 6 HD3 LYS 6 15.277 -1.847 4.354 41 HE2 LYS 6 HE2 LYS 6 14.716 -0.554 2.343 42 HE3 LYS 6 HE3 LYS 6 15.763 0.776 2.864 43 HZ1 LYS 6 HZ1 LYS 6 17.674 -0.694 2.635 44 HZ2 LYS 6 HZ2 LYS 6 16.736 -1.967 2.253 45 HZ3 LYS 6 HZ3 LYS 6 16.839 -0.680 1.222 46 H LEU 7 H LEU 7 11.650 -1.027 8.437 47 HA LEU 7 HA LEU 7 9.479 -0.886 6.562 48 HB2 LEU 7 HB2 LEU 7 9.784 -1.764 9.436 49 HB3 LEU 7 HB3 LEU 7 8.167 -1.554 8.797 50 HG LEU 7 HG LEU 7 8.893 -3.874 8.729 51 HD11 LEU 7 HD11 LEU 7 8.185 -4.404 6.475 52 HD12 LEU 7 HD12 LEU 7 7.237 -3.049 7.112 53 HD13 LEU 7 HD13 LEU 7 8.531 -2.758 5.923 54 HD21 LEU 7 HD21 LEU 7 11.278 -3.608 8.289 55 HD22 LEU 7 HD22 LEU 7 10.529 -4.693 7.117 56 HD23 LEU 7 HD23 LEU 7 10.939 -3.036 6.634 57 H ILE 8 H ILE 8 10.322 1.351 9.183 58 HA ILE 8 HA ILE 8 7.826 2.877 8.927 59 HB ILE 8 HB ILE 8 10.445 3.525 10.283 60 HG12 ILE 8 HG12 ILE 8 9.259 1.681 11.356 61 HG13 ILE 8 HG13 ILE 8 9.255 3.116 12.367 62 HG21 ILE 8 HG21 ILE 8 7.844 5.099 10.283 63 HG22 ILE 8 HG22 ILE 8 9.185 5.354 11.420 64 HG23 ILE 8 HG23 ILE 8 9.430 5.631 9.698 65 HD11 ILE 8 HD11 ILE 8 6.902 2.042 10.738 66 HD12 ILE 8 HD12 ILE 8 7.099 2.017 12.499 67 HD13 ILE 8 HD13 ILE 8 6.872 3.558 11.673 68 H SER 9 H SER 9 11.062 2.936 7.465 69 HA SER 9 HA SER 9 10.760 5.511 6.157 70 HB2 SER 9 HB2 SER 9 12.636 3.220 5.453 71 HB3 SER 9 HB3 SER 9 12.783 4.917 4.985 72 HG SER 9 HG SER 9 14.114 4.586 6.686 73 H LEU 10 H LEU 10 10.064 2.172 5.282 74 HA LEU 10 HA LEU 10 9.793 2.294 2.503 75 HB2 LEU 10 HB2 LEU 10 9.580 0.394 4.488 76 HB3 LEU 10 HB3 LEU 10 7.890 0.611 4.103 77 HG LEU 10 HG LEU 10 8.604 0.204 1.625 78 HD11 LEU 10 HD11 LEU 10 11.049 -0.902 3.094 79 HD12 LEU 10 HD12 LEU 10 10.689 -1.105 1.367 80 HD13 LEU 10 HD13 LEU 10 11.070 0.499 2.018 81 HD21 LEU 10 HD21 LEU 10 7.408 -1.459 3.034 82 HD22 LEU 10 HD22 LEU 10 8.596 -2.236 1.974 83 HD23 LEU 10 HD23 LEU 10 8.952 -1.999 3.703 84 H GLN 11 H GLN 11 7.666 3.571 4.880 85 HA GLN 11 HA GLN 11 5.191 3.250 3.470 86 HB2 GLN 11 HB2 GLN 11 6.032 4.546 6.033 87 HB3 GLN 11 HB3 GLN 11 4.377 4.706 5.447 88 HG2 GLN 11 HG2 GLN 11 4.129 2.274 5.248 89 HG3 GLN 11 HG3 GLN 11 5.794 2.030 5.810 90 HE21 GLN 11 HE22 GLN 11 6.089 1.795 7.995 91 HE22 GLN 11 HE21 GLN 11 4.895 2.429 9.156 92 H ALA 12 H ALA 12 3.656 4.891 2.916 93 HA ALA 12 HA ALA 12 4.977 6.800 1.082 94 HB1 ALA 12 HB1 ALA 12 2.151 5.688 1.129 95 HB2 ALA 12 HB2 ALA 12 2.906 6.613 -0.184 96 HB3 ALA 12 HB3 ALA 12 3.512 4.995 0.216 97 H THR 13 H THR 13 2.598 6.861 3.713 98 HA THR 13 HA THR 13 1.967 8.510 5.113 99 HB THR 13 HB THR 13 3.911 10.437 3.851 100 HG1 THR 13 HG1 THR 13 5.386 9.149 4.394 101 HG21 THR 13 HG21 THR 13 2.544 11.437 5.610 102 HG22 THR 13 HG22 THR 13 2.879 10.065 6.696 103 HG23 THR 13 HG23 THR 13 4.182 11.173 6.219 104 H GLU 14 H GLU 14 1.887 9.521 1.693 105 HA GLU 14 HA GLU 14 -0.648 10.957 2.221 106 HB2 GLU 14 HB2 GLU 14 0.026 12.824 0.857 107 HB3 GLU 14 HB3 GLU 14 1.133 12.608 2.209 108 HG2 GLU 14 HG2 GLU 14 2.612 11.296 0.464 109 HG3 GLU 14 HG3 GLU 14 1.603 12.100 -0.739 110 H ALA 15 H ALA 15 -2.127 11.047 0.446 111 HA ALA 15 HA ALA 15 -1.665 9.098 -1.728 112 HB1 ALA 15 HB1 ALA 15 -3.768 8.742 0.453 113 HB2 ALA 15 HB2 ALA 15 -3.593 7.731 -0.996 114 HB3 ALA 15 HB3 ALA 15 -2.314 7.739 0.231 115 H THR 16 H THR 16 -3.313 9.011 -3.292 116 HA THR 16 HA THR 16 -5.163 11.385 -3.378 117 HB THR 16 HB THR 16 -4.005 9.859 -5.711 118 HG1 THR 16 HG1 THR 16 -2.500 11.141 -4.775 119 HG21 THR 16 HG21 THR 16 -6.193 10.769 -6.328 120 HG22 THR 16 HG22 THR 16 -5.797 12.331 -5.577 121 HG23 THR 16 HG23 THR 16 -4.922 11.783 -7.026 122 H ILE 17 H ILE 17 -7.151 11.028 -2.970 123 HA ILE 17 HA ILE 17 -8.459 8.388 -3.097 124 HB ILE 17 HB ILE 17 -9.421 11.168 -2.264 125 HG12 ILE 17 HG12 ILE 17 -8.560 8.839 -0.522 126 HG13 ILE 17 HG13 ILE 17 -7.682 10.345 -0.754 127 HG21 ILE 17 HG21 ILE 17 -10.805 8.468 -2.028 128 HG22 ILE 17 HG22 ILE 17 -11.358 9.960 -1.227 129 HG23 ILE 17 HG23 ILE 17 -11.346 9.881 -2.961 130 HD11 ILE 17 HD11 ILE 17 -9.665 11.560 0.257 131 HD12 ILE 17 HD12 ILE 17 -10.317 9.955 0.697 132 HD13 ILE 17 HD13 ILE 17 -8.777 10.479 1.345 133 H VAL 18 H VAL 18 -10.101 7.873 -4.546 134 HA VAL 18 HA VAL 18 -10.906 9.995 -6.532 135 HB VAL 18 HB VAL 18 -11.090 7.016 -6.967 136 HG11 VAL 18 HG11 VAL 18 -11.667 9.383 -8.788 137 HG12 VAL 18 HG12 VAL 18 -11.651 7.677 -9.285 138 HG13 VAL 18 HG13 VAL 18 -12.861 8.247 -8.132 139 HG21 VAL 18 HG21 VAL 18 -9.349 7.440 -8.722 140 HG22 VAL 18 HG22 VAL 18 -9.104 9.048 -8.006 141 HG23 VAL 18 HG23 VAL 18 -8.769 7.592 -7.058 142 H THR 19 H THR 19 -12.746 10.904 -6.088 143 HA THR 19 HA THR 19 -14.779 9.560 -4.342 144 HB THR 19 HB THR 19 -14.016 12.470 -4.690 145 HG1 THR 19 HG1 THR 19 -13.374 12.319 -2.673 146 HG21 THR 19 HG21 THR 19 -16.364 11.198 -3.238 147 HG22 THR 19 HG22 THR 19 -15.784 12.850 -2.920 148 HG23 THR 19 HG23 THR 19 -16.432 12.444 -4.508 149 H LEU 20 H LEU 20 -16.902 9.436 -5.007 150 HA LEU 20 HA LEU 20 -17.458 10.058 -7.846 151 HB2 LEU 20 HB2 LEU 20 -19.259 8.733 -5.789 152 HB3 LEU 20 HB3 LEU 20 -19.525 8.843 -7.515 153 HG LEU 20 HG LEU 20 -17.196 7.325 -6.242 154 HD11 LEU 20 HD11 LEU 20 -19.823 6.272 -7.356 155 HD12 LEU 20 HD12 LEU 20 -18.439 5.294 -6.825 156 HD13 LEU 20 HD13 LEU 20 -19.320 6.283 -5.655 157 HD21 LEU 20 HD21 LEU 20 -18.247 7.381 -9.107 158 HD22 LEU 20 HD22 LEU 20 -16.691 8.025 -8.539 159 HD23 LEU 20 HD23 LEU 20 -16.994 6.285 -8.485 160 H ASP 21 H ASP 21 -17.575 12.249 -7.985 161 HA ASP 21 HA ASP 21 -18.838 13.856 -5.930 162 HB2 ASP 21 HB2 ASP 21 -17.003 14.323 -8.057 163 HB3 ASP 21 HB3 ASP 21 -18.382 15.370 -8.357 164 H SER 22 H SER 22 -20.122 12.201 -8.434 165 HA SER 22 HA SER 22 -22.776 13.030 -7.816 166 HB2 SER 22 HB2 SER 22 -22.158 13.386 -10.756 167 HB3 SER 22 HB3 SER 22 -23.741 13.416 -10.008 168 HG SER 22 HG SER 22 -22.763 15.468 -10.453 169 H ASP 23 H ASP 23 -24.203 11.550 -8.183 170 HA ASP 23 HA ASP 23 -24.301 9.179 -7.584 171 HB2 ASP 23 HB2 ASP 23 -26.226 10.479 -8.373 172 HB3 ASP 23 HB3 ASP 23 -25.892 9.998 -10.034 173 H ASN 24 H ASN 24 -22.045 8.490 -8.302 174 HA ASN 24 HA ASN 24 -20.594 7.043 -9.251 175 HB2 ASN 24 HB2 ASN 24 -22.623 5.444 -8.906 176 HB3 ASN 24 HB3 ASN 24 -22.788 5.526 -10.667 177 HD21 ASN 24 HD22 ASN 24 -19.798 5.524 -11.030 178 HD22 ASN 24 HD21 ASN 24 -19.432 3.838 -10.675 179 H ILE 25 H ILE 25 -22.693 8.860 -11.299 180 HA ILE 25 HA ILE 25 -21.502 8.439 -13.809 181 HB ILE 25 HB ILE 25 -22.798 10.634 -14.232 182 HG12 ILE 25 HG12 ILE 25 -23.906 10.240 -11.472 183 HG13 ILE 25 HG13 ILE 25 -22.740 11.487 -11.926 184 HG21 ILE 25 HG21 ILE 25 -24.264 8.228 -13.048 185 HG22 ILE 25 HG22 ILE 25 -24.921 9.375 -14.237 186 HG23 ILE 25 HG23 ILE 25 -23.594 8.301 -14.684 187 HD11 ILE 25 HD11 ILE 25 -24.970 12.424 -11.908 188 HD12 ILE 25 HD12 ILE 25 -24.372 12.387 -13.579 189 HD13 ILE 25 HD13 ILE 25 -25.563 11.185 -13.021 190 H LEU 26 H LEU 26 -20.455 10.538 -11.198 191 HA LEU 26 HA LEU 26 -18.592 11.963 -13.060 192 HB2 LEU 26 HB2 LEU 26 -20.450 13.384 -12.352 193 HB3 LEU 26 HB3 LEU 26 -20.085 12.986 -10.674 194 HG LEU 26 HG LEU 26 -17.898 14.142 -10.841 195 HD11 LEU 26 HD11 LEU 26 -18.967 14.910 -13.579 196 HD12 LEU 26 HD12 LEU 26 -17.552 15.648 -12.788 197 HD13 LEU 26 HD13 LEU 26 -17.506 13.941 -13.257 198 HD21 LEU 26 HD21 LEU 26 -19.927 15.331 -10.040 199 HD22 LEU 26 HD22 LEU 26 -18.791 16.410 -10.861 200 HD23 LEU 26 HD23 LEU 26 -20.262 15.861 -11.698 201 H LEU 27 H LEU 27 -16.608 11.876 -12.609 202 HA LEU 27 HA LEU 27 -15.614 10.888 -9.940 203 HB2 LEU 27 HB2 LEU 27 -14.583 10.408 -12.732 204 HB3 LEU 27 HB3 LEU 27 -13.468 10.421 -11.374 205 HG LEU 27 HG LEU 27 -14.767 8.657 -10.226 206 HD11 LEU 27 HD11 LEU 27 -16.390 8.569 -12.806 207 HD12 LEU 27 HD12 LEU 27 -16.359 7.272 -11.589 208 HD13 LEU 27 HD13 LEU 27 -17.001 8.849 -11.159 209 HD21 LEU 27 HD21 LEU 27 -12.819 8.131 -11.633 210 HD22 LEU 27 HD22 LEU 27 -14.021 6.834 -11.703 211 HD23 LEU 27 HD23 LEU 27 -13.871 7.980 -13.055 212 H SER 28 H SER 28 -14.304 12.007 -8.735 213 HA SER 28 HA SER 28 -12.556 14.094 -9.910 214 HB2 SER 28 HB2 SER 28 -14.553 15.290 -9.018 215 HB3 SER 28 HB3 SER 28 -14.255 14.553 -7.431 216 HG SER 28 HG SER 28 -13.136 16.387 -7.270 217 H GLU 29 H GLU 29 -10.521 13.893 -9.184 218 HA GLU 29 HA GLU 29 -10.007 12.033 -6.952 219 HB2 GLU 29 HB2 GLU 29 -7.923 13.044 -8.889 220 HB3 GLU 29 HB3 GLU 29 -7.902 11.642 -7.826 221 HG2 GLU 29 HG2 GLU 29 -8.325 10.569 -9.763 222 HG3 GLU 29 HG3 GLU 29 -9.975 10.832 -9.259 223 H GLU 30 H GLU 30 -8.935 12.559 -5.097 224 HA GLU 30 HA GLU 30 -8.464 15.460 -4.518 225 HB2 GLU 30 HB2 GLU 30 -9.785 13.621 -2.513 226 HB3 GLU 30 HB3 GLU 30 -9.863 15.369 -2.653 227 HG2 GLU 30 HG2 GLU 30 -11.217 14.917 -4.844 228 HG3 GLU 30 HG3 GLU 30 -11.331 13.250 -4.268 229 H GLN 31 H GLN 31 -6.591 15.921 -3.174 230 HA GLN 31 HA GLN 31 -4.978 13.511 -2.507 231 HB2 GLN 31 HB2 GLN 31 -3.941 16.332 -2.839 232 HB3 GLN 31 HB3 GLN 31 -3.028 14.813 -2.784 233 HG2 GLN 31 HG2 GLN 31 -4.327 14.149 -4.901 234 HG3 GLN 31 HG3 GLN 31 -4.683 15.889 -5.079 235 HE21 GLN 31 HE22 GLN 31 -2.517 13.345 -5.302 236 HE22 GLN 31 HE21 GLN 31 -1.168 14.233 -4.778 237 H VAL 32 H VAL 32 -4.397 13.003 -0.503 238 HA VAL 32 HA VAL 32 -4.771 14.910 1.773 239 HB VAL 32 HB VAL 32 -6.107 13.350 3.000 240 HG11 VAL 32 HG11 VAL 32 -7.332 14.811 1.386 241 HG12 VAL 32 HG12 VAL 32 -7.379 13.445 0.240 242 HG13 VAL 32 HG13 VAL 32 -8.182 13.313 1.810 243 HG21 VAL 32 HG21 VAL 32 -5.140 11.208 2.128 244 HG22 VAL 32 HG22 VAL 32 -6.894 11.241 2.173 245 HG23 VAL 32 HG23 VAL 32 -6.039 11.452 0.619 246 H ASP 33 H ASP 33 -4.271 13.611 3.899 247 HA ASP 33 HA ASP 33 -1.640 12.193 3.669 248 HB2 ASP 33 HB2 ASP 33 -3.053 13.477 6.012 249 HB3 ASP 33 HB3 ASP 33 -1.748 12.323 6.224 250 H VAL 34 H VAL 34 -1.389 10.112 4.340 251 HA VAL 34 HA VAL 34 -3.574 8.334 4.068 252 HB VAL 34 HB VAL 34 -1.143 7.831 3.667 253 HG11 VAL 34 HG11 VAL 34 -1.117 7.041 6.613 254 HG12 VAL 34 HG12 VAL 34 0.172 6.798 5.420 255 HG13 VAL 34 HG13 VAL 34 -0.269 8.434 5.921 256 HG21 VAL 34 HG21 VAL 34 -1.377 5.446 4.070 257 HG22 VAL 34 HG22 VAL 34 -2.717 5.720 5.188 258 HG23 VAL 34 HG23 VAL 34 -2.903 6.127 3.468 259 H GLU 35 H GLU 35 -2.536 9.827 7.061 260 HA GLU 35 HA GLU 35 -4.074 8.180 8.864 261 HB2 GLU 35 HB2 GLU 35 -2.354 9.759 9.598 262 HB3 GLU 35 HB3 GLU 35 -3.269 11.125 8.947 263 HG2 GLU 35 HG2 GLU 35 -5.028 10.806 10.585 264 HG3 GLU 35 HG3 GLU 35 -4.311 9.277 11.126 265 H LEU 36 H LEU 36 -5.054 10.541 6.451 266 HA LEU 36 HA LEU 36 -7.684 11.007 7.716 267 HB2 LEU 36 HB2 LEU 36 -6.374 12.459 5.398 268 HB3 LEU 36 HB3 LEU 36 -7.739 12.995 6.364 269 HG LEU 36 HG LEU 36 -4.852 12.753 7.326 270 HD11 LEU 36 HD11 LEU 36 -6.588 15.198 6.804 271 HD12 LEU 36 HD12 LEU 36 -4.909 15.188 7.382 272 HD13 LEU 36 HD13 LEU 36 -5.282 14.624 5.746 273 HD21 LEU 36 HD21 LEU 36 -6.433 12.359 9.193 274 HD22 LEU 36 HD22 LEU 36 -5.619 13.921 9.346 275 HD23 LEU 36 HD23 LEU 36 -7.295 13.852 8.762 276 H VAL 37 H VAL 37 -6.422 9.121 5.094 277 HA VAL 37 HA VAL 37 -8.502 9.447 3.211 278 HB VAL 37 HB VAL 37 -7.962 7.267 2.283 279 HG11 VAL 37 HG11 VAL 37 -5.528 8.880 3.072 280 HG12 VAL 37 HG12 VAL 37 -5.537 7.583 1.857 281 HG13 VAL 37 HG13 VAL 37 -6.528 9.014 1.605 282 HG21 VAL 37 HG21 VAL 37 -6.225 6.821 4.732 283 HG22 VAL 37 HG22 VAL 37 -7.632 5.858 4.222 284 HG23 VAL 37 HG23 VAL 37 -6.167 5.848 3.251 285 H GLN 38 H GLN 38 -8.491 7.429 6.105 286 HA GLN 38 HA GLN 38 -9.816 6.150 7.144 287 HB2 GLN 38 HB2 GLN 38 -11.921 8.041 6.104 288 HB3 GLN 38 HB3 GLN 38 -12.183 6.838 7.376 289 HG2 GLN 38 HG2 GLN 38 -10.485 7.840 8.799 290 HG3 GLN 38 HG3 GLN 38 -9.915 8.906 7.513 291 HE21 GLN 38 HE22 GLN 38 -12.998 8.179 9.172 292 HE22 GLN 38 HE21 GLN 38 -13.487 9.863 9.002 293 H ARG 39 H ARG 39 -11.163 4.423 7.290 294 HA ARG 39 HA ARG 39 -10.607 2.610 5.170 295 HB2 ARG 39 HB2 ARG 39 -11.295 0.899 6.734 296 HB3 ARG 39 HB3 ARG 39 -10.312 2.129 7.524 297 HG2 ARG 39 HG2 ARG 39 -12.748 3.139 8.111 298 HG3 ARG 39 HG3 ARG 39 -13.225 1.456 7.842 299 HD2 ARG 39 HD2 ARG 39 -11.701 0.688 9.580 300 HD3 ARG 39 HD3 ARG 39 -10.984 2.319 9.701 301 HE ARG 39 HE ARG 39 -13.721 2.654 10.173 302 HH11 ARG 39 HH11 ARG 39 -11.225 0.861 11.956 303 HH12 ARG 39 HH12 ARG 39 -11.946 1.334 13.475 304 HH21 ARG 39 HH21 ARG 39 -14.403 3.266 12.030 305 HH22 ARG 39 HH22 ARG 39 -13.643 2.733 13.522 306 H GLY 40 H GLY 40 -12.327 4.288 4.011 307 HA2 GLY 40 HA2 GLY 40 -14.233 2.402 2.817 308 HA3 GLY 40 HA3 GLY 40 -14.997 3.777 3.610 309 H ASP 41 H ASP 41 -11.934 4.527 2.120 310 HA ASP 41 HA ASP 41 -13.274 5.360 -0.426 311 HB2 ASP 41 HB2 ASP 41 -11.209 6.669 1.299 312 HB3 ASP 41 HB3 ASP 41 -10.972 6.791 -0.431 313 H ILE 42 H ILE 42 -11.693 5.615 -2.253 314 HA ILE 42 HA ILE 42 -10.031 3.169 -2.547 315 HB ILE 42 HB ILE 42 -11.984 4.271 -4.600 316 HG12 ILE 42 HG12 ILE 42 -12.003 1.780 -2.843 317 HG13 ILE 42 HG13 ILE 42 -13.194 3.074 -2.885 318 HG21 ILE 42 HG21 ILE 42 -10.138 1.848 -4.776 319 HG22 ILE 42 HG22 ILE 42 -11.251 2.437 -6.030 320 HG23 ILE 42 HG23 ILE 42 -9.852 3.405 -5.589 321 HD11 ILE 42 HD11 ILE 42 -12.739 0.966 -5.023 322 HD12 ILE 42 HD12 ILE 42 -14.111 1.123 -3.928 323 HD13 ILE 42 HD13 ILE 42 -13.855 2.352 -5.187 324 H ILE 43 H ILE 43 -8.017 3.554 -3.251 325 HA ILE 43 HA ILE 43 -7.254 6.326 -3.911 326 HB ILE 43 HB ILE 43 -5.681 3.958 -2.817 327 HG12 ILE 43 HG12 ILE 43 -7.312 4.431 -1.132 328 HG13 ILE 43 HG13 ILE 43 -5.747 5.001 -0.595 329 HG21 ILE 43 HG21 ILE 43 -4.922 6.898 -2.887 330 HG22 ILE 43 HG22 ILE 43 -4.000 5.600 -2.111 331 HG23 ILE 43 HG23 ILE 43 -4.206 5.603 -3.858 332 HD11 ILE 43 HD11 ILE 43 -7.493 6.576 0.023 333 HD12 ILE 43 HD12 ILE 43 -6.422 7.348 -1.162 334 HD13 ILE 43 HD13 ILE 43 -8.020 6.729 -1.654 335 H LYS 44 H LYS 44 -6.364 6.792 -5.918 336 HA LYS 44 HA LYS 44 -5.533 4.626 -7.723 337 HB2 LYS 44 HB2 LYS 44 -6.737 6.546 -8.581 338 HB3 LYS 44 HB3 LYS 44 -5.351 7.590 -8.187 339 HG2 LYS 44 HG2 LYS 44 -3.890 6.261 -9.647 340 HG3 LYS 44 HG3 LYS 44 -5.175 5.089 -9.960 341 HD2 LYS 44 HD2 LYS 44 -5.397 8.015 -10.690 342 HD3 LYS 44 HD3 LYS 44 -4.650 6.800 -11.745 343 HE2 LYS 44 HE2 LYS 44 -6.775 5.481 -11.697 344 HE3 LYS 44 HE3 LYS 44 -7.533 6.798 -10.779 345 HZ1 LYS 44 HZ1 LYS 44 -6.472 6.950 -13.549 346 HZ2 LYS 44 HZ2 LYS 44 -8.040 7.079 -13.055 347 HZ3 LYS 44 HZ3 LYS 44 -6.978 8.266 -12.678 348 H VAL 45 H VAL 45 -3.607 3.698 -7.830 349 HA VAL 45 HA VAL 45 -1.198 5.116 -6.821 350 HB VAL 45 HB VAL 45 -1.878 2.798 -5.993 351 HG11 VAL 45 HG11 VAL 45 -0.586 1.863 -8.593 352 HG12 VAL 45 HG12 VAL 45 -1.127 0.862 -7.246 353 HG13 VAL 45 HG13 VAL 45 -2.319 1.753 -8.214 354 HG21 VAL 45 HG21 VAL 45 0.320 3.787 -5.532 355 HG22 VAL 45 HG22 VAL 45 0.468 2.049 -5.827 356 HG23 VAL 45 HG23 VAL 45 0.940 3.204 -7.092 357 H VAL 46 H VAL 46 0.377 5.825 -8.162 358 HA VAL 46 HA VAL 46 -0.086 5.573 -11.064 359 HB VAL 46 HB VAL 46 1.442 7.413 -11.325 360 HG11 VAL 46 HG11 VAL 46 -0.913 7.869 -10.753 361 HG12 VAL 46 HG12 VAL 46 -0.453 7.977 -9.038 362 HG13 VAL 46 HG13 VAL 46 0.198 9.136 -10.209 363 HG21 VAL 46 HG21 VAL 46 2.530 8.562 -9.520 364 HG22 VAL 46 HG22 VAL 46 1.882 7.425 -8.332 365 HG23 VAL 46 HG23 VAL 46 3.085 6.885 -9.519 366 HA PRO 47 HA PRO 47 3.462 3.031 -12.147 367 HB2 PRO 47 HB2 PRO 47 4.428 5.274 -13.915 368 HB3 PRO 47 HB3 PRO 47 4.225 3.540 -14.307 369 HG2 PRO 47 HG2 PRO 47 2.401 5.335 -15.176 370 HG3 PRO 47 HG3 PRO 47 1.827 3.793 -14.448 371 HD2 PRO 47 HD2 PRO 47 2.103 6.488 -13.129 372 HD3 PRO 47 HD3 PRO 47 0.695 5.383 -13.126 373 H GLY 48 H GLY 48 5.421 2.734 -11.079 374 HA2 GLY 48 HA2 GLY 48 7.281 3.179 -9.822 375 HA3 GLY 48 HA3 GLY 48 7.181 4.882 -10.261 376 H GLY 49 H GLY 49 4.167 4.308 -9.026 377 HA2 GLY 49 HA2 GLY 49 4.737 5.649 -6.524 378 HA3 GLY 49 HA3 GLY 49 3.165 5.105 -7.110 379 H LYS 50 H LYS 50 3.917 4.952 -4.423 380 HA LYS 50 HA LYS 50 4.248 2.016 -3.934 381 HB2 LYS 50 HB2 LYS 50 4.466 4.297 -1.940 382 HB3 LYS 50 HB3 LYS 50 4.755 2.575 -1.632 383 HG2 LYS 50 HG2 LYS 50 6.608 2.656 -3.341 384 HG3 LYS 50 HG3 LYS 50 6.371 4.406 -3.436 385 HD2 LYS 50 HD2 LYS 50 6.783 4.514 -0.926 386 HD3 LYS 50 HD3 LYS 50 7.253 2.798 -0.998 387 HE2 LYS 50 HE2 LYS 50 8.964 3.375 -2.730 388 HE3 LYS 50 HE3 LYS 50 8.493 5.074 -2.615 389 HZ1 LYS 50 HZ1 LYS 50 10.407 4.704 -1.294 390 HZ2 LYS 50 HZ2 LYS 50 9.171 4.976 -0.238 391 HZ3 LYS 50 HZ3 LYS 50 9.762 3.445 -0.487 392 H PHE 51 H PHE 51 2.814 0.872 -2.754 393 HA PHE 51 HA PHE 51 0.066 1.832 -2.581 394 HB2 PHE 51 HB2 PHE 51 1.372 -0.683 -1.518 395 HB3 PHE 51 HB3 PHE 51 -0.351 -0.341 -1.437 396 HD1 PHE 51 HD2 PHE 51 -1.752 -0.351 -3.496 397 HD2 PHE 51 HD1 PHE 51 2.443 -1.266 -3.646 398 HE1 PHE 51 HE2 PHE 51 -2.020 -1.294 -5.788 399 HE2 PHE 51 HE1 PHE 51 2.199 -2.103 -5.949 400 HZ PHE 51 HZ PHE 51 -0.035 -2.132 -7.032 401 HA PRO 52 HA PRO 52 1.006 3.672 1.389 402 HB2 PRO 52 HB2 PRO 52 -1.154 5.237 1.747 403 HB3 PRO 52 HB3 PRO 52 -0.082 5.451 0.333 404 HG2 PRO 52 HG2 PRO 52 -2.706 3.928 0.456 405 HG3 PRO 52 HG3 PRO 52 -2.193 5.172 -0.731 406 HD2 PRO 52 HD2 PRO 52 -1.924 2.461 -1.185 407 HD3 PRO 52 HD3 PRO 52 -0.802 3.687 -1.849 408 H VAL 53 H VAL 53 -1.561 1.368 1.182 409 HA VAL 53 HA VAL 53 -1.664 0.914 4.069 410 HB VAL 53 HB VAL 53 -4.095 0.832 4.196 411 HG11 VAL 53 HG11 VAL 53 -3.212 3.593 3.301 412 HG12 VAL 53 HG12 VAL 53 -4.562 3.184 4.375 413 HG13 VAL 53 HG13 VAL 53 -2.896 2.891 4.903 414 HG21 VAL 53 HG21 VAL 53 -4.103 2.132 1.442 415 HG22 VAL 53 HG22 VAL 53 -4.662 0.487 1.827 416 HG23 VAL 53 HG23 VAL 53 -5.512 1.887 2.498 417 H ASP 54 H ASP 54 -3.251 -1.154 4.375 418 HA ASP 54 HA ASP 54 -2.684 -3.016 2.127 419 HB2 ASP 54 HB2 ASP 54 -2.833 -4.869 3.487 420 HB3 ASP 54 HB3 ASP 54 -1.712 -3.746 4.233 421 H GLY 55 H GLY 55 -4.240 -4.068 1.019 422 HA2 GLY 55 HA2 GLY 55 -7.051 -4.007 1.533 423 HA3 GLY 55 HA3 GLY 55 -6.597 -2.541 0.669 424 H ARG 56 H ARG 56 -8.254 -3.713 -0.666 425 HA ARG 56 HA ARG 56 -7.008 -5.671 -2.542 426 HB2 ARG 56 HB2 ARG 56 -9.140 -6.153 -1.161 427 HB3 ARG 56 HB3 ARG 56 -9.986 -5.184 -2.373 428 HG2 ARG 56 HG2 ARG 56 -9.188 -6.681 -4.163 429 HG3 ARG 56 HG3 ARG 56 -8.171 -7.562 -3.017 430 HD2 ARG 56 HD2 ARG 56 -11.202 -7.504 -2.965 431 HD3 ARG 56 HD3 ARG 56 -10.160 -8.806 -3.584 432 HE ARG 56 HE ARG 56 -9.602 -8.102 -0.795 433 HH11 ARG 56 HH11 ARG 56 -11.510 -10.256 -2.818 434 HH12 ARG 56 HH12 ARG 56 -11.803 -11.340 -1.491 435 HH21 ARG 56 HH21 ARG 56 -10.012 -9.439 0.768 436 HH22 ARG 56 HH22 ARG 56 -11.141 -10.784 0.570 437 H VAL 57 H VAL 57 -6.889 -5.476 -4.654 438 HA VAL 57 HA VAL 57 -7.291 -2.825 -5.934 439 HB VAL 57 HB VAL 57 -5.893 -5.274 -7.092 440 HG11 VAL 57 HG11 VAL 57 -5.705 -2.298 -7.741 441 HG12 VAL 57 HG12 VAL 57 -4.814 -3.609 -8.547 442 HG13 VAL 57 HG13 VAL 57 -6.563 -3.521 -8.704 443 HG21 VAL 57 HG21 VAL 57 -4.599 -3.063 -5.466 444 HG22 VAL 57 HG22 VAL 57 -4.626 -4.795 -5.103 445 HG23 VAL 57 HG23 VAL 57 -3.728 -4.211 -6.503 446 H ILE 58 H ILE 58 -9.053 -2.622 -7.270 447 HA ILE 58 HA ILE 58 -10.104 -5.035 -8.685 448 HB ILE 58 HB ILE 58 -12.467 -4.337 -8.145 449 HG12 ILE 58 HG12 ILE 58 -11.221 -2.914 -5.775 450 HG13 ILE 58 HG13 ILE 58 -11.635 -2.030 -7.252 451 HG21 ILE 58 HG21 ILE 58 -10.874 -5.313 -5.749 452 HG22 ILE 58 HG22 ILE 58 -12.604 -5.546 -6.065 453 HG23 ILE 58 HG23 ILE 58 -11.418 -6.314 -7.116 454 HD11 ILE 58 HD11 ILE 58 -13.460 -1.748 -5.745 455 HD12 ILE 58 HD12 ILE 58 -13.998 -2.811 -7.052 456 HD13 ILE 58 HD13 ILE 58 -13.596 -3.498 -5.458 457 H GLU 59 H GLU 59 -8.544 -2.704 -9.504 458 HA GLU 59 HA GLU 59 -9.828 -2.455 -12.043 459 HB2 GLU 59 HB2 GLU 59 -10.436 -0.317 -10.193 460 HB3 GLU 59 HB3 GLU 59 -9.256 0.304 -11.308 461 HG2 GLU 59 HG2 GLU 59 -10.700 -0.673 -13.207 462 HG3 GLU 59 HG3 GLU 59 -11.949 -0.931 -11.991 463 H GLY 60 H GLY 60 -8.201 -2.539 -13.461 464 HA2 GLY 60 HA2 GLY 60 -6.208 -1.966 -14.489 465 HA3 GLY 60 HA3 GLY 60 -5.651 -1.136 -13.041 466 H HIS 61 H HIS 61 -3.940 -2.613 -14.406 467 HA HIS 61 HA HIS 61 -3.259 -4.801 -12.536 468 HB2 HIS 61 HB2 HIS 61 -2.793 -6.443 -14.251 469 HB3 HIS 61 HB3 HIS 61 -4.483 -5.962 -14.296 470 HD1 HIS 61 HD1 HIS 61 -5.278 -4.585 -16.493 471 HD2 HIS 61 HD2 HIS 61 -1.270 -5.866 -16.388 472 HE1 HIS 61 HE1 HIS 61 -4.329 -4.194 -18.841 473 H SER 62 H SER 62 -1.202 -4.890 -12.006 474 HA SER 62 HA SER 62 0.896 -3.938 -13.780 475 HB2 SER 62 HB2 SER 62 0.048 -2.210 -11.627 476 HB3 SER 62 HB3 SER 62 1.660 -2.771 -11.256 477 HG SER 62 HG SER 62 1.071 -0.882 -12.813 478 H MET 63 H MET 63 3.087 -4.406 -12.978 479 HA MET 63 HA MET 63 3.156 -6.810 -11.240 480 HB2 MET 63 HB2 MET 63 4.196 -6.987 -13.429 481 HB3 MET 63 HB3 MET 63 5.260 -5.616 -13.082 482 HG2 MET 63 HG2 MET 63 6.563 -6.810 -11.640 483 HG3 MET 63 HG3 MET 63 5.260 -7.869 -11.104 484 HE1 MET 63 HE1 MET 63 5.242 -10.863 -13.354 485 HE2 MET 63 HE2 MET 63 5.064 -10.271 -11.691 486 HE3 MET 63 HE3 MET 63 4.066 -9.580 -12.992 