NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
611488 | 2n9l | 25910 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -17.584 2.472 3.795 2 HA MET 1 HA MET 1 -16.020 2.535 1.287 3 HB2 MET 1 HB2 MET 1 -15.065 3.615 3.976 4 HB3 MET 1 HB3 MET 1 -14.233 3.686 2.428 5 HG2 MET 1 HG2 MET 1 -16.740 5.158 3.245 6 HG3 MET 1 HG3 MET 1 -15.182 5.835 2.799 7 HE1 MET 1 HE1 MET 1 -16.719 7.535 1.195 8 HE2 MET 1 HE2 MET 1 -17.841 6.897 -0.027 9 HE3 MET 1 HE3 MET 1 -18.158 6.631 1.704 10 H GLY 2 H GLY 2 -13.551 1.661 2.147 11 HA2 GLY 2 HA2 GLY 2 -13.917 -0.777 3.770 12 HA3 GLY 2 HA3 GLY 2 -13.354 -0.936 2.093 13 H THR 3 H THR 3 -11.902 -1.355 4.766 14 HA THR 3 HA THR 3 -9.878 0.772 4.734 15 HB THR 3 HB THR 3 -10.187 -1.617 6.576 16 HG1 THR 3 HG1 THR 3 -11.229 -0.139 7.928 17 HG21 THR 3 HG21 THR 3 -8.853 -0.224 8.135 18 HG22 THR 3 HG22 THR 3 -7.944 -0.544 6.655 19 HG23 THR 3 HG23 THR 3 -8.708 1.043 6.896 20 H TYR 4 H TYR 4 -8.117 0.579 3.452 21 HA TYR 4 HA TYR 4 -7.286 -2.107 2.546 22 HB2 TYR 4 HB2 TYR 4 -6.939 0.691 1.503 23 HB3 TYR 4 HB3 TYR 4 -5.638 -0.452 1.227 24 HD1 TYR 4 HD1 TYR 4 -6.198 -2.777 0.233 25 HD2 TYR 4 HD2 TYR 4 -8.847 0.631 -0.008 26 HE1 TYR 4 HE1 TYR 4 -7.353 -3.829 -1.658 27 HE2 TYR 4 HE2 TYR 4 -10.035 -0.437 -1.900 28 HH TYR 4 HH TYR 4 -8.923 -3.426 -3.437 29 H LYS 5 H LYS 5 -5.599 -3.035 3.330 30 HA LYS 5 HA LYS 5 -3.950 -1.792 5.456 31 HB2 LYS 5 HB2 LYS 5 -4.284 -4.672 4.469 32 HB3 LYS 5 HB3 LYS 5 -3.274 -4.171 5.814 33 HG2 LYS 5 HG2 LYS 5 -5.657 -2.962 6.500 34 HG3 LYS 5 HG3 LYS 5 -6.258 -4.337 5.579 35 HD2 LYS 5 HD2 LYS 5 -5.112 -5.890 7.089 36 HD3 LYS 5 HD3 LYS 5 -4.307 -4.527 7.916 37 HE2 LYS 5 HE2 LYS 5 -6.571 -3.589 8.488 38 HE3 LYS 5 HE3 LYS 5 -7.313 -5.037 7.799 39 HZ1 LYS 5 HZ1 LYS 5 -6.014 -6.327 9.412 40 HZ2 LYS 5 HZ2 LYS 5 -5.479 -4.931 10.083 41 HZ3 LYS 5 HZ3 LYS 5 -7.100 -5.268 10.118 42 H LEU 6 H LEU 6 -2.096 -0.845 4.826 43 HA LEU 6 HA LEU 6 -0.956 -1.507 2.192 44 HB2 LEU 6 HB2 LEU 6 -1.503 0.876 3.166 45 HB3 LEU 6 HB3 LEU 6 -0.027 0.678 4.075 46 HG LEU 6 HG LEU 6 0.469 1.936 2.134 47 HD11 LEU 6 HD11 LEU 6 2.172 0.125 2.584 48 HD12 LEU 6 HD12 LEU 6 1.435 -0.802 1.258 49 HD13 LEU 6 HD13 LEU 6 2.144 0.782 0.941 50 HD21 LEU 6 HD21 LEU 6 -1.568 1.244 0.834 51 HD22 LEU 6 HD22 LEU 6 -0.090 1.268 -0.130 52 HD23 LEU 6 HD23 LEU 6 -0.769 -0.264 0.441 53 H ILE 7 H ILE 7 0.761 -2.879 2.087 54 HA ILE 7 HA ILE 7 2.509 -3.134 4.482 55 HB ILE 7 HB ILE 7 1.865 -5.401 2.566 56 HG12 ILE 7 HG12 ILE 7 0.840 -6.284 4.891 57 HG13 ILE 7 HG13 ILE 7 0.563 -4.569 5.168 58 HG21 ILE 7 HG21 ILE 7 3.356 -5.240 5.233 59 HG22 ILE 7 HG22 ILE 7 3.008 -6.733 4.340 60 HG23 ILE 7 HG23 ILE 7 4.083 -5.524 3.637 61 HD11 ILE 7 HD11 ILE 7 -0.665 -4.584 2.879 62 HD12 ILE 7 HD12 ILE 7 -0.518 -6.338 2.933 63 HD13 ILE 7 HD13 ILE 7 -1.424 -5.487 4.201 64 H LEU 8 H LEU 8 4.383 -2.284 4.098 65 HA LEU 8 HA LEU 8 5.398 -1.800 1.349 66 HB2 LEU 8 HB2 LEU 8 5.790 -0.657 4.054 67 HB3 LEU 8 HB3 LEU 8 7.325 -1.123 3.329 68 HG LEU 8 HG LEU 8 6.845 0.247 1.364 69 HD11 LEU 8 HD11 LEU 8 4.456 0.245 1.222 70 HD12 LEU 8 HD12 LEU 8 4.310 0.955 2.845 71 HD13 LEU 8 HD13 LEU 8 4.956 1.916 1.496 72 HD21 LEU 8 HD21 LEU 8 8.028 1.159 3.411 73 HD22 LEU 8 HD22 LEU 8 7.217 2.397 2.448 74 HD23 LEU 8 HD23 LEU 8 6.474 1.814 3.955 75 H ASN 9 H ASN 9 6.412 -3.587 0.439 76 HA ASN 9 HA ASN 9 7.859 -5.474 2.239 77 HB2 ASN 9 HB2 ASN 9 5.829 -6.493 1.350 78 HB3 ASN 9 HB3 ASN 9 6.246 -5.971 -0.292 79 HD21 ASN 9 HD22 ASN 9 6.759 -7.890 -1.403 80 HD22 ASN 9 HD21 ASN 9 8.009 -8.975 -0.827 81 H GLY 10 H GLY 10 9.703 -3.958 1.986 82 HA2 GLY 10 HA2 GLY 10 10.740 -3.703 -0.764 83 HA3 GLY 10 HA3 GLY 10 11.245 -2.806 0.665 84 H LYS 11 H LYS 11 13.057 -3.742 -0.942 85 HA LYS 11 HA LYS 11 14.171 -6.300 -0.075 86 HB2 LYS 11 HB2 LYS 11 15.734 -6.023 -1.791 87 HB3 LYS 11 HB3 LYS 11 14.250 -5.366 -2.445 88 HG2 LYS 11 HG2 LYS 11 16.686 -3.815 -1.473 89 HG3 LYS 11 HG3 LYS 11 16.126 -4.021 -3.114 90 HD2 LYS 11 HD2 LYS 11 13.988 -2.743 -2.410 91 HD3 LYS 11 HD3 LYS 11 14.877 -2.349 -0.929 92 HE2 LYS 11 HE2 LYS 11 15.299 -0.504 -2.291 93 HE3 LYS 11 HE3 LYS 11 16.758 -1.495 -2.455 94 HZ1 LYS 11 HZ1 LYS 11 16.096 -0.810 -4.623 95 HZ2 LYS 11 HZ2 LYS 11 15.583 -2.393 -4.555 96 HZ3 LYS 11 HZ3 LYS 11 14.551 -1.131 -4.368 97 H THR 12 H THR 12 14.056 -3.461 1.518 98 HA THR 12 HA THR 12 16.623 -3.955 2.899 99 HB THR 12 HB THR 12 15.764 -1.175 2.012 100 HG1 THR 12 HG1 THR 12 17.671 -2.899 0.804 101 HG21 THR 12 HG21 THR 12 17.292 -1.286 3.982 102 HG22 THR 12 HG22 THR 12 18.452 -2.202 2.992 103 HG23 THR 12 HG23 THR 12 18.031 -0.525 2.587 104 H LEU 13 H LEU 13 13.354 -2.433 2.914 105 HA LEU 13 HA LEU 13 13.237 -2.799 5.760 106 HB2 LEU 13 HB2 LEU 13 12.704 -0.590 6.381 107 HB3 LEU 13 HB3 LEU 13 14.223 -0.536 5.537 108 HG LEU 13 HG LEU 13 13.076 1.376 4.947 109 HD11 LEU 13 HD11 LEU 13 12.632 -0.408 2.543 110 HD12 LEU 13 HD12 LEU 13 12.803 1.354 2.561 111 HD13 LEU 13 HD13 LEU 13 14.175 0.345 3.023 112 HD21 LEU 13 HD21 LEU 13 10.864 1.655 4.174 113 HD22 LEU 13 HD22 LEU 13 10.585 -0.086 4.039 114 HD23 LEU 13 HD23 LEU 13 10.784 0.670 5.638 115 H LYS 14 H LYS 14 10.995 -2.303 6.524 116 HA LYS 14 HA LYS 14 8.909 -2.654 4.454 117 HB2 LYS 14 HB2 LYS 14 9.314 -4.410 6.918 118 HB3 LYS 14 HB3 LYS 14 7.864 -4.382 5.914 119 HG2 LYS 14 HG2 LYS 14 9.299 -4.968 3.912 120 HG3 LYS 14 HG3 LYS 14 10.636 -5.258 5.039 121 HD2 LYS 14 HD2 LYS 14 9.268 -6.916 6.254 122 HD3 LYS 14 HD3 LYS 14 7.902 -6.577 5.162 123 HE2 LYS 14 HE2 LYS 14 9.590 -7.179 3.263 124 HE3 LYS 14 HE3 LYS 14 10.543 -7.940 4.540 125 HZ1 LYS 14 HZ1 LYS 14 8.537 -9.314 5.029 126 HZ2 LYS 14 HZ2 LYS 14 7.720 -8.523 3.866 127 HZ3 LYS 14 HZ3 LYS 14 9.002 -9.456 3.437 128 H GLY 15 H GLY 15 6.666 -2.415 5.488 129 HA2 GLY 15 HA2 GLY 15 6.508 -0.872 7.950 130 HA3 GLY 15 HA3 GLY 15 6.178 0.064 6.478 131 H GLU 16 H GLU 16 4.220 -0.530 8.512 132 HA GLU 16 HA GLU 16 2.247 -1.976 6.836 133 HB2 GLU 16 HB2 GLU 16 3.281 -3.615 8.474 134 HB3 GLU 16 HB3 GLU 16 2.651 -2.610 9.787 135 HG2 GLU 16 HG2 GLU 16 0.357 -2.873 8.669 136 HG3 GLU 16 HG3 GLU 16 1.088 -4.084 7.616 137 H THR 17 H THR 17 0.583 -0.484 6.608 138 HA THR 17 HA THR 17 -0.273 1.137 8.937 139 HB THR 17 HB THR 17 -0.456 3.084 7.249 140 HG1 THR 17 HG1 THR 17 1.139 3.052 5.659 141 HG21 THR 17 HG21 THR 17 1.173 3.036 9.150 142 HG22 THR 17 HG22 THR 17 2.359 2.258 8.082 143 HG23 THR 17 HG23 THR 17 1.781 3.897 7.730 144 H THR 18 H THR 18 -2.491 2.246 8.341 145 HA THR 18 HA THR 18 -4.058 0.552 6.436 146 HB THR 18 HB THR 18 -5.821 0.491 8.306 147 HG1 THR 18 HG1 THR 18 -4.803 2.009 9.724 148 HG21 THR 18 HG21 THR 18 -4.408 -1.504 7.709 149 HG22 THR 18 HG22 THR 18 -3.298 -1.046 9.017 150 HG23 THR 18 HG23 THR 18 -4.976 -1.475 9.388 151 H THR 19 H THR 19 -5.641 1.749 5.337 152 HA THR 19 HA THR 19 -6.664 4.198 6.459 153 HB THR 19 HB THR 19 -4.974 4.376 3.944 154 HG1 THR 19 HG1 THR 19 -4.373 4.623 6.432 155 HG21 THR 19 HG21 THR 19 -6.698 6.501 5.274 156 HG22 THR 19 HG22 THR 19 -5.569 6.766 3.931 157 HG23 THR 19 HG23 THR 19 -7.019 5.778 3.690 158 H GLU 20 H GLU 20 -8.780 4.554 5.712 159 HA GLU 20 HA GLU 20 -9.767 2.562 3.758 160 HB2 GLU 20 HB2 GLU 20 -11.928 2.831 4.792 161 HB3 GLU 20 HB3 GLU 20 -10.708 2.534 6.033 162 HG2 GLU 20 HG2 GLU 20 -10.657 5.186 6.209 163 HG3 GLU 20 HG3 GLU 20 -12.239 5.062 5.430 164 H ALA 21 H ALA 21 -11.067 3.156 2.032 165 HA ALA 21 HA ALA 21 -11.615 5.934 1.380 166 HB1 ALA 21 HB1 ALA 21 -9.204 5.675 0.692 167 HB2 ALA 21 HB2 ALA 21 -9.676 4.302 -0.341 168 HB3 ALA 21 HB3 ALA 21 -10.300 5.937 -0.671 169 H VAL 22 H VAL 22 -12.663 5.949 -0.913 170 HA VAL 22 HA VAL 22 -14.676 3.898 -0.934 171 HB VAL 22 HB VAL 22 -14.976 6.305 -1.597 172 HG11 VAL 22 HG11 VAL 22 -14.479 7.071 -3.820 173 HG12 VAL 22 HG12 VAL 22 -12.963 6.480 -3.123 174 HG13 VAL 22 HG13 VAL 22 -13.841 5.495 -4.303 175 HG21 VAL 22 HG21 VAL 22 -15.937 4.282 -3.655 176 HG22 VAL 22 HG22 VAL 22 -16.687 4.591 -2.076 177 HG23 VAL 22 HG23 VAL 22 -16.654 5.862 -3.304 178 H ASP 23 H ASP 23 -11.527 4.239 -2.655 179 HA ASP 23 HA ASP 23 -11.969 1.540 -3.596 180 HB2 ASP 23 HB2 ASP 23 -12.870 3.387 -5.322 181 HB3 ASP 23 HB3 ASP 23 -11.168 3.473 -5.763 182 H ALA 24 H ALA 24 -10.139 0.692 -4.821 183 HA ALA 24 HA ALA 24 -7.761 0.712 -3.366 184 HB1 ALA 24 HB1 ALA 24 -8.501 -1.142 -4.791 185 HB2 ALA 24 HB2 ALA 24 -8.311 -0.152 -6.239 186 HB3 ALA 24 HB3 ALA 24 -6.890 -0.621 -5.305 187 H ALA 25 H ALA 25 -8.441 2.419 -6.484 188 HA ALA 25 HA ALA 25 -5.870 3.437 -6.901 189 HB1 ALA 25 HB1 ALA 25 -7.668 3.596 -8.566 190 HB2 ALA 25 HB2 ALA 25 -8.557 4.743 -7.537 191 HB3 ALA 25 HB3 ALA 25 -6.990 5.201 -8.246 192 H THR 26 H THR 26 -8.319 4.633 -4.544 193 HA THR 26 HA THR 26 -6.863 7.137 -4.121 194 HB THR 26 HB THR 26 -9.098 5.840 -2.527 195 HG1 THR 26 HG1 THR 26 -10.278 7.531 -3.754 196 HG21 THR 26 HG21 THR 26 -7.857 7.601 -1.248 197 HG22 THR 26 HG22 THR 26 -8.095 8.733 -2.592 198 HG23 THR 26 HG23 THR 26 -9.482 8.131 -1.659 199 H ALA 27 H ALA 27 -7.039 3.887 -2.616 200 HA ALA 27 HA ALA 27 -5.494 4.513 -0.320 201 HB1 ALA 27 HB1 ALA 27 -5.632 1.866 -1.853 202 HB2 ALA 27 HB2 ALA 27 -5.063 2.084 -0.195 203 HB3 ALA 27 HB3 ALA 27 -6.772 2.381 -0.595 204 H GLU 28 H GLU 28 -4.528 3.183 -3.469 205 HA GLU 28 HA GLU 28 -1.744 3.154 -3.095 206 HB2 GLU 28 HB2 GLU 28 -3.015 1.999 -4.874 207 HB3 GLU 28 HB3 GLU 28 -3.470 3.553 -5.567 208 HG2 GLU 28 HG2 GLU 28 -0.638 3.640 -5.487 209 HG3 GLU 28 HG3 