487 H VAL 64 H VAL 64 4.187 -6.803 -9.320 488 HA VAL 64 HA VAL 64 5.044 -4.185 -8.171 489 HB VAL 64 HB VAL 64 3.078 -6.226 -7.071 490 HG11 VAL 64 HG11 VAL 64 4.120 -3.715 -5.701 491 HG12 VAL 64 HG12 VAL 64 2.733 -4.682 -5.163 492 HG13 VAL 64 HG13 VAL 64 4.343 -5.396 -5.157 493 HG21 VAL 64 HG21 VAL 64 2.030 -4.766 -8.695 494 HG22 VAL 64 HG22 VAL 64 1.549 -4.196 -7.094 495 HG23 VAL 64 HG23 VAL 64 2.804 -3.335 -7.992 496 H ASP 65 H ASP 65 6.552 -4.120 -6.642 497 HA ASP 65 HA ASP 65 8.179 -6.550 -6.134 498 HB2 ASP 65 HB2 ASP 65 9.342 -4.507 -6.799 499 HB3 ASP 65 HB3 ASP 65 8.677 -3.644 -5.406 500 H GLU 66 H GLU 66 7.611 -7.837 -4.519 501 HA GLU 66 HA GLU 66 6.911 -6.662 -1.853 502 HB2 GLU 66 HB2 GLU 66 6.326 -9.466 -2.863 503 HB3 GLU 66 HB3 GLU 66 5.936 -8.809 -1.265 504 HG2 GLU 66 HG2 GLU 66 4.580 -7.004 -2.454 505 HG3 GLU 66 HG3 GLU 66 4.770 -7.949 -3.936 506 H SER 67 H SER 67 9.635 -7.335 -3.363 507 HA SER 67 HA SER 67 10.925 -9.421 -2.073 508 HB2 SER 67 HB2 SER 67 11.745 -8.271 -4.095 509 HB3 SER 67 HB3 SER 67 12.176 -6.852 -3.123 510 HG SER 67 HG SER 67 13.926 -8.384 -3.528 511 H LEU 68 H LEU 68 10.778 -5.997 -0.855 512 HA LEU 68 HA LEU 68 12.503 -6.808 1.389 513 HB2 LEU 68 HB2 LEU 68 12.572 -4.563 0.265 514 HB3 LEU 68 HB3 LEU 68 10.972 -4.203 0.869 515 HG LEU 68 HG LEU 68 12.905 -3.108 2.015 516 HD11 LEU 68 HD11 LEU 68 11.380 -4.746 4.047 517 HD12 LEU 68 HD12 LEU 68 12.029 -3.116 4.182 518 HD13 LEU 68 HD13 LEU 68 10.648 -3.426 3.111 519 HD21 LEU 68 HD21 LEU 68 14.470 -5.025 2.072 520 HD22 LEU 68 HD22 LEU 68 14.234 -4.280 3.660 521 HD23 LEU 68 HD23 LEU 68 13.436 -5.816 3.290 522 H ILE 69 H ILE 69 9.061 -6.470 0.804 523 HA ILE 69 HA ILE 69 8.147 -6.501 3.523 524 HB ILE 69 HB ILE 69 6.754 -7.625 1.066 525 HG12 ILE 69 HG12 ILE 69 7.381 -5.278 0.649 526 HG13 ILE 69 HG13 ILE 69 5.657 -5.545 0.703 527 HG21 ILE 69 HG21 ILE 69 5.739 -8.334 3.235 528 HG22 ILE 69 HG22 ILE 69 5.561 -6.645 3.698 529 HG23 ILE 69 HG23 ILE 69 4.692 -7.303 2.289 530 HD11 ILE 69 HD11 ILE 69 5.489 -4.517 2.912 531 HD12 ILE 69 HD12 ILE 69 7.263 -4.355 3.001 532 HD13 ILE 69 HD13 ILE 69 6.331 -3.440 1.797 533 H THR 70 H THR 70 8.273 -9.217 1.172 534 HA THR 70 HA THR 70 8.244 -11.143 3.469 535 HB THR 70 HB THR 70 7.029 -12.633 2.077 536 HG1 THR 70 HG1 THR 70 6.516 -11.645 -0.129 537 HG21 THR 70 HG21 THR 70 5.859 -9.910 1.390 538 HG22 THR 70 HG22 THR 70 5.027 -11.461 1.437 539 HG23 THR 70 HG23 THR 70 5.617 -10.749 2.951 540 H GLY 71 H GLY 71 10.466 -10.068 1.193 541 HA2 GLY 71 HA2 GLY 71 12.594 -10.853 0.828 542 HA3 GLY 71 HA3 GLY 71 12.195 -12.388 1.597 543 H GLU 72 H GLU 72 9.938 -11.632 -0.877 544 HA GLU 72 HA GLU 72 10.332 -13.924 -2.385 545 HB2 GLU 72 HB2 GLU 72 9.270 -11.202 -3.222 546 HB3 GLU 72 HB3 GLU 72 9.369 -12.511 -4.391 547 HG2 GLU 72 HG2 GLU 72 7.851 -12.659 -1.797 548 HG3 GLU 72 HG3 GLU 72 7.119 -12.278 -3.337 549 H ALA 73 H ALA 73 11.545 -10.786 -3.571 550 HA ALA 73 HA ALA 73 13.232 -10.131 -4.834 551 HB1 ALA 73 HB1 ALA 73 14.632 -12.727 -4.152 552 HB2 ALA 73 HB2 ALA 73 15.361 -11.321 -4.958 553 HB3 ALA 73 HB3 ALA 73 14.760 -11.174 -3.298 554 H MET 74 H MET 74 10.969 -11.905 -5.714 555 HA MET 74 HA MET 74 11.612 -11.810 -8.583 556 HB2 MET 74 HB2 MET 74 11.693 -14.185 -8.053 557 HB3 MET 74 HB3 MET 74 10.201 -14.058 -7.107 558 HG2 MET 74 HG2 MET 74 8.906 -13.562 -9.106 559 HG3 MET 74 HG3 MET 74 10.377 -13.543 -10.084 560 HE1 MET 74 HE1 MET 74 7.903 -15.793 -7.967 561 HE2 MET 74 HE2 MET 74 8.581 -17.415 -8.226 562 HE3 MET 74 HE3 MET 74 9.461 -16.239 -7.231 563 HA PRO 75 HA PRO 75 8.168 -9.111 -7.864 564 HB2 PRO 75 HB2 PRO 75 7.538 -8.295 -10.343 565 HB3 PRO 75 HB3 PRO 75 9.109 -7.904 -9.595 566 HG2 PRO 75 HG2 PRO 75 8.496 -10.215 -11.489 567 HG3 PRO 75 HG3 PRO 75 9.788 -8.980 -11.651 568 HD2 PRO 75 HD2 PRO 75 10.285 -11.399 -10.497 569 HD3 PRO 75 HD3 PRO 75 11.010 -9.903 -9.829 570 H VAL 76 H VAL 76 5.926 -8.874 -7.977 571 HA VAL 76 HA VAL 76 4.466 -11.428 -8.501 572 HB VAL 76 HB VAL 76 3.855 -9.205 -6.512 573 HG11 VAL 76 HG11 VAL 76 2.630 -11.977 -6.866 574 HG12 VAL 76 HG12 VAL 76 2.303 -10.877 -5.513 575 HG13 VAL 76 HG13 VAL 76 1.815 -10.425 -7.148 576 HG21 VAL 76 HG21 VAL 76 5.895 -10.394 -5.824 577 HG22 VAL 76 HG22 VAL 76 4.546 -10.843 -4.780 578 HG23 VAL 76 HG23 VAL 76 5.082 -11.958 -6.055 579 H ALA 77 H ALA 77 2.710 -11.451 -9.811 580 HA ALA 77 HA ALA 77 1.948 -8.997 -11.263 581 HB1 ALA 77 HB1 ALA 77 0.419 -10.517 -12.480 582 HB2 ALA 77 HB2 ALA 77 2.089 -11.107 -12.466 583 HB3 ALA 77 HB3 ALA 77 0.879 -11.846 -11.393 584 H LYS 78 H LYS 78 0.263 -7.661 -10.812 585 HA LYS 78 HA LYS 78 -1.900 -8.578 -8.958 586 HB2 LYS 78 HB2 LYS 78 -0.865 -5.739 -9.261 587 HB3 LYS 78 HB3 LYS 78 -2.133 -6.283 -8.170 588 HG2 LYS 78 HG2 LYS 78 0.795 -7.118 -7.995 589 HG3 LYS 78 HG3 LYS 78 0.039 -5.812 -7.088 590 HD2 LYS 78 HD2 LYS 78 -1.452 -7.428 -5.960 591 HD3 LYS 78 HD3 LYS 78 -0.691 -8.764 -6.854 592 HE2 LYS 78 HE2 LYS 78 1.493 -8.233 -5.849 593 HE3 LYS 78 HE3 LYS 78 0.808 -6.816 -5.041 594 HZ1 LYS 78 HZ1 LYS 78 0.048 -9.632 -4.481 595 HZ2 LYS 78 HZ2 LYS 78 0.945 -8.640 -3.501 596 HZ3 LYS 78 HZ3 LYS 78 -0.651 -8.331 -3.791 597 H LYS 79 H LYS 79 -3.922 -8.008 -9.459 598 HA LYS 79 HA LYS 79 -4.724 -6.836 -12.051 599 HB2 LYS 79 HB2 LYS 79 -5.800 -9.022 -12.749 600 HB3 LYS 79 HB3 LYS 79 -4.065 -8.970 -12.768 601 HG2 LYS 79 HG2 LYS 79 -4.525 -11.045 -11.987 602 HG3 LYS 79 HG3 LYS 79 -4.088 -10.183 -10.532 603 HD2 LYS 79 HD2 LYS 79 -5.896 -11.650 -10.020 604 HD3 LYS 79 HD3 LYS 79 -6.536 -10.008 -9.960 605 HE2 LYS 79 HE2 LYS 79 -7.475 -10.301 -12.249 606 HE3 LYS 79 HE3 LYS 79 -6.778 -11.930 -12.334 607 HZ1 LYS 79 HZ1 LYS 79 -8.776 -11.049 -10.341 608 HZ2 LYS 79 HZ2 LYS 79 -9.171 -11.833 -11.694 609 HZ3 LYS 79 HZ3 LYS 79 -8.254 -12.612 -10.553 610 HA PRO 80 HA PRO 80 -8.434 -5.921 -9.788 611 HB2 PRO 80 HB2 PRO 80 -10.570 -6.711 -11.387 612 HB3 PRO 80 HB3 PRO 80 -9.619 -5.214 -11.611 613 HG2 PRO 80 HG2 PRO 80 -9.285 -7.887 -13.000 614 HG3 PRO 80 HG3 PRO 80 -9.314 -6.241 -13.726 615 HD2 PRO 80 HD2 PRO 80 -6.981 -7.481 -13.249 616 HD3 PRO 80 HD3 PRO 80 -7.156 -5.747 -12.919 617 H GLY 81 H GLY 81 -9.429 -6.906 -8.085 618 HA2 GLY 81 HA2 GLY 81 -10.230 -8.609 -6.713 619 HA3 GLY 81 HA3 GLY 81 -10.071 -9.781 -8.020 620 H SER 82 H SER 82 -7.413 -7.669 -6.945 621 HA SER 82 HA SER 82 -5.916 -10.042 -5.838 622 HB2 SER 82 HB2 SER 82 -5.013 -9.191 -7.986 623 HB3 SER 82 HB3 SER 82 -4.838 -7.588 -7.251 624 HG SER 82 HG SER 82 -3.418 -9.979 -6.653 625 H THR 83 H THR 83 -4.481 -9.606 -3.958 626 HA THR 83 HA THR 83 -5.274 -7.164 -2.434 627 HB THR 83 HB THR 83 -4.617 -8.400 -0.410 628 HG1 THR 83 HG1 THR 83 -4.347 -10.513 -0.454 629 HG21 THR 83 HG21 THR 83 -6.851 -9.638 -2.080 630 HG22 THR 83 HG22 THR 83 -6.648 -9.812 -0.322 631 HG23 THR 83 HG23 THR 83 -6.969 -8.219 -1.020 632 H VAL 84 H VAL 84 -3.795 -6.039 -1.187 633 HA VAL 84 HA VAL 84 -0.918 -6.336 -1.851 634 HB VAL 84 HB VAL 84 -0.776 -3.895 -2.366 635 HG11 VAL 84 HG11 VAL 84 -0.751 -5.538 -4.178 636 HG12 VAL 84 HG12 VAL 84 -2.518 -5.468 -4.301 637 HG13 VAL 84 HG13 VAL 84 -1.534 -4.037 -4.678 638 HG21 VAL 84 HG21 VAL 84 -2.945 -3.162 -1.371 639 HG22 VAL 84 HG22 VAL 84 -2.728 -2.641 -3.049 640 HG23 VAL 84 HG23 VAL 84 -3.801 -4.000 -2.688 641 H ILE 85 H ILE 85 0.456 -4.860 -0.636 642 HA ILE 85 HA ILE 85 -0.650 -3.886 1.932 643 HB ILE 85 HB ILE 85 1.108 -4.673 3.286 644 HG12 ILE 85 HG12 ILE 85 3.071 -4.685 2.010 645 HG13 ILE 85 HG13 ILE 85 2.787 -6.311 2.597 646 HG21 ILE 85 HG21 ILE 85 -0.822 -6.171 2.986 647 HG22 ILE 85 HG22 ILE 85 0.058 -7.047 1.718 648 HG23 ILE 85 HG23 ILE 85 0.667 -7.041 3.381 649 HD11 ILE 85 HD11 ILE 85 2.455 -5.274 -0.235 650 HD12 ILE 85 HD12 ILE 85 3.599 -6.487 0.339 651 HD13 ILE 85 HD13 ILE 85 1.877 -6.883 0.271 652 H ALA 86 H ALA 86 0.597 -2.313 3.024 653 HA ALA 86 HA ALA 86 1.444 -0.309 1.263 654 HB1 ALA 86 HB1 ALA 86 1.935 0.972 3.344 655 HB2 ALA 86 HB2 ALA 86 0.382 0.126 3.439 656 HB3 ALA 86 HB3 ALA 86 1.783 -0.530 4.287 657 H GLY 87 H GLY 87 3.393 0.702 0.864 658 HA2 GLY 87 HA2 GLY 87 5.716 1.024 0.788 659 HA3 GLY 87 HA3 GLY 87 5.941 -0.262 1.970 660 H SER 88 H SER 88 4.063 -1.669 -0.375 661 HA SER 88 HA SER 88 6.337 -2.742 -1.921 662 HB2 SER 88 HB2 SER 88 4.705 -4.111 -3.081 663 HB3 SER 88 HB3 SER 88 4.626 -4.317 -1.332 664 HG SER 88 HG SER 88 2.699 -3.109 -1.314 665 H ILE 89 H ILE 89 6.566 -2.463 -4.225 666 HA ILE 89 HA ILE 89 5.756 0.306 -5.007 667 HB ILE 89 HB ILE 89 8.117 -1.012 -6.270 668 HG12 ILE 89 HG12 ILE 89 8.605 -1.513 -3.924 669 HG13 ILE 89 HG13 ILE 89 9.700 -0.348 -4.631 670 HG21 ILE 89 HG21 ILE 89 7.484 1.848 -5.399 671 HG22 ILE 89 HG22 ILE 89 8.927 1.326 -6.294 672 HG23 ILE 89 HG23 ILE 89 7.326 1.194 -7.029 673 HD11 ILE 89 HD11 ILE 89 7.400 0.427 -2.792 674 HD12 ILE 89 HD12 ILE 89 9.087 0.202 -2.296 675 HD13 ILE 89 HD13 ILE 89 8.679 1.487 -3.431 676 H ASN 90 H ASN 90 4.786 0.751 -6.902 677 HA ASN 90 HA ASN 90 3.867 -1.492 -8.588 678 HB2 ASN 90 HB2 ASN 90 2.288 0.124 -7.480 679 HB3 ASN 90 HB3 ASN 90 3.037 1.440 -8.377 680 HD21 ASN 90 HD22 ASN 90 2.045 1.929 -10.258 681 HD22 ASN 90 HD21 ASN 90 0.946 0.832 -11.097 682 H GLN 91 H GLN 91 4.372 -1.755 -10.768 683 HA GLN 91 HA GLN 91 6.676 -0.264 -11.643 684 HB2 GLN 91 HB2 GLN 91 6.519 -2.710 -11.714 685 HB3 GLN 91 HB3 GLN 91 5.304 -2.607 -12.978 686 HG2 GLN 91 HG2 GLN 91 7.478 -3.123 -13.935 687 HG3 GLN 91 HG3 GLN 91 6.998 -1.521 -14.480 688 HE21 GLN 91 HE22 GLN 91 8.334 0.275 -13.880 689 HE22 GLN 91 HE21 GLN 91 9.687 0.115 -12.750 690 H ASN 92 H ASN 92 4.457 -1.212 -14.172 691 HA ASN 92 HA ASN 92 4.851 1.491 -15.346 692 HB2 ASN 92 HB2 ASN 92 5.829 -0.431 -16.460 693 HB3 ASN 92 HB3 ASN 92 4.253 -1.208 -16.590 694 HD21 ASN 92 HD22 ASN 92 2.936 -0.689 -18.311 695 HD22 ASN 92 HD21 ASN 92 3.414 0.465 -19.548 696 H GLY 93 H GLY 93 2.028 -0.569 -14.632 697 HA2 GLY 93 HA2 GLY 93 0.220 1.425 -15.928 698 HA3 GLY 93 HA3 GLY 93 -0.176 -0.243 -15.549 699 H SER 94 H SER 94 -1.615 2.199 -14.849 700 HA SER 94 HA SER 94 -1.271 2.558 -11.933 701 HB2 SER 94 HB2 SER 94 -1.270 4.483 -13.495 702 HB3 SER 94 HB3 SER 94 -2.930 4.105 -13.952 703 HG SER 94 HG SER 94 -2.234 4.518 -11.229 704 H LEU 95 H LEU 95 -2.843 2.185 -10.421 705 HA LEU 95 HA LEU 95 -5.231 0.532 -11.205 706 HB2 LEU 95 HB2 LEU 95 -3.727 -0.136 -8.723 707 HB3 LEU 95 HB3 LEU 95 -4.602 -1.184 -9.802 708 HG LEU 95 HG LEU 95 -1.808 -0.068 -10.346 709 HD11 LEU 95 HD11 LEU 95 -1.839 -1.504 -8.361 710 HD12 LEU 95 HD12 LEU 95 -2.689 -2.778 -9.260 711 HD13 LEU 95 HD13 LEU 95 -1.033 -2.317 -9.703 712 HD21 LEU 95 HD21 LEU 95 -3.070 -2.511 -11.552 713 HD22 LEU 95 HD22 LEU 95 -3.432 -0.931 -12.260 714 HD23 LEU 95 HD23 LEU 95 -1.773 -1.481 -12.219 715 H LEU 96 H LEU 96 -6.802 0.231 -9.483 716 HA LEU 96 HA LEU 96 -6.820 2.434 -7.453 717 HB2 LEU 96 HB2 LEU 96 -9.162 1.343 -9.035 718 HB3 LEU 96 HB3 LEU 96 -9.317 2.239 -7.544 719 HG LEU 96 HG LEU 96 -7.819 4.062 -8.754 720 HD11 LEU 96 HD11 LEU 96 -7.404 2.813 -10.857 721 HD12 LEU 96 HD12 LEU 96 -9.152 2.640 -11.104 722 HD13 LEU 96 HD13 LEU 96 -8.404 4.235 -11.167 723 HD21 LEU 96 HD21 LEU 96 -10.097 4.445 -7.964 724 HD22 LEU 96 HD22 LEU 96 -9.897 5.134 -9.582 725 HD23 LEU 96 HD23 LEU 96 -10.759 3.596 -9.379 726 H ILE 97 H ILE 97 -6.841 1.902 -5.450 727 HA ILE 97 HA ILE 97 -7.431 -0.918 -4.634 728 HB ILE 97 HB ILE 97 -5.414 0.962 -3.359 729 HG12 ILE 97 HG12 ILE 97 -3.857 -0.933 -4.507 730 HG13 ILE 97 HG13 ILE 97 -5.135 -0.898 -5.712 731 HG21 ILE 97 HG21 ILE 97 -5.783 -2.059 -3.140 732 HG22 ILE 97 HG22 ILE 97 -4.549 -1.084 -2.321 733 HG23 ILE 97 HG23 ILE 97 -6.242 -0.873 -1.893 734 HD11 ILE 97 HD11 ILE 97 -3.280 0.591 -6.286 735 HD12 ILE 97 HD12 ILE 97 -4.729 1.553 -6.032 736 HD13 ILE 97 HD13 ILE 97 -3.481 1.487 -4.767 737 H CYS 98 H CYS 98 -8.723 -1.322 -2.936 738 HA CYS 98 HA CYS 98 -10.272 0.907 -1.778 739 HB2 CYS 98 HB2 CYS 98 -10.594 -2.093 -1.376 740 HB3 CYS 98 HB3 CYS 98 -11.764 -0.831 -0.984 741 HG CYS 98 HG CYS 98 -10.551 -1.752 -3.921 742 H ALA 99 H ALA 99 -9.578 1.894 0.072 743 HA ALA 99 HA ALA 99 -7.763 0.572 1.915 744 HB1 ALA 99 HB1 ALA 99 -9.211 3.252 2.039 745 HB2 ALA 99 HB2 ALA 99 -7.890 2.729 3.104 746 HB3 ALA 99 HB3 ALA 99 -7.590 2.966 1.368 747 H THR 100 H THR 100 -8.522 -0.965 3.218 748 HA THR 100 HA THR 100 -11.007 -0.496 4.817 749 HB THR 100 HB THR 100 -10.952 -2.531 3.497 750 HG1 THR 100 HG1 THR 100 -10.852 -2.753 6.297 751 HG21 THR 100 HG21 THR 100 -8.655 -3.400 5.311 752 HG22 THR 100 HG22 THR 100 -9.541 -4.416 4.160 753 HG23 THR 100 HG23 THR 100 -8.551 -3.081 3.561 754 H HIS 101 H HIS 101 -7.899 0.233 5.296 755 HA HIS 101 HA HIS 101 -8.108 0.304 8.227 756 HB2 HIS 101 HB2 HIS 101 -5.788 -0.940 6.658 757 HB3 HIS 101 HB3 HIS 101 -5.689 -0.468 8.342 758 HD1 HIS 101 HD1 HIS 101 -5.941 -3.528 6.538 759 HD2 HIS 101 HD2 HIS 101 -7.839 -1.836 9.898 760 HE1 HIS 101 HE1 HIS 101 -6.947 -5.463 7.858 761 H VAL 102 H VAL 102 -6.991 2.168 9.015 762 HA VAL 102 HA VAL 102 -5.590 3.898 7.000 763 HB VAL 102 HB VAL 102 -5.242 5.497 8.844 764 HG11 VAL 102 HG11 VAL 102 -8.140 4.778 8.260 765 HG12 VAL 102 HG12 VAL 102 -7.524 6.364 8.793 766 HG13 VAL 102 HG13 VAL 102 -7.038 5.724 7.213 767 HG21 VAL 102 HG21 VAL 102 -7.302 3.927 10.422 768 HG22 VAL 102 HG22 VAL 102 -5.557 3.890 10.783 769 HG23 VAL 102 HG23 VAL 102 -6.467 5.410 10.893 770 H GLY 103 H GLY 103 -3.285 4.726 7.779 771 HA2 GLY 103 HA2 GLY 103 -1.695 2.448 7.373 772 HA3 GLY 103 HA3 GLY 103 -1.099 3.998 7.911 773 H ALA 104 H ALA 104 -2.271 4.155 10.484 774 HA ALA 104 HA ALA 104 -0.638 2.644 12.179 775 HB1 ALA 104 HB1 ALA 104 -3.427 3.791 12.713 776 HB2 ALA 104 HB2 ALA 104 -2.223 3.370 13.947 777 HB3 ALA 104 HB3 ALA 104 -1.900 4.690 12.817 778 H ASP 105 H ASP 105 -3.903 1.760 11.004 779 HA ASP 105 HA ASP 105 -4.101 -0.584 12.738 780 HB2 ASP 105 HB2 ASP 105 -5.931 1.140 11.479 781 HB3 ASP 105 HB3 ASP 105 -6.106 -0.378 10.617 782 H THR 106 H THR 106 -2.479 -0.104 9.817 783 HA THR 106 HA THR 106 -3.207 -2.518 8.417 784 HB THR 106 HB THR 106 -1.249 -2.128 7.010 785 HG1 THR 106 HG1 THR 106 -0.582 0.055 8.646 786 HG21 THR 106 HG21 THR 106 -3.202 -0.830 6.467 787 HG22 THR 106 HG22 THR 106 -2.723 0.436 7.606 788 HG23 THR 106 HG23 THR 106 -1.720 0.113 6.179 789 H THR 107 H THR 107 -1.857 -4.340 7.877 790 HA THR 107 HA THR 107 -0.616 -5.656 10.107 791 HB THR 107 HB THR 107 -1.641 -6.856 8.224 792 HG1 THR 107 HG1 THR 107 -0.229 -8.504 8.329 793 HG21 THR 107 HG21 THR 107 -0.435 -7.334 6.195 794 HG22 THR 107 HG22 THR 107 -0.639 -5.582 6.307 795 HG23 THR 107 HG23 THR 107 0.934 -6.326 6.692 796 H LEU 108 H LEU 108 0.767 -3.605 7.554 797 HA LEU 108 HA LEU 108 3.518 -4.191 7.988 798 HB2 LEU 108 HB2 LEU 108 2.352 -2.780 6.120 799 HB3 LEU 108 HB3 LEU 108 2.384 -1.460 7.280 800 HG LEU 108 HG LEU 108 4.979 -2.037 7.447 801 HD11 LEU 108 HD11 LEU 108 4.984 -4.072 6.088 802 HD12 LEU 108 HD12 LEU 108 4.175 -3.229 4.746 803 HD13 LEU 108 HD13 LEU 108 5.833 -2.793 5.190 804 HD21 LEU 108 HD21 LEU 108 3.980 0.049 6.516 805 HD22 LEU 108 HD22 LEU 108 5.484 -0.457 5.725 806 HD23 LEU 108 HD23 LEU 108 3.931 -0.737 4.916 807 H SER 109 H SER 109 1.398 -1.762 9.530 808 HA SER 109 HA SER 109 3.370 -0.858 11.465 809 HB2 SER 109 HB2 SER 109 0.350 -0.582 11.388 810 HB3 SER 109 HB3 SER 109 1.426 0.253 12.529 811 HG SER 109 HG SER 109 0.735 1.167 10.251 812 H GLN 110 H GLN 110 0.930 -3.461 11.445 813 HA GLN 110 HA GLN 110 0.876 -4.012 14.255 814 HB2 GLN 110 HB2 GLN 110 -0.679 -4.823 12.339 815 HB3 GLN 110 HB3 GLN 110 0.553 -6.002 11.976 816 HG2 GLN 110 HG2 GLN 110 -0.875 -7.243 13.216 817 HG3 GLN 110 HG3 GLN 110 0.304 -6.780 14.448 818 HE21 GLN 110 HE22 GLN 110 -2.736 -5.408 12.930 819 HE22 GLN 110 HE21 GLN 110 -3.396 -4.895 14.449 820 H ILE 111 H ILE 111 2.915 -5.269 11.586 821 HA ILE 111 HA ILE 111 4.408 -7.197 13.031 822 HB ILE 111 HB ILE 111 5.038 -5.550 10.557 823 HG12 ILE 111 HG12 ILE 111 4.414 -8.526 10.755 824 HG13 ILE 111 HG13 ILE 111 3.138 -7.337 10.630 825 HG21 ILE 111 HG21 ILE 111 6.857 -7.237 10.091 826 HG22 ILE 111 HG22 ILE 111 7.213 -6.195 11.458 827 HG23 ILE 111 HG23 ILE 111 6.651 -7.856 11.741 828 HD11 ILE 111 HD11 ILE 111 3.579 -8.179 8.428 829 HD12 ILE 111 HD12 ILE 111 4.130 -6.497 8.488 830 HD13 ILE 111 HD13 ILE 111 5.310 -7.829 8.559 831 H VAL 112 H VAL 112 5.424 -3.781 12.286 832 HA VAL 112 HA VAL 112 7.798 -4.070 13.847 833 HB VAL 112 HB VAL 112 8.126 -1.685 13.670 834 HG11 VAL 112 HG11 VAL 112 7.031 -2.722 11.032 835 HG12 VAL 112 HG12 VAL 112 8.311 -1.515 11.314 836 HG13 VAL 112 HG13 VAL 112 8.590 -3.212 11.729 837 HG21 VAL 112 HG21 VAL 112 5.832 -0.822 13.985 838 HG22 VAL 112 HG22 VAL 112 6.535 -0.234 12.475 839 HG23 VAL 112 HG23 VAL 112 5.342 -1.542 12.434 840 H LYS 113 H LYS 113 4.585 -3.325 14.903 841 HA LYS 113 HA LYS 113 5.340 -2.394 17.592 842 HB2 LYS 113 HB2 LYS 113 2.717 -3.384 16.405 843 HB3 LYS 113 HB3 LYS 113 2.907 -2.801 18.065 844 HG2 LYS 113 HG2 LYS 113 3.546 -0.571 17.282 845 HG3 LYS 113 HG3 LYS 113 3.594 -1.122 15.621 846 HD2 LYS 113 HD2 LYS 113 1.575 0.026 15.771 847 HD3 LYS 113 HD3 LYS 113 1.127 -1.686 15.786 848 HE2 LYS 113 HE2 LYS 113 1.020 -1.615 18.269 849 HE3 LYS 113 HE3 LYS 113 1.494 0.097 18.228 850 HZ1 LYS 113 HZ1 LYS 113 -0.899 -0.081 18.451 851 HZ2 LYS 113 HZ2 LYS 113 -0.556 0.535 16.980 852 HZ3 LYS 113 HZ3 LYS 113 -1.001 -1.048 17.109 853 H LEU 114 H LEU 114 4.169 -5.537 16.220 854 HA LEU 114 HA LEU 114 4.332 -6.910 18.734 855 HB2 LEU 114 HB2 LEU 114 3.951 -7.604 15.833 856 HB3 LEU 114 HB3 LEU 114 4.478 -8.908 16.883 857 HG LEU 114 HG LEU 114 2.016 -7.200 17.291 858 HD11 LEU 114 HD11 LEU 114 2.276 -10.063 16.275 859 HD12 LEU 114 HD12 LEU 114 0.757 -9.192 16.573 860 HD13 LEU 114 HD13 LEU 114 1.851 -8.640 15.297 861 HD21 LEU 114 HD21 LEU 114 2.763 -8.125 19.449 862 HD22 LEU 114 HD22 LEU 114 1.385 -9.071 18.902 863 HD23 LEU 114 HD23 LEU 114 3.033 -9.719 18.722 864 H VAL 115 H VAL 115 6.708 -6.309 16.260 865 HA VAL 115 HA VAL 115 8.766 -8.031 17.455 866 HB VAL 115 HB VAL 115 9.057 -5.692 15.540 867 HG11 VAL 115 HG11 VAL 115 11.135 -7.689 16.563 868 HG12 VAL 115 HG12 VAL 115 11.374 -6.614 15.178 869 HG13 VAL 115 HG13 VAL 115 11.162 -5.924 16.788 870 HG21 VAL 115 HG21 VAL 115 9.347 -8.710 15.128 871 HG22 VAL 115 HG22 VAL 115 7.946 -7.758 14.620 872 HG23 VAL 115 HG23 VAL 115 9.522 -7.452 13.885 873 H GLU 116 H GLU 116 8.366 -4.436 17.564 874 HA GLU 116 HA GLU 116 10.234 -3.893 19.492 875 HB2 GLU 116 HB2 GLU 116 8.845 -2.356 18.101 876 HB3 GLU 116 HB3 GLU 116 7.523 -2.496 19.256 877 HG2 GLU 116 HG2 GLU 116 10.213 -1.724 20.328 878 HG3 GLU 116 HG3 GLU 116 9.473 -0.593 19.207 879 H GLU 117 H GLU 117 7.040 -5.204 20.181 880 HA GLU 117 HA GLU 117 7.053 -4.765 23.064 881 HB2 GLU 117 HB2 GLU 117 5.556 -6.659 21.218 882 HB3 GLU 117 HB3 GLU 117 5.270 -6.596 22.948 883 HG2 GLU 117 HG2 GLU 117 5.079 -3.967 21.510 884 HG3 GLU 117 HG3 GLU 117 3.878 -5.178 21.084 885 H ALA 118 H ALA 118 8.417 -7.235 20.955 886 HA ALA 118 HA ALA 118 8.501 -9.302 22.945 887 HB1 ALA 118 HB1 ALA 118 9.833 -10.516 21.209 888 HB2 ALA 118 HB2 ALA 118 8.304 -9.837 20.600 889 HB3 ALA 118 HB3 ALA 118 9.838 -9.043 20.229 890 H GLN 119 H GLN 119 11.298 -7.584 21.450 891 HA GLN 119 HA GLN 119 13.163 -8.546 23.345 892 HB2 GLN 119 HB2 GLN 119 13.359 -6.253 21.375 893 HB3 GLN 119 HB3 GLN 119 14.698 -6.966 22.236 894 HG2 GLN 119 HG2 GLN 119 14.768 -7.946 20.112 895 HG3 GLN 119 HG3 GLN 119 14.073 -9.204 21.191 896 HE21 GLN 119 HE22 GLN 119 12.749 -6.390 19.433 897 HE22 GLN 119 HE21 GLN 119 11.379 -7.327 18.971 Start of MODEL 28 1 H SER 1 H SER 1 19.179 -4.922 12.575 2 HA SER 1 HA SER 1 16.955 -3.554 13.948 3 HB2 SER 1 HB2 SER 1 18.761 -2.337 15.099 4 HB3 SER 1 HB3 SER 1 18.946 -4.102 15.209 5 HG SER 1 HG SER 1 20.912 -3.413 14.594 6 H GLU 2 H GLU 2 18.715 -3.034 10.986 7 HA GLU 2 HA GLU 2 17.961 -0.155 10.883 8 HB2 GLU 2 HB2 GLU 2 19.251 -1.919 8.757 9 HB3 GLU 2 HB3 GLU 2 18.905 -0.194 8.634 10 HG2 GLU 2 HG2 GLU 2 20.392 0.219 10.610 11 HG3 GLU 2 HG3 GLU 2 20.825 -1.497 10.606 12 H ALA 3 H ALA 3 16.911 -3.320 9.640 13 HA ALA 3 HA ALA 3 14.734 -2.396 8.049 14 HB1 ALA 3 HB1 ALA 3 15.566 -4.679 7.942 15 HB2 ALA 3 HB2 ALA 3 15.072 -4.981 9.625 16 HB3 ALA 3 HB3 ALA 3 13.848 -4.687 8.370 17 H LEU 4 H LEU 4 15.075 -2.675 11.522 18 HA LEU 4 HA LEU 4 12.274 -2.516 12.249 19 HB2 LEU 4 HB2 LEU 4 14.267 -3.219 13.741 20 HB3 LEU 4 HB3 LEU 4 14.630 -1.506 13.879 21 HG LEU 4 HG LEU 4 12.166 -1.240 14.727 22 HD11 LEU 4 HD11 LEU 4 12.634 -4.208 15.211 23 HD12 LEU 4 HD12 LEU 4 11.271 -3.242 15.828 24 HD13 LEU 4 HD13 LEU 4 11.441 -3.543 14.084 25 HD21 LEU 4 HD21 LEU 4 14.211 -2.736 16.410 26 HD22 LEU 4 HD22 LEU 4 14.128 -0.975 16.177 27 HD23 LEU 4 HD23 LEU 4 12.817 -1.811 17.018 28 H ALA 5 H ALA 5 14.661 -0.094 11.282 29 HA ALA 5 HA ALA 5 12.884 2.176 11.858 30 HB1 ALA 5 HB1 ALA 5 15.321 2.440 12.110 31 HB2 ALA 5 HB2 ALA 5 15.547 2.052 10.389 32 HB3 ALA 5 HB3 ALA 5 14.663 3.515 10.868 33 H LYS 6 H LYS 6 13.977 0.218 9.034 34 HA LYS 6 HA LYS 6 12.854 1.803 7.004 35 HB2 LYS 6 HB2 LYS 6 14.566 -0.033 6.798 36 HB3 LYS 6 HB3 LYS 6 13.258 -1.213 6.930 37 HG2 LYS 6 HG2 LYS 6 12.284 -0.511 4.866 38 HG3 LYS 6 HG3 LYS 6 13.255 0.965 4.813 39 HD2 LYS 6 HD2 LYS 6 15.293 -0.299 4.401 40 HD3 LYS 6 HD3 LYS 6 14.432 -1.848 4.578 41 HE2 LYS 6 HE2 LYS 6 13.082 -1.411 2.613 42 HE3 LYS 6 HE3 LYS 6 13.619 0.266 2.558 43 HZ1 LYS 6 HZ1 LYS 6 15.779 -0.414 1.880 44 HZ2 LYS 6 HZ2 LYS 6 15.441 -2.030 2.039 45 HZ3 LYS 6 HZ3 LYS 6 14.723 -1.109 0.879 46 H LEU 7 H LEU 7 11.242 -0.839 8.850 47 HA LEU 7 HA LEU 7 8.906 -0.944 7.256 48 HB2 LEU 7 HB2 LEU 7 9.605 -1.666 10.090 49 HB3 LEU 7 HB3 LEU 7 7.906 -1.572 9.675 50 HG LEU 7 HG LEU 7 8.537 -3.830 9.518 51 HD11 LEU 7 HD11 LEU 7 7.085 -2.821 7.685 52 HD12 LEU 7 HD12 LEU 7 8.479 -2.988 6.605 53 HD13 LEU 7 HD13 LEU 7 7.782 -4.425 7.374 54 HD21 LEU 7 HD21 LEU 7 10.922 -3.739 9.221 55 HD22 LEU 7 HD22 LEU 7 10.220 -4.696 7.915 56 HD23 LEU 7 HD23 LEU 7 10.750 -3.030 7.594 57 H ILE 8 H ILE 8 9.661 1.438 9.795 58 HA ILE 8 HA ILE 8 7.063 2.779 9.466 59 HB ILE 8 HB ILE 8 9.608 3.609 10.865 60 HG12 ILE 8 HG12 ILE 8 8.429 1.813 12.012 61 HG13 ILE 8 HG13 ILE 8 8.327 3.309 12.920 62 HG21 ILE 8 HG21 ILE 8 6.980 5.124 10.599 63 HG22 ILE 8 HG22 ILE 8 8.185 5.448 11.861 64 HG23 ILE 8 HG23 ILE 8 8.611 5.676 10.166 65 HD11 ILE 8 HD11 ILE 8 6.194 2.203 13.053 66 HD12 ILE 8 HD12 ILE 8 5.968 3.628 12.040 67 HD13 ILE 8 HD13 ILE 8 6.094 2.013 11.298 68 H SER 9 H SER 9 10.299 3.102 7.976 69 HA SER 9 HA SER 9 9.825 5.676 6.753 70 HB2 SER 9 HB2 SER 9 11.716 3.446 5.901 71 HB3 SER 9 HB3 SER 9 11.799 5.146 5.417 72 HG SER 9 HG SER 9 12.133 5.712 7.585 73 H LEU 10 H LEU 10 9.117 2.364 5.832 74 HA LEU 10 HA LEU 10 8.571 2.623 3.042 75 HB2 LEU 10 HB2 LEU 10 8.097 0.690 5.326 76 HB3 LEU 10 HB3 LEU 10 7.127 0.457 3.892 77 HG LEU 10 HG LEU 10 10.130 0.748 3.597 78 HD11 LEU 10 HD11 LEU 10 8.599 -1.815 4.235 79 HD12 LEU 10 HD12 LEU 10 10.279 -1.719 3.654 80 HD13 LEU 10 HD13 LEU 10 9.856 -1.053 5.236 81 HD21 LEU 10 HD21 LEU 10 8.533 0.765 1.616 82 HD22 LEU 10 HD22 LEU 10 9.709 -0.555 1.594 83 HD23 LEU 10 HD23 LEU 10 8.035 -0.880 2.089 84 H GLN 11 H GLN 11 6.665 3.554 5.835 85 HA GLN 11 HA GLN 11 4.091 3.217 4.464 86 HB2 GLN 11 HB2 GLN 11 4.956 4.007 7.235 87 HB3 GLN 11 HB3 GLN 11 3.294 4.258 6.704 88 HG2 GLN 11 HG2 GLN 11 3.059 1.908 6.044 89 HG3 GLN 11 HG3 GLN 11 4.757 1.599 6.441 90 HE21 GLN 11 HE22 GLN 11 5.402 1.387 8.632 91 HE22 GLN 11 HE21 GLN 11 4.165 1.418 9.907 92 H ALA 12 H ALA 12 3.205 4.631 3.223 93 HA ALA 12 HA ALA 12 4.737 6.742 2.160 94 HB1 ALA 12 HB1 ALA 12 2.835 7.020 0.632 95 HB2 ALA 12 HB2 ALA 12 3.172 5.300 0.899 96 HB3 ALA 12 HB3 ALA 12 1.800 6.082 1.728 97 H THR 13 H THR 13 2.293 7.021 4.656 98 HA THR 13 HA THR 13 1.655 8.768 5.953 99 HB THR 13 HB THR 13 3.601 10.653 4.641 100 HG1 THR 13 HG1 THR 13 4.919 9.047 5.209 101 HG21 THR 13 HG21 THR 13 3.764 11.515 6.984 102 HG22 THR 13 HG22 THR 13 2.146 11.702 6.312 103 HG23 THR 13 HG23 THR 13 2.477 10.394 7.468 104 H GLU 14 H GLU 14 1.526 9.265 2.475 105 HA GLU 14 HA GLU 14 -0.930 10.903 2.912 106 HB2 GLU 14 HB2 GLU 14 -0.505 12.217 1.041 107 HB3 GLU 14 HB3 GLU 14 0.882 12.335 2.129 108 HG2 GLU 14 HG2 GLU 14 2.164 10.847 0.618 109 HG3 GLU 14 HG3 GLU 14 0.771 10.765 -0.475 110 H ALA 15 H ALA 15 -2.616 10.819 1.315 111 HA ALA 15 HA ALA 15 -2.692 8.339 -0.293 112 HB1 ALA 15 HB1 ALA 15 -3.646 7.766 1.879 113 HB2 ALA 15 HB2 ALA 15 -4.737 9.169 1.792 114 HB3 ALA 15 HB3 ALA 15 -4.915 7.826 0.638 115 H THR 16 H THR 16 -3.842 8.536 -2.113 116 HA THR 16 HA THR 16 -4.891 11.239 -2.829 117 HB THR 16 HB THR 16 -3.588 9.184 -4.610 118 HG1 THR 16 HG1 THR 16 -2.082 10.000 -3.255 119 HG21 THR 16 HG21 THR 16 -4.443 12.074 -5.073 120 HG22 THR 16 HG22 THR 16 -3.345 11.160 -6.141 121 HG23 THR 16 HG23 THR 16 -5.024 10.633 -5.934 122 H ILE 17 H ILE 17 -7.006 11.287 -2.699 123 HA ILE 17 HA ILE 17 -8.720 8.936 -3.117 124 HB ILE 17 HB ILE 17 -9.414 11.775 -2.257 125 HG12 ILE 17 HG12 ILE 17 -8.762 9.348 -0.584 126 HG13 ILE 17 HG13 ILE 17 -7.865 10.858 -0.654 127 HG21 ILE 17 HG21 ILE 17 -11.013 9.178 -2.057 128 HG22 ILE 17 HG22 ILE 17 -11.528 10.759 -1.426 129 HG23 ILE 17 HG23 ILE 17 -11.369 10.542 -3.143 130 HD11 ILE 17 HD11 ILE 17 -10.613 10.446 0.579 131 HD12 ILE 17 HD12 ILE 17 -9.101 10.834 1.390 132 HD13 ILE 17 HD13 ILE 17 -9.852 12.041 0.328 133 H VAL 18 H VAL 18 -10.003 8.561 -4.793 134 HA VAL 18 HA VAL 18 -10.354 10.666 -6.898 135 HB VAL 18 HB VAL 18 -11.404 8.911 -8.287 136 HG11 VAL 18 HG11 VAL 18 -9.075 9.562 -8.597 137 HG12 VAL 18 HG12 VAL 18 -8.546 8.376 -7.389 138 HG13 VAL 18 HG13 VAL 18 -9.292 7.841 -8.918 139 HG21 VAL 18 HG21 VAL 18 -10.196 6.912 -6.373 140 HG22 VAL 18 HG22 VAL 18 -11.935 7.293 -6.390 141 HG23 VAL 18 HG23 VAL 18 -11.158 6.601 -7.827 142 H THR 19 H THR 19 -12.244 11.526 -7.553 143 HA THR 19 HA THR 19 -14.690 11.128 -5.881 144 HB THR 19 HB THR 19 -13.204 13.698 -6.466 145 HG1 THR 19 HG1 THR 19 -12.998 13.728 -4.258 146 HG21 THR 19 HG21 THR 19 -15.914 13.207 -5.163 147 HG22 THR 19 HG22 THR 19 -14.988 14.714 -4.978 148 HG23 THR 19 HG23 THR 19 -15.574 14.234 -6.574 149 H LEU 20 H LEU 20 -16.345 10.655 -7.175 150 HA LEU 20 HA LEU 20 -16.510 11.827 -9.926 151 HB2 LEU 20 HB2 LEU 20 -18.128 9.490 -8.899 152 HB3 LEU 20 HB3 LEU 20 -18.133 10.217 -10.468 153 HG LEU 20 HG LEU 20 -15.852 9.498 -10.941 154 HD11 LEU 20 HD11 LEU 20 -14.703 9.261 -8.801 155 HD12 LEU 20 HD12 LEU 20 -15.950 8.127 -8.214 156 HD13 LEU 20 HD13 LEU 20 -14.842 7.672 -9.522 157 HD21 LEU 20 HD21 LEU 20 -17.870 8.134 -11.404 158 HD22 LEU 20 HD22 LEU 20 -16.436 7.127 -11.102 159 HD23 LEU 20 HD23 LEU 20 -17.670 7.322 -9.839 160 H ASP 21 H ASP 21 -17.068 13.904 -8.931 161 HA ASP 21 HA ASP 21 -19.608 14.225 -7.558 162 HB2 ASP 21 HB2 ASP 21 -17.383 15.903 -7.999 163 HB3 ASP 21 HB3 ASP 21 -18.610 16.575 -9.043 164 H SER 22 H SER 22 -18.796 13.773 -10.827 165 HA SER 22 HA SER 22 -21.589 14.041 -11.721 166 HB2 SER 22 HB2 SER 22 -19.297 15.238 -13.292 167 HB3 SER 22 HB3 SER 22 -21.007 15.225 -13.742 168 HG SER 22 HG SER 22 -20.006 17.178 -12.751 169 H ASP 23 H ASP 23 -22.069 12.356 -12.716 170 HA ASP 23 HA ASP 23 -21.600 9.997 -12.891 171 HB2 ASP 23 HB2 ASP 23 -23.329 11.363 -14.280 172 HB3 ASP 23 HB3 ASP 23 -22.314 11.020 -15.657 173 H ASN 24 H ASN 24 -19.106 10.098 -12.696 174 HA ASN 24 HA ASN 24 -17.035 9.447 -13.217 175 HB2 ASN 24 HB2 ASN 24 -18.152 8.075 -15.703 176 HB3 ASN 24 HB3 ASN 24 -16.570 7.819 -15.014 177 HD21 ASN 24 HD22 ASN 24 -19.933 7.300 -14.410 178 HD22 ASN 24 HD21 ASN 24 -19.566 5.812 -13.592 179 H ILE 25 H ILE 25 -18.764 11.154 -15.709 180 HA ILE 25 HA ILE 25 -16.861 12.128 -17.428 181 HB ILE 25 HB ILE 25 -18.642 13.964 -17.708 182 HG12 ILE 25 HG12 ILE 25 -20.205 12.443 -15.650 183 HG13 ILE 25 HG13 ILE 25 -19.390 13.982 -15.349 184 HG21 ILE 25 HG21 ILE 25 -19.449 11.033 -17.726 185 HG22 ILE 25 HG22 ILE 25 -20.246 12.317 -18.658 186 HG23 ILE 25 HG23 ILE 25 -18.571 11.879 -19.002 187 HD11 ILE 25 HD11 ILE 25 -20.765 14.999 -17.183 188 HD12 ILE 25 HD12 ILE 25 -21.659 13.465 -17.311 189 HD13 ILE 25 HD13 ILE 25 -21.718 14.397 -15.809 190 H LEU 26 H LEU 26 -16.511 12.706 -14.320 191 HA LEU 26 HA LEU 26 -15.060 15.325 -14.692 192 HB2 LEU 26 HB2 LEU 26 -17.113 15.679 -13.479 193 HB3 LEU 26 HB3 LEU 26 -16.813 14.281 -12.446 194 HG LEU 26 HG LEU 26 -14.837 15.502 -11.457 195 HD11 LEU 26 HD11 LEU 26 -14.486 17.224 -13.244 196 HD12 LEU 26 HD12 LEU 26 -16.090 17.903 -12.855 197 HD13 LEU 26 HD13 LEU 26 -14.798 17.930 -11.642 198 HD21 LEU 26 HD21 LEU 26 -17.014 15.355 -10.405 199 HD22 LEU 26 HD22 LEU 26 -16.252 16.913 -10.054 200 HD23 LEU 26 HD23 LEU 26 -17.564 16.818 -11.253 201 H LEU 27 H LEU 27 -15.172 12.340 -13.105 202 HA LEU 27 HA LEU 27 -13.792 11.434 -11.273 203 HB2 LEU 27 HB2 LEU 27 -13.664 10.216 -13.415 204 HB3 LEU 27 HB3 LEU 27 -12.270 11.182 -13.892 205 HG LEU 27 HG LEU 27 -10.924 10.164 -12.073 206 HD11 LEU 27 HD11 LEU 27 -13.442 8.565 -11.456 207 HD12 LEU 27 HD12 LEU 27 -11.829 8.234 -10.803 208 HD13 LEU 27 HD13 LEU 27 -12.645 9.739 -10.372 209 HD21 LEU 27 HD21 LEU 27 -11.060 9.065 -14.286 210 HD22 LEU 27 HD22 LEU 27 -10.827 7.893 -12.978 211 HD23 LEU 27 HD23 LEU 27 -12.432 8.096 -13.713 212 H SER 28 H SER 28 -13.369 13.534 -10.131 213 HA SER 28 HA SER 28 -10.822 14.897 -10.583 214 HB2 SER 28 HB2 SER 28 -13.042 15.129 -8.513 215 HB3 SER 28 HB3 SER 28 -11.563 16.090 -8.466 216 HG SER 28 HG SER 28 -13.309 17.150 -9.565 217 H GLU 29 H GLU 29 -9.158 15.003 -9.073 218 HA GLU 29 HA GLU 29 -9.047 12.804 -7.047 219 HB2 GLU 29 HB2 GLU 29 -6.593 13.602 -8.617 220 HB3 GLU 29 HB3 GLU 29 -6.805 12.294 -7.446 221 HG2 GLU 29 HG2 GLU 29 -7.110 10.922 -9.135 222 HG3 GLU 29 HG3 GLU 29 -8.705 11.622 -9.336 223 H GLU 30 H GLU 30 -7.960 13.120 -5.111 224 HA GLU 30 HA GLU 30 -7.236 15.915 -4.341 225 HB2 GLU 30 HB2 GLU 30 -8.895 14.152 -2.529 226 HB3 GLU 30 HB3 GLU 30 -8.669 15.900 -2.500 227 HG2 GLU 30 HG2 GLU 30 -10.057 16.020 -4.621 228 HG3 GLU 30 HG3 GLU 30 -10.316 14.267 -4.468 229 H GLN 31 H GLN 31 -5.579 16.027 -2.807 230 HA GLN 31 HA GLN 31 -4.469 13.403 -1.836 231 HB2 GLN 31 HB2 GLN 31 -2.994 16.005 -2.323 232 HB3 GLN 31 HB3 GLN 31 -2.334 14.583 -1.500 233 HG2 GLN 31 HG2 GLN 31 -3.026 13.256 -3.597 234 HG3 GLN 31 HG3 GLN 31 -3.062 14.838 -4.419 235 HE21 GLN 31 HE22 GLN 31 -1.282 12.294 -3.168 236 HE22 GLN 31 HE21 GLN 31 -0.102 13.279 -2.414 237 H VAL 32 H VAL 32 -4.388 12.912 0.197 238 HA VAL 32 HA VAL 32 -4.797 14.990 2.297 239 HB VAL 32 HB VAL 32 -6.391 13.627 3.442 240 HG11 VAL 32 HG11 VAL 32 -7.317 13.748 0.544 241 HG12 VAL 32 HG12 VAL 32 -8.319 13.738 2.001 242 HG13 VAL 32 HG13 VAL 32 -7.281 15.134 1.661 243 HG21 VAL 32 HG21 VAL 32 -7.327 11.564 2.611 244 HG22 VAL 32 HG22 VAL 32 -6.284 11.600 1.172 245 HG23 VAL 32 HG23 VAL 32 -5.587 11.356 2.787 246 H ASP 33 H ASP 33 -4.538 13.897 4.488 247 HA ASP 33 HA ASP 33 -1.954 12.451 4.611 248 HB2 ASP 33 HB2 ASP 33 -2.264 14.308 6.091 249 HB3 ASP 33 HB3 ASP 33 -3.725 13.604 6.773 250 H VAL 34 H VAL 34 -1.666 10.428 5.291 251 HA VAL 34 HA VAL 34 -3.672 8.530 4.798 252 HB VAL 34 HB VAL 34 -1.213 8.234 4.608 253 HG11 VAL 34 HG11 VAL 34 -1.359 7.440 7.535 254 HG12 VAL 34 HG12 VAL 34 0.047 7.321 6.481 255 HG13 VAL 34 HG13 VAL 34 -0.600 8.925 6.927 256 HG21 VAL 34 HG21 VAL 34 -1.221 5.857 4.857 257 HG22 VAL 34 HG22 VAL 34 -2.594 5.904 5.968 258 HG23 VAL 34 HG23 VAL 34 -2.808 6.372 4.266 259 H GLU 35 H GLU 35 -3.485 10.292 7.725 260 HA GLU 35 HA GLU 35 -5.051 8.291 9.265 261 HB2 GLU 35 HB2 GLU 35 -3.442 10.001 10.256 262 HB3 GLU 35 HB3 GLU 35 -4.627 11.240 9.796 263 HG2 GLU 35 HG2 GLU 35 -6.316 9.958 11.207 264 HG3 GLU 35 HG3 GLU 35 -4.955 9.009 11.815 265 H LEU 36 H LEU 36 -5.651 10.967 7.020 266 HA LEU 36 HA LEU 36 -8.364 11.495 8.020 267 HB2 LEU 36 HB2 LEU 36 -6.752 12.774 5.779 268 HB3 LEU 36 HB3 LEU 36 -8.242 13.396 6.479 269 HG LEU 36 HG LEU 36 -5.561 13.157 7.913 270 HD11 LEU 36 HD11 LEU 36 -7.136 15.581 6.953 271 HD12 LEU 36 HD12 LEU 36 -5.591 15.612 7.832 272 HD13 LEU 36 HD13 LEU 36 -5.664 14.945 6.193 273 HD21 LEU 36 HD21 LEU 36 -7.372 12.890 9.530 274 HD22 LEU 36 HD22 LEU 36 -6.607 14.469 9.699 275 HD23 LEU 36 HD23 LEU 36 -8.186 14.340 8.885 276 H VAL 37 H VAL 37 -6.904 9.683 5.457 277 HA VAL 37 HA VAL 37 -9.090 9.756 3.569 278 HB VAL 37 HB VAL 37 -6.946 9.165 2.773 279 HG11 VAL 37 HG11 VAL 37 -6.960 6.649 4.507 280 HG12 VAL 37 HG12 VAL 37 -5.722 7.134 3.349 281 HG13 VAL 37 HG13 VAL 37 -5.962 8.090 4.808 282 HG21 VAL 37 HG21 VAL 37 -8.839 8.105 1.623 283 HG22 VAL 37 HG22 VAL 37 -7.355 7.133 1.546 284 HG23 VAL 37 HG23 VAL 37 -8.661 6.659 2.641 285 H GLN 38 H GLN 38 -8.313 7.349 6.186 286 HA GLN 38 HA GLN 38 -9.439 5.816 7.189 287 HB2 GLN 38 HB2 GLN 38 -11.910 7.405 6.500 288 HB3 GLN 38 HB3 GLN 38 -11.767 6.171 7.749 289 HG2 GLN 38 HG2 GLN 38 -10.096 7.517 8.960 290 HG3 GLN 38 HG3 GLN 38 -10.143 8.773 7.709 291 HE21 GLN 38 HE22 GLN 38 -12.531 9.586 7.287 292 HE22 GLN 38 HE21 GLN 38 -13.480 9.595 8.769 293 H ARG 39 H ARG 39 -11.076 4.129 7.177 294 HA ARG 39 HA ARG 39 -10.455 2.519 4.874 295 HB2 ARG 39 HB2 ARG 39 -11.235 0.678 6.211 296 HB3 ARG 39 HB3 ARG 39 -10.244 1.769 7.176 297 HG2 ARG 39 HG2 ARG 39 -12.585 2.778 7.908 298 HG3 ARG 39 HG3 ARG 39 -13.225 1.251 7.277 299 HD2 ARG 39 HD2 ARG 39 -11.693 0.001 8.780 300 HD3 ARG 39 HD3 ARG 39 -11.045 1.525 9.391 301 HE ARG 39 HE ARG 39 -13.717 0.329 9.919 302 HH11 ARG 39 HH11 ARG 39 -11.546 3.005 10.683 303 HH12 ARG 39 HH12 ARG 39 -12.505 3.420 12.098 304 HH21 ARG 39 HH21 ARG 39 -14.897 1.121 11.708 305 HH22 ARG 39 HH22 ARG 39 -14.183 2.443 12.631 306 H GLY 40 H GLY 40 -12.398 4.549 4.189 307 HA2 GLY 40 HA2 GLY 40 -14.620 2.807 3.120 308 HA3 GLY 40 HA3 GLY 40 -14.879 4.438 3.708 309 H ASP 41 H ASP 41 -12.060 4.845 2.071 310 HA ASP 41 HA ASP 41 -13.499 5.682 -0.411 311 HB2 ASP 41 HB2 ASP 41 -11.271 6.857 1.213 312 HB3 ASP 41 HB3 ASP 41 -11.236 7.121 -0.519 313 H ILE 42 H ILE 42 -11.971 6.024 -2.344 314 HA ILE 42 HA ILE 42 -10.440 3.519 -2.903 315 HB ILE 42 HB ILE 42 -12.382 5.050 -4.676 316 HG12 ILE 42 HG12 ILE 42 -12.476 2.231 -3.500 317 HG13 ILE 42 HG13 ILE 42 -13.506 3.588 -3.046 318 HG21 ILE 42 HG21 ILE 42 -10.454 4.293 -6.002 319 HG22 ILE 42 HG22 ILE 42 -10.645 2.640 -5.358 320 HG23 ILE 42 HG23 ILE 42 -11.880 3.374 -6.412 321 HD11 ILE 42 HD11 ILE 42 -13.563 2.054 -5.662 322 HD12 ILE 42 HD12 ILE 42 -14.823 2.189 -4.431 323 HD13 ILE 42 HD13 ILE 42 -14.412 3.602 -5.418 324 H ILE 43 H ILE 43 -8.401 3.791 -3.635 325 HA ILE 43 HA ILE 43 -7.404 6.462 -4.388 326 HB ILE 43 HB ILE 43 -6.082 4.004 -3.166 327 HG12 ILE 43 HG12 ILE 43 -7.686 4.694 -1.563 328 HG13 ILE 43 HG13 ILE 43 -6.090 5.124 -0.991 329 HG21 ILE 43 HG21 ILE 43 -5.006 6.840 -3.256 330 HG22 ILE 43 HG22 ILE 43 -4.233 5.433 -2.516 331 HG23 ILE 43 HG23 ILE 43 -4.456 5.494 -4.265 332 HD11 ILE 43 HD11 ILE 43 -7.985 7.123 -2.287 333 HD12 ILE 43 HD12 ILE 43 -7.923 6.818 -0.567 334 HD13 ILE 43 HD13 ILE 43 -6.490 7.480 -1.398 335 H LYS 44 H LYS 44 -6.741 6.667 -6.505 336 HA LYS 44 HA LYS 44 -5.948 4.230 -7.991 337 HB2 LYS 44 HB2 LYS 44 -7.635 6.058 -8.815 338 HB3 LYS 44 HB3 LYS 44 -6.173 6.912 -9.343 339 HG2 LYS 44 HG2 LYS 44 -5.460 4.834 -10.566 340 HG3 LYS 44 HG3 LYS 44 -6.890 4.014 -9.941 341 HD2 LYS 44 HD2 LYS 44 -8.188 5.975 -11.227 342 HD3 LYS 44 HD3 LYS 44 -6.666 6.006 -12.163 343 HE2 LYS 44 HE2 LYS 44 -6.882 3.439 -12.259 344 HE3 LYS 44 HE3 LYS 44 -8.486 3.634 -11.579 345 HZ1 LYS 44 HZ1 LYS 44 -8.568 3.439 -13.971 346 HZ2 LYS 44 HZ2 LYS 44 -9.143 4.886 -13.539 347 HZ3 LYS 44 HZ3 LYS 44 -7.624 4.783 -14.184 348 H VAL 45 H VAL 45 -3.950 3.641 -8.404 349 HA VAL 45 HA VAL 45 -1.720 5.458 -7.630 350 HB VAL 45 HB VAL 45 -2.141 3.236 -6.488 351 HG11 VAL 45 HG11 VAL 45 -0.845 2.060 -8.983 352 HG12 VAL 45 HG12 VAL 45 -1.306 1.209 -7.501 353 HG13 VAL 45 HG13 VAL 45 -2.558 1.921 -8.540 354 HG21 VAL 45 HG21 VAL 45 0.024 4.435 -6.278 355 HG22 VAL 45 HG22 VAL 45 0.234 2.674 -6.279 356 HG23 VAL 45 HG23 VAL 45 0.623 3.607 -7.735 357 H VAL 46 H VAL 46 -0.003 5.949 -8.946 358 HA VAL 46 HA VAL 46 -0.416 5.569 -11.817 359 HB VAL 46 HB VAL 46 1.208 7.255 -12.168 360 HG11 VAL 46 HG11 VAL 46 0.297 9.116 -10.969 361 HG12 VAL 46 HG12 VAL 46 -1.012 7.976 -11.313 362 HG13 VAL 46 HG13 VAL 46 -0.323 8.077 -9.683 363 HG21 VAL 46 HG21 VAL 46 2.484 8.314 -10.291 364 HG22 VAL 46 HG22 VAL 46 2.034 6.930 -9.270 365 HG23 VAL 46 HG23 VAL 46 3.024 6.688 -10.709 366 HA PRO 47 HA PRO 47 2.819 2.601 -12.721 367 HB2 PRO 47 HB2 PRO 47 3.926 4.532 -14.747 368 HB3 PRO 47 HB3 PRO 47 3.512 2.803 -14.949 369 HG2 PRO 47 HG2 PRO 47 1.888 4.749 -15.923 370 HG3 PRO 47 HG3 PRO 47 1.186 3.307 -15.121 371 HD2 PRO 47 HD2 PRO 47 1.671 6.057 -13.966 372 HD3 PRO 47 HD3 PRO 47 0.213 5.026 -13.839 373 H GLY 48 H GLY 48 4.837 2.231 -11.769 374 HA2 GLY 48 HA2 GLY 48 6.811 2.688 -10.656 375 HA3 GLY 48 HA3 GLY 48 6.753 4.351 -11.213 376 H GLY 49 H GLY 49 3.798 3.890 -9.682 377 HA2 GLY 49 HA2 GLY 49 4.539 5.480 -7.381 378 HA3 GLY 49 HA3 GLY 49 2.950 4.815 -7.747 379 H LYS 50 H LYS 50 3.520 4.881 -5.189 380 HA LYS 50 HA LYS 50 4.323 2.112 -4.338 381 HB2 LYS 50 HB2 LYS 50 4.793 4.813 -3.022 382 HB3 LYS 50 HB3 LYS 50 5.037 3.275 -2.194 383 HG2 LYS 50 HG2 LYS 50 6.895 2.689 -3.452 384 HG3 LYS 50 HG3 LYS 50 6.436 3.673 -4.841 385 HD2 LYS 50 HD2 LYS 50 6.992 5.731 -3.657 386 HD3 LYS 50 HD3 LYS 50 7.470 4.807 -2.215 387 HE2 LYS 50 HE2 LYS 50 9.330 3.803 -3.336 388 HE3 LYS 50 HE3 LYS 50 8.691 4.220 -4.926 389 HZ1 LYS 50 HZ1 LYS 50 9.756 6.224 -3.010 390 HZ2 LYS 50 HZ2 LYS 50 10.504 5.664 -4.373 391 HZ3 LYS 50 HZ3 LYS 50 9.139 6.538 -4.499 392 H PHE 51 H PHE 51 3.101 1.094 -2.753 393 HA PHE 51 HA PHE 51 0.315 1.998 -2.640 394 HB2 PHE 51 HB2 PHE 51 1.657 -0.532 -1.688 395 HB3 PHE 51 HB3 PHE 51 -0.059 -0.205 -1.501 396 HD1 PHE 51 HD1 PHE 51 -1.580 -0.116 -3.476 397 HD2 PHE 51 HD2 PHE 51 2.587 -1.111 -3.873 398 HE1 PHE 51 HE1 PHE 51 -1.998 -1.041 -5.747 399 HE2 PHE 51 HE2 PHE 51 2.177 -1.998 -6.133 400 HZ PHE 51 HZ PHE 51 -0.116 -1.969 -7.086 401 HA PRO 52 HA PRO 52 0.998 3.706 1.446 402 HB2 PRO 52 HB2 PRO 52 -1.291 5.096 1.811 403 HB3 PRO 52 HB3 PRO 52 -0.150 5.499 0.494 404 HG2 PRO 52 HG2 PRO 52 -2.665 3.813 0.308 405 HG3 PRO 52 HG3 PRO 52 -2.169 5.182 -0.737 406 HD2 PRO 52 HD2 PRO 52 -1.694 2.553 -1.403 407 HD3 PRO 52 HD3 PRO 52 -0.585 3.883 -1.859 408 H VAL 53 H VAL 53 -1.463 1.276 1.020 409 HA VAL 53 HA VAL 53 -1.604 0.629 3.850 410 HB VAL 53 HB VAL 53 -4.051 0.526 3.966 411 HG11 VAL 53 HG11 VAL 53 -3.101 3.378 3.519 412 HG12 VAL 53 HG12 VAL 53 -4.470 2.832 4.507 413 HG13 VAL 53 HG13 VAL 53 -2.816 2.422 4.989 414 HG21 VAL 53 HG21 VAL 53 -5.460 1.832 2.467 415 HG22 VAL 53 HG22 VAL 53 -4.051 2.266 1.474 416 HG23 VAL 53 HG23 VAL 53 -4.599 0.576 1.559 417 H ASP 54 H ASP 54 -2.871 -1.541 4.099 418 HA ASP 54 HA ASP 54 -2.528 -3.136 1.630 419 HB2 ASP 54 HB2 ASP 54 -2.635 -5.114 2.870 420 HB3 ASP 54 HB3 ASP 54 -1.473 -4.041 3.629 421 H GLY 55 H GLY 55 -4.124 -3.853 0.414 422 HA2 GLY 55 HA2 GLY 55 -6.949 -3.852 1.157 423 HA3 GLY 55 HA3 GLY 55 -6.478 -2.430 0.236 424 H ARG 56 H ARG 56 -8.144 -3.426 -1.210 425 HA ARG 56 HA ARG 56 -6.978 -5.533 -3.000 426 HB2 ARG 56 HB2 ARG 56 -8.950 -6.158 -1.597 427 HB3 ARG 56 HB3 ARG 56 -9.923 -5.021 -2.542 428 HG2 ARG 56 HG2 ARG 56 -9.468 -6.278 -4.593 429 HG3 ARG 56 HG3 ARG 56 -8.392 -7.375 -3.718 430 HD2 ARG 56 HD2 ARG 56 -11.352 -7.056 -3.121 431 HD3 ARG 56 HD3 ARG 56 -10.624 -8.288 -4.173 432 HE ARG 56 HE ARG 56 -9.954 -8.088 -1.248 433 HH11 ARG 56 HH11 ARG 56 -11.199 -10.103 -3.845 434 HH12 ARG 56 HH12 ARG 56 -10.816 -11.556 -2.972 435 HH21 ARG 56 HH21 ARG 56 -9.562 -9.935 -0.232 436 HH22 ARG 56 HH22 ARG 56 -9.714 -11.477 -1.067 437 H VAL 57 H VAL 57 -6.938 -5.380 -5.086 438 HA VAL 57 HA VAL 57 -7.182 -2.777 -6.444 439 HB VAL 57 HB VAL 57 -6.075 -5.480 -7.335 440 HG11 VAL 57 HG11 VAL 57 -5.974 -2.755 -8.691 441 HG12 VAL 57 HG12 VAL 57 -5.035 -4.188 -9.186 442 HG13 VAL 57 HG13 VAL 57 -6.785 -4.218 -9.292 443 HG21 VAL 57 HG21 VAL 57 -4.672 -4.447 -5.565 444 HG22 VAL 57 HG22 VAL 57 -3.856 -4.503 -7.127 445 HG23 VAL 57 HG23 VAL 57 -4.538 -2.973 -6.548 446 H ILE 58 H ILE 58 -8.901 -2.366 -7.758 447 HA ILE 58 HA ILE 58 -10.470 -4.607 -8.955 448 HB ILE 58 HB ILE 58 -12.585 -3.260 -8.278 449 HG12 ILE 58 HG12 ILE 58 -10.770 -2.359 -6.013 450 HG13 ILE 58 HG13 ILE 58 -11.113 -1.310 -7.405 451 HG21 ILE 58 HG21 ILE 58 -11.096 -4.756 -6.092 452 HG22 ILE 58 HG22 ILE 58 -12.846 -4.531 -6.252 453 HG23 ILE 58 HG23 ILE 58 -11.984 -5.515 -7.435 454 HD11 ILE 58 HD11 ILE 58 -13.538 -1.422 -6.921 455 HD12 ILE 58 HD12 ILE 58 -13.193 -2.374 -5.454 456 HD13 ILE 58 HD13 ILE 58 -12.599 -0.709 -5.598 457 H GLU 59 H GLU 59 -8.571 -2.675 -10.094 458 HA GLU 59 HA GLU 59 -9.950 -2.519 -12.575 459 HB2 GLU 59 HB2 GLU 59 -10.514 -0.193 -11.269 460 HB3 GLU 59 HB3 GLU 59 -8.913 0.204 -11.865 461 HG2 GLU 59 HG2 GLU 59 -9.932 -0.770 -14.163 462 HG3 GLU 59 HG3 GLU 59 -11.449 -0.306 -13.397 463 H GLY 60 H GLY 60 -8.342 -2.872 -14.124 464 HA2 GLY 60 HA2 GLY 60 -6.403 -2.260 -15.304 465 HA3 GLY 60 HA3 GLY 60 -5.806 -1.391 -13.903 466 H HIS 61 H HIS 61 -3.923 -2.493 -14.920 467 HA HIS 61 HA HIS 61 -3.289 -5.108 -13.646 468 HB2 HIS 61 HB2 HIS 61 -2.939 -4.529 -16.607 469 HB3 HIS 61 HB3 HIS 61 -2.527 -6.009 -15.770 470 HD1 HIS 61 HD1 HIS 61 -5.460 -4.171 -17.271 471 HD2 HIS 61 HD2 HIS 61 -4.663 -7.590 -14.974 472 HE1 HIS 61 HE1 HIS 61 -7.644 -5.529 -17.227 473 H SER 62 H SER 62 -1.343 -4.988 -12.706 474 HA SER 62 HA SER 62 0.915 -3.736 -14.038 475 HB2 SER 62 HB2 SER 62 -0.361 -2.080 -12.272 476 HB3 SER 62 HB3 SER 62 0.792 -2.850 -11.191 477 HG SER 62 HG SER 62 1.390 -0.903 -12.524 478 H