GLU 28 -1.008 1.972 -5.906 210 H LYS 29 H LYS 29 -3.718 5.702 -4.766 211 HA LYS 29 HA LYS 29 -1.596 7.418 -5.352 212 HB2 LYS 29 HB2 LYS 29 -3.800 7.718 -6.292 213 HB3 LYS 29 HB3 LYS 29 -4.506 8.059 -4.699 214 HG2 LYS 29 HG2 LYS 29 -3.352 10.165 -4.526 215 HG3 LYS 29 HG3 LYS 29 -2.274 9.746 -5.866 216 HD2 LYS 29 HD2 LYS 29 -3.851 11.383 -6.613 217 HD3 LYS 29 HD3 LYS 29 -4.146 9.843 -7.433 218 HE2 LYS 29 HE2 LYS 29 -6.051 9.378 -5.943 219 HE3 LYS 29 HE3 LYS 29 -5.722 10.861 -5.023 220 HZ1 LYS 29 HZ1 LYS 29 -6.403 10.819 -7.892 221 HZ2 LYS 29 HZ2 LYS 29 -7.495 11.091 -6.666 222 HZ3 LYS 29 HZ3 LYS 29 -6.270 12.154 -6.941 223 H VAL 30 H VAL 30 -3.501 7.289 -2.299 224 HA VAL 30 HA VAL 30 -2.140 9.584 -1.173 225 HB VAL 30 HB VAL 30 -3.941 7.390 -0.067 226 HG11 VAL 30 HG11 VAL 30 -2.582 8.107 1.812 227 HG12 VAL 30 HG12 VAL 30 -2.803 9.807 1.374 228 HG13 VAL 30 HG13 VAL 30 -4.174 8.838 1.960 229 HG21 VAL 30 HG21 VAL 30 -4.415 10.375 -0.555 230 HG22 VAL 30 HG22 VAL 30 -4.975 9.082 -1.630 231 HG23 VAL 30 HG23 VAL 30 -5.610 9.193 0.010 232 H PHE 31 H PHE 31 -1.897 6.003 -0.421 233 HA PHE 31 HA PHE 31 0.277 6.391 1.299 234 HB2 PHE 31 HB2 PHE 31 -0.772 3.983 -0.188 235 HB3 PHE 31 HB3 PHE 31 0.698 3.883 0.761 236 HD1 PHE 31 HD2 PHE 31 0.464 5.188 3.202 237 HD2 PHE 31 HD1 PHE 31 -2.671 3.198 1.005 238 HE1 PHE 31 HE2 PHE 31 -0.658 4.636 5.319 239 HE2 PHE 31 HE1 PHE 31 -3.740 2.541 3.156 240 HZ PHE 31 HZ PHE 31 -2.703 3.241 5.314 241 H LYS 32 H LYS 32 0.462 6.375 -2.217 242 HA LYS 32 HA LYS 32 3.149 5.505 -2.457 243 HB2 LYS 32 HB2 LYS 32 1.590 5.831 -4.337 244 HB3 LYS 32 HB3 LYS 32 1.693 7.580 -4.125 245 HG2 LYS 32 HG2 LYS 32 4.188 7.410 -4.568 246 HG3 LYS 32 HG3 LYS 32 3.958 5.676 -4.868 247 HD2 LYS 32 HD2 LYS 32 2.334 6.290 -6.704 248 HD3 LYS 32 HD3 LYS 32 2.712 7.999 -6.397 249 HE2 LYS 32 HE2 LYS 32 5.151 7.447 -6.802 250 HE3 LYS 32 HE3 LYS 32 4.657 5.818 -7.270 251 HZ1 LYS 32 HZ1 LYS 32 3.826 8.312 -8.604 252 HZ2 LYS 32 HZ2 LYS 32 4.907 7.232 -9.176 253 HZ3 LYS 32 HZ3 LYS 32 3.299 6.813 -9.021 254 H GLN 33 H GLN 33 1.915 8.608 -1.276 255 HA GLN 33 HA GLN 33 4.261 10.172 -1.473 256 HB2 GLN 33 HB2 GLN 33 2.164 10.073 0.760 257 HB3 GLN 33 HB3 GLN 33 3.363 11.343 0.545 258 HG2 GLN 33 HG2 GLN 33 2.285 11.914 -1.648 259 HG3 GLN 33 HG3 GLN 33 1.037 10.701 -1.302 260 HE21 GLN 33 HE22 GLN 33 2.504 13.757 -0.113 261 HE22 GLN 33 HE21 GLN 33 1.089 14.270 0.777 262 H TYR 34 H TYR 34 3.064 8.260 1.252 263 HA TYR 34 HA TYR 34 5.336 8.355 2.914 264 HB2 TYR 34 HB2 TYR 34 3.466 7.894 4.091 265 HB3 TYR 34 HB3 TYR 34 2.686 7.043 2.803 266 HD1 TYR 34 HD2 TYR 34 5.231 6.609 5.511 267 HD2 TYR 34 HD1 TYR 34 2.653 4.680 2.644 268 HE1 TYR 34 HE2 TYR 34 5.638 4.423 6.609 269 HE2 TYR 34 HE1 TYR 34 3.014 2.523 3.751 270 HH TYR 34 HH TYR 34 3.983 1.415 5.562 271 H ALA 35 H ALA 35 4.280 5.845 0.544 272 HA ALA 35 HA ALA 35 6.189 3.924 1.249 273 HB1 ALA 35 HB1 ALA 35 5.862 3.011 -1.015 274 HB2 ALA 35 HB2 ALA 35 4.311 3.490 -0.294 275 HB3 ALA 35 HB3 ALA 35 5.085 4.522 -1.526 276 H ASN 36 H ASN 36 6.495 6.389 -1.372 277 HA ASN 36 HA ASN 36 9.243 5.733 -1.797 278 HB2 ASN 36 HB2 ASN 36 7.724 6.845 -3.468 279 HB3 ASN 36 HB3 ASN 36 7.880 8.344 -2.533 280 HD21 ASN 36 HD22 ASN 36 9.297 9.629 -3.788 281 HD22 ASN 36 HD21 ASN 36 10.801 9.019 -4.482 282 H ASP 37 H ASP 37 7.676 7.976 0.457 283 HA ASP 37 HA ASP 37 10.037 9.544 1.060 284 HB2 ASP 37 HB2 ASP 37 7.732 10.258 1.685 285 HB3 ASP 37 HB3 ASP 37 7.642 8.926 2.837 286 H ASN 38 H ASN 38 8.660 6.473 2.247 287 HA ASN 38 HA ASN 38 10.573 6.206 4.400 288 HB2 ASN 38 HB2 ASN 38 8.154 5.273 4.262 289 HB3 ASN 38 HB3 ASN 38 8.867 3.962 3.307 290 HD21 ASN 38 HD22 ASN 38 7.880 2.785 5.346 291 HD22 ASN 38 HD21 ASN 38 8.941 2.682 6.746 292 H GLY 39 H GLY 39 10.593 5.373 1.020 293 HA2 GLY 39 HA2 GLY 39 12.733 4.935 -0.017 294 HA3 GLY 39 HA3 GLY 39 13.234 4.010 1.400 295 H VAL 40 H VAL 40 9.968 3.577 -0.099 296 HA VAL 40 HA VAL 40 10.930 1.020 -1.241 297 HB VAL 40 HB VAL 40 8.306 1.411 0.212 298 HG11 VAL 40 HG11 VAL 40 8.163 -1.101 -0.035 299 HG12 VAL 40 HG12 VAL 40 8.159 -0.270 -1.592 300 HG13 VAL 40 HG13 VAL 40 9.638 -1.058 -1.016 301 HG21 VAL 40 HG21 VAL 40 10.831 -0.059 1.081 302 HG22 VAL 40 HG22 VAL 40 10.096 1.350 1.875 303 HG23 VAL 40 HG23 VAL 40 9.268 -0.215 1.883 304 H ASP 41 H ASP 41 10.489 0.828 -3.305 305 HA ASP 41 HA ASP 41 8.167 2.178 -4.508 306 HB2 ASP 41 HB2 ASP 41 10.134 3.780 -4.617 307 HB3 ASP 41 HB3 ASP 41 10.975 2.593 -5.628 308 H GLY 42 H GLY 42 7.202 0.267 -5.028 309 HA2 GLY 42 HA2 GLY 42 8.640 -1.510 -6.902 310 HA3 GLY 42 HA3 GLY 42 8.016 -2.183 -5.404 311 H GLU 43 H GLU 43 6.782 -3.562 -6.660 312 HA GLU 43 HA GLU 43 4.709 -2.664 -8.481 313 HB2 GLU 43 HB2 GLU 43 6.207 -4.641 -8.754 314 HB3 GLU 43 HB3 GLU 43 5.401 -5.422 -7.391 315 HG2 GLU 43 HG2 GLU 43 3.275 -5.436 -8.615 316 HG3 GLU 43 HG3 GLU 43 3.988 -4.450 -9.916 317 H TRP 44 H TRP 44 2.987 -1.748 -7.629 318 HA TRP 44 HA TRP 44 1.839 -2.275 -5.034 319 HB2 TRP 44 HB2 TRP 44 0.926 -0.651 -7.464 320 HB3 TRP 44 HB3 TRP 44 0.124 -0.641 -5.894 321 HD1 TRP 44 HD1 TRP 44 3.567 0.322 -7.408 322 HE1 TRP 44 HE1 TRP 44 4.594 2.194 -6.028 323 HE3 TRP 44 HE3 TRP 44 -0.099 0.814 -3.886 324 HZ2 TRP 44 HZ2 TRP 44 4.095 3.467 -3.481 325 HZ3 TRP 44 HZ3 TRP 44 0.193 2.398 -1.993 326 HH2 TRP 44 HH2 TRP 44 2.312 3.639 -1.719 327 H THR 45 H THR 45 0.728 -4.216 -4.719 328 HA THR 45 HA THR 45 -1.181 -5.120 -6.853 329 HB THR 45 HB THR 45 0.572 -6.828 -5.078 330 HG1 THR 45 HG1 THR 45 1.628 -5.539 -6.766 331 HG21 THR 45 HG21 THR 45 -1.084 -7.535 -7.527 332 HG22 THR 45 HG22 THR 45 -0.006 -8.627 -6.651 333 HG23 THR 45 HG23 THR 45 -1.464 -8.003 -5.853 334 H TYR 46 H TYR 46 -3.257 -5.362 -6.100 335 HA TYR 46 HA TYR 46 -3.695 -5.338 -3.177 336 HB2 TYR 46 HB2 TYR 46 -5.732 -4.194 -3.538 337 HB3 TYR 46 HB3 TYR 46 -4.453 -3.325 -4.337 338 HD1 TYR 46 HD2 TYR 46 -7.357 -5.587 -4.908 339 HD2 TYR 46 HD1 TYR 46 -4.518 -2.882 -6.726 340 HE1 TYR 46 HE2 TYR 46 -8.598 -5.678 -7.027 341 HE2 TYR 46 HE1 TYR 46 -5.808 -2.964 -8.847 342 HH TYR 46 HH TYR 46 -8.391 -5.318 -9.324 343 H ASP 47 H ASP 47 -5.364 -6.472 -2.250 344 HA ASP 47 HA ASP 47 -6.578 -8.723 -3.756 345 HB2 ASP 47 HB2 ASP 47 -4.588 -9.575 -2.599 346 HB3 ASP 47 HB3 ASP 47 -5.148 -8.887 -1.069 347 H ASP 48 H ASP 48 -8.729 -8.123 -3.603 348 HA ASP 48 HA ASP 48 -9.621 -6.369 -1.457 349 HB2 ASP 48 HB2 ASP 48 -11.627 -6.137 -2.501 350 HB3 ASP 48 HB3 ASP 48 -10.544 -6.358 -3.833 351 H ALA 49 H ALA 49 -9.570 -9.858 -1.947 352 HA ALA 49 HA ALA 49 -11.662 -10.537 -0.145 353 HB1 ALA 49 HB1 ALA 49 -9.141 -12.093 -0.828 354 HB2 ALA 49 HB2 ALA 49 -10.611 -12.755 -0.076 355 HB3 ALA 49 HB3 ALA 49 -10.668 -12.132 -1.738 356 H THR 50 H THR 50 -8.173 -10.004 0.390 357 HA THR 50 HA THR 50 -8.518 -10.223 3.324 358 HB THR 50 HB THR 50 -5.909 -9.807 1.863 359 HG1 THR 50 HG1 THR 50 -6.663 -11.415 0.760 360 HG21 THR 50 HG21 THR 50 -6.659 -11.357 4.381 361 HG22 THR 50 HG22 THR 50 -5.027 -11.266 3.672 362 HG23 THR 50 HG23 THR 50 -5.790 -9.811 4.323 363 H LYS 51 H LYS 51 -8.495 -7.847 0.865 364 HA LYS 51 HA LYS 51 -8.453 -5.634 0.772 365 HB2 LYS 51 HB2 LYS 51 -8.959 -5.708 3.771 366 HB3 LYS 51 HB3 LYS 51 -9.034 -4.281 2.731 367 HG2 LYS 51 HG2 LYS 51 -10.816 -5.214 1.406 368 HG3 LYS 51 HG3 LYS 51 -10.779 -6.731 2.339 369 HD2 LYS 51 HD2 LYS 51 -11.505 -5.630 4.345 370 HD3 LYS 51 HD3 LYS 51 -11.263 -4.029 3.638 371 HE2 LYS 51 HE2 LYS 51 -13.639 -4.652 3.781 372 HE3 LYS 51 HE3 LYS 51 -13.112 -4.260 2.147 373 HZ1 LYS 51 HZ1 LYS 51 -13.217 -6.455 1.518 374 HZ2 LYS 51 HZ2 LYS 51 -13.288 -7.070 3.047 375 HZ3 LYS 51 HZ3 LYS 51 -14.565 -6.257 2.420 376 H THR 52 H THR 52 -5.952 -7.107 0.986 377 HA THR 52 HA THR 52 -4.177 -5.199 2.369 378 HB THR 52 HB THR 52 -2.504 -7.071 1.695 379 HG1 THR 52 HG1 THR 52 -3.421 -9.037 1.222 380 HG21 THR 52 HG21 THR 52 -4.766 -7.696 3.659 381 HG22 THR 52 HG22 THR 52 -3.190 -8.509 3.607 382 HG23 THR 52 HG23 THR 52 -3.288 -6.793 4.026 383 H PHE 53 H PHE 53 -2.414 -4.296 1.215 384 HA PHE 53 HA PHE 53 -2.464 -4.355 -1.706 385 HB2 PHE 53 HB2 PHE 53 -3.940 -2.449 -0.526 386 HB3 PHE 53 HB3 PHE 53 -2.399 -1.653 -0.374 387 HD1 PHE 53 HD2 PHE 53 -1.340 -2.824 -3.211 388 HD2 PHE 53 HD1 PHE 53 -4.921 -0.788 -1.893 389 HE1 PHE 53 HE2 PHE 53 -1.669 -1.897 -5.479 390 HE2 PHE 53 HE1 PHE 53 -5.161 0.195 -4.144 391 HZ PHE 53 HZ PHE 53 -3.545 -0.349 -5.943 392 H THR 54 H THR 54 -0.468 -5.263 -1.804 393 HA THR 54 HA THR 54 1.649 -4.357 0.027 394 HB THR 54 HB THR 54 1.587 -6.768 -1.780 395 HG1 THR 54 HG1 THR 54 0.607 -7.837 -0.278 396 HG21 THR 54 HG21 THR 54 3.240 -6.131 0.707 397 HG22 THR 54 HG22 THR 54 3.257 -7.668 -0.180 398 HG23 THR 54 HG23 THR 54 3.841 -6.198 -0.963 399 H VAL 55 H VAL 55 3.543 -3.458 -0.661 400 HA VAL 55 HA VAL 55 3.841 -2.808 -3.568 401 HB VAL 55 HB VAL 55 5.036 -1.313 -1.177 402 HG11 VAL 55 HG11 VAL 55 6.314 -1.135 -3.291 403 HG12 VAL 55 HG12 VAL 55 4.843 -0.616 -4.149 404 HG13 VAL 55 HG13 VAL 55 5.552 0.409 -2.877 405 HG21 VAL 55 HG21 VAL 55 2.596 -0.631 -2.835 406 HG22 VAL 55 HG22 VAL 55 2.660 -0.946 -1.072 407 HG23 VAL 55 HG23 VAL 55 3.424 0.500 -1.738 408 H THR 56 H THR 56 5.090 -4.563 -4.245 409 HA THR 56 HA THR 56 7.204 -5.581 -2.437 410 HB THR 56 HB THR 56 5.877 -6.776 -4.873 411 HG1 THR 56 HG1 THR 56 4.563 -7.121 -3.306 412 HG21 THR 56 HG21 THR 56 8.127 -7.865 -3.139 413 HG22 THR 56 HG22 THR 56 7.091 -8.868 -4.176 414 HG23 THR 56 HG23 THR 56 