MET 63 H MET 63 2.939 -4.150 -12.773 479 HA MET 63 HA MET 63 2.799 -6.681 -11.180 480 HB2 MET 63 HB2 MET 63 3.932 -6.962 -13.262 481 HB3 MET 63 HB3 MET 63 4.982 -5.576 -12.973 482 HG2 MET 63 HG2 MET 63 6.225 -6.650 -11.372 483 HG3 MET 63 HG3 MET 63 4.999 -7.882 -11.031 484 HE1 MET 63 HE1 MET 63 4.113 -9.296 -13.477 485 HE2 MET 63 HE2 MET 63 5.369 -10.519 -13.753 486 HE3 MET 63 HE3 MET 63 4.838 -10.162 -12.100 487 H VAL 64 H VAL 64 3.907 -6.845 -9.246 488 HA VAL 64 HA VAL 64 4.639 -4.262 -7.942 489 HB VAL 64 HB VAL 64 3.028 -6.566 -6.808 490 HG11 VAL 64 HG11 VAL 64 3.833 -3.897 -5.560 491 HG12 VAL 64 HG12 VAL 64 2.633 -5.021 -4.886 492 HG13 VAL 64 HG13 VAL 64 4.313 -5.523 -5.008 493 HG21 VAL 64 HG21 VAL 64 1.702 -5.247 -8.384 494 HG22 VAL 64 HG22 VAL 64 1.211 -4.824 -6.737 495 HG23 VAL 64 HG23 VAL 64 2.269 -3.734 -7.662 496 H ASP 65 H ASP 65 6.395 -4.112 -6.714 497 HA ASP 65 HA ASP 65 8.128 -6.516 -6.309 498 HB2 ASP 65 HB2 ASP 65 8.931 -4.492 -7.589 499 HB3 ASP 65 HB3 ASP 65 8.840 -3.566 -6.098 500 H GLU 66 H GLU 66 7.661 -7.506 -4.415 501 HA GLU 66 HA GLU 66 7.189 -5.878 -1.945 502 HB2 GLU 66 HB2 GLU 66 5.650 -7.604 -1.186 503 HB3 GLU 66 HB3 GLU 66 5.124 -6.800 -2.665 504 HG2 GLU 66 HG2 GLU 66 5.664 -8.686 -4.015 505 HG3 GLU 66 HG3 GLU 66 6.518 -9.491 -2.686 506 H SER 67 H SER 67 9.493 -7.665 -3.189 507 HA SER 67 HA SER 67 10.354 -9.677 -1.623 508 HB2 SER 67 HB2 SER 67 12.677 -9.145 -2.152 509 HB3 SER 67 HB3 SER 67 11.632 -8.888 -3.541 510 HG SER 67 HG SER 67 11.592 -6.622 -2.938 511 H LEU 68 H LEU 68 10.451 -6.365 -0.302 512 HA LEU 68 HA LEU 68 12.046 -7.238 2.012 513 HB2 LEU 68 HB2 LEU 68 12.172 -4.977 0.993 514 HB3 LEU 68 HB3 LEU 68 10.506 -4.665 1.425 515 HG LEU 68 HG LEU 68 12.150 -3.489 2.799 516 HD11 LEU 68 HD11 LEU 68 10.747 -5.403 4.673 517 HD12 LEU 68 HD12 LEU 68 11.164 -3.711 4.906 518 HD13 LEU 68 HD13 LEU 68 9.889 -4.145 3.752 519 HD21 LEU 68 HD21 LEU 68 13.936 -5.177 2.850 520 HD22 LEU 68 HD22 LEU 68 13.521 -4.574 4.465 521 HD23 LEU 68 HD23 LEU 68 12.957 -6.178 3.949 522 H ILE 69 H ILE 69 8.604 -6.718 1.336 523 HA ILE 69 HA ILE 69 7.834 -6.647 4.157 524 HB ILE 69 HB ILE 69 6.018 -7.058 1.746 525 HG12 ILE 69 HG12 ILE 69 7.387 -4.929 1.532 526 HG13 ILE 69 HG13 ILE 69 5.647 -4.794 1.474 527 HG21 ILE 69 HG21 ILE 69 4.860 -7.643 3.763 528 HG22 ILE 69 HG22 ILE 69 5.536 -6.262 4.649 529 HG23 ILE 69 HG23 ILE 69 4.333 -6.000 3.387 530 HD11 ILE 69 HD11 ILE 69 7.273 -4.200 3.970 531 HD12 ILE 69 HD12 ILE 69 6.691 -2.994 2.791 532 HD13 ILE 69 HD13 ILE 69 5.524 -3.946 3.715 533 H THR 70 H THR 70 7.037 -8.913 1.518 534 HA THR 70 HA THR 70 6.311 -11.083 3.371 535 HB THR 70 HB THR 70 5.695 -12.133 1.079 536 HG1 THR 70 HG1 THR 70 5.460 -10.468 -0.533 537 HG21 THR 70 HG21 THR 70 3.668 -10.827 0.851 538 HG22 THR 70 HG22 THR 70 4.005 -11.056 2.574 539 HG23 THR 70 HG23 THR 70 4.353 -9.489 1.796 540 H GLY 71 H GLY 71 9.109 -10.129 1.629 541 HA2 GLY 71 HA2 GLY 71 11.210 -11.180 1.625 542 HA3 GLY 71 HA3 GLY 71 10.512 -12.577 2.431 543 H GLU 72 H GLU 72 9.218 -11.239 -0.568 544 HA GLU 72 HA GLU 72 9.665 -13.694 -2.121 545 HB2 GLU 72 HB2 GLU 72 8.795 -10.897 -2.975 546 HB3 GLU 72 HB3 GLU 72 8.774 -12.320 -4.007 547 HG2 GLU 72 HG2 GLU 72 7.099 -11.816 -1.545 548 HG3 GLU 72 HG3 GLU 72 6.524 -11.908 -3.194 549 H ALA 73 H ALA 73 10.664 -13.097 -4.489 550 HA ALA 73 HA ALA 73 13.151 -11.557 -4.215 551 HB1 ALA 73 HB1 ALA 73 14.629 -13.422 -4.793 552 HB2 ALA 73 HB2 ALA 73 13.788 -13.701 -3.265 553 HB3 ALA 73 HB3 ALA 73 13.253 -14.548 -4.744 554 H MET 74 H MET 74 10.531 -12.106 -5.993 555 HA MET 74 HA MET 74 11.664 -10.829 -8.278 556 HB2 MET 74 HB2 MET 74 10.668 -12.353 -9.949 557 HB3 MET 74 HB3 MET 74 11.941 -13.138 -9.022 558 HG2 MET 74 HG2 MET 74 10.152 -14.205 -7.586 559 HG3 MET 74 HG3 MET 74 8.945 -13.476 -8.643 560 HE1 MET 74 HE1 MET 74 12.425 -15.391 -9.294 561 HE2 MET 74 HE2 MET 74 11.520 -16.323 -8.078 562 HE3 MET 74 HE3 MET 74 11.778 -16.989 -9.705 563 HA PRO 75 HA PRO 75 7.790 -8.907 -7.548 564 HB2 PRO 75 HB2 PRO 75 7.278 -7.479 -9.772 565 HB3 PRO 75 HB3 PRO 75 8.676 -7.153 -8.719 566 HG2 PRO 75 HG2 PRO 75 8.656 -8.791 -11.276 567 HG3 PRO 75 HG3 PRO 75 9.773 -7.464 -10.824 568 HD2 PRO 75 HD2 PRO 75 10.408 -10.093 -10.443 569 HD3 PRO 75 HD3 PRO 75 10.912 -8.832 -9.278 570 H VAL 76 H VAL 76 5.522 -8.772 -8.045 571 HA VAL 76 HA VAL 76 4.482 -11.316 -9.240 572 HB VAL 76 HB VAL 76 3.308 -9.805 -6.883 573 HG11 VAL 76 HG11 VAL 76 3.025 -12.691 -7.834 574 HG12 VAL 76 HG12 VAL 76 2.280 -12.007 -6.384 575 HG13 VAL 76 HG13 VAL 76 1.785 -11.417 -7.969 576 HG21 VAL 76 HG21 VAL 76 5.552 -10.464 -6.152 577 HG22 VAL 76 HG22 VAL 76 4.347 -11.496 -5.395 578 HG23 VAL 76 HG23 VAL 76 5.295 -12.115 -6.763 579 H ALA 77 H ALA 77 2.701 -11.286 -10.525 580 HA ALA 77 HA ALA 77 1.817 -8.737 -11.620 581 HB1 ALA 77 HB1 ALA 77 0.782 -11.554 -12.122 582 HB2 ALA 77 HB2 ALA 77 0.430 -10.122 -13.109 583 HB3 ALA 77 HB3 ALA 77 2.088 -10.744 -13.016 584 H LYS 78 H LYS 78 -0.168 -7.746 -11.585 585 HA LYS 78 HA LYS 78 -2.322 -8.738 -9.766 586 HB2 LYS 78 HB2 LYS 78 -1.417 -5.835 -10.086 587 HB3 LYS 78 HB3 LYS 78 -2.767 -6.378 -9.098 588 HG2 LYS 78 HG2 LYS 78 0.151 -7.061 -8.633 589 HG3 LYS 78 HG3 LYS 78 -0.769 -5.835 -7.762 590 HD2 LYS 78 HD2 LYS 78 -2.194 -7.445 -6.712 591 HD3 LYS 78 HD3 LYS 78 -1.629 -8.742 -7.772 592 HE2 LYS 78 HE2 LYS 78 0.644 -8.557 -6.798 593 HE3 LYS 78 HE3 LYS 78 0.027 -7.392 -5.617 594 HZ1 LYS 78 HZ1 LYS 78 -1.009 -10.158 -5.975 595 HZ2 LYS 78 HZ2 LYS 78 0.064 -9.704 -4.835 596 HZ3 LYS 78 HZ3 LYS 78 -1.467 -9.098 -4.779 597 H LYS 79 H LYS 79 -4.369 -7.998 -10.116 598 HA LYS 79 HA LYS 79 -5.300 -6.769 -12.590 599 HB2 LYS 79 HB2 LYS 79 -6.619 -8.734 -13.270 600 HB3 LYS 79 HB3 LYS 79 -4.904 -9.070 -13.340 601 HG2 LYS 79 HG2 LYS 79 -4.944 -10.553 -11.545 602 HG3 LYS 79 HG3 LYS 79 -6.419 -9.876 -10.854 603 HD2 LYS 79 HD2 LYS 79 -6.755 -12.101 -11.873 604 HD3 LYS 79 HD3 LYS 79 -7.799 -10.842 -12.531 605 HE2 LYS 79 HE2 LYS 79 -6.293 -10.626 -14.515 606 HE3 LYS 79 HE3 LYS 79 -5.267 -11.913 -13.864 607 HZ1 LYS 79 HZ1 LYS 79 -8.120 -12.204 -14.632 608 HZ2 LYS 79 HZ2 LYS 79 -6.835 -12.771 -15.489 609 HZ3 LYS 79 HZ3 LYS 79 -7.174 -13.404 -14.008 610 HA PRO 80 HA PRO 80 -8.799 -5.967 -9.888 611 HB2 PRO 80 HB2 PRO 80 -10.718 -7.411 -11.707 612 HB3 PRO 80 HB3 PRO 80 -10.887 -5.801 -10.937 613 HG2 PRO 80 HG2 PRO 80 -10.193 -5.979 -13.497 614 HG3 PRO 80 HG3 PRO 80 -9.282 -4.839 -12.453 615 HD2 PRO 80 HD2 PRO 80 -8.506 -7.649 -13.293 616 HD3 PRO 80 HD3 PRO 80 -7.509 -6.163 -13.348 617 H GLY 81 H GLY 81 -9.936 -6.793 -8.262 618 HA2 GLY 81 HA2 GLY 81 -10.632 -8.281 -6.622 619 HA3 GLY 81 HA3 GLY 81 -10.582 -9.607 -7.787 620 H SER 82 H SER 82 -7.686 -7.601 -7.285 621 HA SER 82 HA SER 82 -6.322 -10.006 -6.080 622 HB2 SER 82 HB2 SER 82 -5.584 -9.318 -8.407 623 HB3 SER 82 HB3 SER 82 -5.026 -7.791 -7.687 624 HG SER 82 HG SER 82 -4.017 -10.378 -7.478 625 H THR 83 H THR 83 -4.544 -9.511 -4.410 626 HA THR 83 HA THR 83 -5.306 -7.049 -2.908 627 HB THR 83 HB THR 83 -4.887 -8.458 -0.865 628 HG1 THR 83 HG1 THR 83 -5.361 -10.738 -1.345 629 HG21 THR 83 HG21 THR 83 -7.217 -9.275 -2.681 630 HG22 THR 83 HG22 THR 83 -7.135 -9.423 -0.911 631 HG23 THR 83 HG23 THR 83 -7.154 -7.830 -1.657 632 H VAL 84 H VAL 84 -3.832 -5.958 -1.718 633 HA VAL 84 HA VAL 84 -0.945 -6.425 -2.348 634 HB VAL 84 HB VAL 84 -0.732 -3.994 -2.825 635 HG11 VAL 84 HG11 VAL 84 -2.518 -5.531 -4.750 636 HG12 VAL 84 HG12 VAL 84 -1.488 -4.134 -5.138 637 HG13 VAL 84 HG13 VAL 84 -0.748 -5.653 -4.619 638 HG21 VAL 84 HG21 VAL 84 -2.665 -2.688 -3.517 639 HG22 VAL 84 HG22 VAL 84 -3.769 -4.015 -3.120 640 HG23 VAL 84 HG23 VAL 84 -2.867 -3.184 -1.832 641 H ILE 85 H ILE 85 0.550 -5.283 -1.068 642 HA ILE 85 HA ILE 85 -0.413 -4.426 1.615 643 HB ILE 85 HB ILE 85 1.639 -5.065 2.598 644 HG12 ILE 85 HG12 ILE 85 3.341 -4.729 1.012 645 HG13 ILE 85 HG13 ILE 85 3.365 -6.427 1.463 646 HG21 ILE 85 HG21 ILE 85 0.637 -7.435 1.014 647 HG22 ILE 85 HG22 ILE 85 1.512 -7.436 2.563 648 HG23 ILE 85 HG23 ILE 85 -0.121 -6.747 2.469 649 HD11 ILE 85 HD11 ILE 85 2.356 -5.284 -1.147 650 HD12 ILE 85 HD12 ILE 85 3.812 -6.229 -0.854 651 HD13 ILE 85 HD13 ILE 85 2.228 -7.004 -0.678 652 H ALA 86 H ALA 86 0.659 -2.744 2.687 653 HA ALA 86 HA ALA 86 1.369 -0.540 1.035 654 HB1 ALA 86 HB1 ALA 86 1.828 -0.919 4.033 655 HB2 ALA 86 HB2 ALA 86 1.742 0.630 3.165 656 HB3 ALA 86 HB3 ALA 86 0.300 -0.391 3.311 657 H GLY 87 H GLY 87 3.296 0.553 0.759 658 HA2 GLY 87 HA2 GLY 87 5.585 1.002 0.842 659 HA3 GLY 87 HA3 GLY 87 5.827 -0.380 1.908 660 H SER 88 H SER 88 4.156 -1.675 -0.605 661 HA SER 88 HA SER 88 6.528 -2.649 -2.055 662 HB2 SER 88 HB2 SER 88 4.992 -4.117 -3.205 663 HB3 SER 88 HB3 SER 88 4.728 -4.225 -1.469 664 HG SER 88 HG SER 88 2.800 -3.157 -1.680 665 H ILE 89 H ILE 89 6.637 -2.511 -4.385 666 HA ILE 89 HA ILE 89 5.854 0.227 -5.277 667 HB ILE 89 HB ILE 89 8.096 -1.212 -6.608 668 HG12 ILE 89 HG12 ILE 89 8.693 -1.748 -4.321 669 HG13 ILE 89 HG13 ILE 89 9.785 -0.582 -5.029 670 HG21 ILE 89 HG21 ILE 89 7.675 1.669 -5.703 671 HG22 ILE 89 HG22 ILE 89 8.999 1.067 -6.721 672 HG23 ILE 89 HG23 ILE 89 7.325 1.030 -7.309 673 HD11 ILE 89 HD11 ILE 89 7.544 0.211 -3.116 674 HD12 ILE 89 HD12 ILE 89 9.208 -0.141 -2.643 675 HD13 ILE 89 HD13 ILE 89 8.855 1.230 -3.715 676 H ASN 90 H ASN 90 4.679 0.588 -7.052 677 HA ASN 90 HA ASN 90 3.593 -1.660 -8.602 678 HB2 ASN 90 HB2 ASN 90 2.196 0.195 -7.564 679 HB3 ASN 90 HB3 ASN 90 3.000 1.339 -8.632 680 HD21 ASN 90 HD22 ASN 90 1.796 1.794 -10.423 681 HD22 ASN 90 HD21 ASN 90 0.645 0.679 -11.128 682 H GLN 91 H GLN 91 3.944 -2.030 -10.789 683 HA GLN 91 HA GLN 91 6.192 -0.566 -11.999 684 HB2 GLN 91 HB2 GLN 91 6.144 -3.079 -11.505 685 HB3 GLN 91 HB3 GLN 91 5.114 -3.221 -12.919 686 HG2 GLN 91 HG2 GLN 91 7.357 -3.669 -13.617 687 HG3 GLN 91 HG3 GLN 91 7.018 -2.052 -14.226 688 HE21 GLN 91 HE22 GLN 91 8.296 -0.291 -13.404 689 HE22 GLN 91 HE21 GLN 91 9.577 -0.549 -12.224 690 H ASN 92 H ASN 92 4.507 -2.182 -14.547 691 HA ASN 92 HA ASN 92 4.343 0.501 -15.753 692 HB2 ASN 92 HB2 ASN 92 5.881 -1.288 -16.619 693 HB3 ASN 92 HB3 ASN 92 4.465 -2.210 -17.113 694 HD21 ASN 92 HD22 ASN 92 2.956 -1.051 -18.583 695 HD22 ASN 92 HD21 ASN 92 3.568 0.184 -19.666 696 H GLY 93 H GLY 93 2.271 0.425 -14.282 697 HA2 GLY 93 HA2 GLY 93 0.287 1.271 -16.100 698 HA3 GLY 93 HA3 GLY 93 -0.143 -0.385 -15.721 699 H SER 94 H SER 94 -1.792 1.803 -15.263 700 HA SER 94 HA SER 94 -1.601 2.528 -12.410 701 HB2 SER 94 HB2 SER 94 -1.973 4.279 -14.120 702 HB3 SER 94 HB3 SER 94 -3.530 3.537 -14.529 703 HG SER 94 HG SER 94 -2.864 4.274 -11.857 704 H LEU 95 H LEU 95 -2.891 1.842 -10.842 705 HA LEU 95 HA LEU 95 -5.146 -0.049 -11.445 706 HB2 LEU 95 HB2 LEU 95 -3.086 -0.030 -9.227 707 HB3 LEU 95 HB3 LEU 95 -4.442 -1.131 -9.278 708 HG LEU 95 HG LEU 95 -2.064 -1.019 -11.182 709 HD11 LEU 95 HD11 LEU 95 -1.420 -3.121 -10.053 710 HD12 LEU 95 HD12 LEU 95 -1.491 -1.770 -8.916 711 HD13 LEU 95 HD13 LEU 95 -2.809 -2.968 -8.952 712 HD21 LEU 95 HD21 LEU 95 -4.493 -2.847 -10.996 713 HD22 LEU 95 HD22 LEU 95 -3.963 -1.829 -12.344 714 HD23 LEU 95 HD23 LEU 95 -3.014 -3.261 -11.874 715 H LEU 96 H LEU 96 -6.847 -0.133 -10.000 716 HA LEU 96 HA LEU 96 -7.258 2.298 -8.289 717 HB2 LEU 96 HB2 LEU 96 -8.758 1.828 -10.330 718 HB3 LEU 96 HB3 LEU 96 -9.331 0.415 -9.437 719 HG LEU 96 HG LEU 96 -10.048 2.006 -7.592 720 HD11 LEU 96 HD11 LEU 96 -8.727 3.980 -8.145 721 HD12 LEU 96 HD12 LEU 96 -9.403 4.027 -9.794 722 HD13 LEU 96 HD13 LEU 96 -10.429 4.387 -8.401 723 HD21 LEU 96 HD21 LEU 96 -11.291 2.323 -10.358 724 HD22 LEU 96 HD22 LEU 96 -11.647 1.036 -9.186 725 HD23 LEU 96 HD23 LEU 96 -12.090 2.710 -8.822 726 H ILE 97 H ILE 97 -7.026 1.910 -6.139 727 HA ILE 97 HA ILE 97 -7.605 -0.831 -5.106 728 HB ILE 97 HB ILE 97 -5.681 1.220 -3.958 729 HG12 ILE 97 HG12 ILE 97 -4.077 -0.819 -4.794 730 HG13 ILE 97 HG13 ILE 97 -5.317 -0.930 -6.033 731 HG21 ILE 97 HG21 ILE 97 -6.075 -1.749 -3.360 732 HG22 ILE 97 HG22 ILE 97 -4.850 -0.691 -2.638 733 HG23 ILE 97 HG23 ILE 97 -6.555 -0.406 -2.297 734 HD11 ILE 97 HD11 ILE 97 -3.617 1.509 -5.350 735 HD12 ILE 97 HD12 ILE 97 -3.478 0.467 -6.781 736 HD13 ILE 97 HD13 ILE 97 -4.890 1.507 -6.587 737 H CYS 98 H CYS 98 -9.097 -1.114 -3.579 738 HA CYS 98 HA CYS 98 -10.489 1.239 -2.427 739 HB2 CYS 98 HB2 CYS 98 -12.073 -0.379 -1.520 740 HB3 CYS 98 HB3 CYS 98 -11.916 -0.520 -3.269 741 HG CYS 98 HG CYS 98 -10.169 -2.560 -3.156 742 H ALA 99 H ALA 99 -9.993 2.101 -0.439 743 HA ALA 99 HA ALA 99 -8.024 0.734 1.224 744 HB1 ALA 99 HB1 ALA 99 -9.433 3.417 1.503 745 HB2 ALA 99 HB2 ALA 99 -8.075 2.834 2.490 746 HB3 ALA 99 HB3 ALA 99 -7.843 3.137 0.755 747 H THR 100 H THR 100 -8.548 -0.612 2.721 748 HA THR 100 HA THR 100 -11.186 -0.602 4.138 749 HB THR 100 HB THR 100 -10.685 -3.139 4.142 750 HG1 THR 100 HG1 THR 100 -9.158 -3.754 2.530 751 HG21 THR 100 HG21 THR 100 -10.922 -1.929 1.353 752 HG22 THR 100 HG22 THR 100 -11.549 -3.486 1.943 753 HG23 THR 100 HG23 THR 100 -12.267 -1.978 2.517 754 H HIS 101 H HIS 101 -7.940 -0.133 4.747 755 HA HIS 101 HA HIS 101 -8.180 -0.692 7.624 756 HB2 HIS 101 HB2 HIS 101 -5.799 -1.619 5.962 757 HB3 HIS 101 HB3 HIS 101 -6.075 -1.891 7.673 758 HD1 HIS 101 HD1 HIS 101 -6.809 -3.335 4.290 759 HD2 HIS 101 HD2 HIS 101 -7.930 -3.873 8.309 760 HE1 HIS 101 HE1 HIS 101 -8.076 -5.555 4.385 761 H VAL 102 H VAL 102 -6.785 0.714 8.831 762 HA VAL 102 HA VAL 102 -5.194 2.733 7.263 763 HB VAL 102 HB VAL 102 -5.291 4.210 9.217 764 HG11 VAL 102 HG11 VAL 102 -6.814 4.504 7.317 765 HG12 VAL 102 HG12 VAL 102 -8.015 3.454 8.104 766 HG13 VAL 102 HG13 VAL 102 -7.560 5.004 8.847 767 HG21 VAL 102 HG21 VAL 102 -6.866 3.912 11.002 768 HG22 VAL 102 HG22 VAL 102 -7.471 2.401 10.306 769 HG23 VAL 102 HG23 VAL 102 -5.822 2.482 10.970 770 H GLY 103 H GLY 103 -3.259 3.662 8.793 771 HA2 GLY 103 HA2 GLY 103 -1.290 1.743 8.462 772 HA3 GLY 103 HA3 GLY 103 -1.154 3.188 9.453 773 H ALA 104 H ALA 104 -3.022 2.501 11.517 774 HA ALA 104 HA ALA 104 -1.496 0.948 13.287 775 HB1 ALA 104 HB1 ALA 104 -4.486 1.551 13.338 776 HB2 ALA 104 HB2 ALA 104 -3.489 1.068 14.727 777 HB3 ALA 104 HB3 ALA 104 -3.192 2.622 13.927 778 H ASP 105 H ASP 105 -3.992 -0.266 11.005 779 HA ASP 105 HA ASP 105 -4.023 -2.952 12.212 780 HB2 ASP 105 HB2 ASP 105 -6.006 -2.044 11.138 781 HB3 ASP 105 HB3 ASP 105 -5.137 -2.002 9.599 782 H THR 106 H THR 106 -1.681 -1.342 10.235 783 HA THR 106 HA THR 106 -1.301 -3.463 8.303 784 HB THR 106 HB THR 106 0.778 -2.370 7.657 785 HG1 THR 106 HG1 THR 106 0.224 -0.484 9.677 786 HG21 THR 106 HG21 THR 106 -0.136 -0.156 6.993 787 HG22 THR 106 HG22 THR 106 -1.224 -1.514 6.640 788 HG23 THR 106 HG23 THR 106 -1.557 -0.461 8.023 789 H THR 107 H THR 107 0.199 -5.069 8.105 790 HA THR 107 HA THR 107 1.375 -6.204 10.486 791 HB THR 107 HB THR 107 0.755 -7.466 8.396 792 HG1 THR 107 HG1 THR 107 3.130 -8.517 8.696 793 HG21 THR 107 HG21 THR 107 1.986 -6.092 6.721 794 HG22 THR 107 HG22 THR 107 3.524 -6.679 7.408 795 HG23 THR 107 HG23 THR 107 2.377 -7.809 6.661 796 H LEU 108 H LEU 108 2.607 -3.960 8.035 797 HA LEU 108 HA LEU 108 5.348 -3.889 8.641 798 HB2 LEU 108 HB2 LEU 108 3.397 -1.636 7.923 799 HB3 LEU 108 HB3 LEU 108 5.127 -1.415 8.067 800 HG LEU 108 HG LEU 108 5.465 -3.068 6.181 801 HD11 LEU 108 HD11 LEU 108 2.447 -2.761 5.900 802 HD12 LEU 108 HD12 LEU 108 3.535 -3.291 4.604 803 HD13 LEU 108 HD13 LEU 108 3.381 -4.278 6.057 804 HD21 LEU 108 HD21 LEU 108 5.543 -0.618 5.964 805 HD22 LEU 108 HD22 LEU 108 4.863 -1.362 4.507 806 HD23 LEU 108 HD23 LEU 108 3.781 -0.589 5.695 807 H SER 109 H SER 109 2.756 -1.932 10.145 808 HA SER 109 HA SER 109 4.470 -0.780 12.182 809 HB2 SER 109 HB2 SER 109 1.442 -0.877 11.929 810 HB3 SER 109 HB3 SER 109 2.346 0.045 13.145 811 HG SER 109 HG SER 109 2.136 0.460 10.372 812 H GLN 110 H GLN 110 2.540 -3.694 11.942 813 HA GLN 110 HA GLN 110 2.378 -4.207 14.772 814 HB2 GLN 110 HB2 GLN 110 0.987 -5.222 12.805 815 HB3 GLN 110 HB3 GLN 110 2.299 -6.373 12.651 816 HG2 GLN 110 HG2 GLN 110 0.685 -7.385 14.022 817 HG3 GLN 110 HG3 GLN 110 1.976 -6.913 15.133 818 HE21 GLN 110 HE22 GLN 110 -1.173 -5.759 13.780 819 HE22 GLN 110 HE21 GLN 110 -1.445 -4.617 15.084 820 H ILE 111 H ILE 111 4.612 -5.309 12.274 821 HA ILE 111 HA ILE 111 6.279 -7.039 13.793 822 HB ILE 111 HB ILE 111 6.923 -5.204 11.453 823 HG12 ILE 111 HG12 ILE 111 6.675 -8.239 11.398 824 HG13 ILE 111 HG13 ILE 111 5.253 -7.225 11.256 825 HG21 ILE 111 HG21 ILE 111 8.658 -7.413 12.655 826 HG22 ILE 111 HG22 ILE 111 8.963 -6.628 11.095 827 HG23 ILE 111 HG23 ILE 111 9.058 -5.684 12.572 828 HD11 ILE 111 HD11 ILE 111 6.011 -7.811 9.040 829 HD12 ILE 111 HD12 ILE 111 6.243 -6.070 9.281 830 HD13 ILE 111 HD13 ILE 111 7.633 -7.180 9.357 831 H VAL 112 H VAL 112 6.808 -3.521 13.192 832 HA VAL 112 HA VAL 112 9.038 -3.377 14.947 833 HB VAL 112 HB VAL 112 8.869 -0.949 14.794 834 HG11 VAL 112 HG11 VAL 112 8.334 -2.326 12.126 835 HG12 VAL 112 HG12 VAL 112 9.123 -0.755 12.371 836 HG13 VAL 112 HG13 VAL 112 9.906 -2.230 12.950 837 HG21 VAL 112 HG21 VAL 112 6.394 -0.673 14.842 838 HG22 VAL 112 HG22 VAL 112 7.139 0.132 13.460 839 HG23 VAL 112 HG23 VAL 112 6.304 -1.412 13.225 840 H LYS 113 H LYS 113 5.639 -3.218 15.778 841 HA LYS 113 HA LYS 113 6.125 -2.284 18.515 842 HB2 LYS 113 HB2 LYS 113 3.765 -3.624 17.186 843 HB3 LYS 113 HB3 LYS 113 3.810 -3.228 18.909 844 HG2 LYS 113 HG2 LYS 113 4.205 -0.849 18.409 845 HG3 LYS 113 HG3 LYS 113 4.160 -1.179 16.675 846 HD2 LYS 113 HD2 LYS 113 1.851 -1.683 18.607 847 HD3 LYS 113 HD3 LYS 113 2.012 -0.259 17.556 848 HE2 LYS 113 HE2 LYS 113 2.054 -1.722 15.569 849 HE3 LYS 113 HE3 LYS 113 1.913 -3.148 16.600 850 HZ1 LYS 113 HZ1 LYS 113 -0.262 -2.436 17.284 851 HZ2 LYS 113 HZ2 LYS 113 -0.139 -1.002 16.478 852 HZ3 LYS 113 HZ3 LYS 113 -0.229 -2.421 15.646 853 H LEU 114 H LEU 114 5.551 -5.533 17.036 854 HA LEU 114 HA LEU 114 5.610 -6.949 19.493 855 HB2 LEU 114 HB2 LEU 114 5.941 -7.607 16.551 856 HB3 LEU 114 HB3 LEU 114 6.203 -8.863 17.753 857 HG LEU 114 HG LEU 114 3.661 -7.261 17.382 858 HD11 LEU 114 HD11 LEU 114 4.320 -10.134 16.615 859 HD12 LEU 114 HD12 LEU 114 2.737 -9.348 16.443 860 HD13 LEU 114 HD13 LEU 114 4.114 -8.770 15.492 861 HD21 LEU 114 HD21 LEU 114 3.789 -8.050 19.695 862 HD22 LEU 114 HD22 LEU 114 2.671 -9.107 18.833 863 HD23 LEU 114 HD23 LEU 114 4.332 -9.656 19.164 864 H VAL 115 H VAL 115 8.189 -6.277 17.180 865 HA VAL 115 HA VAL 115 10.214 -7.848 18.569 866 HB VAL 115 HB VAL 115 10.537 -5.606 16.540 867 HG11 VAL 115 HG11 VAL 115 12.591 -7.594 17.622 868 HG12 VAL 115 HG12 VAL 115 12.832 -6.542 16.213 869 HG13 VAL 115 HG13 VAL 115 12.633 -5.825 17.811 870 HG21 VAL 115 HG21 VAL 115 10.698 -8.644 16.264 871 HG22 VAL 115 HG22 VAL 115 9.388 -7.622 15.646 872 HG23 VAL 115 HG23 VAL 115 11.012 -7.465 14.970 873 H GLU 116 H GLU 116 9.794 -4.268 18.438 874 HA GLU 116 HA GLU 116 11.579 -3.551 20.380 875 HB2 GLU 116 HB2 GLU 116 10.063 -2.092 18.943 876 HB3 GLU 116 HB3 GLU 116 8.797 -2.348 20.135 877 HG2 GLU 116 HG2 GLU 116 11.014 -1.458 21.658 878 HG3 GLU 116 HG3 GLU 116 11.131 -0.547 20.156 879 H GLU 117 H GLU 117 8.358 -4.921 21.097 880 HA GLU 117 HA GLU 117 8.530 -4.416 23.984 881 HB2 GLU 117 HB2 GLU 117 6.644 -6.000 22.213 882 HB3 GLU 117 HB3 GLU 117 6.421 -5.805 23.950 883 HG2 GLU 117 HG2 GLU 117 6.682 -3.345 22.156 884 HG3 GLU 117 HG3 GLU 117 5.183 -4.230 22.249 885 H ALA 118 H ALA 118 9.585 -6.934 21.816 886 HA ALA 118 HA ALA 118 9.475 -9.105 23.689 887 HB1 ALA 118 HB1 ALA 118 9.419 -9.440 21.269 888 HB2 ALA 118 HB2 ALA 118 11.089 -8.842 21.125 889 HB3 ALA 118 HB3 ALA 118 10.756 -10.342 22.008 890 H GLN 119 H GLN 119 12.360 -7.132 22.665 891 HA GLN 119 HA GLN 119 14.152 -8.075 24.578 892 HB2 GLN 119 HB2 GLN 119 13.819 -5.360 23.241 893 HB3 GLN 119 HB3 GLN 119 15.158 -5.734 24.285 894 HG2 GLN 119 HG2 GLN 119 16.269 -6.425 22.488 895 HG3 GLN 119 HG3 GLN 119 15.257 -7.883 22.575 896 HE21 GLN 119 HE22 GLN 119 13.623 -8.178 21.106 897 HE22 GLN 119 HE21 GLN 119 12.923 -6.808 20.262 Start of MODEL 29 1 H SER 1 H SER 1 18.656 -4.243 13.363 2 HA SER 1 HA SER 1 16.174 -3.301 14.674 3 HB2 SER 1 HB2 SER 1 19.041 -2.360 15.042 4 HB3 SER 1 HB3 SER 1 17.634 -1.830 15.966 5 HG SER 1 HG SER 1 17.353 -3.840 16.780 6 H GLU 2 H GLU 2 18.583 -2.117 12.256 7 HA GLU 2 HA GLU 2 17.198 0.357 11.703 8 HB2 GLU 2 HB2 GLU 2 19.432 0.007 10.820 9 HB3 GLU 2 HB3 GLU 2 18.903 -1.389 9.871 10 HG2 GLU 2 HG2 GLU 2 17.451 0.015 8.493 11 HG3 GLU 2 HG3 GLU 2 17.781 1.418 9.509 12 H ALA 3 H ALA 3 16.775 -2.963 10.300 13 HA ALA 3 HA ALA 3 14.655 -2.406 8.605 14 HB1 ALA 3 HB1 ALA 3 14.954 -4.891 10.327 15 HB2 ALA 3 HB2 ALA 3 14.077 -4.756 8.794 16 HB3 ALA 3 HB3 ALA 3 15.843 -4.577 8.813 17 H LEU 4 H LEU 4 14.489 -2.615 12.144 18 HA LEU 4 HA LEU 4 11.584 -2.787 12.301 19 HB2 LEU 4 HB2 LEU 4 13.214 -3.589 14.070 20 HB3 LEU 4 HB3 LEU 4 13.605 -1.910 14.394 21 HG LEU 