8.128 -7.623 -4.892 415 H GLU 57 H GLU 57 9.262 -4.945 -2.751 416 HA GLU 57 HA GLU 57 10.113 -4.063 -5.463 417 HB2 GLU 57 HB2 GLU 57 9.782 -2.123 -3.939 418 HB3 GLU 57 HB3 GLU 57 10.874 -2.872 -2.767 419 HG2 GLU 57 HG2 GLU 57 12.712 -2.797 -4.422 420 HG3 GLU 57 HG3 GLU 57 11.637 -2.084 -5.622 Start of MODEL 2 1 H1 MET 1 H MET 1 -16.407 4.012 4.166 2 HA MET 1 HA MET 1 -16.682 1.645 4.005 3 HB2 MET 1 HB2 MET 1 -15.066 2.558 1.611 4 HB3 MET 1 HB3 MET 1 -16.154 1.175 1.655 5 HG2 MET 1 HG2 MET 1 -18.079 2.448 1.665 6 HG3 MET 1 HG3 MET 1 -17.267 3.883 2.285 7 HE1 MET 1 HE1 MET 1 -18.625 3.760 -1.765 8 HE2 MET 1 HE2 MET 1 -18.757 2.318 -0.741 9 HE3 MET 1 HE3 MET 1 -19.360 3.885 -0.148 10 H GLY 2 H GLY 2 -14.910 -0.073 2.379 11 HA2 GLY 2 HA2 GLY 2 -13.571 -1.461 4.344 12 HA3 GLY 2 HA3 GLY 2 -13.216 -1.532 2.609 13 H THR 3 H THR 3 -11.485 -1.610 5.094 14 HA THR 3 HA THR 3 -9.763 0.735 4.760 15 HB THR 3 HB THR 3 -9.201 -1.520 6.652 16 HG1 THR 3 HG1 THR 3 -11.203 0.386 7.329 17 HG21 THR 3 HG21 THR 3 -7.741 0.467 6.565 18 HG22 THR 3 HG22 THR 3 -9.117 1.498 7.024 19 HG23 THR 3 HG23 THR 3 -8.513 0.259 8.146 20 H TYR 4 H TYR 4 -7.998 0.547 3.379 21 HA TYR 4 HA TYR 4 -7.325 -2.172 2.354 22 HB2 TYR 4 HB2 TYR 4 -6.546 0.622 1.449 23 HB3 TYR 4 HB3 TYR 4 -5.842 -0.853 0.813 24 HD1 TYR 4 HD1 TYR 4 -7.262 -2.499 -0.467 25 HD2 TYR 4 HD2 TYR 4 -8.652 1.450 0.589 26 HE1 TYR 4 HE1 TYR 4 -9.008 -2.666 -2.194 27 HE2 TYR 4 HE2 TYR 4 -10.425 1.279 -1.158 28 HH TYR 4 HH TYR 4 -11.005 -1.723 -2.980 29 H LYS 5 H LYS 5 -5.816 -3.194 3.528 30 HA LYS 5 HA LYS 5 -4.131 -1.756 5.445 31 HB2 LYS 5 HB2 LYS 5 -4.062 -4.685 4.561 32 HB3 LYS 5 HB3 LYS 5 -3.219 -3.982 5.943 33 HG2 LYS 5 HG2 LYS 5 -5.432 -3.448 6.997 34 HG3 LYS 5 HG3 LYS 5 -6.253 -4.129 5.598 35 HD2 LYS 5 HD2 LYS 5 -6.268 -5.700 7.434 36 HD3 LYS 5 HD3 LYS 5 -5.318 -6.349 6.088 37 HE2 LYS 5 HE2 LYS 5 -3.231 -5.643 7.238 38 HE3 LYS 5 HE3 LYS 5 -4.179 -4.965 8.571 39 HZ1 LYS 5 HZ1 LYS 5 -3.290 -7.193 8.981 40 HZ2 LYS 5 HZ2 LYS 5 -4.954 -7.199 9.062 41 HZ3 LYS 5 HZ3 LYS 5 -4.164 -7.809 7.755 42 H LEU 6 H LEU 6 -2.121 -0.940 4.978 43 HA LEU 6 HA LEU 6 -1.035 -1.470 2.282 44 HB2 LEU 6 HB2 LEU 6 -1.572 0.891 3.216 45 HB3 LEU 6 HB3 LEU 6 -0.189 0.673 4.264 46 HG LEU 6 HG LEU 6 0.539 1.951 2.412 47 HD11 LEU 6 HD11 LEU 6 2.260 0.767 1.325 48 HD12 LEU 6 HD12 LEU 6 2.135 0.046 2.943 49 HD13 LEU 6 HD13 LEU 6 1.472 -0.792 1.516 50 HD21 LEU 6 HD21 LEU 6 -0.751 -0.122 0.606 51 HD22 LEU 6 HD22 LEU 6 -1.313 1.518 0.885 52 HD23 LEU 6 HD23 LEU 6 0.218 1.261 0.046 53 H ILE 7 H ILE 7 0.612 -2.883 2.187 54 HA ILE 7 HA ILE 7 2.336 -3.270 4.586 55 HB ILE 7 HB ILE 7 1.552 -5.394 2.554 56 HG12 ILE 7 HG12 ILE 7 0.673 -6.532 4.720 57 HG13 ILE 7 HG13 ILE 7 0.600 -4.911 5.401 58 HG21 ILE 7 HG21 ILE 7 3.873 -5.611 3.423 59 HG22 ILE 7 HG22 ILE 7 3.258 -5.528 5.088 60 HG23 ILE 7 HG23 ILE 7 2.841 -6.899 4.035 61 HD11 ILE 7 HD11 ILE 7 -1.564 -5.787 4.375 62 HD12 ILE 7 HD12 ILE 7 -1.042 -4.253 3.731 63 HD13 ILE 7 HD13 ILE 7 -0.776 -5.735 2.790 64 H LEU 8 H LEU 8 4.239 -2.477 4.204 65 HA LEU 8 HA LEU 8 5.168 -1.918 1.437 66 HB2 LEU 8 HB2 LEU 8 5.157 -0.388 3.839 67 HB3 LEU 8 HB3 LEU 8 6.805 -1.004 3.696 68 HG LEU 8 HG LEU 8 7.008 -0.035 1.470 69 HD11 LEU 8 HD11 LEU 8 4.363 1.355 2.007 70 HD12 LEU 8 HD12 LEU 8 5.435 1.594 0.615 71 HD13 LEU 8 HD13 LEU 8 4.589 0.062 0.810 72 HD21 LEU 8 HD21 LEU 8 7.719 1.162 3.535 73 HD22 LEU 8 HD22 LEU 8 7.224 2.282 2.259 74 HD23 LEU 8 HD23 LEU 8 6.124 1.950 3.616 75 H ASN 9 H ASN 9 6.475 -3.522 0.596 76 HA ASN 9 HA ASN 9 8.098 -5.167 2.452 77 HB2 ASN 9 HB2 ASN 9 6.192 -6.529 1.839 78 HB3 ASN 9 HB3 ASN 9 6.329 -6.045 0.141 79 HD21 ASN 9 HD22 ASN 9 7.175 -7.710 -1.057 80 HD22 ASN 9 HD21 ASN 9 8.683 -8.470 -0.657 81 H GLY 10 H GLY 10 10.275 -4.750 1.906 82 HA2 GLY 10 HA2 GLY 10 10.919 -4.614 -0.949 83 HA3 GLY 10 HA3 GLY 10 11.261 -3.165 0.007 84 H LYS 11 H LYS 11 13.351 -3.759 -0.996 85 HA LYS 11 HA LYS 11 14.809 -5.999 0.125 86 HB2 LYS 11 HB2 LYS 11 16.414 -5.642 -1.429 87 HB3 LYS 11 HB3 LYS 11 14.996 -5.058 -2.267 88 HG2 LYS 11 HG2 LYS 11 17.146 -3.318 -0.948 89 HG3 LYS 11 HG3 LYS 11 17.031 -3.740 -2.636 90 HD2 LYS 11 HD2 LYS 11 14.776 -2.574 -2.707 91 HD3 LYS 11 HD3 LYS 11 15.179 -1.905 -1.104 92 HE2 LYS 11 HE2 LYS 11 17.278 -0.940 -2.043 93 HE3 LYS 11 HE3 LYS 11 16.925 -1.705 -3.597 94 HZ1 LYS 11 HZ1 LYS 11 16.197 0.442 -3.897 95 HZ2 LYS 11 HZ2 LYS 11 14.820 -0.329 -3.555 96 HZ3 LYS 11 HZ3 LYS 11 15.501 0.559 -2.385 97 H THR 12 H THR 12 14.373 -2.838 1.398 98 HA THR 12 HA THR 12 16.857 -3.296 3.022 99 HB THR 12 HB THR 12 15.787 -0.573 2.213 100 HG1 THR 12 HG1 THR 12 17.262 -0.459 0.713 101 HG21 THR 12 HG21 THR 12 18.316 -1.512 3.634 102 HG22 THR 12 HG22 THR 12 18.165 0.100 2.919 103 HG23 THR 12 HG23 THR 12 17.080 -0.378 4.223 104 H LEU 13 H LEU 13 13.474 -2.162 3.019 105 HA LEU 13 HA LEU 13 13.357 -2.589 5.871 106 HB2 LEU 13 HB2 LEU 13 12.535 -0.426 6.458 107 HB3 LEU 13 HB3 LEU 13 14.079 -0.229 5.684 108 HG LEU 13 HG LEU 13 12.784 1.550 4.989 109 HD11 LEU 13 HD11 LEU 13 12.575 -0.296 2.608 110 HD12 LEU 13 HD12 LEU 13 12.623 1.477 2.613 111 HD13 LEU 13 HD13 LEU 13 14.046 0.574 3.132 112 HD21 LEU 13 HD21 LEU 13 10.600 1.594 4.102 113 HD22 LEU 13 HD22 LEU 13 10.477 -0.162 4.026 114 HD23 LEU 13 HD23 LEU 13 10.546 0.670 5.603 115 H LYS 14 H LYS 14 11.049 -2.244 6.594 116 HA LYS 14 HA LYS 14 9.029 -2.889 4.509 117 HB2 LYS 14 HB2 LYS 14 9.550 -4.365 7.117 118 HB3 LYS 14 HB3 LYS 14 8.044 -4.486 6.196 119 HG2 LYS 14 HG2 LYS 14 9.204 -5.362 4.248 120 HG3 LYS 14 HG3 LYS 14 10.777 -5.187 5.039 121 HD2 LYS 14 HD2 LYS 14 10.159 -6.787 6.754 122 HD3 LYS 14 HD3 LYS 14 8.508 -6.873 6.145 123 HE2 LYS 14 HE2 LYS 14 10.551 -7.460 4.089 124 HE3 LYS 14 HE3 LYS 14 10.606 -8.582 5.451 125 HZ1 LYS 14 HZ1 LYS 14 9.078 -9.249 3.651 126 HZ2 LYS 14 HZ2 LYS 14 8.296 -9.111 5.097 127 HZ3 LYS 14 HZ3 LYS 14 8.129 -7.944 3.977 128 H GLY 15 H GLY 15 6.780 -2.524 5.407 129 HA2 GLY 15 HA2 GLY 15 6.582 -0.626 7.651 130 HA3 GLY 15 HA3 GLY 15 6.183 -0.013 6.043 131 H GLU 16 H GLU 16 4.292 -0.236 8.175 132 HA GLU 16 HA GLU 16 2.273 -1.869 6.839 133 HB2 GLU 16 HB2 GLU 16 3.465 -3.458 8.414 134 HB3 GLU 16 HB3 GLU 16 2.992 -2.407 9.752 135 HG2 GLU 16 HG2 GLU 16 0.578 -2.726 9.001 136 HG3 GLU 16 HG3 GLU 16 1.165 -3.901 7.830 137 H THR 17 H THR 17 0.500 -0.517 6.781 138 HA THR 17 HA THR 17 -0.244 1.120 9.099 139 HB THR 17 HB THR 17 -0.562 3.048 7.327 140 HG1 THR 17 HG1 THR 17 1.794 1.983 6.251 141 HG21 THR 17 HG21 THR 17 2.253 2.505 8.346 142 HG22 THR 17 HG22 THR 17 1.567 4.058 7.837 143 HG23 THR 17 HG23 THR 17 0.942 3.246 9.281 144 H THR 18 H THR 18 -2.512 2.164 8.588 145 HA THR 18 HA THR 18 -3.998 0.564 6.544 146 HB THR 18 HB THR 18 -5.816 0.428 8.408 147 HG1 THR 18 HG1 THR 18 -4.565 1.716 9.953 148 HG21 THR 18 HG21 THR 18 -3.347 -1.316 8.762 149 HG22 THR 18 HG22 THR 18 -5.037 -1.717 9.164 150 HG23 THR 18 HG23 THR 18 -4.555 -1.503 7.482 151 H THR 19 H THR 19 -5.574 1.752 5.460 152 HA THR 19 HA THR 19 -6.638 4.168 6.610 153 HB THR 19 HB THR 19 -4.925 4.365 4.109 154 HG1 THR 19 HG1 THR 19 -4.263 4.512 6.598 155 HG21 THR 19 HG21 THR 19 -6.618 6.473 5.514 156 HG22 THR 19 HG22 THR 19 -5.427 6.798 4.233 157 HG23 THR 19 HG23 THR 19 -6.864 5.842 3.869 158 H GLU 20 H GLU 20 -8.725 4.656 5.697 159 HA GLU 20 HA GLU 20 -9.662 2.575 3.781 160 HB2 GLU 20 HB2 GLU 20 -11.889 3.092 4.441 161 HB3 GLU 20 HB3 GLU 20 -10.951 2.631 5.860 162 HG2 GLU 20 HG2 GLU 20 -10.843 4.964 6.592 163 HG3 GLU 20 HG3 GLU 20 -11.607 5.513 5.088 164 H ALA 21 H ALA 21 -10.853 3.270 1.963 165 HA ALA 21 HA ALA 21 -10.775 6.105 1.207 166 HB1 ALA 21 HB1 ALA 21 -9.597 5.635 -0.906 167 HB2 ALA 21 HB2 ALA 21 -8.573 5.148 0.451 168 HB3 ALA 21 HB3 ALA 21 -9.456 3.916 -0.482 169 H VAL 22 H VAL 22 -11.807 6.071 -1.233 170 HA VAL 22 HA VAL 22 -14.268 4.411 -0.997 171 HB VAL 22 HB VAL 22 -14.685 6.746 -0.978 172 HG11 VAL 22 HG11 VAL 22 -14.134 8.225 -2.888 173 HG12 VAL 22 HG12 VAL 22 -12.703 7.701 -2.006 174 HG13 VAL 22 HG13 VAL 22 -13.114 6.955 -3.576 175 HG21 VAL 22 HG21 VAL 22 -15.418 5.807 -3.776 176 HG22 VAL 22 HG22 VAL 22 -16.263 5.303 -2.302 177 HG23 VAL 22 HG23 VAL 22 -16.253 7.006 -2.772 178 H ASP 23 H ASP 23 -11.293 4.677 -2.853 179 HA ASP 23 HA ASP 23 -12.126 2.408 -4.456 180 HB2 ASP 23 HB2 ASP 23 -11.838 5.179 -5.550 181 HB3 ASP 23 HB3 ASP 23 -10.834 3.983 -6.359 182 H ALA 24 H ALA 24 -10.278 1.259 -5.213 183 HA ALA 24 HA ALA 24 -8.033 1.350 -3.485 184 HB1 ALA 24 HB1 ALA 24 -8.529 -0.010 -6.152 185 HB2 ALA 24 HB2 ALA 24 -7.058 -0.262 -5.201 186 HB3 ALA 24 HB3 ALA 24 -8.639 -0.716 -4.536 187 H ALA 25 H ALA 25 -8.523 2.694 -6.765 188 HA ALA 25 HA ALA 25 -5.890 3.578 -7.260 189 HB1 ALA 25 HB1 ALA 25 -7.608 3.529 -8.987 190 HB2 ALA 25 HB2 ALA 25 -8.573 4.740 -8.112 191 HB3 ALA 25 HB3 ALA 25 -7.009 5.194 -8.818 192 H THR 26 H THR 26 -8.440 5.029 -5.214 193 HA THR 26 HA THR 26 -7.127 7.606 -4.976 194 HB THR 26 HB THR 26 -9.296 6.237 -3.315 195 HG1 THR 26 HG1 THR 26 -10.661 7.504 -4.601 196 HG21 THR 26 HG21 THR 26 -8.330 7.991 -1.959 197 HG22 THR 26 HG22 THR 26 -8.325 9.118 -3.323 198 HG23 THR 26 HG23 THR 26 -9.867 8.583 -2.609 199 H ALA 27 H ALA 27 -7.250 4.556 -3.072 200 HA ALA 27 HA ALA 27 -5.615 5.449 -0.919 201 HB1 ALA 27 HB1 ALA 27 -6.030 2.636 -2.041 202 HB2 ALA 27 HB2 ALA 27 -5.307 3.058 -0.486 203 HB3 ALA 27 HB3 ALA 27 -7.013 3.428 -0.783 204 H GLU 28 H GLU 28 -4.845 3.804 -3.965 205 HA GLU 28 HA GLU 28 -2.139 3.268 -3.797 206 HB2 GLU 28 HB2 GLU 28 -3.444 2.479 -5.628 207 HB3 GLU 28 HB3 GLU 28 -4.067 4.073 -5.962 208 HG2 GLU 28 HG2 GLU 28 -1.554 4.614 -6.674 209 HG3 GLU 28 HG3 GLU 28 -1.507 2.864 -6.887 210 H LYS 29 H LYS 29 -3.649 6.321 -5.005 211 HA LYS 29 HA LYS 29 -1.089 7.598 -5.339 212 HB2 LYS 29 HB2 LYS 29 -3.186 8.115 -6.610 213 HB3 LYS 29 HB3 LYS 29 -3.825 8.906 -5.157 214 HG2 LYS 29 HG2 LYS 29 -2.051 10.583 -5.226 215 HG3 LYS 29 HG3 LYS 29 -1.156 9.656 -6.437 216 HD2 LYS 29 HD2 LYS 29 -2.252 11.610 -7.443 217 HD3 LYS 29 HD3 LYS 29 -2.845 10.086 -8.117 218 HE2 LYS 29 HE2 LYS 29 -4.762 10.236 -6.407 219 HE3 LYS 29 HE3 LYS 29 -4.221 11.887 -6.069 220 HZ1 LYS 29 HZ1 LYS 29 -5.011 10.875 -8.723 221 HZ2 LYS 29 HZ2 LYS 29 -6.040 11.616 -7.683 222 HZ3 LYS 29 HZ3 LYS 29 -4.780 12.482 -8.286 223 H VAL 30 H VAL 30 -3.450 7.613 -2.615 224 HA VAL 30 HA VAL 30 -2.149 9.792 -1.248 225 HB VAL 30 HB VAL 30 -4.050 7.596 -0.355 226 HG11 VAL 30 HG11 VAL 30 -2.982 9.920 1.312 227 HG12 VAL 30 HG12 VAL 30 -4.353 8.877 1.755 228 HG13 VAL 30 HG13 VAL 30 -2.740 8.192 1.639 229 HG21 VAL 30 HG21 VAL 30 -4.400 10.615 -0.660 230 HG22 VAL 30 HG22 VAL 30 -4.958 9.413 -1.838 231 HG23 VAL 30 HG23 VAL 30 -5.662 9.462 -0.216 232 H PHE 31 H PHE 31 -1.981 6.197 -0.673 233 HA PHE 31 HA PHE 31 0.145 6.491 1.186 234 HB2 PHE 31 HB2 PHE 31 -1.144 4.188 -0.241 235 HB3 PHE 31 HB3 PHE 31 0.441 3.919 0.446 236 HD1 PHE 31 HD2 PHE 31 0.689 5.172 2.940 237 HD2 PHE 31 HD1 PHE 31 -2.822 3.348 1.221 238 HE1 PHE 31 HE2 PHE 31 -0.101 4.608 5.190 239 HE2 PHE 31 HE1 PHE 31 -3.558 2.694 3.509 240 HZ PHE 31 HZ PHE 31 -2.215 3.342 5.490 241 H LYS 32 H LYS 32 0.357 6.841 -2.219 242 HA LYS 32 HA LYS 32 2.915 5.719 -2.721 243 HB2 LYS 32 HB2 LYS 32 1.427 6.621 -4.484 244 HB3 LYS 32 HB3 LYS 32 1.660 8.262 -3.844 245 HG2 LYS 32 HG2 LYS 32 4.064 8.148 -4.334 246 HG3 LYS 32 HG3 LYS 32 3.881 6.474 -4.916 247 HD2 LYS 32 HD2 LYS 32 2.514 7.192 -6.745 248 HD3 LYS 32 HD3 LYS 32 2.372 8.843 -6.101 249 HE2 LYS 32 HE2 LYS 32 4.934 8.973 -6.221 250 HE3 LYS 32 HE3 LYS 32 4.873 7.449 -7.113 251 HZ1 LYS 32 HZ1 LYS 32 3.852 10.080 -7.958 252 HZ2 LYS 32 HZ2 LYS 32 4.907 9.093 -8.719 253 HZ3 LYS 32 HZ3 LYS 32 3.333 8.671 -8.666 254 H GLN 33 H GLN 33 1.943 8.784 -1.220 255 HA GLN 33 HA GLN 33 4.407 10.121 -1.090 256 HB2 GLN 33 HB2 GLN 33 2.175 10.030 1.000 257 HB3 GLN 33 HB3 GLN 33 3.467 11.235 0.900 258 HG2 GLN 33 HG2 GLN 33 2.589 11.946 -1.325 259 HG3 GLN 33 HG3 GLN 33 1.271 10.778 -1.166 260 HE21 GLN 33 HE22 GLN 33 -0.198 12.619 -1.344 261 HE22 GLN 33 HE21 GLN 33 -0.205 13.909 -0.144 262 H TYR 34 H TYR 34 2.926 7.984 1.360 263 HA TYR 34 HA TYR 34 5.080 7.811 3.147 264 HB2 TYR 34 HB2 TYR 34 2.981 7.213 3.920 265 HB3 TYR 34 HB3 TYR 34 2.599 6.248 2.518 266 HD1 TYR 34 HD2 TYR 34 4.682 6.235 5.643 267 HD2 TYR 34 HD1 TYR 34 2.795 3.916 2.527 268 HE1 TYR 34 HE2 TYR 34 4.962 4.190 7.005 269 HE2 TYR 34 HE1 TYR 34 3.034 1.881 3.906 270 HH TYR 34 HH TYR 34 4.427 1.878 7.194 271 H ALA 35 H ALA 35 4.277 5.668 0.346 272 HA ALA 35 HA ALA 35 6.335 3.785 0.843 273 HB1 ALA 35 HB1 ALA 35 6.098 3.175 -1.533 274 HB2 ALA 35 HB2 ALA 35 4.503 3.414 -0.787 275 HB3 ALA 35 HB3 ALA 35 5.190 4.664 -1.849 276 H ASN 36 H ASN 36 6.373 6.630 -1.336 277 HA ASN 36 HA ASN 36 9.094 6.449 -2.090 278 HB2 ASN 36 HB2 ASN 36 7.522 7.824 -3.328 279 HB3 ASN 36 HB3 ASN 36 7.171 8.800 -1.904 280 HD21 ASN 36 HD22 ASN 36 10.535 7.860 -2.945 281 HD22 ASN 36 HD21 ASN 36 10.978 9.488 -3.377 282 H ASP 37 H ASP 37 7.580 8.462 0.500 283 HA ASP 37 HA ASP 37 9.965 9.638 1.426 284 HB2 ASP 37 HB2 ASP 37 7.738 10.484 1.983 285 HB3 ASP 37 HB3 ASP 37 7.377 9.006 2.888 286 H ASN 38 H ASN 38 8.563 6.472 2.220 287 HA ASN 38 HA ASN 38 10.421 6.122 4.434 288 HB2 ASN 38 HB2 ASN 38 8.038 5.235 4.293 289 HB3 ASN 38 HB3 ASN 38 8.675 3.989 3.200 290 HD21 ASN 38 HD22 ASN 38 7.677 2.713 5.107 291 HD22 ASN 38 HD21 ASN 38 8.736 2.392 6.478 292 H GLY 39 H GLY 39 10.827 5.927 1.087 293 HA2 GLY 39 HA2 GLY 39 12.835 5.345 0.038 294 HA3 GLY 39 HA3 GLY 39 13.340 4.428 1.449 295 H VAL 40 H VAL 40 10.161 3.953 -0.284 296 HA VAL 40 HA VAL 40 11.222 1.347 -1.246 297 HB VAL 40 HB VAL 40 8.449 1.830 -0.089 298 HG11 VAL 40 HG11 VAL 40 9.918 -0.756 -0.807 299 HG12 VAL 40 HG12 VAL 40 8.323 -0.669 -0.065 300 HG13 VAL 40 HG13 VAL 40 8.544 -0.066 -1.690 301 HG21 VAL 40 HG21 VAL 40 10.077 2.039 1.745 302 HG22 VAL 40 HG22 VAL 40 9.220 0.524 1.874 303 HG23 VAL 40 HG23 VAL 40 10.864 0.528 1.223 304 H ASP 41 H ASP 41 10.383 0.589 -3.176 305 HA ASP 41 HA ASP 41 8.336 2.011 -4.616 306 HB2 ASP 41 HB2 ASP 41 10.600 3.315 -5.003 307 HB3 ASP 41 HB3 ASP 41 11.029 1.956 -6.034 308 H GLY 42 H GLY 42 7.188 0.130 -5.035 309 HA2 GLY 42 HA2 GLY 42 8.571 -2.018 -6.494 310 HA3 GLY 42 HA3 GLY 42 7.804 -2.418 -4.950 311 H GLU 43 H GLU 43 6.765 -3.847 -6.593 312 HA GLU 43 HA GLU 43 4.710 -2.859 -8.362 313 HB2 GLU 43 HB2 GLU 43 6.208 -4.815 -8.695 314 HB3 GLU 43 HB3 GLU 43 5.444 -5.636 -7.332 315 HG2 GLU 43 HG2 GLU 43 3.308 -5.697 -8.539 316 HG3 GLU 43 HG3 GLU 43 4.006 -4.738 -9.867 317 H TRP 44 H TRP 44 2.820 -2.103 -7.568 318 HA TRP 44 HA TRP 44 1.776 -2.813 -4.935 319 HB2 TRP 44 HB2 TRP 44 0.730 -0.974 -7.135 320 HB3 TRP 44 HB3 TRP 44 0.046 -1.129 -5.531 321 HD1 TRP 44 HD1 TRP 44 3.542 -0.188 -6.924 322 HE1 TRP 44 HE1 TRP 44 4.472 1.788 -5.625 323 HE3 TRP 44 HE3 TRP 44 -0.418 0.604 -3.804 324 HZ2 TRP 44 HZ2 TRP 44 3.649 3.451 -3.432 325 HZ3 TRP 44 HZ3 TRP 44 -0.331 2.428 -2.118 326 HH2 TRP 44 HH2 TRP 44 1.715 3.813 -1.885 327 H THR 45 H THR 45 0.546 -4.702 -4.706 328 HA THR 45 HA THR 45 -1.428 -5.318 -6.882 329 HB THR 45 HB THR 45 0.150 -7.317 -5.243 330 HG1 THR 45 HG1 THR 45 1.312 -6.364 -6.950 331 HG21 THR 45 HG21 THR 45 -1.879 -7.786 -7.462 332 HG22 THR 45 HG22 THR 45 -0.900 -9.023 -6.679 333 HG23 THR 45 HG23 THR 45 -2.124 -8.163 -5.743 334 H TYR 46 H TYR 46 -3.453 -5.164 -6.174 335 HA TYR 46 HA TYR 46 -3.982 -5.052 -3.273 336 HB2 TYR 46 HB2 TYR 46 -6.052 -4.094 -3.791 337 HB3 TYR 46 HB3 TYR 46 -4.924 -3.323 -4.888 338 HD1 TYR 46 HD1 TYR 46 -4.807 -4.141 -7.323 339 HD2 TYR 46 HD2 TYR 46 -7.952 -5.300 -4.603 340 HE1 TYR 46 HE1 TYR 46 -6.162 -4.940 -9.234 341 HE2 TYR 46 HE2 TYR 46 -9.314 -6.088 -6.504 342 HH TYR 46 HH TYR 46 -9.472 -6.246 -8.826 343 H ASP 47 H ASP 47 -5.457 -6.460 -2.278 344 HA ASP 47 HA ASP 47 -6.478 -8.811 -3.744 345 HB2 ASP 47 HB2 ASP 47 -4.312 -9.530 -2.869 346 HB3 ASP 47 HB3 ASP 47 -4.687 -8.870 -1.276 347 H ASP 48 H ASP 48 -8.408 -7.576 -3.553 348 HA ASP 48 HA ASP 48 -9.283 -6.440 -1.072 349 HB2 ASP 48 HB2 ASP 48 -11.097 -5.671 -2.147 350 HB3 ASP 48 HB3 ASP 48 -10.009 -5.848 -3.513 351 H ALA 49 H ALA 49 -9.473 -9.693 -2.329 352 HA ALA 49 HA ALA 49 -11.710 -10.565 -0.724 353 HB1 ALA 49 HB1 ALA 49 -9.403 -12.208 -1.853 354 HB2 ALA 49 HB2 ALA 49 -10.948 -12.828 -1.246 355 HB3 ALA 49 HB3 ALA 49 -10.919 -11.832 -2.714 356 H THR 50 H THR 50 -8.084 -10.789 -0.352 357 HA THR 50 HA THR 50 -8.359 -11.684 2.382 358 HB THR 50 HB THR 50 -5.897 -10.589 0.983 359 HG1 THR 50 HG1 THR 50 -5.860 -12.304 -0.094 360 HG21 THR 50 HG21 THR 50 -5.513 -10.940 3.406 361 HG22 THR 50 HG22 THR 50 -6.143 -12.602 3.268 362 HG23 THR 50 HG23 THR 50 -4.643 -12.135 2.443 363 H LYS 51 H LYS 51 -8.415 -8.645 0.818 364 HA LYS 51 HA LYS 51 -8.814 -6.555 1.445 365 HB2 LYS 51 HB2 LYS 51 -10.105 -7.910 3.334 366 HB3 LYS 51 HB3 LYS 51 -8.892 -7.176 4.384 367 HG2 LYS 51 HG2 LYS 51 -9.562 -4.933 3.515 368 HG3 LYS 51 HG3 LYS 51 -10.782 -5.705 2.484 369 HD2 LYS 51 HD2 LYS 51 -10.692 -5.805 5.523 370 HD3 LYS 51 HD3 LYS 51 -11.734 -4.768 4.536 371 HE2 LYS 51 HE2 LYS 51 -12.887 -6.720 3.626 372 HE3 LYS 51 HE3 LYS 51 -11.808 -7.817 4.501 373 HZ1 LYS 51 HZ1 LYS 51 -14.030 -7.281 5.566 374 HZ2 LYS 51 HZ2 LYS 51 -12.714 -7.166 6.538 375 HZ3 LYS 51 HZ3 LYS 51 -13.432 -5.813 5.920 376 H THR 52 H THR 52 -6.266 -7.373 0.887 377 HA THR 52 HA THR 52 -4.592 -5.581 2.586 378 HB THR 52 HB THR 52 -2.764 -7.310 2.145 379 HG1 THR 52 HG1 THR 52 -4.043 -8.402 0.470 380 HG21 THR 52 HG21 THR 52 -3.893 -7.180 4.344 381 HG22 THR 52 HG22 THR 52 -5.163 -8.285 3.779 382 HG23 THR 52 HG23 THR 52 -3.499 -8.856 3.923 383 H PHE 53 H PHE 53 -2.803 -4.519 1.457 384 HA PHE 53 HA PHE 53 -2.743 -4.782 -1.478 385 HB2 PHE 53 HB2 PHE 53 -4.360 -2.946 -0.481 386 HB3 PHE 53 HB3 PHE 53 -2.897 -2.061 -0.135 387 HD1 PHE 53 HD2 PHE 53 -1.678 -3.251 -3.036 388 HD2 PHE 53 HD1 PHE 53 -5.143 -1.029 -1.723 389 HE1 PHE 53 HE2 PHE 53 -1.863 -2.187 -5.258 390 HE2 PHE 53 HE1 PHE 53 -5.220 0.126 -3.913 391 HZ PHE 53 HZ PHE 53 -3.580 -0.457 -5.693 392 H THR 54 H THR 54 -0.676 -5.638 -1.495 393 HA THR 54 HA THR 54 1.389 -4.431 0.215 394 HB THR 54 HB THR 54 1.632 -6.974 -1.366 395 HG1 THR 54 HG1 THR 54 -0.053 -7.371 -0.182 396 HG21 THR 54 HG21 THR 54 3.226 -7.597 0.458 397 HG22 THR 54 HG22 THR 54 3.753 -6.236 -0.536 398 HG23 THR 54 HG23 THR 54 3.102 -5.941 1.081 399 H VAL 55 H VAL 55 3.242 -3.572 -0.538 400 HA VAL 55 HA VAL 55 3.523 -3.067 -3.464 401 HB VAL 55 HB VAL 55 4.792 -1.596 -1.088 402 HG11 VAL 55 HG11 VAL 55 6.106 -1.475 -3.160 403 HG12 VAL 55 HG12 VAL 55 4.672 -0.945 -4.066 404 HG13 VAL 55 HG13 VAL 55 5.375 0.097 -2.807 405 HG21 VAL 55 HG21 VAL 55 2.355 -0.863 -2.734 406 HG22 VAL 55 HG22 VAL 55 2.454 -1.100 -0.964 407 HG23 VAL 55 HG23 VAL 55 3.243 0.290 -1.713 408 H THR 56 H THR 56 4.914 -4.681 -4.229 409 HA THR 56 HA THR 56 6.892 -5.887 -2.362 410 HB THR 