4 HG LEU 4 11.174 -1.514 15.010 22 HD11 LEU 4 HD11 LEU 4 9.873 -3.529 15.622 23 HD12 LEU 4 HD12 LEU 4 10.217 -3.500 13.884 24 HD13 LEU 4 HD13 LEU 4 11.165 -4.553 14.947 25 HD21 LEU 4 HD21 LEU 4 11.419 -2.523 17.215 26 HD22 LEU 4 HD22 LEU 4 12.709 -3.594 16.613 27 HD23 LEU 4 HD23 LEU 4 12.959 -1.835 16.673 28 H ALA 5 H ALA 5 13.858 -0.173 11.815 29 HA ALA 5 HA ALA 5 11.867 1.937 12.382 30 HB1 ALA 5 HB1 ALA 5 13.654 3.467 11.658 31 HB2 ALA 5 HB2 ALA 5 14.183 2.432 12.996 32 HB3 ALA 5 HB3 ALA 5 14.725 2.091 11.338 33 H LYS 6 H LYS 6 13.621 0.365 9.607 34 HA LYS 6 HA LYS 6 12.724 1.850 7.474 35 HB2 LYS 6 HB2 LYS 6 14.484 0.125 7.512 36 HB3 LYS 6 HB3 LYS 6 13.233 -1.132 7.615 37 HG2 LYS 6 HG2 LYS 6 12.332 -0.504 5.452 38 HG3 LYS 6 HG3 LYS 6 13.461 0.863 5.334 39 HD2 LYS 6 HD2 LYS 6 15.368 -0.672 5.274 40 HD3 LYS 6 HD3 LYS 6 14.297 -2.074 5.526 41 HE2 LYS 6 HE2 LYS 6 13.117 -1.614 3.445 42 HE3 LYS 6 HE3 LYS 6 14.029 -0.117 3.211 43 HZ1 LYS 6 HZ1 LYS 6 15.950 -1.291 2.736 44 HZ2 LYS 6 HZ2 LYS 6 15.438 -2.727 3.356 45 HZ3 LYS 6 HZ3 LYS 6 14.784 -2.147 1.946 46 H LEU 7 H LEU 7 11.008 -0.980 8.881 47 HA LEU 7 HA LEU 7 8.878 -1.225 7.094 48 HB2 LEU 7 HB2 LEU 7 9.275 -1.689 10.023 49 HB3 LEU 7 HB3 LEU 7 7.614 -1.632 9.466 50 HG LEU 7 HG LEU 7 8.511 -3.914 9.665 51 HD11 LEU 7 HD11 LEU 7 7.633 -4.773 7.564 52 HD12 LEU 7 HD12 LEU 7 6.632 -3.465 8.196 53 HD13 LEU 7 HD13 LEU 7 7.745 -3.160 6.831 54 HD21 LEU 7 HD21 LEU 7 10.784 -3.753 8.961 55 HD22 LEU 7 HD22 LEU 7 9.958 -4.822 7.842 56 HD23 LEU 7 HD23 LEU 7 10.328 -3.157 7.347 57 H ILE 8 H ILE 8 8.984 1.128 9.816 58 HA ILE 8 HA ILE 8 6.434 2.314 9.032 59 HB ILE 8 HB ILE 8 8.529 3.151 11.047 60 HG12 ILE 8 HG12 ILE 8 7.416 1.066 11.637 61 HG13 ILE 8 HG13 ILE 8 6.941 2.356 12.717 62 HG21 ILE 8 HG21 ILE 8 5.807 4.407 10.510 63 HG22 ILE 8 HG22 ILE 8 6.746 4.644 11.999 64 HG23 ILE 8 HG23 ILE 8 7.402 5.189 10.459 65 HD11 ILE 8 HD11 ILE 8 5.245 1.163 10.476 66 HD12 ILE 8 HD12 ILE 8 5.012 0.986 12.218 67 HD13 ILE 8 HD13 ILE 8 4.760 2.563 11.466 68 H SER 9 H SER 9 9.775 3.026 8.219 69 HA SER 9 HA SER 9 9.168 5.713 7.172 70 HB2 SER 9 HB2 SER 9 11.669 4.063 7.419 71 HB3 SER 9 HB3 SER 9 11.614 5.439 6.306 72 HG SER 9 HG SER 9 10.983 5.541 9.100 73 H LEU 10 H LEU 10 9.394 2.467 5.782 74 HA LEU 10 HA LEU 10 9.554 3.070 3.035 75 HB2 LEU 10 HB2 LEU 10 8.177 0.917 4.679 76 HB3 LEU 10 HB3 LEU 10 8.003 0.918 2.934 77 HG LEU 10 HG LEU 10 10.754 0.909 4.216 78 HD11 LEU 10 HD11 LEU 10 10.739 -1.541 3.818 79 HD12 LEU 10 HD12 LEU 10 9.517 -1.076 5.012 80 HD13 LEU 10 HD13 LEU 10 9.029 -1.460 3.348 81 HD21 LEU 10 HD21 LEU 10 9.715 0.010 1.497 82 HD22 LEU 10 HD22 LEU 10 10.602 1.516 1.807 83 HD23 LEU 10 HD23 LEU 10 11.403 -0.042 2.041 84 H GLN 11 H GLN 11 6.941 3.769 5.154 85 HA GLN 11 HA GLN 11 4.794 3.692 3.221 86 HB2 GLN 11 HB2 GLN 11 4.931 4.772 6.023 87 HB3 GLN 11 HB3 GLN 11 3.459 4.724 5.031 88 HG2 GLN 11 HG2 GLN 11 3.721 2.270 4.741 89 HG3 GLN 11 HG3 GLN 11 5.162 2.298 5.775 90 HE21 GLN 11 HE22 GLN 11 4.727 3.497 7.995 91 HE22 GLN 11 HE21 GLN 11 3.156 3.112 8.711 92 H ALA 12 H ALA 12 3.752 5.237 2.148 93 HA ALA 12 HA ALA 12 5.008 7.692 1.419 94 HB1 ALA 12 HB1 ALA 12 2.154 6.683 1.094 95 HB2 ALA 12 HB2 ALA 12 2.833 8.081 0.253 96 HB3 ALA 12 HB3 ALA 12 3.492 6.460 -0.061 97 H THR 13 H THR 13 4.359 9.850 1.772 98 HA THR 13 HA THR 13 3.163 10.480 4.405 99 HB THR 13 HB THR 13 3.840 12.866 3.484 100 HG1 THR 13 HG1 THR 13 4.441 12.241 1.369 101 HG21 THR 13 HG21 THR 13 5.879 10.725 4.208 102 HG22 THR 13 HG22 THR 13 6.131 12.483 4.344 103 HG23 THR 13 HG23 THR 13 4.923 11.679 5.366 104 H GLU 14 H GLU 14 2.140 10.273 1.200 105 HA GLU 14 HA GLU 14 -0.436 11.641 1.749 106 HB2 GLU 14 HB2 GLU 14 -0.327 12.761 -0.409 107 HB3 GLU 14 HB3 GLU 14 0.982 13.280 0.635 108 HG2 GLU 14 HG2 GLU 14 1.240 11.215 -1.602 109 HG3 GLU 14 HG3 GLU 14 1.644 12.922 -1.763 110 H ALA 15 H ALA 15 -2.077 11.252 0.170 111 HA ALA 15 HA ALA 15 -1.788 8.864 -1.559 112 HB1 ALA 15 HB1 ALA 15 -4.006 9.217 0.503 113 HB2 ALA 15 HB2 ALA 15 -3.887 7.903 -0.694 114 HB3 ALA 15 HB3 ALA 15 -2.676 8.047 0.600 115 H THR 16 H THR 16 -3.449 8.701 -3.137 116 HA THR 16 HA THR 16 -4.966 11.237 -3.747 117 HB THR 16 HB THR 16 -3.998 9.133 -5.710 118 HG1 THR 16 HG1 THR 16 -2.388 10.569 -4.853 119 HG21 THR 16 HG21 THR 16 -4.731 10.794 -7.413 120 HG22 THR 16 HG22 THR 16 -6.101 10.217 -6.463 121 HG23 THR 16 HG23 THR 16 -5.409 11.816 -6.120 122 H ILE 17 H ILE 17 -7.000 11.026 -3.074 123 HA ILE 17 HA ILE 17 -8.401 8.397 -3.119 124 HB ILE 17 HB ILE 17 -9.291 11.127 -2.119 125 HG12 ILE 17 HG12 ILE 17 -8.507 8.585 -0.625 126 HG13 ILE 17 HG13 ILE 17 -7.549 10.057 -0.719 127 HG21 ILE 17 HG21 ILE 17 -10.739 8.440 -1.959 128 HG22 ILE 17 HG22 ILE 17 -11.288 9.970 -1.237 129 HG23 ILE 17 HG23 ILE 17 -11.225 9.821 -2.972 130 HD11 ILE 17 HD11 ILE 17 -10.219 9.740 0.698 131 HD12 ILE 17 HD12 ILE 17 -8.631 9.968 1.428 132 HD13 ILE 17 HD13 ILE 17 -9.368 11.285 0.484 133 H VAL 18 H VAL 18 -9.825 7.848 -4.701 134 HA VAL 18 HA VAL 18 -10.555 9.932 -6.730 135 HB VAL 18 HB VAL 18 -9.700 7.098 -7.391 136 HG11 VAL 18 HG11 VAL 18 -10.631 9.425 -9.140 137 HG12 VAL 18 HG12 VAL 18 -9.891 7.935 -9.749 138 HG13 VAL 18 HG13 VAL 18 -11.448 7.861 -8.931 139 HG21 VAL 18 HG21 VAL 18 -7.728 8.318 -6.894 140 HG22 VAL 18 HG22 VAL 18 -7.886 8.446 -8.658 141 HG23 VAL 18 HG23 VAL 18 -8.347 9.801 -7.620 142 H THR 19 H THR 19 -12.579 10.249 -6.833 143 HA THR 19 HA THR 19 -14.542 8.095 -6.170 144 HB THR 19 HB THR 19 -14.567 10.994 -5.260 145 HG1 THR 19 HG1 THR 19 -13.889 10.317 -3.406 146 HG21 THR 19 HG21 THR 19 -16.423 8.666 -4.597 147 HG22 THR 19 HG22 THR 19 -16.400 10.226 -3.745 148 HG23 THR 19 HG23 THR 19 -16.851 10.170 -5.451 149 H LEU 20 H LEU 20 -16.445 8.133 -7.274 150 HA LEU 20 HA LEU 20 -16.477 9.839 -9.708 151 HB2 LEU 20 HB2 LEU 20 -17.887 7.187 -9.279 152 HB3 LEU 20 HB3 LEU 20 -17.683 8.067 -10.791 153 HG LEU 20 HG LEU 20 -15.440 6.777 -9.152 154 HD11 LEU 20 HD11 LEU 20 -16.527 5.959 -11.862 155 HD12 LEU 20 HD12 LEU 20 -15.218 5.193 -10.952 156 HD13 LEU 20 HD13 LEU 20 -16.861 5.139 -10.317 157 HD21 LEU 20 HD21 LEU 20 -14.564 8.723 -10.350 158 HD22 LEU 20 HD22 LEU 20 -14.010 7.240 -11.125 159 HD23 LEU 20 HD23 LEU 20 -15.339 8.171 -11.852 160 H ASP 21 H ASP 21 -18.022 11.355 -9.966 161 HA ASP 21 HA ASP 21 -20.003 11.553 -7.743 162 HB2 ASP 21 HB2 ASP 21 -17.952 13.346 -8.656 163 HB3 ASP 21 HB3 ASP 21 -19.492 14.112 -8.937 164 H SER 22 H SER 22 -20.445 10.501 -10.598 165 HA SER 22 HA SER 22 -23.106 11.841 -10.920 166 HB2 SER 22 HB2 SER 22 -21.233 11.223 -13.226 167 HB3 SER 22 HB3 SER 22 -22.963 11.538 -13.411 168 HG SER 22 HG SER 22 -21.607 13.353 -13.759 169 H ASP 23 H ASP 23 -22.083 9.452 -13.144 170 HA ASP 23 HA ASP 23 -23.334 7.182 -11.692 171 HB2 ASP 23 HB2 ASP 23 -24.962 8.397 -13.184 172 HB3 ASP 23 HB3 ASP 23 -23.898 8.108 -14.554 173 H ASN 24 H ASN 24 -20.793 7.237 -11.482 174 HA ASN 24 HA ASN 24 -18.740 6.557 -11.894 175 HB2 ASN 24 HB2 ASN 24 -19.904 4.679 -13.963 176 HB3 ASN 24 HB3 ASN 24 -18.301 4.585 -13.266 177 HD21 ASN 24 HD22 ASN 24 -21.515 3.668 -12.799 178 HD22 ASN 24 HD21 ASN 24 -21.093 2.832 -11.293 179 H ILE 25 H ILE 25 -20.345 7.745 -14.754 180 HA ILE 25 HA ILE 25 -18.109 7.886 -16.458 181 HB ILE 25 HB ILE 25 -19.502 9.323 -17.854 182 HG12 ILE 25 HG12 ILE 25 -21.490 9.368 -15.534 183 HG13 ILE 25 HG13 ILE 25 -20.507 10.737 -16.059 184 HG21 ILE 25 HG21 ILE 25 -21.155 7.076 -16.604 185 HG22 ILE 25 HG22 ILE 25 -21.218 7.675 -18.275 186 HG23 ILE 25 HG23 ILE 25 -19.786 6.820 -17.698 187 HD11 ILE 25 HD11 ILE 25 -22.685 9.371 -17.688 188 HD12 ILE 25 HD12 ILE 25 -22.738 10.976 -16.948 189 HD13 ILE 25 HD13 ILE 25 -21.620 10.665 -18.291 190 H LEU 26 H LEU 26 -18.431 9.775 -13.760 191 HA LEU 26 HA LEU 26 -16.785 12.043 -14.830 192 HB2 LEU 26 HB2 LEU 26 -19.014 12.742 -14.315 193 HB3 LEU 26 HB3 LEU 26 -18.941 12.046 -12.701 194 HG LEU 26 HG LEU 26 -16.712 13.952 -13.284 195 HD11 LEU 26 HD11 LEU 26 -19.586 14.927 -13.113 196 HD12 LEU 26 HD12 LEU 26 -18.119 15.946 -13.070 197 HD13 LEU 26 HD13 LEU 26 -18.514 15.025 -14.533 198 HD21 LEU 26 HD21 LEU 26 -17.129 13.061 -11.028 199 HD22 LEU 26 HD22 LEU 26 -17.310 14.818 -11.077 200 HD23 LEU 26 HD23 LEU 26 -18.758 13.785 -11.066 201 H LEU 27 H LEU 27 -14.882 12.194 -13.977 202 HA LEU 27 HA LEU 27 -14.108 10.605 -11.541 203 HB2 LEU 27 HB2 LEU 27 -12.539 11.469 -13.978 204 HB3 LEU 27 HB3 LEU 27 -11.729 11.143 -12.451 205 HG LEU 27 HG LEU 27 -12.655 8.843 -12.435 206 HD11 LEU 27 HD11 LEU 27 -13.490 7.900 -14.590 207 HD12 LEU 27 HD12 LEU 27 -14.629 9.048 -13.888 208 HD13 LEU 27 HD13 LEU 27 -13.604 9.546 -15.251 209 HD21 LEU 27 HD21 LEU 27 -10.406 9.359 -13.311 210 HD22 LEU 27 HD22 LEU 27 -11.140 7.998 -14.165 211 HD23 LEU 27 HD23 LEU 27 -11.085 9.600 -14.934 212 H SER 28 H SER 28 -13.562 11.574 -9.714 213 HA SER 28 HA SER 28 -12.738 14.454 -9.689 214 HB2 SER 28 HB2 SER 28 -15.196 14.087 -9.310 215 HB3 SER 28 HB3 SER 28 -14.804 13.133 -7.875 216 HG SER 28 HG SER 28 -15.313 15.409 -7.572 217 H GLU 29 H GLU 29 -10.537 14.050 -9.148 218 HA GLU 29 HA GLU 29 -9.977 12.232 -6.900 219 HB2 GLU 29 HB2 GLU 29 -7.903 13.828 -8.393 220 HB3 GLU 29 HB3 GLU 29 -7.706 12.422 -7.371 221 HG2 GLU 29 HG2 GLU 29 -7.470 11.359 -9.320 222 HG3 GLU 29 HG3 GLU 29 -9.224 11.235 -9.190 223 H GLU 30 H GLU 30 -8.968 12.735 -5.043 224 HA GLU 30 HA GLU 30 -8.431 15.604 -4.331 225 HB2 GLU 30 HB2 GLU 30 -9.164 13.459 -2.319 226 HB3 GLU 30 HB3 GLU 30 -9.041 15.190 -2.060 227 HG2 GLU 30 HG2 GLU 30 -11.185 13.703 -3.619 228 HG3 GLU 30 HG3 GLU 30 -11.359 14.452 -2.037 229 H GLN 31 H GLN 31 -6.438 16.059 -3.334 230 HA GLN 31 HA GLN 31 -4.500 13.808 -2.958 231 HB2 GLN 31 HB2 GLN 31 -4.039 16.773 -3.275 232 HB3 GLN 31 HB3 GLN 31 -2.836 15.541 -2.883 233 HG2 GLN 31 HG2 GLN 31 -3.797 14.306 -5.044 234 HG3 GLN 31 HG3 GLN 31 -4.390 15.920 -5.468 235 HE21 GLN 31 HE21 GLN 31 -1.441 14.177 -4.361 236 HE22 GLN 31 HE22 GLN 31 -0.329 15.279 -5.139 237 H VAL 32 H VAL 32 -4.162 13.171 -0.910 238 HA VAL 32 HA VAL 32 -4.848 14.963 1.386 239 HB VAL 32 HB VAL 32 -6.001 13.188 2.511 240 HG11 VAL 32 HG11 VAL 32 -7.178 13.334 -0.291 241 HG12 VAL 32 HG12 VAL 32 -8.022 13.059 1.248 242 HG13 VAL 32 HG13 VAL 32 -7.297 14.634 0.917 243 HG21 VAL 32 HG21 VAL 32 -4.819 11.209 1.642 244 HG22 VAL 32 HG22 VAL 32 -6.561 11.048 1.464 245 HG23 VAL 32 HG23 VAL 32 -5.568 11.449 0.045 246 H ASP 33 H ASP 33 -4.067 14.192 3.458 247 HA ASP 33 HA ASP 33 -1.344 13.073 3.354 248 HB2 ASP 33 HB2 ASP 33 -1.994 14.966 4.869 249 HB3 ASP 33 HB3 ASP 33 -2.903 13.796 5.822 250 H VAL 34 H VAL 34 -0.657 11.156 4.409 251 HA VAL 34 HA VAL 34 -2.383 8.874 4.166 252 HB VAL 34 HB VAL 34 0.084 8.840 3.966 253 HG11 VAL 34 HG11 VAL 34 0.108 8.859 7.016 254 HG12 VAL 34 HG12 VAL 34 1.492 8.605 5.945 255 HG13 VAL 34 HG13 VAL 34 0.679 10.176 5.968 256 HG21 VAL 34 HG21 VAL 34 -1.282 6.764 4.236 257 HG22 VAL 34 HG22 VAL 34 0.380 6.618 4.836 258 HG23 VAL 34 HG23 VAL 34 -0.961 6.814 5.978 259 H GLU 35 H GLU 35 -1.868 11.037 6.895 260 HA GLU 35 HA GLU 35 -3.184 9.420 8.915 261 HB2 GLU 35 HB2 GLU 35 -1.692 11.286 9.397 262 HB3 GLU 35 HB3 GLU 35 -2.781 12.425 8.582 263 HG2 GLU 35 HG2 GLU 35 -4.512 11.982 10.303 264 HG3 GLU 35 HG3 GLU 35 -3.421 10.842 11.104 265 H LEU 36 H LEU 36 -4.393 11.412 6.276 266 HA LEU 36 HA LEU 36 -7.074 11.712 7.485 267 HB2 LEU 36 HB2 LEU 36 -5.828 13.003 5.036 268 HB3 LEU 36 HB3 LEU 36 -7.357 13.449 5.790 269 HG LEU 36 HG LEU 36 -4.607 13.721 7.083 270 HD11 LEU 36 HD11 LEU 36 -5.004 15.310 5.238 271 HD12 LEU 36 HD12 LEU 36 -6.522 15.824 6.009 272 HD13 LEU 36 HD13 LEU 36 -4.963 16.119 6.810 273 HD21 LEU 36 HD21 LEU 36 -5.744 15.041 8.796 274 HD22 LEU 36 HD22 LEU 36 -7.320 14.588 8.098 275 HD23 LEU 36 HD23 LEU 36 -6.247 13.351 8.808 276 H VAL 37 H VAL 37 -5.660 9.559 5.316 277 HA VAL 37 HA VAL 37 -8.153 9.049 3.800 278 HB VAL 37 HB VAL 37 -6.117 8.752 2.588 279 HG11 VAL 37 HG11 VAL 37 -5.323 6.613 4.604 280 HG12 VAL 37 HG12 VAL 37 -4.498 6.964 3.068 281 HG13 VAL 37 HG13 VAL 37 -4.534 8.185 4.337 282 HG21 VAL 37 HG21 VAL 37 -6.433 6.525 1.708 283 HG22 VAL 37 HG22 VAL 37 -7.351 6.025 3.134 284 HG23 VAL 37 HG23 VAL 37 -8.009 7.273 2.048 285 H GLN 38 H GLN 38 -9.547 7.390 4.135 286 HA GLN 38 HA GLN 38 -9.443 6.054 6.813 287 HB2 GLN 38 HB2 GLN 38 -11.831 7.252 5.344 288 HB3 GLN 38 HB3 GLN 38 -11.861 6.459 6.908 289 HG2 GLN 38 HG2 GLN 38 -10.638 8.237 7.956 290 HG3 GLN 38 HG3 GLN 38 -10.219 8.938 6.395 291 HE21 GLN 38 HE22 GLN 38 -12.969 8.333 8.533 292 HE22 GLN 38 HE21 GLN 38 -14.033 9.382 7.570 293 H ARG 39 H ARG 39 -10.782 4.185 7.046 294 HA ARG 39 HA ARG 39 -10.311 2.366 4.836 295 HB2 ARG 39 HB2 ARG 39 -10.665 0.584 6.265 296 HB3 ARG 39 HB3 ARG 39 -9.861 1.829 7.220 297 HG2 ARG 39 HG2 ARG 39 -12.258 2.457 8.001 298 HG3 ARG 39 HG3 ARG 39 -12.761 0.921 7.291 299 HD2 ARG 39 HD2 ARG 39 -11.147 -0.278 8.741 300 HD3 ARG 39 HD3 ARG 39 -10.641 1.266 9.449 301 HE ARG 39 HE ARG 39 -12.952 1.584 10.284 302 HH11 ARG 39 HH11 ARG 39 -12.123 -1.805 9.606 303 HH12 ARG 39 HH12 ARG 39 -13.582 -2.328 10.408 304 HH21 ARG 39 HH21 ARG 39 -14.572 0.869 11.279 305 HH22 ARG 39 HH22 ARG 39 -14.921 -0.840 11.481 306 H GLY 40 H GLY 40 -12.560 4.358 4.658 307 HA2 GLY 40 HA2 GLY 40 -14.476 2.548 3.220 308 HA3 GLY 40 HA3 GLY 40 -14.950 4.085 3.945 309 H ASP 41 H ASP 41 -11.913 4.701 2.726 310 HA ASP 41 HA ASP 41 -13.001 6.037 0.340 311 HB2 ASP 41 HB2 ASP 41 -10.225 6.045 1.575 312 HB3 ASP 41 HB3 ASP 41 -10.736 7.023 0.204 313 H ILE 42 H ILE 42 -12.084 5.826 -1.776 314 HA ILE 42 HA ILE 42 -10.510 3.351 -2.301 315 HB ILE 42 HB ILE 42 -12.654 4.480 -4.121 316 HG12 ILE 42 HG12 ILE 42 -12.448 1.969 -2.405 317 HG13 ILE 42 HG13 ILE 42 -13.637 3.256 -2.271 318 HG21 ILE 42 HG21 ILE 42 -10.786 2.097 -4.519 319 HG22 ILE 42 HG22 ILE 42 -12.053 2.647 -5.640 320 HG23 ILE 42 HG23 ILE 42 -10.645 3.654 -5.362 321 HD11 ILE 42 HD11 ILE 42 -14.593 2.589 -4.479 322 HD12 ILE 42 HD12 ILE 42 -13.452 1.216 -4.517 323 HD13 ILE 42 HD13 ILE 42 -14.665 1.310 -3.242 324 H ILE 43 H ILE 43 -8.648 3.643 -3.110 325 HA ILE 43 HA ILE 43 -7.679 6.301 -3.751 326 HB ILE 43 HB ILE 43 -6.157 3.759 -3.086 327 HG12 ILE 43 HG12 ILE 43 -7.740 3.829 -1.287 328 HG13 ILE 43 HG13 ILE 43 -6.186 4.327 -0.682 329 HG21 ILE 43 HG21 ILE 43 -4.527 5.267 -1.966 330 HG22 ILE 43 HG22 ILE 43 -4.652 5.568 -3.683 331 HG23 ILE 43 HG23 ILE 43 -5.451 6.664 -2.534 332 HD11 ILE 43 HD11 ILE 43 -8.083 5.662 0.201 333 HD12 ILE 43 HD12 ILE 43 -6.876 6.674 -0.629 334 HD13 ILE 43 HD13 ILE 43 -8.419 6.284 -1.410 335 H LYS 44 H LYS 44 -5.558 6.116 -5.113 336 HA LYS 44 HA LYS 44 -5.761 4.367 -7.457 337 HB2 LYS 44 HB2 LYS 44 -6.999 6.313 -8.165 338 HB3 LYS 44 HB3 LYS 44 -5.574 7.342 -7.880 339 HG2 LYS 44 HG2 LYS 44 -4.297 6.129 -9.550 340 HG3 LYS 44 HG3 LYS 44 -5.547 4.884 -9.708 341 HD2 LYS 44 HD2 LYS 44 -5.992 7.809 -10.372 342 HD3 LYS 44 HD3 LYS 44 -5.449 6.585 -11.538 343 HE2 LYS 44 HE2 LYS 44 -7.514 5.237 -10.980 344 HE3 LYS 44 HE3 LYS 44 -8.093 6.597 -10.011 345 HZ1 LYS 44 HZ1 LYS 44 -8.032 7.947 -12.063 346 HZ2 LYS 44 HZ2 LYS 44 -7.553 6.615 -12.926 347 HZ3 LYS 44 HZ3 LYS 44 -9.039 6.659 -12.201 348 H VAL 45 H VAL 45 -3.759 3.576 -7.909 349 HA VAL 45 HA VAL 45 -1.394 4.940 -6.712 350 HB VAL 45 HB VAL 45 -2.166 2.664 -5.889 351 HG11 VAL 45 HG11 VAL 45 -0.914 1.639 -8.466 352 HG12 VAL 45 HG12 VAL 45 -1.514 0.681 -7.106 353 HG13 VAL 45 HG13 VAL 45 -2.648 1.635 -8.080 354 HG21 VAL 45 HG21 VAL 45 0.078 3.554 -5.405 355 HG22 VAL 45 HG22 VAL 45 0.162 1.812 -5.695 356 HG23 VAL 45 HG23 VAL 45 0.688 2.942 -6.959 357 H VAL 46 H VAL 46 0.237 5.645 -7.975 358 HA VAL 46 HA VAL 46 -0.277 5.631 -10.841 359 HB VAL 46 HB VAL 46 1.272 7.432 -11.012 360 HG11 VAL 46 HG11 VAL 46 -0.987 7.904 -10.108 361 HG12 VAL 46 HG12 VAL 46 -0.319 7.830 -8.459 362 HG13 VAL 46 HG13 VAL 46 0.244 9.066 -9.595 363 HG21 VAL 46 HG21 VAL 46 2.064 6.995 -8.116 364 HG22 VAL 46 HG22 VAL 46 3.092 6.690 -9.533 365 HG23 VAL 46 HG23 VAL 46 2.565 8.333 -9.160 366 HA PRO 47 HA PRO 47 3.053 3.040 -12.335 367 HB2 PRO 47 HB2 PRO 47 3.972 5.329 -14.069 368 HB3 PRO 47 HB3 PRO 47 3.646 3.634 -14.526 369 HG2 PRO 47 HG2 PRO 47 1.849 5.568 -15.131 370 HG3 PRO 47 HG3 PRO 47 1.258 4.016 -14.440 371 HD2 PRO 47 HD2 PRO 47 1.845 6.610 -12.980 372 HD3 PRO 47 HD3 PRO 47 0.355 5.622 -12.927 373 H GLY 48 H GLY 48 5.046 2.601 -11.340 374 HA2 GLY 48 HA2 GLY 48 6.943 2.930 -10.114 375 HA3 GLY 48 HA3 GLY 48 7.031 4.599 -10.687 376 H GLY 49 H GLY 49 3.987 4.107 -9.228 377 HA2 GLY 49 HA2 GLY 49 4.550 5.706 -6.936 378 HA3 GLY 49 HA3 GLY 49 3.036 4.902 -7.336 379 H LYS 50 H LYS 50 3.688 5.165 -4.753 380 HA LYS 50 HA LYS 50 4.510 2.425 -3.843 381 HB2 LYS 50 HB2 LYS 50 5.122 5.068 -2.466 382 HB3 LYS 50 HB3 LYS 50 5.568 3.450 -1.894 383 HG2 LYS 50 HG2 LYS 50 6.977 3.118 -3.904 384 HG3 LYS 50 HG3 LYS 50 6.535 4.723 -4.489 385 HD2 LYS 50 HD2 LYS 50 7.525 5.710 -2.409 386 HD3 LYS 50 HD3 LYS 50 8.148 4.108 -1.983 387 HE2 LYS 50 HE2 LYS 50 9.525 4.023 -3.982 388 HE3 LYS 50 HE3 LYS 50 8.727 5.453 -4.660 389 HZ1 LYS 50 HZ1 LYS 50 9.693 6.790 -2.908 390 HZ2 LYS 50 HZ2 LYS 50 10.399 5.494 -2.208 391 HZ3 LYS 50 HZ3 LYS 50 10.900 5.992 -3.693 392 H PHE 51 H PHE 51 3.341 1.460 -2.285 393 HA PHE 51 HA PHE 51 0.607 2.378 -2.093 394 HB2 PHE 51 HB2 PHE 51 1.995 -0.075 -1.027 395 HB3 PHE 51 HB3 PHE 51 0.290 0.252 -0.749 396 HD1 PHE 51 HD2 PHE 51 -1.330 0.374 -2.664 397 HD2 PHE 51 HD1 PHE 51 2.758 -0.852 -3.213 398 HE1 PHE 51 HE2 PHE 51 -1.892 -0.577 -4.886 399 HE2 PHE 51 HE1 PHE 51 2.192 -1.810 -5.412 400 HZ PHE 51 HZ PHE 51 -0.138 -1.664 -6.273 401 HA PRO 52 HA PRO 52 1.217 4.442 1.854 402 HB2 PRO 52 HB2 PRO 52 -1.165 5.723 2.100 403 HB3 PRO 52 HB3 PRO 52 0.002 6.137 0.814 404 HG2 PRO 52 HG2 PRO 52 -2.439 4.365 0.598 405 HG3 PRO 52 HG3 PRO 52 -1.917 5.681 -0.497 406 HD2 PRO 52 HD2 PRO 52 -1.374 3.021 -0.971 407 HD3 PRO 52 HD3 PRO 52 -0.290 4.345 -1.486 408 H VAL 53 H VAL 53 -1.242 1.997 1.467 409 HA VAL 53 HA VAL 53 -1.357 1.298 4.269 410 HB VAL 53 HB VAL 53 -3.827 1.281 4.406 411 HG11 VAL 53 HG11 VAL 53 -2.734 4.106 4.132 412 HG12 VAL 53 HG12 VAL 53 -4.087 3.550 5.138 413 HG13 VAL 53 HG13 VAL 53 -2.432 3.038 5.512 414 HG21 VAL 53 HG21 VAL 53 -5.173 2.737 3.023 415 HG22 VAL 53 HG22 VAL 53 -3.754 3.250 2.095 416 HG23 VAL 53 HG23 VAL 53 -4.337 1.569 1.976 417 H ASP 54 H ASP 54 -2.968 -0.768 4.393 418 HA ASP 54 HA ASP 54 -2.388 -2.363 1.939 419 HB2 ASP 54 HB2 ASP 54 -2.009 -4.254 3.106 420 HB3 ASP 54 HB3 ASP 54 -1.177 -3.030 4.051 421 H GLY 55 H GLY 55 -3.888 -3.660 0.972 422 HA2 GLY 55 HA2 GLY 55 -6.619 -3.962 1.784 423 HA3 GLY 55 HA3 GLY 55 -6.471 -2.463 0.875 424 H ARG 56 H ARG 56 -7.849 -3.291 -0.686 425 HA ARG 56 HA ARG 56 -6.759 -5.478 -2.440 426 HB2 ARG 56 HB2 ARG 56 -8.869 -5.904 -0.955 427 HB3 ARG 56 HB3 ARG 56 -9.737 -5.047 -2.234 428 HG2 ARG 56 HG2 ARG 56 -8.845 -6.671 -3.907 429 HG3 ARG 56 HG3 ARG 56 -7.933 -7.481 -2.629 430 HD2 ARG 56 HD2 ARG 56 -10.938 -7.384 -2.938 431 HD3 ARG 56 HD3 ARG 56 -9.869 -8.779 -3.156 432 HE ARG 56 HE ARG 56 -10.692 -7.516 -0.595 433 HH11 ARG 56 HH11 ARG 56 -9.130 -10.353 -2.036 434 HH12 ARG 56 HH12 ARG 56 -9.011 -11.093 -0.463 435 HH21 ARG 56 HH21 ARG 56 -10.351 -8.455 1.235 436 HH22 ARG 56 HH22 ARG 56 -9.410 -9.954 1.361 437 H VAL 57 H VAL 57 -6.900 -5.451 -4.579 438 HA VAL 57 HA VAL 57 -7.211 -2.882 -6.024 439 HB VAL 57 HB VAL 57 -6.163 -5.610 -6.926 440 HG11 VAL 57 HG11 VAL 57 -6.051 -2.877 -8.270 441 HG12 VAL 57 HG12 VAL 57 -5.185 -4.330 -8.831 442 HG13 VAL 57 HG13 VAL 57 -6.938 -4.311 -8.839 443 HG21 VAL 57 HG21 VAL 57 -4.652 -4.587 -5.218 444 HG22 VAL 57 HG22 VAL 57 -3.924 -4.777 -6.814 445 HG23 VAL 57 HG23 VAL 57 -4.474 -3.184 -6.296 446 H ILE 58 H ILE 58 -9.031 -2.589 -7.309 447 HA ILE 58 HA ILE 58 -10.305 -5.003 -8.505 448 HB ILE 58 HB ILE 58 -12.600 -4.033 -8.075 449 HG12 ILE 58 HG12 ILE 58 -11.196 -2.679 -5.756 450 HG13 ILE 58 HG13 ILE 58 -11.598 -1.796 -7.248 451 HG21 ILE 58 HG21 ILE 58 -11.139 -5.054 -5.614 452 HG22 ILE 58 HG22 ILE 58 -12.862 -5.201 -5.999 453 HG23 ILE 58 HG23 ILE 58 -11.673 -6.073 -6.966 454 HD11 ILE 58 HD11 ILE 58 -14.012 -2.444 -6.955 455 HD12 ILE 58 HD12 ILE 58 -13.598 -3.076 -5.343 456 HD13 ILE 58 HD13 ILE 58 -13.385 -1.352 -5.719 457 H GLU 59 H GLU 59 -8.534 -2.945 -9.606 458 HA GLU 59 HA GLU 59 -9.894 -3.015 -12.152 459 HB2 GLU 59 HB2 GLU 59 -10.587 -0.754 -10.906 460 HB3 GLU 59 HB3 GLU 59 -8.982 -0.237 -11.385 461 HG2 GLU 59 HG2 GLU 59 -9.490 -0.612 -13.734 462 HG3 GLU 59 HG3 GLU 59 -11.021 -1.393 -13.330 463 H GLY 60 H GLY 60 -8.365 -3.290 -13.767 464 HA2 GLY 60 HA2 GLY 60 -6.531 -2.563 -15.001 465 HA3 GLY 60 HA3 GLY 60 -5.816 -1.862 -13.568 466 H HIS 61 H HIS 61 -3.970 -2.691 -14.534 467 HA HIS 61 HA HIS 61 -3.174 -5.432 -13.663 468 HB2 HIS 61 HB2 HIS 61 -2.241 -5.929 -15.940 469 HB3 HIS 61 HB3 