56 HB THR 56 5.720 -6.879 -4.994 411 HG1 THR 56 HG1 THR 56 4.599 -8.259 -3.828 412 HG21 THR 56 HG21 THR 56 7.536 -8.340 -3.018 413 HG22 THR 56 HG22 THR 56 6.777 -9.028 -4.464 414 HG23 THR 56 HG23 THR 56 8.008 -7.772 -4.630 415 H GLU 57 H GLU 57 8.830 -4.852 -2.521 416 HA GLU 57 HA GLU 57 9.792 -3.963 -5.198 417 HB2 GLU 57 HB2 GLU 57 9.722 -2.136 -3.644 418 HB3 GLU 57 HB3 GLU 57 10.456 -3.084 -2.361 419 HG2 GLU 57 HG2 GLU 57 12.555 -3.244 -3.535 420 HG3 GLU 57 HG3 GLU 57 11.871 -2.531 -5.000 Start of MODEL 3 1 H1 MET 1 H MET 1 -16.057 2.347 -1.080 2 HA MET 1 HA MET 1 -14.274 2.746 0.381 3 HB2 MET 1 HB2 MET 1 -16.248 4.259 0.766 4 HB3 MET 1 HB3 MET 1 -16.760 3.180 2.069 5 HG2 MET 1 HG2 MET 1 -14.442 3.603 3.124 6 HG3 MET 1 HG3 MET 1 -14.267 4.895 1.940 7 HE1 MET 1 HE1 MET 1 -17.324 7.225 3.030 8 HE2 MET 1 HE2 MET 1 -16.131 6.907 1.750 9 HE3 MET 1 HE3 MET 1 -17.521 5.812 1.989 10 H GLY 2 H GLY 2 -12.845 1.776 1.746 11 HA2 GLY 2 HA2 GLY 2 -13.739 0.178 3.977 12 HA3 GLY 2 HA3 GLY 2 -13.026 -0.789 2.663 13 H THR 3 H THR 3 -11.749 -0.953 4.965 14 HA THR 3 HA THR 3 -9.596 1.054 5.118 15 HB THR 3 HB THR 3 -10.006 -1.409 6.837 16 HG1 THR 3 HG1 THR 3 -10.996 1.002 7.766 17 HG21 THR 3 HG21 THR 3 -7.864 -0.181 7.071 18 HG22 THR 3 HG22 THR 3 -8.754 1.317 7.420 19 HG23 THR 3 HG23 THR 3 -8.850 -0.068 8.538 20 H TYR 4 H TYR 4 -7.839 0.705 3.843 21 HA TYR 4 HA TYR 4 -7.316 -2.010 2.783 22 HB2 TYR 4 HB2 TYR 4 -6.242 0.753 2.105 23 HB3 TYR 4 HB3 TYR 4 -5.698 -0.743 1.350 24 HD1 TYR 4 HD2 TYR 4 -8.585 1.589 1.734 25 HD2 TYR 4 HD1 TYR 4 -7.056 -1.904 -0.306 26 HE1 TYR 4 HE2 TYR 4 -10.468 1.700 0.141 27 HE2 TYR 4 HE1 TYR 4 -8.915 -1.774 -1.921 28 HH TYR 4 HH TYR 4 -11.618 0.472 -1.474 29 H LYS 5 H LYS 5 -5.565 -3.139 3.330 30 HA LYS 5 HA LYS 5 -3.869 -2.215 5.586 31 HB2 LYS 5 HB2 LYS 5 -4.248 -4.948 4.309 32 HB3 LYS 5 HB3 LYS 5 -3.263 -4.620 5.736 33 HG2 LYS 5 HG2 LYS 5 -5.201 -4.123 7.075 34 HG3 LYS 5 HG3 LYS 5 -6.262 -4.042 5.655 35 HD2 LYS 5 HD2 LYS 5 -5.860 -6.419 5.175 36 HD3 LYS 5 HD3 LYS 5 -4.835 -6.544 6.621 37 HE2 LYS 5 HE2 LYS 5 -6.718 -5.976 8.062 38 HE3 LYS 5 HE3 LYS 5 -7.753 -5.646 6.658 39 HZ1 LYS 5 HZ1 LYS 5 -8.067 -7.854 7.701 40 HZ2 LYS 5 HZ2 LYS 5 -7.742 -7.921 6.094 41 HZ3 LYS 5 HZ3 LYS 5 -6.557 -8.277 7.181 42 H LEU 6 H LEU 6 -2.121 -1.095 4.908 43 HA LEU 6 HA LEU 6 -0.951 -1.675 2.284 44 HB2 LEU 6 HB2 LEU 6 -1.488 0.662 3.457 45 HB3 LEU 6 HB3 LEU 6 0.023 0.376 4.277 46 HG LEU 6 HG LEU 6 -0.574 1.179 1.500 47 HD11 LEU 6 HD11 LEU 6 1.529 2.447 1.790 48 HD12 LEU 6 HD12 LEU 6 0.463 2.642 3.198 49 HD13 LEU 6 HD13 LEU 6 1.850 1.553 3.294 50 HD21 LEU 6 HD21 LEU 6 1.572 0.415 0.523 51 HD22 LEU 6 HD22 LEU 6 1.699 -0.751 1.850 52 HD23 LEU 6 HD23 LEU 6 0.349 -0.826 0.706 53 H ILE 7 H ILE 7 0.835 -3.047 2.169 54 HA ILE 7 HA ILE 7 2.540 -3.395 4.594 55 HB ILE 7 HB ILE 7 1.649 -5.549 2.636 56 HG12 ILE 7 HG12 ILE 7 1.114 -6.768 4.838 57 HG13 ILE 7 HG13 ILE 7 1.258 -5.222 5.643 58 HG21 ILE 7 HG21 ILE 7 4.072 -5.784 3.131 59 HG22 ILE 7 HG22 ILE 7 3.731 -5.695 4.871 60 HG23 ILE 7 HG23 ILE 7 3.154 -7.068 3.896 61 HD11 ILE 7 HD11 ILE 7 -0.718 -4.403 4.582 62 HD12 ILE 7 HD12 ILE 7 -0.687 -5.680 3.339 63 HD13 ILE 7 HD13 ILE 7 -1.087 -6.061 5.031 64 H LEU 8 H LEU 8 4.524 -2.710 4.213 65 HA LEU 8 HA LEU 8 5.457 -2.205 1.412 66 HB2 LEU 8 HB2 LEU 8 5.924 -0.926 4.103 67 HB3 LEU 8 HB3 LEU 8 7.260 -0.952 2.976 68 HG LEU 8 HG LEU 8 6.107 0.390 1.364 69 HD11 LEU 8 HD11 LEU 8 3.635 0.069 3.084 70 HD12 LEU 8 HD12 LEU 8 3.794 1.209 1.716 71 HD13 LEU 8 HD13 LEU 8 3.893 -0.521 1.420 72 HD21 LEU 8 HD21 LEU 8 7.045 1.770 3.058 73 HD22 LEU 8 HD22 LEU 8 5.403 2.399 2.845 74 HD23 LEU 8 HD23 LEU 8 5.770 1.369 4.225 75 H ASN 9 H ASN 9 6.665 -3.870 0.690 76 HA ASN 9 HA ASN 9 8.462 -5.325 2.579 77 HB2 ASN 9 HB2 ASN 9 6.490 -6.647 1.780 78 HB3 ASN 9 HB3 ASN 9 6.986 -6.364 0.114 79 HD21 ASN 9 HD22 ASN 9 9.469 -7.086 -0.323 80 HD22 ASN 9 HD21 ASN 9 9.765 -8.679 0.277 81 H GLY 10 H GLY 10 9.907 -3.533 2.153 82 HA2 GLY 10 HA2 GLY 10 10.722 -2.872 -0.546 83 HA3 GLY 10 HA3 GLY 10 11.345 -2.239 0.984 84 H LYS 11 H LYS 11 13.248 -2.567 -0.675 85 HA LYS 11 HA LYS 11 14.353 -5.304 -0.552 86 HB2 LYS 11 HB2 LYS 11 16.037 -4.643 -2.044 87 HB3 LYS 11 HB3 LYS 11 14.506 -4.057 -2.675 88 HG2 LYS 11 HG2 LYS 11 16.230 -2.158 -1.041 89 HG3 LYS 11 HG3 LYS 11 16.754 -2.577 -2.678 90 HD2 LYS 11 HD2 LYS 11 14.875 -1.612 -3.697 91 HD3 LYS 11 HD3 LYS 11 13.938 -1.638 -2.207 92 HE2 LYS 11 HE2 LYS 11 15.595 0.055 -1.243 93 HE3 LYS 11 HE3 LYS 11 16.293 0.171 -2.858 94 HZ1 LYS 11 HZ1 LYS 11 13.531 0.885 -2.085 95 HZ2 LYS 11 HZ2 LYS 11 14.697 1.920 -2.642 96 HZ3 LYS 11 HZ3 LYS 11 14.002 0.783 -3.611 97 H THR 12 H THR 12 14.433 -2.693 1.511 98 HA THR 12 HA THR 12 16.809 -3.808 2.889 99 HB THR 12 HB THR 12 16.481 -0.796 2.546 100 HG1 THR 12 HG1 THR 12 18.258 -0.998 1.069 101 HG21 THR 12 HG21 THR 12 18.914 -0.781 3.129 102 HG22 THR 12 HG22 THR 12 17.920 -1.428 4.422 103 HG23 THR 12 HG23 THR 12 18.843 -2.533 3.381 104 H LEU 13 H LEU 13 13.628 -2.228 3.087 105 HA LEU 13 HA LEU 13 13.586 -2.691 5.957 106 HB2 LEU 13 HB2 LEU 13 12.943 -0.477 6.540 107 HB3 LEU 13 HB3 LEU 13 14.442 -0.380 5.671 108 HG LEU 13 HG LEU 13 13.200 1.463 5.028 109 HD11 LEU 13 HD11 LEU 13 12.720 -0.391 2.676 110 HD12 LEU 13 HD12 LEU 13 12.866 1.372 2.660 111 HD13 LEU 13 HD13 LEU 13 14.276 0.393 3.080 112 HD21 LEU 13 HD21 LEU 13 10.984 1.630 4.337 113 HD22 LEU 13 HD22 LEU 13 10.773 -0.128 4.208 114 HD23 LEU 13 HD23 LEU 13 10.983 0.641 5.808 115 H LYS 14 H LYS 14 11.298 -2.253 6.796 116 HA LYS 14 HA LYS 14 9.211 -2.787 4.745 117 HB2 LYS 14 HB2 LYS 14 9.695 -4.278 7.365 118 HB3 LYS 14 HB3 LYS 14 8.211 -4.379 6.411 119 HG2 LYS 14 HG2 LYS 14 9.586 -5.136 4.441 120 HG3 LYS 14 HG3 LYS 14 10.988 -5.278 5.527 121 HD2 LYS 14 HD2 LYS 14 9.873 -6.936 6.879 122 HD3 LYS 14 HD3 LYS 14 8.307 -6.585 6.127 123 HE2 LYS 14 HE2 LYS 14 9.287 -7.335 3.912 124 HE3 LYS 14 HE3 LYS 14 10.693 -7.928 4.812 125 HZ1 LYS 14 HZ1 LYS 14 9.076 -9.635 4.454 126 HZ2 LYS 14 HZ2 LYS 14 9.158 -9.320 6.073 127 HZ3 LYS 14 HZ3 LYS 14 7.881 -8.773 5.190 128 H GLY 15 H GLY 15 6.953 -2.510 5.612 129 HA2 GLY 15 HA2 GLY 15 6.611 -0.818 7.977 130 HA3 GLY 15 HA3 GLY 15 6.286 -0.050 6.424 131 H GLU 16 H GLU 16 4.266 -0.519 8.426 132 HA GLU 16 HA GLU 16 2.356 -2.036 6.784 133 HB2 GLU 16 HB2 GLU 16 3.386 -3.730 8.368 134 HB3 GLU 16 HB3 GLU 16 2.832 -2.731 9.721 135 HG2 GLU 16 HG2 GLU 16 0.459 -2.952 8.600 136 HG3 GLU 16 HG3 GLU 16 1.188 -4.209 7.631 137 H THR 17 H THR 17 0.649 -0.546 6.631 138 HA THR 17 HA THR 17 -0.247 0.859 9.080 139 HB THR 17 HB THR 17 -0.466 2.936 7.554 140 HG1 THR 17 HG1 THR 17 1.379 2.960 6.056 141 HG21 THR 17 HG21 THR 17 1.186 2.745 9.422 142 HG22 THR 17 HG22 THR 17 2.370 2.100 8.267 143 HG23 THR 17 HG23 THR 17 1.747 3.747 8.073 144 H THR 18 H THR 18 -2.463 1.944 8.691 145 HA THR 18 HA THR 18 -3.978 0.547 6.564 146 HB THR 18 HB THR 18 -5.818 0.149 8.196 147 HG1 THR 18 HG1 THR 18 -5.371 1.330 9.898 148 HG21 THR 18 HG21 THR 18 -3.280 -1.367 8.914 149 HG22 THR 18 HG22 THR 18 -4.970 -1.905 9.105 150 HG23 THR 18 HG23 THR 18 -4.300 -1.677 7.498 151 H THR 19 H THR 19 -5.459 1.807 5.571 152 HA THR 19 HA THR 19 -6.247 4.408 6.714 153 HB THR 19 HB THR 19 -4.961 4.046 3.972 154 HG1 THR 19 HG1 THR 19 -3.938 5.160 6.381 155 HG21 THR 19 HG21 THR 19 -5.752 6.605 5.385 156 HG22 THR 19 HG22 THR 19 -4.913 6.490 3.834 157 HG23 THR 19 HG23 THR 19 -6.576 5.905 3.980 158 H GLU 20 H GLU 20 -8.367 4.953 6.014 159 HA GLU 20 HA GLU 20 -9.633 2.914 4.284 160 HB2 GLU 20 HB2 GLU 20 -11.744 3.537 5.213 161 HB3 GLU 20 HB3 GLU 20 -10.619 3.129 6.495 162 HG2 GLU 20 HG2 GLU 20 -10.232 5.650 6.791 163 HG3 GLU 20 HG3 GLU 20 -11.572 5.897 5.673 164 H ALA 21 H ALA 21 -10.721 3.483 2.414 165 HA ALA 21 HA ALA 21 -10.658 6.304 1.596 166 HB1 ALA 21 HB1 ALA 21 -8.453 5.336 0.869 167 HB2 ALA 21 HB2 ALA 21 -9.343 4.090 -0.040 168 HB3 ALA 21 HB3 ALA 21 -9.481 5.796 -0.499 169 H VAL 22 H VAL 22 -11.890 6.653 -0.401 170 HA VAL 22 HA VAL 22 -14.378 5.273 -0.304 171 HB VAL 22 HB VAL 22 -14.250 7.577 -0.912 172 HG11 VAL 22 HG11 VAL 22 -13.413 8.443 -3.022 173 HG12 VAL 22 HG12 VAL 22 -12.092 7.674 -2.145 174 HG13 VAL 22 HG13 VAL 22 -12.858 6.844 -3.518 175 HG21 VAL 22 HG21 VAL 22 -15.279 5.925 -3.256 176 HG22 VAL 22 HG22 VAL 22 -16.160 6.290 -1.757 177 HG23 VAL 22 HG23 VAL 22 -15.731 7.588 -2.891 178 H ASP 23 H ASP 23 -11.639 5.017 -2.683 179 HA ASP 23 HA ASP 23 -12.519 2.294 -3.377 180 HB2 ASP 23 HB2 ASP 23 -12.208 4.612 -5.315 181 HB3 ASP 23 HB3 ASP 23 -12.022 2.934 -5.810 182 H ALA 24 H ALA 24 -10.767 1.235 -4.621 183 HA ALA 24 HA ALA 24 -8.324 1.375 -3.245 184 HB1 ALA 24 HB1 ALA 24 -7.458 -0.052 -5.198 185 HB2 ALA 24 HB2 ALA 24 -8.826 -0.679 -4.285 186 HB3 ALA 24 HB3 ALA 24 -9.083 0.093 -5.880 187 H ALA 25 H ALA 25 -9.200 3.098 -6.285 188 HA ALA 25 HA ALA 25 -6.535 3.746 -7.004 189 HB1 ALA 25 HB1 ALA 25 -8.440 4.090 -8.507 190 HB2 ALA 25 HB2 ALA 25 -9.089 5.364 -7.442 191 HB3 ALA 25 HB3 ALA 25 -7.531 5.593 -8.288 192 H THR 26 H THR 26 -8.862 5.578 -4.882 193 HA THR 26 HA THR 26 -7.074 7.682 -4.283 194 HB THR 26 HB THR 26 -9.303 6.529 -2.563 195 HG1 THR 26 HG1 THR 26 -9.673 8.534 -4.507 196 HG21 THR 26 HG21 THR 26 -8.086 8.292 -1.409 197 HG22 THR 26 HG22 THR 26 -8.146 9.336 -2.835 198 HG23 THR 26 HG23 THR 26 -9.642 8.949 -1.955 199 H ALA 27 H ALA 27 -7.560 4.437 -2.874 200 HA ALA 27 HA ALA 27 -5.994 4.831 -0.530 