HIS 61 -3.984 -5.966 -15.802 470 HD1 HIS 61 HD1 HIS 61 -5.358 -4.281 -17.351 471 HD2 HIS 61 HD2 HIS 61 -1.161 -3.908 -17.447 472 HE1 HIS 61 HE1 HIS 61 -4.807 -2.748 -19.321 473 H SER 62 H SER 62 -1.431 -5.106 -12.443 474 HA SER 62 HA SER 62 0.899 -3.879 -13.677 475 HB2 SER 62 HB2 SER 62 -0.409 -2.098 -12.171 476 HB3 SER 62 HB3 SER 62 0.488 -2.876 -10.870 477 HG SER 62 HG SER 62 1.527 -1.103 -11.978 478 H MET 63 H MET 63 2.807 -4.091 -12.240 479 HA MET 63 HA MET 63 2.747 -6.663 -10.730 480 HB2 MET 63 HB2 MET 63 3.759 -6.768 -13.033 481 HB3 MET 63 HB3 MET 63 5.055 -5.708 -12.457 482 HG2 MET 63 HG2 MET 63 5.797 -7.331 -10.896 483 HG3 MET 63 HG3 MET 63 4.309 -8.267 -11.003 484 HE1 MET 63 HE1 MET 63 4.542 -10.445 -14.052 485 HE2 MET 63 HE2 MET 63 3.990 -10.332 -12.365 486 HE3 MET 63 HE3 MET 63 3.473 -9.109 -13.554 487 H VAL 64 H VAL 64 3.884 -6.751 -8.852 488 HA VAL 64 HA VAL 64 4.900 -4.167 -7.733 489 HB VAL 64 HB VAL 64 3.031 -6.197 -6.458 490 HG11 VAL 64 HG11 VAL 64 4.454 -5.312 -4.689 491 HG12 VAL 64 HG12 VAL 64 4.223 -3.652 -5.277 492 HG13 VAL 64 HG13 VAL 64 2.868 -4.538 -4.585 493 HG21 VAL 64 HG21 VAL 64 1.871 -4.717 -8.052 494 HG22 VAL 64 HG22 VAL 64 1.436 -4.281 -6.395 495 HG23 VAL 64 HG23 VAL 64 2.606 -3.297 -7.295 496 H ASP 65 H ASP 65 6.577 -4.191 -6.417 497 HA ASP 65 HA ASP 65 8.023 -6.788 -6.028 498 HB2 ASP 65 HB2 ASP 65 9.256 -5.000 -7.173 499 HB3 ASP 65 HB3 ASP 65 9.115 -3.988 -5.728 500 H GLU 66 H GLU 66 8.110 -7.772 -4.185 501 HA GLU 66 HA GLU 66 7.409 -6.378 -1.637 502 HB2 GLU 66 HB2 GLU 66 6.650 -9.211 -2.434 503 HB3 GLU 66 HB3 GLU 66 6.135 -8.315 -0.994 504 HG2 GLU 66 HG2 GLU 66 4.899 -6.726 -2.498 505 HG3 GLU 66 HG3 GLU 66 5.307 -7.769 -3.868 506 H SER 67 H SER 67 10.127 -7.164 -2.787 507 HA SER 67 HA SER 67 11.050 -9.537 -1.574 508 HB2 SER 67 HB2 SER 67 13.229 -8.919 -2.280 509 HB3 SER 67 HB3 SER 67 12.074 -8.353 -3.502 510 HG SER 67 HG SER 67 13.514 -6.776 -3.128 511 H LEU 68 H LEU 68 10.883 -6.352 -0.062 512 HA LEU 68 HA LEU 68 12.338 -7.382 2.310 513 HB2 LEU 68 HB2 LEU 68 12.735 -5.099 1.606 514 HB3 LEU 68 HB3 LEU 68 11.031 -4.721 1.583 515 HG LEU 68 HG LEU 68 12.278 -3.633 3.354 516 HD11 LEU 68 HD11 LEU 68 10.268 -5.491 4.647 517 HD12 LEU 68 HD12 LEU 68 10.730 -3.856 5.114 518 HD13 LEU 68 HD13 LEU 68 9.844 -4.107 3.605 519 HD21 LEU 68 HD21 LEU 68 13.911 -5.376 3.928 520 HD22 LEU 68 HD22 LEU 68 13.062 -4.740 5.347 521 HD23 LEU 68 HD23 LEU 68 12.619 -6.334 4.689 522 H ILE 69 H ILE 69 9.013 -6.564 1.279 523 HA ILE 69 HA ILE 69 7.826 -6.856 3.839 524 HB ILE 69 HB ILE 69 6.421 -7.171 1.164 525 HG12 ILE 69 HG12 ILE 69 7.784 -5.068 1.147 526 HG13 ILE 69 HG13 ILE 69 6.063 -4.851 0.986 527 HG21 ILE 69 HG21 ILE 69 5.507 -6.408 3.970 528 HG22 ILE 69 HG22 ILE 69 4.528 -6.123 2.531 529 HG23 ILE 69 HG23 ILE 69 4.965 -7.776 2.977 530 HD11 ILE 69 HD11 ILE 69 5.836 -4.054 3.237 531 HD12 ILE 69 HD12 ILE 69 7.524 -4.466 3.626 532 HD13 ILE 69 HD13 ILE 69 7.158 -3.168 2.465 533 H THR 70 H THR 70 7.409 -9.124 1.053 534 HA THR 70 HA THR 70 6.846 -11.351 2.951 535 HB THR 70 HB THR 70 5.920 -12.490 0.955 536 HG1 THR 70 HG1 THR 70 5.514 -10.565 -0.684 537 HG21 THR 70 HG21 THR 70 4.740 -9.700 1.276 538 HG22 THR 70 HG22 THR 70 3.921 -11.186 0.742 539 HG23 THR 70 HG23 THR 70 4.481 -11.043 2.415 540 H GLY 71 H GLY 71 9.415 -10.239 1.013 541 HA2 GLY 71 HA2 GLY 71 11.570 -11.154 1.010 542 HA3 GLY 71 HA3 GLY 71 10.954 -12.666 1.658 543 H GLU 72 H GLU 72 9.204 -11.614 -1.057 544 HA GLU 72 HA GLU 72 9.691 -13.936 -2.586 545 HB2 GLU 72 HB2 GLU 72 8.457 -11.258 -3.229 546 HB3 GLU 72 HB3 GLU 72 8.732 -12.405 -4.536 547 HG2 GLU 72 HG2 GLU 72 7.162 -13.081 -2.023 548 HG3 GLU 72 HG3 GLU 72 6.429 -12.475 -3.501 549 H ALA 73 H ALA 73 11.015 -10.700 -3.516 550 HA ALA 73 HA ALA 73 13.001 -10.108 -4.387 551 HB1 ALA 73 HB1 ALA 73 14.122 -11.504 -2.716 552 HB2 ALA 73 HB2 ALA 73 14.071 -12.877 -3.846 553 HB3 ALA 73 HB3 ALA 73 15.004 -11.427 -4.253 554 H MET 74 H MET 74 10.749 -11.407 -5.791 555 HA MET 74 HA MET 74 11.793 -10.944 -8.419 556 HB2 MET 74 HB2 MET 74 12.012 -13.413 -8.233 557 HB3 MET 74 HB3 MET 74 10.284 -13.508 -7.819 558 HG2 MET 74 HG2 MET 74 9.645 -12.586 -9.926 559 HG3 MET 74 HG3 MET 74 11.334 -12.290 -10.370 560 HE1 MET 74 HE1 MET 74 9.020 -13.815 -12.091 561 HE2 MET 74 HE2 MET 74 10.640 -13.450 -12.728 562 HE3 MET 74 HE3 MET 74 9.982 -15.101 -12.842 563 HA PRO 75 HA PRO 75 8.011 -8.612 -7.984 564 HB2 PRO 75 HB2 PRO 75 7.795 -8.784 -10.969 565 HB3 PRO 75 HB3 PRO 75 7.739 -7.335 -9.910 566 HG2 PRO 75 HG2 PRO 75 9.966 -7.956 -11.343 567 HG3 PRO 75 HG3 PRO 75 10.088 -7.333 -9.664 568 HD2 PRO 75 HD2 PRO 75 10.336 -10.203 -10.627 569 HD3 PRO 75 HD3 PRO 75 11.273 -9.283 -9.412 570 H VAL 76 H VAL 76 5.749 -8.671 -8.050 571 HA VAL 76 HA VAL 76 4.504 -11.328 -8.643 572 HB VAL 76 HB VAL 76 3.852 -9.451 -6.336 573 HG11 VAL 76 HG11 VAL 76 3.284 -12.423 -6.713 574 HG12 VAL 76 HG12 VAL 76 2.770 -11.406 -5.351 575 HG13 VAL 76 HG13 VAL 76 2.101 -11.123 -6.961 576 HG21 VAL 76 HG21 VAL 76 6.163 -10.188 -5.964 577 HG22 VAL 76 HG22 VAL 76 5.072 -10.998 -4.847 578 HG23 VAL 76 HG23 VAL 76 5.694 -11.878 -6.264 579 H ALA 77 H ALA 77 2.488 -11.378 -9.590 580 HA ALA 77 HA ALA 77 1.661 -8.897 -10.915 581 HB1 ALA 77 HB1 ALA 77 0.219 -10.335 -12.242 582 HB2 ALA 77 HB2 ALA 77 1.831 -11.061 -12.120 583 HB3 ALA 77 HB3 ALA 77 0.496 -11.690 -11.134 584 H LYS 78 H LYS 78 -0.149 -7.712 -10.701 585 HA LYS 78 HA LYS 78 -2.321 -8.554 -8.807 586 HB2 LYS 78 HB2 LYS 78 -1.454 -5.698 -9.377 587 HB3 LYS 78 HB3 LYS 78 -2.632 -6.232 -8.190 588 HG2 LYS 78 HG2 LYS 78 0.376 -6.683 -8.102 589 HG3 LYS 78 HG3 LYS 78 -0.531 -5.505 -7.168 590 HD2 LYS 78 HD2 LYS 78 -1.652 -7.222 -5.873 591 HD3 LYS 78 HD3 LYS 78 -0.945 -8.503 -6.865 592 HE2 LYS 78 HE2 LYS 78 1.334 -7.824 -6.141 593 HE3 LYS 78 HE3 LYS 78 0.637 -6.548 -5.134 594 HZ1 LYS 78 HZ1 LYS 78 0.156 -9.453 -4.775 595 HZ2 LYS 78 HZ2 LYS 78 1.143 -8.516 -3.830 596 HZ3 LYS 78 HZ3 LYS 78 -0.493 -8.273 -3.841 597 H LYS 79 H LYS 79 -4.403 -8.217 -9.382 598 HA LYS 79 HA LYS 79 -5.212 -7.141 -12.026 599 HB2 LYS 79 HB2 LYS 79 -6.470 -9.272 -12.439 600 HB3 LYS 79 HB3 LYS 79 -4.740 -9.522 -12.388 601 HG2 LYS 79 HG2 LYS 79 -4.831 -10.520 -10.231 602 HG3 LYS 79 HG3 LYS 79 -6.518 -10.041 -9.970 603 HD2 LYS 79 HD2 LYS 79 -5.647 -11.945 -12.175 604 HD3 LYS 79 HD3 LYS 79 -6.038 -12.465 -10.533 605 HE2 LYS 79 HE2 LYS 79 -8.293 -11.482 -10.715 606 HE3 LYS 79 HE3 LYS 79 -7.969 -10.996 -12.387 607 HZ1 LYS 79 HZ1 LYS 79 -7.926 -13.253 -13.063 608 HZ2 LYS 79 HZ2 LYS 79 -7.672 -13.815 -11.550 609 HZ3 LYS 79 HZ3 LYS 79 -9.148 -13.261 -11.985 610 HA PRO 80 HA PRO 80 -8.861 -6.072 -9.553 611 HB2 PRO 80 HB2 PRO 80 -11.090 -6.985 -10.932 612 HB3 PRO 80 HB3 PRO 80 -10.180 -5.496 -11.335 613 HG2 PRO 80 HG2 PRO 80 -9.848 -8.252 -12.565 614 HG3 PRO 80 HG3 PRO 80 -10.035 -6.675 -13.403 615 HD2 PRO 80 HD2 PRO 80 -7.590 -7.689 -13.063 616 HD3 PRO 80 HD3 PRO 80 -7.875 -5.962 -12.739 617 H GLY 81 H GLY 81 -9.535 -7.022 -7.745 618 HA2 GLY 81 HA2 GLY 81 -10.190 -8.675 -6.244 619 HA3 GLY 81 HA3 GLY 81 -10.109 -9.909 -7.505 620 H SER 82 H SER 82 -7.479 -7.627 -6.533 621 HA SER 82 HA SER 82 -5.888 -9.986 -5.491 622 HB2 SER 82 HB2 SER 82 -4.786 -7.567 -6.965 623 HB3 SER 82 HB3 SER 82 -3.834 -8.854 -6.211 624 HG SER 82 HG SER 82 -4.953 -10.326 -7.682 625 H THR 83 H THR 83 -4.427 -9.512 -3.639 626 HA THR 83 HA THR 83 -5.134 -6.950 -2.281 627 HB THR 83 HB THR 83 -4.312 -7.968 -0.222 628 HG1 THR 83 HG1 THR 83 -3.088 -9.588 -0.635 629 HG21 THR 83 HG21 THR 83 -6.235 -9.469 0.114 630 HG22 THR 83 HG22 THR 83 -6.701 -7.976 -0.709 631 HG23 THR 83 HG23 THR 83 -6.546 -9.484 -1.637 632 H VAL 84 H VAL 84 -3.652 -5.680 -1.263 633 HA VAL 84 HA VAL 84 -0.800 -5.901 -2.090 634 HB VAL 84 HB VAL 84 -0.807 -3.423 -2.517 635 HG11 VAL 84 HG11 VAL 84 -1.668 -3.595 -4.812 636 HG12 VAL 84 HG12 VAL 84 -0.705 -5.006 -4.354 637 HG13 VAL 84 HG13 VAL 84 -2.477 -5.124 -4.405 638 HG21 VAL 84 HG21 VAL 84 -2.983 -2.856 -1.433 639 HG22 VAL 84 HG22 VAL 84 -2.871 -2.288 -3.102 640 HG23 VAL 84 HG23 VAL 84 -3.836 -3.727 -2.729 641 H ILE 85 H ILE 85 0.669 -4.677 -0.849 642 HA ILE 85 HA ILE 85 -0.279 -3.907 1.862 643 HB ILE 85 HB ILE 85 2.151 -4.768 2.545 644 HG12 ILE 85 HG12 ILE 85 2.606 -7.003 1.617 645 HG13 ILE 85 HG13 ILE 85 1.351 -6.798 0.404 646 HG21 ILE 85 HG21 ILE 85 -0.296 -6.548 2.342 647 HG22 ILE 85 HG22 ILE 85 1.090 -6.787 3.421 648 HG23 ILE 85 HG23 ILE 85 0.053 -5.374 3.639 649 HD11 ILE 85 HD11 ILE 85 3.692 -6.377 -0.420 650 HD12 ILE 85 HD12 ILE 85 2.588 -5.010 -0.663 651 HD13 ILE 85 HD13 ILE 85 3.766 -4.958 0.655 652 H ALA 86 H ALA 86 0.650 -2.305 2.953 653 HA ALA 86 HA ALA 86 1.495 -0.072 1.488 654 HB1 ALA 86 HB1 ALA 86 1.829 -0.653 4.462 655 HB2 ALA 86 HB2 ALA 86 1.832 0.952 3.695 656 HB3 ALA 86 HB3 ALA 86 0.364 -0.037 3.697 657 H GLY 87 H GLY 87 3.429 0.988 1.220 658 HA2 GLY 87 HA2 GLY 87 5.725 1.421 1.314 659 HA3 GLY 87 HA3 GLY 87 5.945 0.037 2.391 660 H SER 88 H SER 88 4.322 -1.323 -0.126 661 HA SER 88 HA SER 88 6.747 -2.192 -1.567 662 HB2 SER 88 HB2 SER 88 5.298 -3.693 -2.774 663 HB3 SER 88 HB3 SER 88 5.076 -3.878 -1.034 664 HG SER 88 HG SER 88 3.092 -2.823 -1.201 665 H ILE 89 H ILE 89 6.770 -2.150 -3.943 666 HA ILE 89 HA ILE 89 5.945 0.549 -4.911 667 HB ILE 89 HB ILE 89 8.118 -1.056 -6.223 668 HG12 ILE 89 HG12 ILE 89 8.848 -1.173 -3.918 669 HG13 ILE 89 HG13 ILE 89 9.865 -0.114 -4.865 670 HG21 ILE 89 HG21 ILE 89 7.552 1.923 -5.856 671 HG22 ILE 89 HG22 ILE 89 8.977 1.255 -6.681 672 HG23 ILE 89 HG23 ILE 89 7.357 0.968 -7.334 673 HD11 ILE 89 HD11 ILE 89 9.404 0.718 -2.569 674 HD12 ILE 89 HD12 ILE 89 8.940 1.864 -3.834 675 HD13 ILE 89 HD13 ILE 89 7.696 0.915 -2.984 676 H ASN 90 H ASN 90 4.699 0.816 -6.669 677 HA ASN 90 HA ASN 90 3.706 -1.542 -8.172 678 HB2 ASN 90 HB2 ASN 90 2.106 0.104 -7.103 679 HB3 ASN 90 HB3 ASN 90 2.801 1.377 -8.096 680 HD21 ASN 90 HD22 ASN 90 1.868 1.661 -10.092 681 HD22 ASN 90 HD21 ASN 90 0.652 0.563 -10.726 682 H GLN 91 H GLN 91 4.210 -1.883 -10.327 683 HA GLN 91 HA GLN 91 6.328 -0.173 -11.408 684 HB2 GLN 91 HB2 GLN 91 5.318 -2.894 -12.253 685 HB3 GLN 91 HB3 GLN 91 6.598 -2.017 -13.083 686 HG2 GLN 91 HG2 GLN 91 6.702 -2.813 -10.136 687 HG3 GLN 91 HG3 GLN 91 7.477 -3.679 -11.462 688 HE21 GLN 91 HE22 GLN 91 9.184 -2.513 -12.706 689 HE22 GLN 91 HE21 GLN 91 10.134 -1.291 -11.881 690 H ASN 92 H ASN 92 4.377 -1.678 -13.902 691 HA ASN 92 HA ASN 92 4.542 0.893 -15.218 692 HB2 ASN 92 HB2 ASN 92 5.242 -1.107 -16.362 693 HB3 ASN 92 HB3 ASN 92 3.683 -1.887 -16.099 694 HD21 ASN 92 HD22 ASN 92 2.041 -1.539 -17.550 695 HD22 ASN 92 HD21 ASN 92 2.113 -0.328 -18.839 696 H GLY 93 H GLY 93 1.693 -1.106 -14.270 697 HA2 GLY 93 HA2 GLY 93 -0.105 0.808 -15.631 698 HA3 GLY 93 HA3 GLY 93 -0.543 -0.743 -14.941 699 H SER 94 H SER 94 -1.541 2.199 -14.638 700 HA SER 94 HA SER 94 -1.471 2.465 -11.717 701 HB2 SER 94 HB2 SER 94 -3.008 4.369 -12.060 702 HB3 SER 94 HB3 SER 94 -1.480 4.500 -12.938 703 HG SER 94 HG SER 94 -3.280 5.102 -14.190 704 H LEU 95 H LEU 95 -3.024 1.973 -10.265 705 HA LEU 95 HA LEU 95 -5.353 0.305 -11.187 706 HB2 LEU 95 HB2 LEU 95 -3.610 -0.261 -8.791 707 HB3 LEU 95 HB3 LEU 95 -4.865 -1.279 -9.448 708 HG LEU 95 HG LEU 95 -2.165 -0.684 -10.741 709 HD11 LEU 95 HD11 LEU 95 -1.676 -3.047 -10.089 710 HD12 LEU 95 HD12 LEU 95 -1.882 -1.977 -8.699 711 HD13 LEU 95 HD13 LEU 95 -3.191 -3.088 -9.170 712 HD21 LEU 95 HD21 LEU 95 -2.727 -2.494 -12.227 713 HD22 LEU 95 HD22 LEU 95 -4.286 -2.765 -11.404 714 HD23 LEU 95 HD23 LEU 95 -3.995 -1.275 -12.330 715 H LEU 96 H LEU 96 -7.079 0.055 -9.686 716 HA LEU 96 HA LEU 96 -7.443 2.362 -7.814 717 HB2 LEU 96 HB2 LEU 96 -9.420 0.606 -9.295 718 HB3 LEU 96 HB3 LEU 96 -9.887 1.531 -7.897 719 HG LEU 96 HG LEU 96 -10.538 2.655 -9.927 720 HD11 LEU 96 HD11 LEU 96 -9.759 4.866 -9.369 721 HD12 LEU 96 HD12 LEU 96 -9.956 3.940 -7.875 722 HD13 LEU 96 HD13 LEU 96 -8.331 4.215 -8.533 723 HD21 LEU 96 HD21 LEU 96 -8.681 1.974 -11.446 724 HD22 LEU 96 HD22 LEU 96 -9.013 3.703 -11.461 725 HD23 LEU 96 HD23 LEU 96 -7.598 3.085 -10.583 726 H ILE 97 H ILE 97 -7.209 2.016 -5.745 727 HA ILE 97 HA ILE 97 -7.380 -0.763 -4.674 728 HB ILE 97 HB ILE 97 -5.908 1.528 -3.376 729 HG12 ILE 97 HG12 ILE 97 -4.919 1.508 -5.577 730 HG13 ILE 97 HG13 ILE 97 -3.812 0.919 -4.357 731 HG21 ILE 97 HG21 ILE 97 -5.611 -1.494 -3.217 732 HG22 ILE 97 HG22 ILE 97 -4.575 -0.314 -2.384 733 HG23 ILE 97 HG23 ILE 97 -6.292 -0.424 -1.982 734 HD11 ILE 97 HD11 ILE 97 -5.390 -0.884 -6.241 735 HD12 ILE 97 HD12 ILE 97 -3.700 -0.396 -6.446 736 HD13 ILE 97 HD13 ILE 97 -4.165 -1.386 -5.052 737 H CYS 98 H CYS 98 -8.958 -1.226 -3.203 738 HA CYS 98 HA CYS 98 -10.459 0.942 -1.824 739 HB2 CYS 98 HB2 CYS 98 -10.662 -2.094 -1.675 740 HB3 CYS 98 HB3 CYS 98 -11.688 -0.964 -0.778 741 HG CYS 98 HG CYS 98 -12.661 0.237 -2.924 742 H ALA 99 H ALA 99 -9.595 1.835 0.032 743 HA ALA 99 HA ALA 99 -7.526 0.421 1.535 744 HB1 ALA 99 HB1 ALA 99 -9.030 3.033 2.012 745 HB2 ALA 99 HB2 ALA 99 -7.653 2.449 2.963 746 HB3 ALA 99 HB3 ALA 99 -7.434 2.856 1.248 747 H THR 100 H THR 100 -8.090 -1.239 2.850 748 HA THR 100 HA THR 100 -10.611 -1.067 4.457 749 HB THR 100 HB THR 100 -10.265 -3.504 4.837 750 HG1 THR 100 HG1 THR 100 -8.761 -4.574 3.691 751 HG21 THR 100 HG21 THR 100 -10.295 -2.756 1.880 752 HG22 THR 100 HG22 THR 100 -10.915 -4.252 2.610 753 HG23 THR 100 HG23 THR 100 -11.704 -2.705 2.965 754 H HIS 101 H HIS 101 -7.393 -0.313 4.883 755 HA HIS 101 HA HIS 101 -7.718 -0.499 7.819 756 HB2 HIS 101 HB2 HIS 101 -5.147 -0.994 6.267 757 HB3 HIS 101 HB3 HIS 101 -5.335 -1.022 8.018 758 HD1 HIS 101 HD1 HIS 101 -6.200 -3.109 4.909 759 HD2 HIS 101 HD2 HIS 101 -6.258 -3.274 9.117 760 HE1 HIS 101 HE1 HIS 101 -6.740 -5.531 5.527 761 H VAL 102 H VAL 102 -7.111 1.345 8.934 762 HA VAL 102 HA VAL 102 -5.993 3.656 7.437 763 HB VAL 102 HB VAL 102 -5.957 4.790 9.669 764 HG11 VAL 102 HG11 VAL 102 -8.658 3.748 8.735 765 HG12 VAL 102 HG12 VAL 102 -8.364 5.212 9.704 766 HG13 VAL 102 HG13 VAL 102 -7.751 5.118 8.045 767 HG21 VAL 102 HG21 VAL 102 -5.959 2.750 11.130 768 HG22 VAL 102 HG22 VAL 102 -7.215 3.933 11.532 769 HG23 VAL 102 HG23 VAL 102 -7.649 2.465 10.649 770 H GLY 103 H GLY 103 -3.899 4.724 8.420 771 HA2 GLY 103 HA2 GLY 103 -1.877 2.860 7.668 772 HA3 GLY 103 HA3 GLY 103 -1.645 4.464 8.296 773 H ALA 104 H ALA 104 -2.859 4.073 10.897 774 HA ALA 104 HA ALA 104 -0.724 2.774 12.327 775 HB1 ALA 104 HB1 ALA 104 -3.433 3.791 13.278 776 HB2 ALA 104 HB2 ALA 104 -2.033 3.410 14.302 777 HB3 ALA 104 HB3 ALA 104 -1.942 4.755 13.149 778 H ASP 105 H ASP 105 -3.827 1.619 11.236 779 HA ASP 105 HA ASP 105 -3.801 -0.806 12.901 780 HB2 ASP 105 HB2 ASP 105 -5.908 0.474 12.400 781 HB3 ASP 105 HB3 ASP 105 -5.755 -0.058 10.723 782 H THR 106 H THR 106 -2.218 0.056 10.093 783 HA THR 106 HA THR 106 -2.750 -2.010 8.248 784 HB THR 106 HB THR 106 -0.435 -1.531 7.333 785 HG1 THR 106 HG1 THR 106 -0.199 0.643 8.990 786 HG21 THR 106 HG21 THR 106 -0.886 0.830 6.719 787 HG22 THR 106 HG22 THR 106 -2.212 -0.313 6.405 788 HG23 THR 106 HG23 THR 106 -2.307 0.762 7.795 789 H THR 107 H THR 107 -1.576 -3.814 7.512 790 HA THR 107 HA THR 107 -0.515 -5.663 9.409 791 HB THR 107 HB THR 107 0.158 -5.520 6.442 792 HG1 THR 107 HG1 THR 107 -1.706 -6.927 6.321 793 HG21 THR 107 HG21 THR 107 0.248 -7.970 6.592 794 HG22 THR 107 HG22 THR 107 1.414 -7.258 7.705 795 HG23 THR 107 HG23 THR 107 -0.115 -7.898 8.335 796 H LEU 108 H LEU 108 1.069 -3.160 7.450 797 HA LEU 108 HA LEU 108 3.768 -3.951 7.864 798 HB2 LEU 108 HB2 LEU 108 2.618 -2.256 6.195 799 HB3 LEU 108 HB3 LEU 108 2.819 -1.089 7.496 800 HG LEU 108 HG LEU 108 5.334 -1.731 7.463 801 HD11 LEU 108 HD11 LEU 108 4.415 -2.932 4.809 802 HD12 LEU 108 HD12 LEU 108 6.097 -2.580 5.235 803 HD13 LEU 108 HD13 LEU 108 5.197 -3.818 6.138 804 HD21 LEU 108 HD21 LEU 108 5.742 -0.312 5.452 805 HD22 LEU 108 HD22 LEU 108 4.018 -0.424 5.052 806 HD23 LEU 108 HD23 LEU 108 4.544 0.324 6.588 807 H SER 109 H SER 109 1.687 -1.695 9.711 808 HA SER 109 HA SER 109 3.692 -1.227 11.773 809 HB2 SER 109 HB2 SER 109 1.878 -0.116 12.986 810 HB3 SER 109 HB3 SER 109 2.121 0.513 11.346 811 HG SER 109 HG SER 109 0.309 -0.540 10.654 812 H GLN 110 H GLN 110 1.348 -3.772 11.186 813 HA GLN 110 HA GLN 110 1.171 -4.689 13.928 814 HB2 GLN 110 HB2 GLN 110 -0.413 -5.166 11.905 815 HB3 GLN 110 HB3 GLN 110 0.745 -6.406 11.471 816 HG2 GLN 110 HG2 GLN 110 -0.761 -7.587 12.735 817 HG3 GLN 110 HG3 GLN 110 0.485 -7.242 13.929 818 HE21 GLN 110 HE22 GLN 110 -2.624 -6.075 12.617 819 HE22 GLN 110 HE21 GLN 110 -3.107 -5.210 14.068 820 H ILE 111 H ILE 111 3.214 -5.505 11.147 821 HA ILE 111 HA ILE 111 4.770 -7.583 12.287 822 HB ILE 111 HB ILE 111 5.440 -5.507 10.175 823 HG12 ILE 111 HG12 ILE 111 4.888 -8.495 9.871 824 HG13 ILE 111 HG13 ILE 111 3.607 -7.299 9.802 825 HG21 ILE 111 HG21 ILE 111 7.359 -6.978 9.530 826 HG22 ILE 111 HG22 ILE 111 7.589 -6.270 11.117 827 HG23 ILE 111 HG23 ILE 111 7.069 -7.966 10.971 828 HD11 ILE 111 HD11 ILE 111 4.759 -6.176 7.885 829 HD12 ILE 111 HD12 ILE 111 5.948 -7.502 7.871 830 HD13 ILE 111 HD13 ILE 111 4.241 -7.841 7.553 831 H VAL 112 H VAL 112 5.626 -4.022 12.271 832 HA VAL 112 HA VAL 112 7.854 -4.458 13.997 833 HB VAL 112 HB VAL 112 7.953 -2.106 14.452 834 HG11 VAL 112 HG11 VAL 112 7.154 -2.552 11.558 835 HG12 VAL 112 HG12 VAL 112 8.227 -1.287 12.207 836 HG13 VAL 112 HG13 VAL 112 8.732 -2.981 12.257 837 HG21 VAL 112 HG21 VAL 112 5.567 -1.534 14.761 838 HG22 VAL 112 HG22 VAL 112 6.343 -0.491 13.574 839 HG23 VAL 112 HG23 VAL 112 5.291 -1.814 13.028 840 H LYS 113 H LYS 113 4.466 -4.246 14.850 841 HA LYS 113 HA LYS 113 4.957 -3.704 17.684 842 HB2 LYS 113 HB2 LYS 113 2.555 -4.728 16.170 843 HB3 LYS 113 HB3 LYS 113 2.619 -4.751 17.937 844 HG2 LYS 113 HG2 LYS 113 3.092 -2.336 18.007 845 HG3 LYS 113 HG3 LYS 113 3.037 -2.247 16.246 846 HD2 LYS 113 HD2 LYS 113 0.703 -3.074 18.035 847 HD3 LYS 113 HD3 LYS 113 0.951 -1.448 17.369 848 HE2 LYS 113 HE2 LYS 113 0.912 -2.363 15.074 849 HE3 LYS 113 HE3 LYS 113 0.658 -3.983 15.731 850 HZ1 LYS 113 HZ1 LYS 113 -1.278 -1.740 16.105 851 HZ2 LYS 113 HZ2 LYS 113 -1.431 -2.944 15.012 852 HZ3 LYS 113 HZ3 LYS 113 -1.462 -3.267 16.627 853 H LEU 114 H LEU 114 4.745 -6.646 15.670 854 HA LEU 114 HA LEU 114 4.979 -8.486 17.887 855 HB2 LEU 114 HB2 LEU 114 4.175 -8.650 15.270 856 HB3 LEU 114 HB3 LEU 114 5.788 -9.338 15.130 857 HG LEU 114 HG LEU 114 3.554 -10.264 16.975 858 HD11 LEU 114 HD11 LEU 114 4.688 -11.503 14.429 859 HD12 LEU 114 HD12 LEU 114 3.423 -12.207 15.463 860 HD13 LEU 114 HD13 LEU 114 3.106 -10.704 14.591 861 HD21 LEU 114 HD21 LEU 114 5.001 -12.305 17.275 862 HD22 LEU 114 HD22 LEU 114 6.305 -11.450 16.417 863 HD23 LEU 114 HD23 LEU 114 5.701 -10.843 17.980 864 H VAL 115 H VAL 115 7.338 -7.231 15.482 865 HA VAL 115 HA VAL 115 9.557 -8.753 16.574 866 HB VAL 115 HB VAL 115 9.578 -6.404 14.653 867 HG11 VAL 115 HG11 VAL 115 11.734 -8.465 15.328 868 HG12 VAL 115 HG12 VAL 115 11.801 -7.332 13.951 869 HG13 VAL 115 HG13 VAL 115 11.834 -6.718 15.601 870 HG21 VAL 115 HG21 VAL 115 9.847 -8.165 12.923 871 HG22 VAL 115 HG22 VAL 115 9.672 -9.421 14.169 872 HG23 VAL 115 HG23 VAL 115 8.317 -8.351 13.770 873 H GLU 116 H GLU 116 8.194 -5.700 17.521 874 HA GLU 116 HA GLU 116 10.615 -4.701 18.865 875 HB2 GLU 116 HB2 GLU 116 8.867 -3.184 17.981 876 HB3 GLU 116 HB3 GLU 116 7.711 -3.827 19.159 877 HG2 GLU 116 HG2 GLU 116 9.041 -2.934 20.992 878 HG3 GLU 116 HG3 GLU 116 10.358 -2.506 19.892 879 H GLU 117 H GLU 117 7.999 -6.921 19.658 880 HA GLU 117 HA GLU 117 8.260 -6.753 22.550 881 HB2 GLU 117 HB2 GLU 117 7.051 -8.913 20.789 882 HB3 GLU 117 HB3 GLU 117 6.864 -8.801 22.526 883 HG2 GLU 117 HG2 GLU 117 6.035 -6.297 21.212 884 HG3 GLU 117 HG3 GLU 117 5.196 -7.705 20.552 885 H ALA 118 H ALA 118 10.237 -8.337 20.126 886 HA ALA 118 HA ALA 118 10.998 -10.614 21.772 887 HB1 ALA 118 HB1 ALA 118 11.001 -10.901 19.424 888 HB2 ALA 118 HB2 ALA 118 12.020 -9.478 19.155 889 HB3 ALA 118 HB3 ALA 118 12.695 -10.927 19.940 890 H GLN 119 H GLN 119 13.028 -7.912 20.585 891 HA GLN 119 HA GLN 119 15.064 -8.241 22.373 892 HB2 GLN 119 HB2 GLN 119 14.250 -5.675 21.002 893 HB3 GLN 119 HB3 GLN 119 15.791 -5.958 21.741 894 HG2 GLN 119 HG2 GLN 119 16.100 -6.237 19.419 895 HG3 GLN 119 HG3 GLN 119 16.221 -7.861 20.154 896 HE21 GLN 119 HE22 GLN 119 13.721 -5.606 18.934 897 HE22 GLN 119 HE21 GLN 119 12.778 -6.917 18.256 Start of MODEL 30 1 H SER 1 H SER 1 16.691 -7.799 14.510 2 HA SER 1 HA SER 1 15.763 -5.300 14.767 3 HB2 SER 1 HB2 SER 1 18.509 -6.175 15.702 4 HB3 SER 1 HB3 SER 1 17.641 -4.756 16.297 5 HG SER 1 HG SER 1 16.938 -7.497 16.542 6 H GLU 2 H GLU 2 18.049 -5.779 12.233 7 HA GLU 2 HA GLU 2 18.662 -2.846 12.109 8 HB2 GLU 2 HB2 GLU 2 20.568 -4.352 12.037 9 HB3 GLU 2 HB3 GLU 2 19.937 -5.153 10.607 10 HG2 GLU 2 HG2 GLU 2 20.282 -2.172 10.445 11 HG3 GLU 2 HG3 GLU 2 21.748 -3.127 10.607 12 H ALA 3 H ALA 3 17.205 -5.487 10.344 13 HA ALA 3 HA ALA 3 16.099 -3.912 8.158 14 HB1 ALA 3 HB1 ALA 3 16.283 -6.391 8.111 15 HB2 ALA 3 HB2 ALA 3 15.012 -6.484 9.352 16 HB3 ALA 3 HB3 ALA 3 14.640 -5.817 7.753 17 H LEU 4 H LEU 4 14.801 -4.824 11.326 18 HA LEU 4 HA LEU 4 12.347 -3.971 11.606 19 HB2 LEU 4 HB2 LEU 4 13.973 -4.756 13.374 20 HB3 LEU 4 HB3 LEU 4 14.573 -3.112 13.489 21 HG LEU 4 HG LEU 4 12.228 -2.412 14.238 22 HD11 LEU 4 HD11 LEU 4 11.999 -5.434 14.553 23 HD12 LEU 4 HD12 LEU 4 10.871 -4.235 15.224 24 HD13 LEU 4 HD13 LEU 4 11.021 -4.437 13.460 25 HD21 LEU 4 HD21 LEU 4 14.136 -2.678 15.789 26 HD22 LEU 4 HD22 LEU 4 12.615 -3.185 16.532 27 HD23 LEU 4 HD23 LEU 4 13.767 -4.409 15.952 28 H ALA 5 H ALA 5 14.845 -1.538 10.965 29 HA ALA 5 HA ALA 5 13.228 0.759 11.826 30 HB1 ALA 5 HB1 ALA 5 15.674 0.788 12.035 31 HB2 ALA 5 HB2 ALA 5 15.847 0.540 10.281 32 HB3 ALA 5 HB3 ALA 5 15.130 2.035 10.901 33 H LYS 6 H LYS 6 13.859 -0.995 8.860 34 HA LYS 6 HA LYS 6 13.145 1.087 6.995 35 HB2 LYS 6 HB2 LYS 6 13.464 -1.929 6.690 36 HB3 LYS 6 HB3 LYS 6 12.945 -0.906 5.363 37 HG2 LYS 6 HG2 LYS 6 15.257 -1.273 5.105 38 HG3 LYS 6 HG3 LYS 6 15.020 0.425 5.523 39 HD2 LYS 6 HD2 LYS 6 15.788 0.008 7.809 40 HD3 LYS 6 HD3 LYS 6 15.881 -1.739 7.492 41 HE2 LYS 6 HE2 LYS 6 17.665 -1.425 5.887 42 HE3 LYS 6 HE3 LYS 6 17.448 0.333 5.909 43 HZ1 LYS 6 HZ1 LYS 6 18.169 0.369 8.204 44 HZ2 LYS 6 HZ2 LYS 6 18.431 -1.284 8.196 45 HZ3 LYS 6 HZ3 LYS 6 19.331 -0.296 7.272 46 H LEU 7 H LEU 7 11.150 -1.340 8.562 47 HA LEU 7 HA LEU 7 8.832 -1.373 7.022 48 HB2 LEU 7 HB2 LEU 7 9.293 -1.443 10.034 49 HB3 LEU 7 HB3 LEU 7 7.700 -1.669 9.346 50 HG LEU 7 HG LEU 7 8.780 -3.764 10.011 51 HD11 LEU 7 HD11 LEU 7 8.234 -5.055 8.013 52 HD12 LEU 7 HD12 LEU 7 7.047 -3.775 8.291 53 HD13 LEU 7 HD13 LEU 7 8.279 -3.588 7.015 54 HD21 LEU 7 HD21 LEU 7 11.135 -3.233 9.395 55 HD22 LEU 7 HD22 LEU 7 10.568 -4.784 8.764 56 HD23 LEU 7 HD23 LEU 7 10.684 -3.395 7.673 57 H ILE 8 H ILE 8 9.835 1.112 9.349 58 HA ILE 8 HA ILE 8 7.404 2.701 9.093 59 HB ILE 8 HB ILE 8 10.058 3.181 10.449 60 HG12 ILE 8 HG12 ILE 8 8.834 1.405 11.495 61 HG13 ILE 8 HG13 ILE 8 8.726 2.824 12.524 62 HG21 ILE 8 HG21 ILE 8 7.556 4.900 10.580 63 HG22 ILE 8 HG22 ILE 8 8.957 5.041 11.655 64 HG23 ILE 8 HG23 ILE 8 9.140 5.375 9.934 65 HD11 ILE 8 HD11 ILE 8 6.377 3.198 11.549 66 HD12 ILE 8 HD12 ILE 8 6.540 1.610 10.771 67 HD13 ILE 8 HD13 ILE 8 6.581 1.743 12.534 68 H SER 9 H SER 9 10.584 2.706 7.500 69 HA SER 9 HA SER 9 10.341 5.383 6.434 70 HB2 SER 9 HB2 SER 9 12.145 3.065 5.639 71 HB3 SER 9 HB3 SER 9 12.269 4.722 5.027 72 HG SER 9 HG SER 9 13.651 4.666 6.654 73 H LEU 10 H LEU 10 9.601 2.132 5.061 74 HA LEU 10 HA LEU 10 9.437 3.011 2.333 75 HB2 LEU 10 HB2 LEU 10 8.627 0.536 3.878 76 HB3 LEU 10 HB3 LEU 10 7.962 0.787 2.282 77 HG LEU 10 HG LEU 10 10.329 1.065 1.386 78 HD11 LEU 10 HD11 LEU 10 11.008 -0.300 4.021 79 HD12 LEU 10 HD12 LEU 10 12.121 -0.012 2.665 80 HD13 LEU 10 HD13 LEU 10 11.493 1.361 3.588 81 HD21 LEU 10 HD21 LEU 10 10.676 -1.404 1.334 82 HD22 LEU 10 HD22 LEU 10 9.438 -1.581 2.607 83 HD23 LEU 10 HD23 LEU 10 9.001 -0.949 1.010 84 H GLN 11 H GLN 11 7.159 3.515 4.850 85 HA GLN 11 HA GLN 11 4.726 3.152 3.375 86 HB2 GLN 11 HB2 GLN 11 5.406 4.389 6.027 87 HB3 GLN 11 HB3 GLN 11 3.752 4.318 5.396 88 HG2 GLN 11 HG2 GLN 11 3.924 1.877 5.064 89 HG3 GLN 11 HG3 GLN 11 5.549 1.891 5.777 90 HE21 GLN 11 HE22 GLN 11 5.593 1.440 7.930 91 HE22 GLN 11 HE21 GLN 11 4.227 1.849 8.988 92 H ALA 12 H ALA 12 3.382 4.601 2.328 93 HA ALA 12 HA ALA 12 4.674 7.051 1.392 94 HB1 ALA 12 HB1 ALA 12 3.051 7.068 -0.349 95 HB2 ALA 12 HB2 ALA 12 3.647 5.408 -0.136 96 HB3 ALA 12 HB3 ALA 12 2.051 5.866 0.480 97 H THR 13 H THR 13 4.084 9.108 1.662 98 HA THR 13 HA THR 13 2.450 9.736 3.992 99 HB THR 13 HB THR 13 3.894 11.772 2.311 100 HG1 THR 13 HG1 THR 13 5.109 10.017 4.179 101 HG21 THR 13 HG21 THR 13 4.504 12.680 4.553 102 HG22 THR 13 HG22 THR 13 2.759 12.627 4.286 103 HG23 THR 13 HG23 THR 13 3.527 11.397 5.311 104 H GLU 14 H GLU 14 1.743 9.705 0.672 105 HA GLU 14 HA GLU 14 -0.692 11.352 1.109 106 HB2 GLU 14 HB2 GLU 14 -0.412 12.485 -0.979 107 HB3 GLU 14 HB3 GLU 14 0.974 12.806 0.044 108 HG2 GLU 14 HG2 GLU 14 0.960 10.733 -2.206 109 HG3 GLU 14 HG3 GLU 14 1.413 12.413 -2.425 110 H ALA 15 H ALA 15 -2.345 11.141 -0.493 111 HA ALA 15 HA ALA 15 -2.399 8.681 -2.123 112 HB1 ALA 15 HB1 ALA 15 -3.280 8.029 0.115 113 HB2 ALA 15 HB2 ALA 15 -4.481 9.332 0.017 114 HB3 ALA 15 HB3 ALA 15 -4.544 7.976 -1.127 115 H THR 16 H THR 16 -4.173 8.669 -3.598 116 HA THR 16 HA THR 16 -5.525 11.317 -4.092 117 HB THR 16 HB THR 16 -4.928 9.221 -6.190 118 HG1 THR 16 HG1 THR 16 -3.650 11.163 -6.898 119 HG21 THR 16 HG21 THR 16 -6.960 10.607 -6.665 120 HG22 THR 16 HG22 THR 16 -5.997 12.077 -6.412 121 HG23 THR 16 HG23 THR 16 -5.637 10.977 -7.764 122 H ILE 17 H ILE 17 -7.519 11.306 -3.281 123 HA ILE 17 HA ILE 17 -9.169 8.831 -3.193 124 HB ILE 17 HB ILE 17 -9.825 11.625 -2.172 125 HG12 ILE 17 HG12 ILE 17 -8.874 9.197 -0.607 126 HG13 ILE 17 HG13 ILE 17 -7.932 10.650 -0.917 127 HG21 ILE 17 HG21 ILE 17 -11.217 8.947 -1.669 128 HG22 ILE 17 HG22 ILE 17 -11.698 10.518 -0.996 129 HG23 ILE 17 HG23 ILE 17 -11.840 10.247 -2.711 130 HD11 ILE 17 HD11 ILE 17 -8.764 10.745 1.335 131 HD12 ILE 17 HD12 ILE 17 -9.639 11.968 0.386 132 HD13 ILE 17 HD13 ILE 17 -10.418 10.426 0.824 133 H VAL 18 H VAL 18 -10.761 8.406 -4.697 134 HA VAL 18 HA VAL 18 -11.449 10.620 -6.595 135 HB VAL 18 HB VAL 18 -11.077 7.738 -7.422 136 HG11 VAL 18 HG11 VAL 18 -11.058 8.755 -9.691 137 HG12 VAL 18 HG12 VAL 18 -12.583 9.060 -8.843 138 HG13 VAL 18 HG13 VAL 18 -11.384 10.346 -8.969 139 HG21 VAL 18 HG21 VAL 18 -9.117 10.049 -7.569 140 HG22 VAL 18 HG22 VAL 18 -8.874 8.468 -6.806 141 HG23 VAL 18 HG23 VAL 18 -8.988 8.581 -8.565 142 H THR 19 H THR 19 -13.478 11.059 -6.870 143 HA THR 19 HA THR 19 -15.630 9.174 -5.998 144 HB THR 19 HB THR 19 -15.749 12.098 -6.796 145 HG1 THR 19 HG1 THR 19 -15.018 11.771 -4.738 146 HG21 THR 19 HG21 THR 19 -17.954 10.147 -5.994 147 HG22 THR 19 HG22 THR 19 -18.129 11.918 -5.998 148 HG23 THR 19 HG23 THR 19 -17.844 11.065 -7.517 149 H LEU 20 H LEU 20 -16.729 7.994 -7.379 150 HA LEU 20 HA LEU 20 -16.267 8.340 -10.313 151 HB2 LEU 20 HB2 LEU 20 -16.407 5.826 -8.617 152 HB3 LEU 20 HB3 LEU 20 -16.212 5.878 -10.364 153 HG LEU 20 HG LEU 20 -14.215 7.016 -8.358 154 HD11 LEU 20 HD11 LEU 20 -14.345 4.521 -8.373 155 HD12 LEU 20 HD12 LEU 20 -13.948 4.548 -10.109 156 HD13 LEU 20 HD13 LEU 20 -12.795 5.177 -8.926 157 HD21 LEU 20 HD21 LEU 20 -12.727 7.084 -10.401 158 HD22 LEU 20 HD22 LEU 20 -14.159 6.752 -11.389 159 HD23 LEU 20 HD23 LEU 20 -14.055 8.245 -10.429 160 H ASP 21 H ASP 21 -18.665 8.731 -8.266 161 HA ASP 21 HA ASP 21 -20.858 8.029 -7.997 162 HB2 ASP 21 HB2 ASP 21 -20.449 10.375 -8.986 163 HB3 ASP 21 HB3 ASP 21 -21.143 9.724 -10.463 164 H SER 22 H SER 22 -21.637 8.268 -11.447 165 HA SER 22 HA SER 22 -23.132 6.543 -12.059 166 HB2 SER 22 HB2 SER 22 -20.540 6.670 -13.617 167 HB3 SER 22 HB3 SER 22 -22.129 6.243 -14.268 168 HG SER 22 HG SER 22 -22.832 8.346 -13.888 169 H ASP 23 H ASP 23 -19.762 5.292 -11.628 170 HA ASP 23 HA ASP 23 -20.542 2.774 -10.678 171 HB2 ASP 23 HB2 ASP 23 -21.248 2.190 -12.946 172 HB3 ASP 23 HB3 ASP 23 -19.744 2.790 -13.621 173 H ASN 24 H ASN 24 -17.846 2.866 -12.908 174 HA ASN 24 HA ASN 24 -15.950 3.787 -10.820 175 HB2 ASN 24 HB2 ASN 24 -16.169 1.329 -11.659 176 HB3 ASN 24 HB3 ASN 24 -15.452 1.862 -13.156 177 HD21 ASN 24 HD22 ASN 24 -14.815 0.776 -9.984 178 HD22 ASN 24 HD21 ASN 24 -13.089 0.868 -10.295 179 H ILE 25 H ILE 25 -17.397 5.221 -13.363 180 HA ILE 25 HA ILE 25 -14.990 5.919 -14.921 181 HB ILE 25 HB ILE 25 -16.597 6.330 -16.720 182 HG12 ILE 25 HG12 ILE 25 -18.745 5.314 -14.788 183 HG13 ILE 25 HG13 ILE 25 -18.561 6.998 -15.275 184 HG21 ILE 25 HG21 ILE 25 -17.017 3.609 -15.412 185 HG22 ILE 25 HG22 ILE 25 -17.067 3.998 -17.143 186 HG23 ILE 25 HG23 ILE 25 -15.539 4.098 -16.265 187 HD11 ILE 25 HD11 ILE 25 -19.289 4.667 -17.086 188 HD12 ILE 25 HD12 ILE 25 -20.314 6.022 -16.586 189 HD13 ILE 25 HD13 ILE 25 -18.930 6.314 -17.658 190 H LEU 26 H LEU 26 -17.107 7.630 -12.757 191 HA LEU 26 HA LEU 26 -17.227 9.986 -14.317 192 HB2 LEU 26 HB2 LEU 26 -18.726 9.437 -12.386 193 HB3 LEU 26 HB3 LEU 26 -17.405 9.889 -11.297 194 HG LEU 26 HG LEU 26 -17.418 12.196 -12.207 195 HD11 LEU 26 HD11 LEU 26 -19.871 11.235 -13.754 196 HD12 LEU 26 HD12 LEU 26 -19.372 12.927 -13.562 197 HD13 LEU 26 HD13 LEU 26 -18.349 11.829 -14.476 198 HD21 LEU 26 HD21 LEU 26 -18.842 11.468 -10.249 199 HD22 LEU 26 HD22 LEU 26 -19.406 12.907 -11.109 200 HD23 LEU 26 HD23 LEU 26 -20.205 11.352 -11.398 201 H LEU 27 H LEU 27 -14.530 9.070 -12.055 202 HA LEU 27 HA LEU 27 -12.617 9.975 -11.628 203 HB2 LEU 27 HB2 LEU 27 -12.892 10.463 -14.588 204 HB3 LEU 27 HB3 LEU 27 -11.462 10.984 -13.712 205 HG LEU 27 HG LEU 27 -11.148 8.640 -12.851 206 HD11 LEU 27 HD11 LEU 27 -12.099 6.786 -14.168 207 HD12 LEU 27 HD12 LEU 27 -13.383 7.647 -13.339 208 HD13 LEU 27 HD13 LEU 27 -13.100 7.920 -15.076 209 HD21 LEU 27 HD21 LEU 27 -9.822 9.601 -14.687 210 HD22 LEU 27 HD22 LEU 27 -10.125 7.882 -14.967 211 HD23 LEU 27 HD23 LEU 27 -11.057 9.101 -15.861 212 H SER 28 H SER 28 -13.816 11.422 -10.116 213 HA SER 28 HA SER 28 -12.788 14.214 -10.560 214 HB2 SER 28 HB2 SER 28 -15.179 14.329 -10.222 215 HB3 SER 28 HB3 SER 28 -15.069 13.301 -8.775 216 HG SER 28 HG SER 28 -15.051 15.788 -8.608 217 H GLU 29 H GLU 29 -10.764 14.277 -9.647 218 HA GLU 29 HA GLU 29 -10.174 12.425 -7.420 219 HB2 GLU 29 HB2 GLU 29 -8.206 13.833 -9.232 220 HB3 GLU 29 HB3 GLU 29 -7.936 12.460 -8.144 221 HG2 GLU 29 HG2 GLU 29 -9.403 11.064 -9.573 222 HG3 GLU 29 HG3 GLU 29 -9.600 12.406 -10.688 223 H GLU 30 H GLU 30 -9.239 13.010 -5.574 224 HA GLU 30 HA GLU 30 -8.450 15.855 -5.061 225 HB2 GLU 30 HB2 GLU 30 -9.462 13.812 -3.052 226 HB3 GLU 30 HB3 GLU 30 -9.111 15.497 -2.731 227 HG2 GLU 30 HG2 GLU 30 -11.362 14.459 -4.521 228 HG3 GLU 30 HG3 GLU 30 -11.536 14.906 -2.835 229 H GLN 31 H GLN 31 -6.304 16.166 -4.328 230 HA GLN 31 HA GLN 31 -4.567 13.766 -3.859 231 HB2 GLN 31 HB2 GLN 31 -3.979 16.641 -4.601 232 HB3 GLN 31 HB3 GLN 31 -2.792 15.525 -3.937 233 HG2 GLN 31 HG2 GLN 31 -3.716 13.924 -5.908 234 HG3 GLN 31 HG3 GLN 31 -4.157 15.476 -6.631 235 HE21 GLN 31 HE21 GLN 31 -1.412 13.946 -4.875 236 HE22 GLN 31 HE22 GLN 31 -0.158 14.608 -5.885 237 H VAL 32 H VAL 32 -4.184 13.267 -1.717 238 HA VAL 32 HA VAL 32 -4.578 15.372 0.378 239 HB VAL 32 HB VAL 32 -5.864 13.849 1.712 240 HG11 VAL 32 HG11 VAL 32 -7.107 13.891 -1.060 241 HG12 VAL 32 HG12 VAL 32 -7.936 13.783 0.502 242 HG13 VAL 32 HG13 VAL 32 -7.076 15.271 0.064 243 HG21 VAL 32 HG21 VAL 32 -4.914 11.675 0.980 244 HG22 VAL 32 HG22 VAL 32 -6.670 11.694 0.953 245 HG23 VAL 32 HG23 VAL 32 -5.770 11.841 -0.572 246 H ASP 33 H ASP 33 -3.803 14.899 2.476 247 HA ASP 33 HA ASP 33 -1.275 13.438 2.644 248 HB2 ASP 33 HB2 ASP 33 -1.797 15.590 3.851 249 HB3 ASP 33 HB3 ASP 33 -2.928 14.717 4.861 250 H VAL 34 H VAL 34 -0.831 11.573 3.810 251 HA VAL 34 HA VAL 34 -2.710 9.491 3.774 252 HB VAL 34 HB VAL 34 -0.295 9.168 3.754 253 HG11 VAL 34 HG11 VAL 34 -0.347 9.655 6.765 254 HG12 VAL 34 HG12 VAL 34 1.034 9.097 5.810 255 HG13 VAL 34 HG13 VAL 34 0.394 10.729 5.562 256 HG21 VAL 34 HG21 VAL 34 -1.865 7.292 4.316 257 HG22 VAL 34 HG22 VAL 34 -0.207 7.085 4.907 258 HG23 VAL 34 HG23 VAL 34 -1.492 7.559 6.030 259 H GLU 35 H GLU 35 -2.350 11.860 6.344 260 HA GLU 35 HA GLU 35 -3.735 10.287 8.362 261 HB2 GLU 35 HB2 GLU 35 -2.183 12.345 8.577 262 HB3 GLU 35 HB3 GLU 35 -3.628 13.300 8.204 263 HG2 GLU 35 HG2 GLU 35 -4.739 12.377 10.217 264 HG3 GLU 35 HG3 GLU 35 -3.355 11.315 10.505 265 H LEU 36 H LEU 36 -4.894 11.773 5.489 266 HA LEU 36 HA LEU 36 -7.610 12.294 6.574 267 HB2 LEU 36 HB2 LEU 36 -6.464 13.109 3.906 268 HB3 LEU 36 HB3 LEU 36 -7.880 13.762 4.723 269 HG LEU 36 HG LEU 36 -4.972 14.127 5.574 270 HD11 LEU 36 HD11 LEU 36 -5.678 15.344 3.550 271 HD12 LEU 36 HD12 LEU 36 -7.002 16.093 4.463 272 HD13 LEU 36 HD13 LEU 36 -5.304 16.427 4.897 273 HD21 LEU 36 HD21 LEU 36 -5.802 15.764 7.207 274 HD22 LEU 36 HD22 LEU 36 -7.475 15.333 6.807 275 HD23 LEU 36 HD23 LEU 36 -6.404 14.146 7.579 276 H VAL 37 H VAL 37 -6.130 9.751 5.020 277 HA VAL 37 HA VAL 37 -8.629 8.896 3.620 278 HB VAL 37 HB VAL 37 -6.702 8.684 2.242 279 HG11 VAL 37 HG11 VAL 37 -4.876 8.546 3.822 280 HG12 VAL 37 HG12 VAL 37 -5.438 6.965 4.416 281 HG13 VAL 37 HG13 VAL 37 -4.826 7.142 2.758 282 HG21 VAL 37 HG21 VAL 37 -8.420 6.906 2.104 283 HG22 VAL 37 HG22 VAL 37 -6.808 6.362 1.609 284 HG23 VAL 37 HG23 VAL 37 -7.446 5.889 3.189 285 H GLN 38 H GLN 38 -9.732 7.030 4.200 286 HA GLN 38 HA GLN 38 -8.980 5.683 6.751 287 HB2 GLN 38 HB2 GLN 38 -11.353 5.916 7.484 288 HB3 GLN 38 HB3 GLN 38 -10.430 7.413 7.432 289 HG2 GLN 38 HG2 GLN 38 -11.588 8.045 5.329 290 HG3 GLN 38 HG3 GLN 38 -12.470 6.507 5.346 291 HE21 GLN 38 HE22 GLN 38 -14.052 6.258 7.076 292 HE22 GLN 38 HE21 GLN 38 -14.608 7.727 7.895 293 H ARG 39 H ARG 39 -10.365 3.788 7.229 294 HA ARG 39 HA ARG 39 -9.803 1.879 5.217 295 HB2 ARG 39 HB2 ARG 39 -10.263 0.274 6.908 296 HB3 ARG 39 HB3 ARG 39 -9.525 1.669 7.683 297 HG2 ARG 39 HG2 ARG 39 -12.039 2.362 8.148 298 HG3 ARG 39 HG3 ARG 39 -12.391 0.671 7.800 299 HD2 ARG 39 HD2 ARG 39 -10.739 -0.023 9.545 300 HD3 ARG 39 HD3 ARG 39 -10.411 1.674 9.887 301 HE ARG 39 HE ARG 39 -12.451 1.900 10.988 302 HH11 ARG 39 HH11 ARG 39 -12.450 -1.296 9.466 303 HH12 ARG 39 HH12 ARG 39 -13.691 -1.853 10.576 304 HH21 ARG 39 HH21 ARG 39 -14.070 1.115 12.190 305 HH22 ARG 39 HH22 ARG 39 -14.898 -0.343 11.625 306 H GLY 40 H GLY 40 -11.986 3.567 4.323 307 HA2 GLY 40 HA2 GLY 40 -13.503 1.423 3.019 308 HA3 GLY 40 HA3 GLY 40 -14.480 2.628 3.871 309 H ASP 41 H ASP 41 -11.596 4.025 2.565 310 HA ASP 41 HA ASP 41 -13.078 5.360 0.390 311 HB2 ASP 41 HB2 ASP 41 -10.286 5.664 1.542 312 HB3 ASP 41 HB3 ASP 41 -10.841 6.545 0.121 313 H ILE 42 H ILE 42 -12.266 5.470 -1.776 314 HA ILE 42 HA ILE 42 -10.597 3.134 -2.617 315 HB ILE 42 HB ILE 42 -12.686 4.427 -4.375 316 HG12 ILE 42 HG12 ILE 42 -12.804 1.868 -2.721 317 HG13 ILE 42 HG13 ILE 42 -13.854 3.273 -2.572 318 HG21 ILE 42 HG21 ILE 42 -11.097 1.840 -4.687 319 HG22 ILE 42 HG22 ILE 42 -12.182 2.578 -5.884 320 HG23 ILE 42 HG23 ILE 42 -10.667 3.369 -5.471 321 HD11 ILE 42 HD11 ILE 42 -14.628 2.795 -4.976 322 HD12 ILE 42 HD12 ILE 42 -13.813 1.218 -4.793 323 HD13 ILE 42 HD13 ILE 42 -15.132 1.666 -3.708 324 H ILE 43 H ILE 43 -8.723 3.565 -3.369 325 HA ILE 43 HA ILE 43 -7.944 6.321 -4.129 326 HB ILE 43 HB ILE 43 -6.389 4.044 -2.820 327 HG12 ILE 43 HG12 ILE 43 -8.008 4.735 -1.194 328 HG13 ILE 43 HG13 ILE 43 -6.425 5.312 -0.721 329 HG21 ILE 43 HG21 ILE 43 -4.875 5.513 -4.015 330 HG22 ILE 43 HG22 ILE 43 -5.591 6.944 -3.257 331 HG23 ILE 43 HG23 ILE 43 -4.686 5.767 -2.285 332 HD11 ILE 43 HD11 ILE 43 -8.611 7.010 -2.000 333 HD12 ILE 43 HD12 ILE 43 -8.157 6.992 -0.299 334 HD13 ILE 43 HD13 ILE 43 -7.009 7.603 -1.504 335 H LYS 44 H LYS 44 -7.068 6.600 -6.167 336 HA LYS 44 HA LYS 44 -6.161 4.184 -7.648 337 HB2 LYS 44 HB2 LYS 44 -7.671 6.046 -8.659 338 HB3 LYS 44 HB3 LYS 44 -6.154 6.932 -8.860 339 HG2 LYS 44 HG2 LYS 44 -5.189 5.015 -10.098 340 HG3 LYS 44 HG3 LYS 44 -6.662 4.068 -9.837 341 HD2 LYS 44 HD2 LYS 44 -6.750 6.695 -11.298 342 HD3 LYS 44 HD3 LYS 44 -6.286 5.196 -12.118 343 HE2 LYS 44 HE2 LYS 44 -8.398 4.143 -11.643 344 HE3 LYS 44 HE3 LYS 44 -8.918 5.471 -10.608 345 HZ1 LYS 44 HZ1 LYS 44 -8.456 5.522 -13.544 346 HZ2 LYS 44 HZ2 LYS 44 -9.883 5.759 -12.760 347 HZ3 LYS 44 HZ3 LYS 44 -8.692 6.907 -12.666 348 H VAL 45 H VAL 45 -4.121 3.611 -7.947 349 HA VAL 45 HA VAL 45 -1.992 5.323 -6.741 350 HB VAL 45 HB VAL 45 -2.460 3.055 -5.774 351 HG11 VAL 45 HG11 VAL 45 -1.118 1.989 -8.291 352 HG12 VAL 45 HG12 VAL 45 -1.610 1.068 -6.858 353 HG13 VAL 45 HG13 VAL 45 -2.834 1.825 -7.889 354 HG21 VAL 45 HG21 VAL 45 -0.101 2.435 -5.519 355 HG22 VAL 45 HG22 VAL 45 0.351 3.439 -6.909 356 HG23 VAL 45 HG23 VAL 45 -0.285 4.196 -5.429 357 H VAL 46 H VAL 46 -0.290 6.021 -7.912 358 HA VAL 46 HA VAL 46 -0.430 5.718 -10.842 359 HB VAL 46 HB VAL 46 1.246 7.527 -10.895 360 HG11 VAL 46 HG11 VAL 46 -1.112 8.188 -9.089 361 HG12 VAL 46 HG12 VAL 46 -0.199 9.311 -10.111 362 HG13 VAL 46 HG13 VAL 46 -1.175 8.037 -10.860 363 HG21 VAL 46 HG21 VAL 46 1.042 7.577 -7.854 364 HG22 VAL 46 HG22 VAL 46 2.475 7.102 -8.799 365 HG23 VAL 46 HG23 VAL 46 1.869 8.759 -8.880 366 HA PRO 47 HA PRO 47 3.177 3.059 -11.224 367 HB2 PRO 47 HB2 PRO 47 4.475 4.142 -13.407 368 HB3 PRO 47 HB3 PRO 47 3.095 3.021 -13.490 369 HG2 PRO 47 HG2 PRO 47 3.096 6.036 -13.695 370 HG3 PRO 47 HG3 PRO 47 2.195 4.844 -14.693 371 HD2 PRO 47 HD2 PRO 47 1.005 6.190 -12.648 372 HD3 PRO 47 HD3 PRO 47 0.605 4.481 -12.976 373 H GLY 48 H GLY 48 5.273 3.035 -10.560 374 HA2 GLY 48 HA2 GLY 48 7.116 3.720 -9.320 375 HA3 GLY 48 HA3 GLY 48 6.869 5.372 -9.912 376 H GLY 49 H GLY 49 3.912 4.786 -8.605 377 HA2 GLY 49 HA2 GLY 49 4.362 6.246 -6.197 378 HA3 GLY 49 HA3 GLY 49 2.870 5.440 -6.681 379 H LYS 50 H LYS 50 4.095 5.639 -4.060 380 HA LYS 50 HA LYS 50 4.570 2.767 -3.368 381 HB2 LYS 50 HB2 LYS 50 5.196 5.328 -1.857 382 HB3 LYS 50 HB3 LYS 50 5.307 3.699 -1.157 383 HG2 LYS 50 HG2 LYS 50 7.006 3.051 -2.726 384 HG3 LYS 50 HG3 LYS 50 6.891 4.584 -3.605 385 HD2 LYS 50 HD2 LYS 50 7.762 5.835 -1.748 386 HD3 LYS 50 HD3 LYS 50 7.618 4.447 -0.647 387 HE2 LYS 50 HE2 LYS 50 9.318 3.220 -1.837 388 HE3 LYS 50 HE3 LYS 50 9.431 4.459 -3.099 389 HZ1 LYS 50 HZ1 LYS 50 11.169 4.492 -1.294 390 HZ2 LYS 50 HZ2 LYS 50 10.452 5.933 -1.577 391 HZ3 LYS 50 HZ3 LYS 50 10.034 5.061 -0.249 392 H PHE 51 H PHE 51 3.244 1.697 -1.965 393 HA PHE 51 HA PHE 51 0.536 2.690 -1.766 394 HB2 PHE 51 HB2 PHE 51 1.902 0.155 -0.875 395 HB3 PHE 51 HB3 PHE 51 0.247 0.514 -0.405 396 HD1 PHE 51 HD2 PHE 51 -1.581 0.613 -2.013 397 HD2 PHE 51 HD1 PHE 51 2.424 -0.323 -3.282 398 HE1 PHE 51 HE2 PHE 51 -2.440 -0.173 -4.194 399 HE2 PHE 51 HE1 PHE 51 1.568 -1.113 -5.455 400 HZ PHE 51 HZ PHE 51 -0.882 -1.062 -5.921 401 HA PRO 52 HA PRO 52 1.195 4.613 2.275 402 HB2 PRO 52 HB2 PRO 52 -1.215 5.842 2.599 403 HB3 PRO 52 HB3 PRO 52 0.000 6.406 1.419 404 HG2 PRO 52 HG2 PRO 52 -2.441 4.695 0.916 405 HG3 PRO 52 HG3 PRO 52 -1.843 6.090 -0.031 406 HD2 PRO 52 HD2 PRO 52 -1.349 3.467 -0.715 407 HD3 PRO 52 HD3 PRO 52 -0.220 4.802 -1.088 408 H VAL 53 H VAL 53 -1.238 2.209 1.633 409 HA VAL 53 HA VAL 53 -1.427 1.262 4.345 410 HB VAL 53 HB VAL 53 -3.876 1.320 4.488 411 HG11 VAL 53 HG11 VAL 53 -2.764 4.145 4.375 412 HG12 VAL 53 HG12 VAL 53 -4.131 3.548 5.330 413 HG13 VAL 53 HG13 VAL 53 -2.488 2.994 5.702 414 HG21 VAL 53 HG21 VAL 53 -3.748 3.344 2.223 415 HG22 VAL 53 HG22 VAL 53 -4.455 1.711 2.131 416 HG23 VAL 53 HG23 VAL 53 -5.176 2.940 3.191 417 H ASP 54 H ASP 54 -3.078 -0.716 4.277 418 HA ASP 54 HA ASP 54 -2.489 -2.205 1.780 419 HB2 ASP 54 HB2 ASP 54 -2.435 -4.132 2.948 420 HB3 ASP 54 HB3 ASP 54 -1.773 -3.012 4.108 421 H GLY 55 H GLY 55 -4.114 -3.473 0.710 422 HA2 GLY 55 HA2 GLY 55 -6.898 -3.325 1.363 423 HA3 GLY 55 HA3 GLY 55 -6.513 -2.024 0.247 424 H ARG 56 H ARG 56 -8.244 -3.259 -0.824 425 HA ARG 56 HA ARG 56 -7.299 -5.612 -2.408 426 HB2 ARG 56 HB2 ARG 56 -9.275 -5.783 -0.837 427 HB3 ARG 56 HB3 ARG 56 -10.166 -4.737 -1.946 428 HG2 ARG 56 HG2 ARG 56 -9.979 -6.424 -3.724 429 HG3 ARG 56 HG3 ARG 56 -8.852 -7.377 -2.745 430 HD2 ARG 56 HD2 ARG 56 -11.032 -8.418 -2.671 431 HD3 ARG 56 HD3 ARG 56 -10.596 -7.824 -1.071 432 HE ARG 56 HE ARG 56 -12.629 -6.636 -2.934 433 HH11 ARG 56 HH11 ARG 56 -11.471 -6.761 0.452 434 HH12 ARG 56 HH12 ARG 56 -12.818 -5.778 0.937 435 HH21 ARG 56 HH21 ARG 56 -14.143 -5.437 -2.206 436 HH22 ARG 56 HH22 ARG 56 -14.246 -4.941 -0.532 437 H VAL 57 H VAL 57 -7.257 -5.624 -4.571 438 HA VAL 57 HA VAL 57 -7.279 -3.013 -5.983 439 HB VAL 57 HB VAL 57 -6.217 -5.724 -6.886 440 HG11 VAL 57 HG11 VAL 57 -5.729 -2.909 -7.945 441 HG12 VAL 57 HG12 VAL 57 -4.934 -4.394 -8.528 442 HG13 VAL 57 HG13 VAL 57 -6.663 -4.187 -8.750 443 HG21 VAL 57 HG21 VAL 57 -4.632 -3.444 -5.648 444 HG22 VAL 57 HG22 VAL 57 -4.904 -5.046 -4.932 445 HG23 VAL 57 HG23 VAL 57 -3.951 -4.894 -6.409 446 H ILE 58 H ILE 58 -8.892 -2.565 -7.420 447 HA ILE 58 HA ILE 58 -10.581 -4.789 -8.511 448 HB ILE 58 HB ILE 58 -12.600 -3.310 -7.827 449 HG12 ILE 58 HG12 ILE 58 -10.650 -2.333 -5.712 450 HG13 ILE 58 HG13 ILE 58 -10.984 -1.377 -7.169 451 HG21 ILE 58 HG21 ILE 58 -12.823 -4.405 -5.699 452 HG22 ILE 58 HG22 ILE 58 -12.061 -5.520 -6.835 453 HG23 ILE 58 HG23 ILE 58 -11.081 -4.705 -5.594 454 HD11 ILE 58 HD11 ILE 58 -12.341 -0.565 -5.346 455 HD12 ILE 58 HD12 ILE 58 -13.367 -1.263 -6.612 456 HD13 ILE 58 HD13 ILE 58 -13.069 -2.166 -5.101 457 H GLU 59 H GLU 59 -8.622 -2.886 -9.740 458 HA GLU 59 HA GLU 59 -9.958 -2.947 -12.205 459 HB2 GLU 59 HB2 GLU 59 -10.445 -0.459 -10.904 460 HB3 GLU 59 HB3 