201 HB1 ALA 27 HB1 ALA 27 -6.395 2.200 -2.016 202 HB2 ALA 27 HB2 ALA 27 -5.994 2.441 -0.311 203 HB3 ALA 27 HB3 ALA 27 -7.584 2.919 -0.917 204 H GLU 28 H GLU 28 -5.189 3.219 -3.609 205 HA GLU 28 HA GLU 28 -2.507 2.704 -3.334 206 HB2 GLU 28 HB2 GLU 28 -4.154 1.940 -5.076 207 HB3 GLU 28 HB3 GLU 28 -3.998 3.498 -5.868 208 HG2 GLU 28 HG2 GLU 28 -1.607 3.094 -6.244 209 HG3 GLU 28 HG3 GLU 28 -1.696 1.551 -5.373 210 H LYS 29 H LYS 29 -3.922 5.624 -4.928 211 HA LYS 29 HA LYS 29 -1.461 6.821 -5.591 212 HB2 LYS 29 HB2 LYS 29 -4.146 8.125 -4.952 213 HB3 LYS 29 HB3 LYS 29 -2.709 8.984 -5.534 214 HG2 LYS 29 HG2 LYS 29 -2.678 7.428 -7.533 215 HG3 LYS 29 HG3 LYS 29 -4.252 6.833 -7.027 216 HD2 LYS 29 HD2 LYS 29 -4.814 8.529 -8.566 217 HD3 LYS 29 HD3 LYS 29 -5.002 9.321 -7.006 218 HE2 LYS 29 HE2 LYS 29 -3.794 10.874 -8.355 219 HE3 LYS 29 HE3 LYS 29 -2.606 10.174 -7.270 220 HZ1 LYS 29 HZ1 LYS 29 -2.039 8.623 -9.133 221 HZ2 LYS 29 HZ2 LYS 29 -2.997 9.502 -10.114 222 HZ3 LYS 29 HZ3 LYS 29 -1.674 10.194 -9.424 223 H VAL 30 H VAL 30 -3.497 7.594 -2.713 224 HA VAL 30 HA VAL 30 -1.641 9.355 -1.522 225 HB VAL 30 HB VAL 30 -3.864 7.637 -0.376 226 HG11 VAL 30 HG11 VAL 30 -3.863 9.203 1.566 227 HG12 VAL 30 HG12 VAL 30 -2.401 8.223 1.492 228 HG13 VAL 30 HG13 VAL 30 -2.348 9.916 0.959 229 HG21 VAL 30 HG21 VAL 30 -5.151 9.754 -0.410 230 HG22 VAL 30 HG22 VAL 30 -3.757 10.607 -1.099 231 HG23 VAL 30 HG23 VAL 30 -4.596 9.355 -2.034 232 H PHE 31 H PHE 31 -2.020 5.756 -1.115 233 HA PHE 31 HA PHE 31 -0.091 5.507 0.909 234 HB2 PHE 31 HB2 PHE 31 -0.900 3.617 -1.328 235 HB3 PHE 31 HB3 PHE 31 0.229 3.174 -0.061 236 HD1 PHE 31 HD2 PHE 31 -1.083 4.359 2.398 237 HD2 PHE 31 HD1 PHE 31 -2.606 2.024 -0.904 238 HE1 PHE 31 HE2 PHE 31 -2.692 3.276 3.891 239 HE2 PHE 31 HE1 PHE 31 -4.266 1.001 0.594 240 HZ PHE 31 HZ PHE 31 -4.320 1.628 3.018 241 H LYS 32 H LYS 32 0.480 5.986 -2.592 242 HA LYS 32 HA LYS 32 3.187 5.094 -2.528 243 HB2 LYS 32 HB2 LYS 32 1.632 5.902 -4.585 244 HB3 LYS 32 HB3 LYS 32 2.490 7.420 -4.305 245 HG2 LYS 32 HG2 LYS 32 4.666 6.080 -4.340 246 HG3 LYS 32 HG3 LYS 32 3.714 4.669 -4.839 247 HD2 LYS 32 HD2 LYS 32 3.016 5.900 -6.880 248 HD3 LYS 32 HD3 LYS 32 3.984 7.291 -6.337 249 HE2 LYS 32 HE2 LYS 32 5.948 5.542 -6.185 250 HE3 LYS 32 HE3 LYS 32 4.928 4.539 -7.207 251 HZ1 LYS 32 HZ1 LYS 32 6.080 7.181 -7.851 252 HZ2 LYS 32 HZ2 LYS 32 6.335 5.765 -8.614 253 HZ3 LYS 32 HZ3 LYS 32 4.900 6.495 -8.790 254 H GLN 33 H GLN 33 1.712 8.123 -1.450 255 HA GLN 33 HA GLN 33 4.029 9.739 -1.370 256 HB2 GLN 33 HB2 GLN 33 1.687 9.718 0.600 257 HB3 GLN 33 HB3 GLN 33 2.896 10.979 0.420 258 HG2 GLN 33 HG2 GLN 33 2.140 11.397 -1.910 259 HG3 GLN 33 HG3 GLN 33 0.916 10.133 -1.741 260 HE21 GLN 33 HE22 GLN 33 1.980 12.880 0.426 261 HE22 GLN 33 HE21 GLN 33 0.431 13.651 0.466 262 H TYR 34 H TYR 34 2.608 7.626 1.150 263 HA TYR 34 HA TYR 34 4.720 7.936 3.035 264 HB2 TYR 34 HB2 TYR 34 2.542 7.190 3.776 265 HB3 TYR 34 HB3 TYR 34 2.566 5.824 2.664 266 HD1 TYR 34 HD2 TYR 34 5.116 7.115 5.141 267 HD2 TYR 34 HD1 TYR 34 2.641 3.811 3.885 268 HE1 TYR 34 HE2 TYR 34 6.216 5.675 6.788 269 HE2 TYR 34 HE1 TYR 34 3.733 2.349 5.567 270 HH TYR 34 HH TYR 34 5.207 2.433 7.617 271 H ALA 35 H ALA 35 4.036 5.282 0.693 272 HA ALA 35 HA ALA 35 6.221 3.672 1.407 273 HB1 ALA 35 HB1 ALA 35 5.896 2.605 -0.767 274 HB2 ALA 35 HB2 ALA 35 4.326 2.975 -0.041 275 HB3 ALA 35 HB3 ALA 35 4.972 4.012 -1.336 276 H ASN 36 H ASN 36 6.165 6.110 -1.286 277 HA ASN 36 HA ASN 36 8.947 5.739 -1.715 278 HB2 ASN 36 HB2 ASN 36 7.175 6.776 -3.308 279 HB3 ASN 36 HB3 ASN 36 7.581 8.309 -2.516 280 HD21 ASN 36 HD22 ASN 36 9.450 9.363 -3.460 281 HD22 ASN 36 HD21 ASN 36 10.687 8.475 -4.342 282 H ASP 37 H ASP 37 7.254 7.786 0.627 283 HA ASP 37 HA ASP 37 9.527 9.524 1.189 284 HB2 ASP 37 HB2 ASP 37 7.219 10.188 1.739 285 HB3 ASP 37 HB3 ASP 37 7.116 8.865 2.921 286 H ASN 38 H ASN 38 8.596 6.286 2.042 287 HA ASN 38 HA ASN 38 10.591 6.158 4.221 288 HB2 ASN 38 HB2 ASN 38 8.092 5.353 4.340 289 HB3 ASN 38 HB3 ASN 38 8.699 3.925 3.491 290 HD21 ASN 38 HD22 ASN 38 7.562 3.591 6.029 291 HD22 ASN 38 HD21 ASN 38 8.849 3.151 7.131 292 H GLY 39 H GLY 39 10.720 5.836 0.939 293 HA2 GLY 39 HA2 GLY 39 12.474 5.040 -0.333 294 HA3 GLY 39 HA3 GLY 39 13.142 4.218 1.077 295 H VAL 40 H VAL 40 9.771 3.616 0.005 296 HA VAL 40 HA VAL 40 10.615 0.964 -1.036 297 HB VAL 40 HB VAL 40 8.104 1.568 0.568 298 HG11 VAL 40 HG11 VAL 40 7.757 -0.246 -1.034 299 HG12 VAL 40 HG12 VAL 40 9.287 -1.010 -0.578 300 HG13 VAL 40 HG13 VAL 40 7.936 -0.963 0.568 301 HG21 VAL 40 HG21 VAL 40 9.133 0.150 2.331 302 HG22 VAL 40 HG22 VAL 40 10.644 0.100 1.403 303 HG23 VAL 40 HG23 VAL 40 10.044 1.635 2.069 304 H ASP 41 H ASP 41 10.137 0.735 -3.133 305 HA ASP 41 HA ASP 41 7.637 1.791 -4.203 306 HB2 ASP 41 HB2 ASP 41 9.131 3.781 -4.319 307 HB3 ASP 41 HB3 ASP 41 10.286 2.844 -5.265 308 H GLY 42 H GLY 42 7.085 -0.226 -4.766 309 HA2 GLY 42 HA2 GLY 42 8.754 -1.702 -6.734 310 HA3 GLY 42 HA3 GLY 42 8.006 -2.497 -5.340 311 H GLU 43 H GLU 43 6.810 -3.828 -6.749 312 HA GLU 43 HA GLU 43 4.922 -2.644 -8.646 313 HB2 GLU 43 HB2 GLU 43 6.209 -4.855 -8.955 314 HB3 GLU 43 HB3 GLU 43 5.147 -5.554 -7.729 315 HG2 GLU 43 HG2 GLU 43 4.372 -6.056 -10.021 316 HG3 GLU 43 HG3 GLU 43 3.184 -5.084 -9.140 317 H TRP 44 H TRP 44 2.878 -2.094 -8.110 318 HA TRP 44 HA TRP 44 1.918 -2.534 -5.337 319 HB2 TRP 44 HB2 TRP 44 1.073 -0.655 -7.582 320 HB3 TRP 44 HB3 TRP 44 0.179 -0.834 -6.083 321 HD1 TRP 44 HD1 TRP 44 3.662 0.290 -7.277 322 HE1 TRP 44 HE1 TRP 44 4.605 1.982 -5.641 323 HE3 TRP 44 HE3 TRP 44 -0.069 0.146 -3.783 324 HZ2 TRP 44 HZ2 TRP 44 3.936 2.993 -3.019 325 HZ3 TRP 44 HZ3 TRP 44 0.132 1.439 -1.686 326 HH2 TRP 44 HH2 TRP 44 2.153 2.868 -1.282 327 H THR 45 H THR 45 0.668 -4.358 -5.071 328 HA THR 45 HA THR 45 -1.483 -4.800 -7.088 329 HB THR 45 HB THR 45 0.067 -7.076 -5.834 330 HG1 THR 45 HG1 THR 45 1.236 -7.168 -7.735 331 HG21 THR 45 HG21 THR 45 -1.710 -6.940 -8.285 332 HG22 THR 45 HG22 THR 45 -0.851 -8.372 -7.682 333 HG23 THR 45 HG23 THR 45 -2.150 -7.656 -6.719 334 H TYR 46 H TYR 46 -3.477 -5.382 -6.192 335 HA TYR 46 HA TYR 46 -3.716 -5.360 -3.253 336 HB2 TYR 46 HB2 TYR 46 -5.785 -4.107 -3.528 337 HB3 TYR 46 HB3 TYR 46 -4.448 -3.233 -4.242 338 HD1 TYR 46 HD1 TYR 46 -4.278 -2.933 -6.714 339 HD2 TYR 46 HD2 TYR 46 -7.556 -5.131 -4.936 340 HE1 TYR 46 HE1 TYR 46 -5.340 -3.159 -8.932 341 HE2 TYR 46 HE2 TYR 46 -8.618 -5.336 -7.153 342 HH TYR 46 HH TYR 46 -7.088 -5.227 -9.823 343 H ASP 47 H ASP 47 -5.418 -6.575 -2.369 344 HA ASP 47 HA ASP 47 -6.787 -8.547 -4.162 345 HB2 ASP 47 HB2 ASP 47 -5.179 -9.095 -1.640 346 HB3 ASP 47 HB3 ASP 47 -6.437 -10.190 -2.229 347 H ASP 48 H ASP 48 -9.004 -8.414 -3.716 348 HA ASP 48 HA ASP 48 -9.853 -6.707 -1.530 349 HB2 ASP 48 HB2 ASP 48 -11.872 -6.583 -2.453 350 HB3 ASP 48 HB3 ASP 48 -10.983 -7.084 -3.883 351 H ALA 49 H ALA 49 -9.743 -10.266 -1.958 352 HA ALA 49 HA ALA 49 -11.469 -11.001 0.127 353 HB1 ALA 49 HB1 ALA 49 -8.861 -12.357 -0.703 354 HB2 ALA 49 HB2 ALA 49 -10.165 -13.095 0.243 355 HB3 ALA 49 HB3 ALA 49 -10.458 -12.631 -1.432 356 H THR 50 H THR 50 -7.963 -10.205 0.293 357 HA THR 50 HA THR 50 -7.967 -10.371 3.224 358 HB THR 50 HB THR 50 -5.466 -9.908 2.681 359 HG1 THR 50 HG1 THR 50 -5.054 -9.589 0.653 360 HG21 THR 50 HG21 THR 50 -6.799 -12.432 1.582 361 HG22 THR 50 HG22 THR 50 -5.085 -12.238 1.989 362 HG23 THR 50 HG23 THR 50 -6.306 -12.155 3.272 363 H LYS 51 H LYS 51 -8.305 -7.964 0.705 364 HA LYS 51 HA LYS 51 -8.494 -5.747 0.680 365 HB2 LYS 51 HB2 LYS 51 -8.764 -5.814 3.688 366 HB3 LYS 51 HB3 LYS 51 -9.092 -4.438 2.633 367 HG2 LYS 51 HG2 LYS 51 -10.842 -5.732 1.433 368 HG3 LYS 51 HG3 LYS 51 -10.600 -7.089 2.553 369 HD2 LYS 51 HD2 LYS 51 -11.446 -4.274 3.363 370 HD3 LYS 51 HD3 LYS 51 -12.538 -5.659 3.160 371 HE2 LYS 51 HE2 LYS 51 -11.267 -6.916 4.910 372 HE3 LYS 51 HE3 LYS 51 -10.184 -5.530 5.100 373 HZ1 LYS 51 HZ1 LYS 51 -13.026 -5.670 5.778 374 HZ2 LYS 51 HZ2 LYS 51 -11.729 -5.419 6.773 375 HZ3 LYS 51 HZ3 LYS 51 -12.199 -4.238 5.703 376 H THR 52 H THR 52 -5.932 -7.129 0.804 377 HA THR 52 HA THR 52 -4.138 -5.258 2.160 378 HB THR 52 HB THR 52 -2.433 -6.988 1.290 379 HG1 THR 52 HG1 THR 52 -3.425 -8.181 -0.157 380 HG21 THR 52 HG21 THR 52 -3.105 -6.958 3.628 381 HG22 THR 52 HG22 THR 52 -4.607 -7.832 3.264 382 HG23 THR 52 HG23 THR 52 -3.034 -8.633 3.066 383 H PHE 53 H PHE 53 -2.409 -4.357 1.074 384 HA PHE 53 HA PHE 53 -2.435 -4.002 -1.808 385 HB2 PHE 53 HB2 PHE 53 -3.524 -2.011 -0.062 386 HB3 PHE 53 HB3 PHE 53 -1.882 -1.483 -0.369 387 HD1 PHE 53 HD2 PHE 53 -1.310 -2.191 -3.139 388 HD2 PHE 53 HD1 PHE 53 -4.981 -0.738 -1.383 389 HE1 PHE 53 HE2 PHE 53 -2.065 -1.370 -5.360 390 HE2 PHE 53 HE1 PHE 53 -5.706 0.085 -3.603 391 HZ PHE 53 HZ PHE 53 -4.277 -0.300 -5.597 392 H THR 54 H THR 54 -0.453 -5.075 -1.965 393 HA THR 54 HA THR 54 1.578 -4.398 0.101 394 HB THR 54 HB THR 54 1.329 -7.046 -1.328 395 HG1 THR 54 HG1 THR 54 0.555 -7.789 0.572 396 HG21 THR 54 HG21 THR 54 3.134 -6.093 0.921 397 HG22 THR 54 HG22 THR 54 2.955 -7.773 0.382 398 HG23 THR 54 HG23 THR 54 3.632 -6.568 -0.711 399 H VAL 55 H VAL 55 3.464 -3.702 -0.515 400 HA VAL 55 HA VAL 55 3.978 -3.245 -3.404 401 HB VAL 55 HB VAL 55 5.107 -1.681 -1.038 402 HG11 VAL 55 HG11 VAL 55 6.356 -1.529 -3.160 403 HG12 VAL 55 HG12 VAL 55 4.867 -1.041 -4.014 404 HG13 VAL 55 HG13 VAL 55 5.575 0.017 -2.767 405 HG21 VAL 55 HG21 VAL 55 2.625 -1.043 -2.650 406 HG22 VAL 55 HG22 