GLU 59 -9.186 -0.113 -12.050 461 HG2 GLU 59 HG2 GLU 59 -11.925 -1.314 -12.610 462 HG3 GLU 59 HG3 GLU 59 -11.352 0.280 -13.066 463 H GLY 60 H GLY 60 -8.423 -3.092 -13.834 464 HA2 GLY 60 HA2 GLY 60 -6.532 -2.395 -15.011 465 HA3 GLY 60 HA3 GLY 60 -5.876 -1.635 -13.571 466 H HIS 61 H HIS 61 -4.014 -2.653 -14.603 467 HA HIS 61 HA HIS 61 -3.423 -5.396 -13.601 468 HB2 HIS 61 HB2 HIS 61 -2.572 -5.795 -16.128 469 HB3 HIS 61 HB3 HIS 61 -4.124 -6.301 -15.499 470 HD1 HIS 61 HD1 HIS 61 -6.143 -5.646 -16.922 471 HD2 HIS 61 HD2 HIS 61 -2.798 -3.145 -17.449 472 HE1 HIS 61 HE1 HIS 61 -6.735 -4.050 -18.813 473 H SER 62 H SER 62 -1.640 -5.075 -12.483 474 HA SER 62 HA SER 62 0.657 -3.673 -13.701 475 HB2 SER 62 HB2 SER 62 -0.939 -2.051 -12.381 476 HB3 SER 62 HB3 SER 62 -0.154 -2.762 -10.956 477 HG SER 62 HG SER 62 0.703 -0.823 -12.216 478 H MET 63 H MET 63 2.525 -3.548 -12.004 479 HA MET 63 HA MET 63 2.769 -6.202 -10.696 480 HB2 MET 63 HB2 MET 63 3.734 -6.274 -12.933 481 HB3 MET 63 HB3 MET 63 4.767 -4.885 -12.576 482 HG2 MET 63 HG2 MET 63 6.092 -6.074 -11.097 483 HG3 MET 63 HG3 MET 63 4.882 -7.334 -10.807 484 HE1 MET 63 HE1 MET 63 4.583 -9.473 -12.119 485 HE2 MET 63 HE2 MET 63 3.938 -8.506 -13.466 486 HE3 MET 63 HE3 MET 63 5.175 -9.739 -13.772 487 H VAL 64 H VAL 64 3.602 -6.156 -8.763 488 HA VAL 64 HA VAL 64 4.499 -3.549 -7.598 489 HB VAL 64 HB VAL 64 2.751 -5.725 -6.400 490 HG11 VAL 64 HG11 VAL 64 3.636 -3.073 -5.179 491 HG12 VAL 64 HG12 VAL 64 2.414 -4.167 -4.501 492 HG13 VAL 64 HG13 VAL 64 4.088 -4.697 -4.614 493 HG21 VAL 64 HG21 VAL 64 2.148 -2.862 -7.264 494 HG22 VAL 64 HG22 VAL 64 1.535 -4.340 -8.031 495 HG23 VAL 64 HG23 VAL 64 1.019 -3.920 -6.391 496 H ASP 65 H ASP 65 6.196 -3.442 -6.246 497 HA ASP 65 HA ASP 65 7.956 -5.823 -6.095 498 HB2 ASP 65 HB2 ASP 65 8.550 -3.497 -7.067 499 HB3 ASP 65 HB3 ASP 65 8.668 -2.960 -5.398 500 H GLU 66 H GLU 66 7.568 -7.083 -4.371 501 HA GLU 66 HA GLU 66 6.739 -5.887 -1.758 502 HB2 GLU 66 HB2 GLU 66 6.302 -8.717 -2.773 503 HB3 GLU 66 HB3 GLU 66 5.635 -7.983 -1.308 504 HG2 GLU 66 HG2 GLU 66 4.438 -6.320 -2.817 505 HG3 GLU 66 HG3 GLU 66 4.919 -7.324 -4.188 506 H SER 67 H SER 67 9.475 -7.101 -3.107 507 HA SER 67 HA SER 67 10.396 -9.180 -1.597 508 HB2 SER 67 HB2 SER 67 12.674 -8.530 -2.305 509 HB3 SER 67 HB3 SER 67 11.477 -8.477 -3.596 510 HG SER 67 HG SER 67 12.728 -6.680 -3.689 511 H LEU 68 H LEU 68 10.623 -5.804 -0.404 512 HA LEU 68 HA LEU 68 12.199 -6.733 1.904 513 HB2 LEU 68 HB2 LEU 68 12.381 -4.458 0.873 514 HB3 LEU 68 HB3 LEU 68 10.734 -4.101 1.340 515 HG LEU 68 HG LEU 68 12.451 -2.993 2.695 516 HD11 LEU 68 HD11 LEU 68 10.966 -4.881 4.540 517 HD12 LEU 68 HD12 LEU 68 11.495 -3.223 4.830 518 HD13 LEU 68 HD13 LEU 68 10.185 -3.537 3.678 519 HD21 LEU 68 HD21 LEU 68 13.818 -4.156 4.314 520 HD22 LEU 68 HD22 LEU 68 13.151 -5.726 3.828 521 HD23 LEU 68 HD23 LEU 68 14.154 -4.791 2.696 522 H ILE 69 H ILE 69 8.856 -5.926 1.210 523 HA ILE 69 HA ILE 69 7.804 -5.935 3.860 524 HB ILE 69 HB ILE 69 6.293 -6.600 1.299 525 HG12 ILE 69 HG12 ILE 69 7.564 -4.485 0.943 526 HG13 ILE 69 HG13 ILE 69 5.826 -4.320 0.888 527 HG21 ILE 69 HG21 ILE 69 4.441 -5.409 2.636 528 HG22 ILE 69 HG22 ILE 69 4.906 -7.026 3.189 529 HG23 ILE 69 HG23 ILE 69 5.483 -5.591 4.048 530 HD11 ILE 69 HD11 ILE 69 7.507 -3.594 3.316 531 HD12 ILE 69 HD12 ILE 69 6.903 -2.455 2.090 532 HD13 ILE 69 HD13 ILE 69 5.755 -3.349 3.096 533 H THR 70 H THR 70 7.564 -8.461 1.342 534 HA THR 70 HA THR 70 6.873 -10.481 3.410 535 HB THR 70 HB THR 70 5.817 -11.659 1.547 536 HG1 THR 70 HG1 THR 70 5.843 -10.737 -0.463 537 HG21 THR 70 HG21 THR 70 4.024 -10.153 1.058 538 HG22 THR 70 HG22 THR 70 4.581 -9.705 2.686 539 HG23 THR 70 HG23 THR 70 5.041 -8.722 1.282 540 H GLY 71 H GLY 71 9.604 -9.705 1.647 541 HA2 GLY 71 HA2 GLY 71 11.661 -10.763 1.710 542 HA3 GLY 71 HA3 GLY 71 10.923 -12.234 2.374 543 H GLU 72 H GLU 72 9.504 -10.929 -0.479 544 HA GLU 72 HA GLU 72 10.206 -13.103 -2.279 545 HB2 GLU 72 HB2 GLU 72 9.172 -10.305 -2.869 546 HB3 GLU 72 HB3 GLU 72 9.238 -11.582 -4.045 547 HG2 GLU 72 HG2 GLU 72 7.646 -11.895 -1.487 548 HG3 GLU 72 HG3 GLU 72 7.013 -10.991 -2.856 549 H ALA 73 H ALA 73 11.098 -12.155 -4.561 550 HA ALA 73 HA ALA 73 13.608 -10.644 -4.217 551 HB1 ALA 73 HB1 ALA 73 13.580 -13.518 -5.223 552 HB2 ALA 73 HB2 ALA 73 14.976 -12.418 -5.244 553 HB3 ALA 73 HB3 ALA 73 14.282 -12.920 -3.695 554 H MET 74 H MET 74 11.178 -12.012 -6.303 555 HA MET 74 HA MET 74 11.746 -9.864 -8.288 556 HB2 MET 74 HB2 MET 74 10.752 -11.322 -10.034 557 HB3 MET 74 HB3 MET 74 12.230 -11.984 -9.338 558 HG2 MET 74 HG2 MET 74 10.924 -13.509 -7.936 559 HG3 MET 74 HG3 MET 74 9.413 -12.845 -8.575 560 HE1 MET 74 HE1 MET 74 8.849 -15.505 -8.939 561 HE2 MET 74 HE2 MET 74 9.920 -16.582 -9.866 562 HE3 MET 74 HE3 MET 74 10.489 -15.863 -8.350 563 HA PRO 75 HA PRO 75 7.842 -8.275 -7.194 564 HB2 PRO 75 HB2 PRO 75 6.988 -6.900 -9.352 565 HB3 PRO 75 HB3 PRO 75 8.439 -6.451 -8.423 566 HG2 PRO 75 HG2 PRO 75 8.344 -8.116 -10.964 567 HG3 PRO 75 HG3 PRO 75 9.352 -6.665 -10.632 568 HD2 PRO 75 HD2 PRO 75 10.337 -9.158 -10.298 569 HD3 PRO 75 HD3 PRO 75 10.723 -7.872 -9.116 570 H VAL 76 H VAL 76 5.545 -8.114 -7.598 571 HA VAL 76 HA VAL 76 4.431 -10.748 -8.456 572 HB VAL 76 HB VAL 76 3.695 -8.868 -6.185 573 HG11 VAL 76 HG11 VAL 76 1.652 -10.015 -6.992 574 HG12 VAL 76 HG12 VAL 76 2.488 -11.581 -6.863 575 HG13 VAL 76 HG13 VAL 76 2.165 -10.604 -5.413 576 HG21 VAL 76 HG21 VAL 76 5.758 -10.145 -5.731 577 HG22 VAL 76 HG22 VAL 76 4.433 -10.760 -4.744 578 HG23 VAL 76 HG23 VAL 76 4.937 -11.657 -6.187 579 H ALA 77 H ALA 77 2.674 -10.869 -9.802 580 HA ALA 77 HA ALA 77 1.683 -8.439 -11.057 581 HB1 ALA 77 HB1 ALA 77 0.405 -10.091 -12.426 582 HB2 ALA 77 HB2 ALA 77 2.148 -10.401 -12.392 583 HB3 ALA 77 HB3 ALA 77 1.046 -11.394 -11.408 584 H LYS 78 H LYS 78 -0.222 -7.500 -10.903 585 HA LYS 78 HA LYS 78 -2.379 -8.562 -9.095 586 HB2 LYS 78 HB2 LYS 78 -1.721 -5.641 -9.594 587 HB3 LYS 78 HB3 LYS 78 -2.861 -6.281 -8.417 588 HG2 LYS 78 HG2 LYS 78 0.176 -6.551 -8.321 589 HG3 LYS 78 HG3 LYS 78 -0.797 -5.417 -7.398 590 HD2 LYS 78 HD2 LYS 78 -1.853 -7.197 -6.130 591 HD3 LYS 78 HD3 LYS 78 -1.039 -8.444 -7.097 592 HE2 LYS 78 HE2 LYS 78 1.151 -7.722 -6.333 593 HE3 LYS 78 HE3 LYS 78 0.463 -6.311 -5.526 594 HZ1 LYS 78 HZ1 LYS 78 0.917 -8.052 -3.939 595 HZ2 LYS 78 HZ2 LYS 78 -0.714 -7.846 -4.008 596 HZ3 LYS 78 HZ3 LYS 78 -0.037 -9.132 -4.731 597 H LYS 79 H LYS 79 -4.508 -8.157 -9.640 598 HA LYS 79 HA LYS 79 -5.267 -6.997 -12.263 599 HB2 LYS 79 HB2 LYS 79 -6.429 -9.059 -12.895 600 HB3 LYS 79 HB3 LYS 79 -4.739 -9.395 -12.639 601 HG2 LYS 79 HG2 LYS 79 -5.145 -10.579 -10.618 602 HG3 LYS 79 HG3 LYS 79 -6.755 -9.876 -10.416 603 HD2 LYS 79 HD2 LYS 79 -7.013 -12.154 -11.107 604 HD3 LYS 79 HD3 LYS 79 -7.564 -11.093 -12.405 605 HE2 LYS 79 HE2 LYS 79 -5.256 -11.398 -13.480 606 HE3 LYS 79 HE3 LYS 79 -4.932 -12.629 -12.247 607 HZ1 LYS 79 HZ1 LYS 79 -7.032 -12.671 -14.325 608 HZ2 LYS 79 HZ2 LYS 79 -5.772 -13.716 -14.177 609 HZ3 LYS 79 HZ3 LYS 79 -7.019 -13.749 -13.081 610 HA PRO 80 HA PRO 80 -8.984 -5.959 -9.843 611 HB2 PRO 80 HB2 PRO 80 -11.176 -6.926 -11.237 612 HB3 PRO 80 HB3 PRO 80 -10.309 -5.409 -11.633 613 HG2 PRO 80 HG2 PRO 80 -9.906 -8.160 -12.862 614 HG3 PRO 80 HG3 PRO 80 -10.121 -6.589 -13.704 615 HD2 PRO 80 HD2 PRO 80 -7.658 -7.545 -13.359 616 HD3 PRO 80 HD3 PRO 80 -7.983 -5.832 -13.024 617 H GLY 81 H GLY 81 -9.711 -6.913 -8.059 618 HA2 GLY 81 HA2 GLY 81 -10.460 -8.552 -6.584 619 HA3 GLY 81 HA3 GLY 81 -10.359 -9.781 -7.847 620 H SER 82 H SER 82 -7.615 -7.624 -6.925 621 HA SER 82 HA SER 82 -6.167 -10.018 -5.789 622 HB2 SER 82 HB2 SER 82 -5.009 -7.599 -7.216 623 HB3 SER 82 HB3 SER 82 -4.061 -8.821 -6.373 624 HG SER 82 HG SER 82 -4.801 -10.377 -7.889 625 H THR 83 H THR 83 -4.386 -9.230 -4.114 626 HA THR 83 HA THR 83 -5.354 -6.851 -2.567 627 HB THR 83 HB THR 83 -4.618 -8.053 -0.497 628 HG1 THR 83 HG1 THR 83 -4.812 -10.435 -0.857 629 HG21 THR 83 HG21 THR 83 -7.005 -7.870 -1.119 630 HG22 THR 83 HG22 THR 83 -6.884 -9.395 -2.033 631 HG23 THR 83 HG23 THR 83 -6.650 -9.376 -0.269 632 H VAL 84 H VAL 84 -3.854 -5.710 -1.333 633 HA VAL 84 HA VAL 84 -0.955 -6.125 -1.899 634 HB VAL 84 HB VAL 84 -0.773 -3.597 -2.159 635 HG11 VAL 84 HG11 VAL 84 -2.188 -5.116 -4.376 636 HG12 VAL 84 HG12 VAL 84 -1.220 -3.634 -4.550 637 HG13 VAL 84 HG13 VAL 84 -0.441 -5.130 -4.016 638 HG21 VAL 84 HG21 VAL 84 -3.070 -2.971 -1.421 639 HG22 VAL 84 HG22 VAL 84 -2.677 -2.363 -3.030 640 HG23 VAL 84 HG23 VAL 84 -3.738 -3.768 -2.862 641 H ILE 85 H ILE 85 0.452 -5.422 -0.451 642 HA ILE 85 HA ILE 85 -0.424 -4.557 2.243 643 HB ILE 85 HB ILE 85 2.191 -4.910 2.635 644 HG12 ILE 85 HG12 ILE 85 3.026 -6.927 1.500 645 HG13 ILE 85 HG13 ILE 85 1.618 -6.987 0.455 646 HG21 ILE 85 HG21 ILE 85 0.277 -7.262 2.496 647 HG22 ILE 85 HG22 ILE 85 1.742 -7.075 3.505 648 HG23 ILE 85 HG23 ILE 85 0.333 -6.054 3.795 649 HD11 ILE 85 HD11 ILE 85 3.515 -4.621 0.506 650 HD12 ILE 85 HD12 ILE 85 3.752 -6.031 -0.552 651 HD13 ILE 85 HD13 ILE 85 2.307 -5.021 -0.739 652 H ALA 86 H ALA 86 0.630 -2.869 3.360 653 HA ALA 86 HA ALA 86 0.941 -0.465 1.785 654 HB1 ALA 86 HB1 ALA 86 -0.044 -0.584 4.082 655 HB2 ALA 86 HB2 ALA 86 1.545 -0.997 4.726 656 HB3 ALA 86 HB3 ALA 86 1.282 0.591 3.963 657 H GLY 87 H GLY 87 2.817 0.859 1.585 658 HA2 GLY 87 HA2 GLY 87 5.047 1.462 1.588 659 HA3 GLY 87 HA3 GLY 87 5.438 0.057 2.586 660 H SER 88 H SER 88 3.784 -1.136 -0.090 661 HA SER 88 HA SER 88 6.260 -1.984 -1.433 662 HB2 SER 88 HB2 SER 88 4.741 -3.262 -2.884 663 HB3 SER 88 HB3 SER 88 4.573 -3.646 -1.175 664 HG SER 88 HG SER 88 2.579 -2.710 -1.141 665 H ILE 89 H ILE 89 6.488 -1.777 -3.767 666 HA ILE 89 HA ILE 89 5.795 0.986 -4.654 667 HB ILE 89 HB ILE 89 7.939 -0.544 -6.048 668 HG12 ILE 89 HG12 ILE 89 8.557 -1.181 -3.776 669 HG13 ILE 89 HG13 ILE 89 9.715 -0.121 -4.547 670 HG21 ILE 89 HG21 ILE 89 7.373 1.713 -6.741 671 HG22 ILE 89 HG22 ILE 89 7.647 2.339 -5.105 672 HG23 ILE 89 HG23 ILE 89 8.999 1.699 -6.056 673 HD11 ILE 89 HD11 ILE 89 9.404 0.412 -2.166 674 HD12 ILE 89 HD12 ILE 89 8.992 1.773 -3.219 675 HD13 ILE 89 HD13 ILE 89 7.703 0.805 -2.459 676 H ASN 90 H ASN 90 4.782 1.370 -6.627 677 HA ASN 90 HA ASN 90 3.886 -0.923 -8.285 678 HB2 ASN 90 HB2 ASN 90 2.351 0.916 -7.686 679 HB3 ASN 90 HB3 ASN 90 3.396 2.081 -8.476 680 HD21 ASN 90 HD22 ASN 90 0.523 1.108 -8.954 681 HD22 ASN 90 HD21 ASN 90 0.538 0.861 -10.698 682 H GLN 91 H GLN 91 4.790 -1.547 -10.224 683 HA GLN 91 HA GLN 91 6.607 0.331 -11.583 684 HB2 GLN 91 HB2 GLN 91 7.761 -1.348 -9.851 685 HB3 GLN 91 HB3 GLN 91 7.623 -2.490 -11.174 686 HG2 GLN 91 HG2 GLN 91 9.441 -1.535 -12.141 687 HG3 GLN 91 HG3 GLN 91 8.532 -0.036 -12.345 688 HE21 GLN 91 HE22 GLN 91 8.338 1.191 -9.969 689 HE22 GLN 91 HE21 GLN 91 9.899 1.336 -9.175 690 H ASN 92 H ASN 92 4.322 0.045 -12.659 691 HA ASN 92 HA ASN 92 4.938 -0.847 -15.277 692 HB2 ASN 92 HB2 ASN 92 4.380 -3.111 -14.338 693 HB3 ASN 92 HB3 ASN 92 2.777 -2.527 -13.932 694 HD21 ASN 92 HD22 ASN 92 1.193 -2.951 -15.497 695 HD22 ASN 92 HD21 ASN 92 1.651 -3.547 -17.074 696 H GLY 93 H GLY 93 2.250 0.198 -13.112 697 HA2 GLY 93 HA2 GLY 93 1.284 2.278 -14.749 698 HA3 GLY 93 HA3 GLY 93 0.509 0.828 -15.363 699 H SER 94 H SER 94 -1.114 2.783 -14.520 700 HA SER 94 HA SER 94 -1.612 2.897 -11.734 701 HB2 SER 94 HB2 SER 94 -3.436 3.680 -14.035 702 HB3 SER 94 HB3 SER 94 -3.716 4.071 -12.331 703 HG SER 94 HG SER 94 -1.574 4.932 -13.986 704 H LEU 95 H LEU 95 -2.886 1.848 -10.347 705 HA LEU 95 HA LEU 95 -5.116 0.044 -11.283 706 HB2 LEU 95 HB2 LEU 95 -3.216 -0.113 -8.937 707 HB3 LEU 95 HB3 LEU 95 -4.642 -1.126 -9.065 708 HG LEU 95 HG LEU 95 -2.219 -1.173 -10.888 709 HD11 LEU 95 HD11 LEU 95 -3.042 -2.876 -8.496 710 HD12 LEU 95 HD12 LEU 95 -1.736 -3.302 -9.607 711 HD13 LEU 95 HD13 LEU 95 -1.615 -1.827 -8.626 712 HD21 LEU 95 HD21 LEU 95 -4.627 -3.029 -10.612 713 HD22 LEU 95 HD22 LEU 95 -4.201 -2.011 -11.997 714 HD23 LEU 95 HD23 LEU 95 -3.175 -3.393 -11.562 715 H LEU 96 H LEU 96 -6.899 -0.102 -9.810 716 HA LEU 96 HA LEU 96 -7.214 2.240 -7.962 717 HB2 LEU 96 HB2 LEU 96 -8.635 2.220 -10.053 718 HB3 LEU 96 HB3 LEU 96 -9.339 0.716 -9.462 719 HG LEU 96 HG LEU 96 -10.162 1.937 -7.445 720 HD11 LEU 96 HD11 LEU 96 -9.239 4.394 -8.950 721 HD12 LEU 96 HD12 LEU 96 -10.318 4.412 -7.547 722 HD13 LEU 96 HD13 LEU 96 -8.654 3.842 -7.365 723 HD21 LEU 96 HD21 LEU 96 -11.499 1.566 -9.544 724 HD22 LEU 96 HD22 LEU 96 -12.030 2.937 -8.556 725 HD23 LEU 96 HD23 LEU 96 -11.073 3.221 -10.030 726 H ILE 97 H ILE 97 -7.360 1.783 -5.856 727 HA ILE 97 HA ILE 97 -7.974 -1.013 -4.987 728 HB ILE 97 HB ILE 97 -5.898 0.947 -3.919 729 HG12 ILE 97 HG12 ILE 97 -4.452 -1.243 -4.638 730 HG13 ILE 97 HG13 ILE 97 -5.727 -1.367 -5.838 731 HG21 ILE 97 HG21 ILE 97 -6.408 -1.927 -3.060 732 HG22 ILE 97 HG22 ILE 97 -5.119 -0.865 -2.474 733 HG23 ILE 97 HG23 ILE 97 -6.789 -0.479 -2.101 734 HD11 ILE 97 HD11 ILE 97 -3.728 -0.139 -6.621 735 HD12 ILE 97 HD12 ILE 97 -5.159 0.899 -6.671 736 HD13 ILE 97 HD13 ILE 97 -3.983 1.092 -5.366 737 H CYS 98 H CYS 98 -9.361 -1.296 -3.322 738 HA CYS 98 HA CYS 98 -10.478 1.102 -1.926 739 HB2 CYS 98 HB2 CYS 98 -12.100 -0.521 -2.850 740 HB3 CYS 98 HB3 CYS 98 -11.394 -1.795 -1.845 741 HG CYS 98 HG CYS 98 -11.759 -0.451 0.473 742 H ALA 99 H ALA 99 -9.636 1.677 -0.024 743 HA ALA 99 HA ALA 99 -7.481 0.062 1.178 744 HB1 ALA 99 HB1 ALA 99 -8.618 2.826 1.792 745 HB2 ALA 99 HB2 ALA 99 -7.216 2.092 2.593 746 HB3 ALA 99 HB3 ALA 99 -7.146 2.466 0.853 747 H THR 100 H THR 100 -7.737 -1.236 2.922 748 HA THR 100 HA THR 100 -10.285 -0.972 4.495 749 HB THR 100 HB THR 100 -10.323 -3.387 4.773 750 HG1 THR 100 HG1 THR 100 -8.413 -4.165 4.469 751 HG21 THR 100 HG21 THR 100 -11.060 -3.972 2.547 752 HG22 THR 100 HG22 THR 100 -11.561 -2.307 2.896 753 HG23 THR 100 HG23 THR 100 -10.168 -2.612 1.832 754 H HIS 101 H HIS 101 -7.180 -0.248 5.021 755 HA HIS 101 HA HIS 101 -7.742 -0.276 7.922 756 HB2 HIS 101 HB2 HIS 101 -5.215 -1.353 6.601 757 HB3 HIS 101 HB3 HIS 101 -5.239 -0.804 8.260 758 HD1 HIS 101 HD1 HIS 101 -4.907 -3.853 6.892 759 HD2 HIS 101 HD2 HIS 101 -7.805 -2.211 9.455 760 HE1 HIS 101 HE1 HIS 101 -5.918 -5.825 8.201 761 H VAL 102 H VAL 102 -6.647 1.399 9.058 762 HA VAL 102 HA VAL 102 -5.333 3.530 7.422 763 HB VAL 102 HB VAL 102 -5.070 4.747 9.567 764 HG11 VAL 102 HG11 VAL 102 -6.883 5.220 8.008 765 HG12 VAL 102 HG12 VAL 102 -7.907 3.997 8.798 766 HG13 VAL 102 HG13 VAL 102 -7.405 5.455 9.684 767 HG21 VAL 102 HG21 VAL 102 -6.343 4.131 11.533 768 HG22 VAL 102 HG22 VAL 102 -6.951 2.673 10.742 769 HG23 VAL 102 HG23 VAL 102 -5.226 2.812 11.148 770 H GLY 103 H GLY 103 -3.088 4.366 8.439 771 HA2 GLY 103 HA2 GLY 103 -1.342 2.209 7.762 772 HA3 GLY 103 HA3 GLY 103 -0.847 3.757 8.402 773 H ALA 104 H ALA 104 -2.092 3.691 10.968 774 HA ALA 104 HA ALA 104 -0.355 2.102 12.523 775 HB1 ALA 104 HB1 ALA 104 -3.099 3.256 13.212 776 HB2 ALA 104 HB2 ALA 104 -1.868 2.737 14.380 777 HB3 ALA 104 HB3 ALA 104 -1.540 4.108 13.319 778 H ASP 105 H ASP 105 -3.516 1.223 11.187 779 HA ASP 105 HA ASP 105 -3.700 -1.251 12.738 780 HB2 ASP 105 HB2 ASP 105 -5.668 0.255 12.096 781 HB3 ASP 105 HB3 ASP 105 -5.565 -0.515 10.514 782 H THR 106 H THR 106 -1.893 -0.448 10.057 783 HA THR 106 HA THR 106 -2.213 -2.851 8.459 784 HB THR 106 HB THR 106 -0.022 -2.328 7.484 785 HG1 THR 106 HG1 THR 106 0.047 -0.113 9.195 786 HG21 THR 106 HG21 THR 106 -1.882 0.043 7.706 787 HG22 THR 106 HG22 THR 106 -0.519 -0.081 6.568 788 HG23 THR 106 HG23 THR 106 -1.872 -1.226 6.476 789 H THR 107 H THR 107 -0.982 -4.754 8.430 790 HA THR 107 HA THR 107 0.122 -5.721 10.941 791 HB THR 107 HB THR 107 0.377 -6.832 8.130 792 HG1 THR 107 HG1 THR 107 -1.225 -8.208 8.826 793 HG21 THR 107 HG21 THR 107 0.856 -8.990 9.324 794 HG22 THR 107 HG22 THR 107 2.128 -7.796 9.540 795 HG23 THR 107 HG23 THR 107 0.961 -8.090 10.851 796 H LEU 108 H LEU 108 1.525 -4.316 7.973 797 HA LEU 108 HA LEU 108 4.232 -4.464 8.397 798 HB2 LEU 108 HB2 LEU 108 2.840 -3.355 6.532 799 HB3 LEU 108 HB3 LEU 108 2.704 -1.957 7.578 800 HG LEU 108 HG LEU 108 5.354 -2.038 7.600 801 HD11 LEU 108 HD11 LEU 108 4.644 -3.568 5.046 802 HD12 LEU 108 HD12 LEU 108 6.257 -2.919 5.467 803 HD13 LEU 108 HD13 LEU 108 5.542 -4.238 6.426 804 HD21 LEU 108 HD21 LEU 108 3.862 -1.286 5.064 805 HD22 LEU 108 HD22 LEU 108 3.920 -0.302 6.533 806 HD23 LEU 108 HD23 LEU 108 5.414 -0.630 5.626 807 H SER 109 H SER 109 2.129 -1.883 9.780 808 HA SER 109 HA SER 109 4.214 -0.796 11.476 809 HB2 SER 109 HB2 SER 109 1.215 -0.317 11.534 810 HB3 SER 109 HB3 SER 109 2.457 0.640 12.363 811 HG SER 109 HG SER 109 1.961 0.356 9.598 812 H GLN 110 H GLN 110 1.793 -3.278 11.978 813 HA GLN 110 HA GLN 110 2.015 -3.450 14.843 814 HB2 GLN 110 HB2 GLN 110 0.196 -4.392 13.307 815 HB3 GLN 110 HB3 GLN 110 1.302 -5.646 12.874 816 HG2 GLN 110 HG2 GLN 110 -0.262 -6.429 14.481 817 HG3 GLN 110 HG3 GLN 110 1.381 -6.513 15.130 818 HE21 GLN 110 HE22 GLN 110 -0.957 -3.757 14.869 819 HE22 GLN 110 HE21 GLN 110 -0.903 -3.443 16.582 820 H ILE 111 H ILE 111 3.737 -5.154 12.209 821 HA ILE 111 HA ILE 111 5.154 -7.056 13.661 822 HB ILE 111 HB ILE 111 5.880 -5.495 11.174 823 HG12 ILE 111 HG12 ILE 111 5.304 -8.469 11.566 824 HG13 ILE 111 HG13 ILE 111 4.020 -7.302 11.323 825 HG21 ILE 111 HG21 ILE 111 7.539 -7.748 12.403 826 HG22 ILE 111 HG22 ILE 111 7.744 -7.107 10.761 827 HG23 ILE 111 HG23 ILE 111 8.072 -6.071 12.136 828 HD11 ILE 111 HD11 ILE 111 4.529 -8.352 9.211 829 HD12 ILE 111 HD12 ILE 111 5.011 -6.646 9.131 830 HD13 ILE 111 HD13 ILE 111 6.238 -7.921 9.332 831 H VAL 112 H VAL 112 6.351 -3.670 13.156 832 HA VAL 112 HA VAL 112 8.633 -4.046 14.781 833 HB VAL 112 HB VAL 112 8.891 -1.662 14.870 834 HG11 VAL 112 HG11 VAL 112 7.849 -2.489 12.126 835 HG12 VAL 112 HG12 VAL 112 8.979 -1.173 12.491 836 HG13 VAL 112 HG13 VAL 112 9.467 -2.849 12.767 837 HG21 VAL 112 HG21 VAL 112 6.520 -0.956 15.248 838 HG22 VAL 112 HG22 VAL 112 7.299 -0.086 13.930 839 HG23 VAL 112 HG23 VAL 112 6.155 -1.388 13.560 840 H LYS 113 H LYS 113 5.377 -3.604 15.849 841 HA LYS 113 HA LYS 113 6.071 -2.909 18.630 842 HB2 LYS 113 HB2 LYS 113 3.443 -4.000 17.579 843 HB3 LYS 113 HB3 LYS 113 3.770 -3.316 19.164 844 HG2 LYS 113 HG2 LYS 113 4.265 -1.099 18.091 845 HG3 LYS 113 HG3 LYS 113 3.880 -1.810 16.524 846 HD2 LYS 113 HD2 LYS 113 1.870 -0.775 17.109 847 HD3 LYS 113 HD3 LYS 113 1.618 -2.481 17.509 848 HE2 LYS 113 HE2 LYS 113 2.639 -1.657 19.857 849 HE3 LYS 113 HE3 LYS 113 2.040 -0.091 19.301 850 HZ1 LYS 113 HZ1 LYS 113 0.297 -1.151 20.557 851 HZ2 LYS 113 HZ2 LYS 113 -0.161 -1.327 18.969 852 HZ3 LYS 113 HZ3 LYS 113 0.517 -2.580 19.762 853 H LEU 114 H LEU 114 5.209 -5.836 16.755 854 HA LEU 114 HA LEU 114 4.934 -7.597 19.002 855 HB2 LEU 114 HB2 LEU 114 5.263 -7.942 15.991 856 HB3 LEU 114 HB3 LEU 114 5.055 -9.301 17.082 857 HG LEU 114 HG LEU 114 3.069 -7.076 16.613 858 HD11 LEU 114 HD11 LEU 114 3.092 -9.993 15.726 859 HD12 LEU 114 HD12 LEU 114 1.764 -8.854 15.462 860 HD13 LEU 114 HD13 LEU 114 3.326 -8.575 14.675 861 HD21 LEU 114 HD21 LEU 114 2.839 -9.642 18.245 862 HD22 LEU 114 HD22 LEU 114 2.764 -7.972 18.862 863 HD23 LEU 114 HD23 LEU 114 1.477 -8.575 17.824 864 H VAL 115 H VAL 115 7.524 -7.141 16.598 865 HA VAL 115 HA VAL 115 9.255 -9.226 17.551 866 HB VAL 115 HB VAL 115 9.954 -6.631 16.122 867 HG11 VAL 115 HG11 VAL 115 11.705 -9.036 16.796 868 HG12 VAL 115 HG12 VAL 115 12.110 -7.848 15.539 869 HG13 VAL 115 HG13 VAL 115 11.999 -7.339 17.222 870 HG21 VAL 115 HG21 VAL 115 10.171 -8.081 14.167 871 HG22 VAL 115 HG22 VAL 115 9.774 -9.517 15.135 872 HG23 VAL 115 HG23 VAL 115 8.550 -8.264 14.844 873 H GLU 116 H GLU 116 9.456 -5.717 18.323 874 HA GLU 116 HA GLU 116 11.296 -5.811 20.299 875 HB2 GLU 116 HB2 GLU 116 9.758 -3.893 19.185 876 HB3 GLU 116 HB3 GLU 116 8.910 -4.032 20.721 877 HG2 GLU 116 HG2 GLU 116 11.392 -3.838 21.698 878 HG3 GLU 116 HG3 GLU 116 11.739 -3.159 20.105 879 H GLU 117 H GLU 117 7.997 -7.014 20.739 880 HA GLU 117 HA GLU 117 8.164 -7.188 23.687 881 HB2 GLU 117 HB2 GLU 117 6.115 -8.032 21.628 882 HB3 GLU 117 HB3 GLU 117 5.983 -8.415 23.341 883 HG2 GLU 117 HG2 GLU 117 6.460 -5.522 22.633 884 HG3 GLU 117 HG3 GLU 117 4.935 -6.221 22.176 885 H ALA 118 H ALA 118 8.619 -9.190 20.766 886 HA ALA 118 HA ALA 118 8.251 -11.723 22.062 887 HB1 ALA 118 HB1 ALA 118 9.548 -11.002 19.396 888 HB2 ALA 118 HB2 ALA 118 8.923 -12.598 19.869 889 HB3 ALA 118 HB3 ALA 118 7.806 -11.249 19.657 890 H GLN 119 H GLN 119 11.079 -9.686 21.901 891 HA GLN 119 HA GLN 119 13.143 -11.658 22.149 892 HB2 GLN 119 HB2 GLN 119 12.906 -8.731 22.902 893 HB3 GLN 119 HB3 GLN 119 14.426 -9.635 22.972 894 HG2 GLN 119 HG2 GLN 119 13.044 -8.293 20.741 895 HG3 GLN 119 HG3 GLN 119 14.765 -8.646 20.945 896 HE21 GLN 119 HE22 GLN 119 11.819 -9.534 19.486 897 HE22 GLN 119 HE21 GLN 119 12.097 -11.228 19.399
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