VAL 55 2.712 -1.344 -0.904 407 HG23 VAL 55 HG23 VAL 55 3.476 0.093 -1.572 408 H THR 56 H THR 56 5.317 -4.895 -4.014 409 HA THR 56 HA THR 56 7.441 -5.776 -2.116 410 HB THR 56 HB THR 56 6.249 -7.304 -4.452 411 HG1 THR 56 HG1 THR 56 4.848 -8.035 -3.160 412 HG21 THR 56 HG21 THR 56 8.528 -8.030 -3.885 413 HG22 THR 56 HG22 THR 56 8.104 -8.119 -2.164 414 HG23 THR 56 HG23 THR 56 7.360 -9.236 -3.314 415 H GLU 57 H GLU 57 9.389 -4.962 -2.590 416 HA GLU 57 HA GLU 57 10.048 -4.141 -5.376 417 HB2 GLU 57 HB2 GLU 57 9.694 -2.246 -3.764 418 HB3 GLU 57 HB3 GLU 57 10.923 -2.953 -2.709 419 HG2 GLU 57 HG2 GLU 57 12.622 -2.691 -4.489 420 HG3 GLU 57 HG3 GLU 57 11.397 -2.019 -5.568 Start of MODEL 4 1 H1 MET 1 H MET 1 -17.719 3.393 2.971 2 HA MET 1 HA MET 1 -16.623 2.027 1.199 3 HB2 MET 1 HB2 MET 1 -14.960 4.001 2.783 4 HB3 MET 1 HB3 MET 1 -14.426 3.308 1.252 5 HG2 MET 1 HG2 MET 1 -16.280 4.155 0.044 6 HG3 MET 1 HG3 MET 1 -17.121 4.614 1.510 7 HE1 MET 1 HE1 MET 1 -17.822 6.676 0.509 8 HE2 MET 1 HE2 MET 1 -16.806 8.034 0.031 9 HE3 MET 1 HE3 MET 1 -16.888 6.578 -0.995 10 H GLY 2 H GLY 2 -13.785 1.443 1.236 11 HA2 GLY 2 HA2 GLY 2 -13.824 -1.085 2.795 12 HA3 GLY 2 HA3 GLY 2 -12.956 -0.777 1.289 13 H THR 3 H THR 3 -11.718 -1.754 3.715 14 HA THR 3 HA THR 3 -9.930 0.537 4.371 15 HB THR 3 HB THR 3 -10.624 -1.825 6.127 16 HG1 THR 3 HG1 THR 3 -12.398 -0.483 5.906 17 HG21 THR 3 HG21 THR 3 -9.506 -0.492 7.873 18 HG22 THR 3 HG22 THR 3 -8.386 -0.789 6.535 19 HG23 THR 3 HG23 THR 3 -9.162 0.798 6.696 20 H TYR 4 H TYR 4 -8.237 0.308 2.973 21 HA TYR 4 HA TYR 4 -7.241 -2.408 2.374 22 HB2 TYR 4 HB2 TYR 4 -6.533 0.330 1.257 23 HB3 TYR 4 HB3 TYR 4 -5.777 -1.181 0.775 24 HD1 TYR 4 HD2 TYR 4 -8.860 0.862 0.583 25 HD2 TYR 4 HD1 TYR 4 -6.941 -2.801 -0.663 26 HE1 TYR 4 HE2 TYR 4 -10.544 0.590 -1.204 27 HE2 TYR 4 HE1 TYR 4 -8.610 -3.071 -2.456 28 HH TYR 4 HH TYR 4 -10.506 -2.101 -3.554 29 H LYS 5 H LYS 5 -5.873 -3.223 3.820 30 HA LYS 5 HA LYS 5 -4.305 -1.546 5.613 31 HB2 LYS 5 HB2 LYS 5 -5.243 -3.759 6.283 32 HB3 LYS 5 HB3 LYS 5 -4.235 -4.549 5.056 33 HG2 LYS 5 HG2 LYS 5 -2.196 -3.660 6.177 34 HG3 LYS 5 HG3 LYS 5 -3.228 -2.903 7.404 35 HD2 LYS 5 HD2 LYS 5 -3.905 -4.977 8.296 36 HD3 LYS 5 HD3 LYS 5 -3.370 -5.888 6.856 37 HE2 LYS 5 HE2 LYS 5 -1.014 -5.210 7.340 38 HE3 LYS 5 HE3 LYS 5 -1.568 -4.393 8.804 39 HZ1 LYS 5 HZ1 LYS 5 -0.664 -6.540 9.205 40 HZ2 LYS 5 HZ2 LYS 5 -2.197 -6.450 9.726 41 HZ3 LYS 5 HZ3 LYS 5 -1.861 -7.307 8.333 42 H LEU 6 H LEU 6 -2.438 -0.591 4.951 43 HA LEU 6 HA LEU 6 -1.178 -1.296 2.431 44 HB2 LEU 6 HB2 LEU 6 -1.665 1.040 3.396 45 HB3 LEU 6 HB3 LEU 6 -0.396 0.742 4.550 46 HG LEU 6 HG LEU 6 0.495 2.130 2.867 47 HD11 LEU 6 HD11 LEU 6 2.348 1.061 1.919 48 HD12 LEU 6 HD12 LEU 6 2.045 0.177 3.430 49 HD13 LEU 6 HD13 LEU 6 1.564 -0.506 1.848 50 HD21 LEU 6 HD21 LEU 6 -1.166 1.814 1.139 51 HD22 LEU 6 HD22 LEU 6 0.422 1.519 0.427 52 HD23 LEU 6 HD23 LEU 6 -0.650 0.162 0.868 53 H ILE 7 H ILE 7 0.608 -2.607 2.250 54 HA ILE 7 HA ILE 7 2.346 -3.019 4.626 55 HB ILE 7 HB ILE 7 1.435 -5.150 2.654 56 HG12 ILE 7 HG12 ILE 7 1.154 -6.359 5.014 57 HG13 ILE 7 HG13 ILE 7 1.074 -4.726 5.651 58 HG21 ILE 7 HG21 ILE 7 3.043 -6.628 3.780 59 HG22 ILE 7 HG22 ILE 7 3.899 -5.298 3.035 60 HG23 ILE 7 HG23 ILE 7 3.625 -5.272 4.779 61 HD11 ILE 7 HD11 ILE 7 -1.145 -5.807 5.169 62 HD12 ILE 7 HD12 ILE 7 -0.907 -4.271 4.328 63 HD13 ILE 7 HD13 ILE 7 -0.744 -5.797 3.436 64 H LEU 8 H LEU 8 4.371 -2.537 4.207 65 HA LEU 8 HA LEU 8 5.150 -1.839 1.417 66 HB2 LEU 8 HB2 LEU 8 5.132 -0.203 3.669 67 HB3 LEU 8 HB3 LEU 8 6.750 -0.894 3.750 68 HG LEU 8 HG LEU 8 7.042 -0.223 1.319 69 HD11 LEU 8 HD11 LEU 8 5.626 1.450 0.363 70 HD12 LEU 8 HD12 LEU 8 4.555 0.143 0.853 71 HD13 LEU 8 HD13 LEU 8 4.663 1.603 1.850 72 HD21 LEU 8 HD21 LEU 8 8.050 1.018 3.194 73 HD22 LEU 8 HD22 LEU 8 7.545 2.131 1.922 74 HD23 LEU 8 HD23 LEU 8 6.551 1.975 3.389 75 H ASN 9 H ASN 9 6.503 -3.376 0.518 76 HA ASN 9 HA ASN 9 8.189 -5.006 2.341 77 HB2 ASN 9 HB2 ASN 9 6.103 -6.172 1.598 78 HB3 ASN 9 HB3 ASN 9 6.604 -5.957 -0.078 79 HD21 ASN 9 HD22 ASN 9 8.884 -6.941 -0.673 80 HD22 ASN 9 HD21 ASN 9 9.277 -8.381 0.164 81 H GLY 10 H GLY 10 9.896 -3.472 1.903 82 HA2 GLY 10 HA2 GLY 10 10.674 -2.972 -0.866 83 HA3 GLY 10 HA3 GLY 10 11.349 -2.279 0.605 84 H LYS 11 H LYS 11 13.182 -2.816 -1.022 85 HA LYS 11 HA LYS 11 14.178 -5.563 -0.805 86 HB2 LYS 11 HB2 LYS 11 15.927 -4.955 -2.247 87 HB3 LYS 11 HB3 LYS 11 14.453 -4.261 -2.896 88 HG2 LYS 11 HG2 LYS 11 15.894 -2.312 -1.215 89 HG3 LYS 11 HG3 LYS 11 16.954 -3.000 -2.431 90 HD2 LYS 11 HD2 LYS 11 15.163 -2.399 -4.155 91 HD3 LYS 11 HD3 LYS 11 14.334 -1.557 -2.827 92 HE2 LYS 11 HE2 LYS 11 16.546 -0.239 -2.534 93 HE3 LYS 11 HE3 LYS 11 17.022 -0.904 -4.080 94 HZ1 LYS 11 HZ1 LYS 11 14.725 0.031 -4.839 95 HZ2 LYS 11 HZ2 LYS 11 14.853 0.966 -3.510 96 HZ3 LYS 11 HZ3 LYS 11 15.998 1.093 -4.648 97 H THR 12 H THR 12 14.395 -2.788 1.167 98 HA THR 12 HA THR 12 16.623 -4.059 2.695 99 HB THR 12 HB THR 12 16.428 -1.065 2.604 100 HG1 THR 12 HG1 THR 12 17.574 -0.847 0.824 101 HG21 THR 12 HG21 THR 12 18.848 -1.165 2.868 102 HG22 THR 12 HG22 THR 12 18.098 -2.236 4.066 103 HG23 THR 12 HG23 THR 12 18.837 -2.920 2.611 104 H LEU 13 H LEU 13 13.442 -2.585 2.785 105 HA LEU 13 HA LEU 13 13.373 -2.923 5.635 106 HB2 LEU 13 HB2 LEU 13 12.664 -0.729 6.221 107 HB3 LEU 13 HB3 LEU 13 14.183 -0.588 5.379 108 HG LEU 13 HG LEU 13 12.853 1.228 4.771 109 HD11 LEU 13 HD11 LEU 13 12.650 -0.611 2.358 110 HD12 LEU 13 HD12 LEU 13 12.700 1.156 2.370 111 HD13 LEU 13 HD13 LEU 13 14.126 0.251 2.882 112 HD21 LEU 13 HD21 LEU 13 10.670 1.278 3.910 113 HD22 LEU 13 HD22 LEU 13 10.569 -0.469 3.731 114 HD23 LEU 13 HD23 LEU 13 10.624 0.264 5.357 115 H LYS 14 H LYS 14 11.098 -2.536 6.447 116 HA LYS 14 HA LYS 14 9.029 -2.976 4.398 117 HB2 LYS 14 HB2 LYS 14 9.331 -4.711 6.895 118 HB3 LYS 14 HB3 LYS 14 7.983 -4.745 5.750 119 HG2 LYS 14 HG2 LYS 14 9.783 -5.205 3.919 120 HG3 LYS 14 HG3 LYS 14 10.853 -5.588 5.266 121 HD2 LYS 14 HD2 LYS 14 9.139 -7.319 6.022 122 HD3 LYS 14 HD3 LYS 14 8.234 -6.949 4.529 123 HE2 LYS 14 HE2 LYS 14 10.497 -7.352 3.307 124 HE3 LYS 14 HE3 LYS 14 11.051 -8.085 4.811 125 HZ1 LYS 14 HZ1 LYS 14 8.848 -8.953 3.073 126 HZ2 LYS 14 HZ2 LYS 14 10.255 -9.752 3.362 127 HZ3 LYS 14 HZ3 LYS 14 9.095 -9.614 4.561 128 H GLY 15 H GLY 15 6.767 -2.672 5.468 129 HA2 GLY 15 HA2 GLY 15 6.729 -0.996 7.856 130 HA3 GLY 15 HA3 GLY 15 6.395 -0.132 6.345 131 H GLU 16 H GLU 16 4.441 -0.399 8.386 132 HA GLU 16 HA GLU 16 2.348 -1.862 6.901 133 HB2 GLU 16 HB2 GLU 16 3.351 -3.493 8.566 134 HB3 GLU 16 HB3 GLU 16 2.900 -2.376 9.857 135 HG2 GLU 16 HG2 GLU 16 0.489 -2.549 8.823 136 HG3 GLU 16 HG3 GLU 16 1.108 -3.956 7.981 137 H THR 17 H THR 17 0.728 -0.369 6.692 138 HA THR 17 HA THR 17 -0.016 1.392 8.942 139 HB THR 17 HB THR 17 -0.192 3.236 7.119 140 HG1 THR 17 HG1 THR 17 1.359 3.094 5.525 141 HG21 THR 17 HG21 THR 17 2.596 2.451 8.063 142 HG22 THR 17 HG22 THR 17 2.049 4.062 7.564 143 HG23 THR 17 HG23 THR 17 1.396 3.323 9.035 144 H THR 18 H THR 18 -2.250 2.594 8.079 145 HA THR 18 HA THR 18 -3.724 0.970 6.193 146 HB THR 18 HB THR 18 -3.810 -0.599 7.987 147 HG1 THR 18 HG1 THR 18 -6.267 0.732 8.092 148 HG21 THR 18 HG21 THR 18 -4.727 1.641 9.822 149 HG22 THR 18 HG22 THR 18 -4.889 -0.089 10.195 150 HG23 THR 18 HG23 THR 18 -3.284 0.634 9.970 151 H THR 19 H THR 19 -5.482 2.055 5.400 152 HA THR 19 HA THR 19 -6.671 4.318 6.678 153 HB THR 19 HB THR 19 -4.995 4.761 4.193 154 HG1 THR 19 HG1 THR 19 -4.448 4.954 6.718 155 HG21 THR 19 HG21 THR 19 -6.905 6.653 5.633 156 HG22 THR 19 HG22 THR 19 -5.765 7.127 4.348 157 HG23 THR 19 HG23 THR 19 -7.106 6.030 3.990 158 H GLU 20 H GLU 20 -8.840 4.642 5.816 159 HA GLU 20 HA GLU 20 -9.670 2.452 4.037 160 HB2 GLU 20 HB2 GLU 20 -11.973 3.125 4.664 161 HB3 GLU 20 HB3 GLU 20 -10.942 2.643 6.011 162 HG2 GLU 20 HG2 GLU 20 -10.581 5.216 6.372 163 HG3 GLU 20 HG3 GLU 20 -11.976 5.403 5.312 164 H ALA 21 H ALA 21 -10.907 2.773 2.122 165 HA ALA 21 HA ALA 21 -10.960 5.411 0.894 166 HB1 ALA 21 HB1 ALA 21 -8.616 4.542 0.491 167 HB2 ALA 21 HB2 ALA 21 -9.347 3.140 -0.337 168 HB3 ALA 21 HB3 ALA 21 -9.573 4.771 -0.978 169 H VAL 22 H VAL 22 -12.130 5.351 -1.168 170 HA VAL 22 HA VAL 22 -14.294 3.474 -1.129 171 HB VAL 22 HB VAL 22 -14.520 5.828 -1.793 172 HG11 VAL 22 HG11 VAL 22 -13.988 6.637 -4.001 173 HG12 VAL 22 HG12 VAL 22 -12.498 6.104 -3.208 174 HG13 VAL 22 HG13 VAL 22 -13.263 5.095 -4.459 175 HG21 VAL 22 HG21 VAL 22 -15.449 3.883 -3.935 176 HG22 VAL 22 HG22 VAL 22 -16.249 4.169 -2.373 177 HG23 VAL 22 HG23 VAL 22 -16.150 5.475 -3.565 178 H ASP 23 H ASP 23 -11.409 3.861 -3.270 179 HA ASP 23 HA ASP 23 -11.702 1.048 -4.153 180 HB2 ASP 23 HB2 ASP 23 -11.823 3.548 -5.790 181 HB3 ASP 23 HB3 ASP 23 -10.672 2.354 -6.365 182 H ALA 24 H ALA 24 -9.669 0.283 -5.125 183 HA ALA 24 HA ALA 24 -7.500 0.680 -3.372 184 HB1 ALA 24 HB1 ALA 24 -7.835 -1.388 -4.647 185 HB2 ALA 24 HB2 ALA 24 -7.521 -0.525 -6.162 186 HB3 ALA 24 HB3 ALA 24 -6.229 -0.718 -4.988 187 H ALA 25 H ALA 25 -8.013 2.065 -6.695 188 HA ALA 25 HA ALA 25 -5.572 3.386 -6.912 189 HB1 ALA 25 HB1 ALA 25 -7.116 3.204 -8.777 190 HB2 ALA 25 HB2 ALA 25 -8.301 4.236 -7.953 191 HB3 ALA 25 HB3 ALA 25 -6.743 4.911 -8.489 192 H THR 26 H THR 26 -8.391 4.379 -4.947 193 HA THR 26 HA THR 26 -7.502 7.100 -4.532 194 HB THR 26 HB THR 26 -9.322 5.262 -2.943 195 HG1 THR 26 HG1 THR 26 -10.108 7.344 -4.662 196 HG21 THR 26 HG21 THR 26 -10.338 7.278 -1.983 197 HG22 THR 26 HG22 THR 26 -8.634 7.149 -1.523 198 HG23 THR 26 HG23 THR 26 -9.121 8.291 -2.791 199 H ALA 27 H ALA 27 -7.262 4.028 -2.689 200 HA ALA 27 HA ALA 27 -5.782 5.070 -0.526 201 HB1 ALA 27 HB1 ALA 27 -5.951 2.225 -1.647 202 HB2 ALA 27 HB2 ALA 27 -5.250 2.656 -0.084 203 HB3 ALA 27 HB3 ALA 27 -6.974 2.923 -0.374 204 H GLU 28 H GLU 28 -4.758 3.475 -3.485 205 HA GLU 28 HA GLU 28 -2.020 3.127 -3.149 206 HB2 GLU 28 HB2 GLU 28 -3.459 2.254 -4.977 207 HB3 GLU 28 HB3 GLU 28 -3.706 3.887 -5.565 208 HG2 GLU 28 HG2 GLU 28 -1.092 3.906 -5.862 209 HG3 GLU 28 HG3 GLU 28 -1.255 2.144 -5.796 210 H LYS 29 H LYS 29 -3.710 5.921 -4.673 211 HA LYS 29 HA LYS 29 -1.425 7.474 -5.152 212 HB2 LYS 29 HB2 LYS 29 -3.620 7.861 -6.165 213 HB3 LYS 29 HB3 LYS 29 -4.301 8.329 -4.607 214 HG2 LYS 29 HG2 LYS 29 -3.006 10.358 -4.533 215 HG3 LYS 29 HG3 LYS 29 -1.938 9.807 -5.833 216 HD2 LYS 29 HD2 LYS 29 -3.437 11.462 -6.727 217 HD3 LYS 29 HD3 LYS 29 -3.822 9.888 -7.436 218 HE2 LYS 29 HE2 LYS 29 -5.688 9.639 -5.775 219 HE3 LYS 29 HE3 LYS 29 -5.301 11.243 -5.131 220 HZ1 LYS 29 HZ1 LYS 29 -7.077 11.411 -6.678 221 HZ2 LYS 29 HZ2 LYS 29 -5.756 12.121 -7.351 222 HZ3 LYS 29 HZ3 LYS 29 -6.214 10.629 -7.871 223 H VAL 30 H VAL 30 -3.610 7.559 -2.346 224 HA VAL 30 HA VAL 30 -2.334 9.650 -0.944 225 HB VAL 30 HB VAL 30 -4.129 7.307 -0.196 226 HG11 VAL 30 HG11 VAL 30 -2.959 7.824 1.877 227 HG12 VAL 30 HG12 VAL 30 -3.247 9.554 1.626 228 HG13 VAL 30 HG13 VAL 30 -4.604 8.454 1.952 229 HG21 VAL 30 HG21 VAL 30 -5.854 9.023 -0.115 230 HG22 VAL 30 HG22 VAL 30 -4.653 10.309 -0.382 231 HG23 VAL 30 HG23 VAL 30 -5.021 9.151 -1.660 232 H PHE 31 H PHE 31 -1.958 6.049 -0.368 233 HA PHE 31 HA PHE 31 0.198 6.614 1.420 234 HB2 PHE 31 HB2 PHE 31 -1.038 4.124 0.330 235 HB3 PHE 31 HB3 PHE 31 0.578 4.001 1.000 236 HD1 PHE 31 HD2 PHE 31 0.787 5.644 3.309 237 HD2 PHE 31 HD1 PHE 31 -2.633 3.394 1.946 238 HE1 PHE 31 HE2 PHE 31 -0.001 5.457 5.628 239 HE2 PHE 31 HE1 PHE 31 -3.370 3.142 4.282 240 HZ PHE 31 HZ PHE 31 -2.084 4.204 6.140 241 H LYS 32 H LYS 32 0.346 6.643 -2.001 242 HA LYS 32 HA LYS 32 2.929 5.578 -2.434 243 HB2 LYS 32 HB2 LYS 32 1.306 6.369 -4.189 244 HB3 LYS 32 HB3 LYS 32 1.737 8.038 -3.780 245 HG2 LYS 32 HG2 LYS 32 4.080 7.592 -4.415 246 HG3 LYS 32 HG3 LYS 32 3.679 5.892 -4.749 247 HD2 LYS 32 HD2 LYS 32 2.155 6.592 -6.558 248 HD3 LYS 32 HD3 LYS 32 2.467 8.296 -6.178 249 HE2 LYS 32 HE2 LYS 32 4.929 7.840 -6.620 250 HE3 LYS 32 HE3 LYS 32 4.471 6.235 -7.194 251 HZ1 LYS 32 HZ1 LYS 32 3.027 7.411 -8.850 252 HZ2 LYS 32 HZ2 LYS 32 3.694 8.828 -8.378 253 HZ3 LYS 32 HZ3 LYS 32 4.631 7.644 -9.050 254 H GLN 33 H GLN 33 1.926 8.639 -1.029 255 HA GLN 33 HA GLN 33 4.321 10.100 -1.006 256 HB2 GLN 33 HB2 GLN 33 2.016 9.908 0.994 257 HB3 GLN 33 HB3 GLN 33 3.262 11.160 1.051 258 HG2 GLN 33 HG2 GLN 33 2.589 11.987 -1.138 259 HG3 GLN 33 HG3 GLN 33 1.415 10.685 -1.337 260 HE21 GLN 33 HE22 GLN 33 2.155 13.070 1.354 261 HE22 GLN 33 HE21 GLN 33 0.588 13.815 1.199 262 H TYR 34 H TYR 34 3.005 7.998 1.584 263 HA TYR 34 HA TYR 34 5.344 8.041 3.223 264 HB2 TYR 34 HB2 TYR 34 3.547 7.501 4.476 265 HB3 TYR 34 HB3 TYR 34 2.694 6.727 3.158 266 HD1 TYR 34 HD2 TYR 34 5.309 6.165 5.769 267 HD2 TYR 34 HD1 TYR 34 2.713 4.364 2.829 268 HE1 TYR 34 HE2 TYR 34 5.741 3.935 6.755 269 HE2 TYR 34 HE1 TYR 34 3.123 2.148 3.840 270 HH TYR 34 HH TYR 34 3.797 1.272 6.178 271 H ALA 35 H ALA 35 4.225 5.762 0.672 272 HA ALA 35 HA ALA 35 6.117 3.731 1.134 273 HB1 ALA 35 HB1 ALA 35 5.760 3.148 -1.261 274 HB2 ALA 35 HB2 ALA 35 4.228 3.473 -0.420 275 HB3 ALA 35 HB3 ALA 35 4.934 4.690 -1.511 276 H ASN 36 H ASN 36 6.344 6.548 -1.082 277 HA ASN 36 HA ASN 36 9.026 6.070 -1.883 278 HB2 ASN 36 HB2 ASN 36 7.425 7.605 -3.063 279 HB3 ASN 36 HB3 ASN 36 7.540 8.738 -1.716 280 HD21 ASN 36 HD22 ASN 36 9.531 6.957 -4.093 281 HD22 ASN 36 HD21 ASN 36 10.769 8.175 -4.291 282 H ASP 37 H ASP 37 7.687 8.134 0.721 283 HA ASP 37 HA ASP 37 10.127 9.278 1.598 284 HB2 ASP 37 HB2 ASP 37 7.978 10.151 2.218 285 HB3 ASP 37 HB3 ASP 37 7.589 8.679 3.143 286 H ASN 38 H ASN 38 8.616 6.183 2.447 287 HA ASN 38 HA ASN 38 10.619 5.624 4.495 288 HB2 ASN 38 HB2 ASN 38 8.125 4.934 4.473 289 HB3 ASN 38 HB3 ASN 38 8.627 3.672 3.356 290 HD21 ASN 38 HD22 ASN 38 7.975 2.054 5.013 291 HD22 ASN 38 HD21 ASN 38 9.060 1.761 6.358 292 H GLY 39 H GLY 39 10.772 5.550 1.132 293 HA2 GLY 39 HA2 GLY 39 12.635 4.919 -0.066 294 HA3 GLY 39 HA3 GLY 39 13.195 3.917 1.249 295 H VAL 40 H VAL 40 9.910 3.549 -0.334 296 HA VAL 40 HA VAL 40 10.987 1.031 -1.531 297 HB VAL 40 HB VAL 40 8.315 1.315 -0.128 298 HG11 VAL 40 HG11 VAL 40 9.665 -1.054 -1.492 299 HG12 VAL 40 HG12 VAL 40 8.270 -1.213 -0.410 300 HG13 VAL 40 HG13 VAL 40 8.111 -0.312 -1.913 301 HG21 VAL 40 HG21 VAL 40 10.066 1.247 1.559 302 HG22 VAL 40 HG22 VAL 40 9.342 -0.364 1.490 303 HG23 VAL 40 HG23 VAL 40 10.899 -0.067 0.714 304 H ASP 41 H ASP 41 10.165 0.373 -3.470 305 HA ASP 41 HA ASP 41 8.072 1.831 -4.831 306 HB2 ASP 41 HB2 ASP 41 10.358 3.142 -5.114 307 HB3 ASP 41 HB3 ASP 41 10.800 1.831 -6.202 308 H GLY 42 H GLY 42 6.976 -0.151 -5.183 309 HA2 GLY 42 HA2 GLY 42 8.396 -2.173 -6.806 310 HA3 GLY 42 HA3 GLY 42 7.685 -2.651 -5.256 311 H GLU 43 H GLU 43 6.607 -4.046 -7.086 312 HA GLU 43 HA GLU 43 4.558 -2.780 -8.629 313 HB2 GLU 43 HB2 GLU 43 5.753 -4.987 -9.101 314 HB3 GLU 43 HB3 GLU 43 4.703 -5.725 -7.892 315 HG2 GLU 43 HG2 GLU 43 3.750 -6.094 -10.093 316 HG3 GLU 43 HG3 GLU 43 2.709 -4.947 -9.217 317 H TRP 44 H TRP 44 2.953 -1.739 -7.680 318 HA TRP 44 HA TRP 44 1.872 -2.302 -5.069 319 HB2 TRP 44 HB2 TRP 44 0.929 -0.574 -7.389 320 HB3 TRP 44 HB3 TRP 44 0.112 -0.632 -5.853 321 HD1 TRP 44 HD1 TRP 44 3.631 0.310 -7.156 322 HE1 TRP 44 HE1 TRP 44 4.622 2.122 -5.629 323 HE3 TRP 44 HE3 TRP 44 -0.222 0.771 -3.789 324 HZ2 TRP 44 HZ2 TRP 44 3.924 3.480 -3.248 325 HZ3 TRP 44 HZ3 TRP 44 -0.015 2.379 -1.900 326 HH2 TRP 44 HH2 TRP 44 2.049 3.684 -1.575 327 H THR 45 H THR 45 0.879 -4.300 -4.788 328 HA THR 45 HA THR 45 -1.249 -5.013 -6.785 329 HB THR 45 HB THR 45 0.521 -6.881 -5.181 330 HG1 THR 45 HG1 THR 45 1.525 -5.628 -6.886 331 HG21 THR 45 HG21 THR 45 -0.383 -8.597 -6.715 332 HG22 THR 45 HG22 THR 45 -1.687 -7.853 -5.765 333 HG23 THR 45 HG23 THR 45 -1.441 -7.390 -7.465 334 H TYR 46 H TYR 46 -3.205 -4.836 -5.987 335 HA TYR 46 HA TYR 46 -3.639 -4.681 -3.093 336 HB2 TYR 46 HB2 TYR 46 -5.676 -3.600 -3.533 337 HB3 TYR 46 HB3 TYR 46 -4.481 -2.847 -4.575 338 HD1 TYR 46 HD2 TYR 46 -7.465 -5.019 -4.462 339 HD2 TYR 46 HD1 TYR 46 -4.590 -3.062 -7.011 340 HE1 TYR 46 HE2 TYR 46 -8.800 -5.637 -6.427 341 HE2 TYR 46 HE1 TYR 46 -5.913 -3.671 -8.982 342 HH TYR 46 HH TYR 46 -8.626 -5.934 -8.795 343 H ASP 47 H ASP 47 -5.289 -5.821 -2.064 344 HA ASP 47 HA ASP 47 -6.432 -8.147 -3.435 345 HB2 ASP 47 HB2 ASP 47 -4.274 -8.788 -2.215 346 HB3 ASP 47 HB3 ASP 47 -5.102 -8.410 -0.708 347 H ASP 48 H ASP 48 -8.338 -6.855 -3.423 348 HA ASP 48 HA ASP 48 -9.237 -5.591 -0.997 349 HB2 ASP 48 HB2 ASP 48 -11.139 -4.947 -2.096 350 HB3 ASP 48 HB3 ASP 48 -9.951 -4.982 -3.380 351 H ALA 49 H ALA 49 -9.345 -8.917 -2.114 352 HA ALA 49 HA ALA 49 -11.617 -9.789 -0.623 353 HB1 ALA 49 HB1 ALA 49 -10.592 -12.011 -0.818 354 HB2 ALA 49 HB2 ALA 49 -10.613 -11.162 -2.367 355 HB3 ALA 49 HB3 ALA 49 -9.089 -11.308 -1.438 356 H THR 50 H THR 50 -8.068 -10.114 0.171 357 HA THR 50 HA THR 50 -8.725 -10.604 2.957 358 HB THR 50 HB THR 50 -5.927 -10.241 1.909 359 HG1 THR 50 HG1 THR 50 -6.755 -11.546 0.408 360 HG21 THR 50 HG21 THR 50 -7.238 -12.155 3.905 361 HG22 THR 50 HG22 THR 50 -5.512 -12.106 3.511 362 HG23 THR 50 HG23 THR 50 -6.252 -10.735 4.333 363 H LYS 51 H LYS 51 -8.706 -7.826 1.241 364 HA LYS 51 HA LYS 51 -8.573 -5.623 1.686 365 HB2 LYS 51 HB2 LYS 51 -9.061 -6.608 4.531 366 HB3 LYS 51 HB3 LYS 51 -9.074 -4.922 4.043 367 HG2 LYS 51 HG2 LYS 51 -10.841 -5.347 2.405 368 HG3 LYS 51 HG3 LYS 51 -10.906 -7.057 2.907 369 HD2 LYS 51 HD2 LYS 51 -11.543 -6.369 5.197 370 HD3 LYS 51 HD3 LYS 51 -11.374 -4.673 4.737 371 HE2 LYS 51 HE2 LYS 51 -13.724 -5.319 4.800 372 HE3 LYS 51 HE3 LYS 51 -13.233 -4.812 3.183 373 HZ1 LYS 51 HZ1 LYS 51 -13.201 -7.056 2.460 374 HZ2 LYS 51 HZ2 LYS 51 -13.410 -7.647 3.981 375 HZ3 LYS 51 HZ3 LYS 51 -14.613 -6.834 3.217 376 H THR 52 H THR 52 -6.207 -6.630 1.067 377 HA THR 52 HA THR 52 -4.299 -5.135 2.768 378 HB THR 52 HB THR 52 -2.702 -7.092 1.996 379 HG1 THR 52 HG1 THR 52 -3.832 -9.101 1.907 380 HG21 THR 52 HG21 THR 52 -3.293 -8.407 4.008 381 HG22 THR 52 HG22 THR 52 -3.240 -6.658 4.351 382 HG23 THR 52 HG23 THR 52 -4.801 -7.495 4.178 383 H PHE 53 H PHE 53 -2.440 -4.324 1.556 384 HA PHE 53 HA PHE 53 -2.592 -4.410 -1.351 385 HB2 PHE 53 HB2 PHE 53 -4.118 -2.527 -0.379 386 HB3 PHE 53 HB3 PHE 53 -2.630 -1.706 0.032 387 HD1 PHE 53 HD2 PHE 53 -1.355 -2.939 -2.830 388 HD2 PHE 53 HD1 PHE 53 -4.772 -0.566 -1.646 389 HE1 PHE 53 HE2 PHE 53 -1.427 -1.912 -5.054 390 HE2 PHE 53 HE1 PHE 53 -4.711 0.558 -3.842 391 HZ PHE 53 HZ PHE 53 -3.052 -0.103 -5.565 392 H THR 54 H THR 54 -0.590 -5.298 -1.501 393 HA THR 54 HA THR 54 1.556 -4.191 0.186 394 HB THR 54 HB THR 54 1.457 -6.841 -1.243 395 HG1 THR 54 HG1 THR 54 0.603 -7.647 0.568 396 HG21 THR 54 HG21 THR 54 3.739 -6.190 -0.678 397 HG22 THR 54 HG22 THR 54 3.247 -5.726 0.953 398 HG23 THR 54 HG23 THR 54 3.211 -7.434 0.461 399 H VAL 55 H VAL 55 3.381 -3.382 -0.573 400 HA VAL 55 HA VAL 55 3.719 -2.999 -3.510 401 HB VAL 55 HB VAL 55 4.937 -1.363 -1.226 402 HG11 VAL 55 HG11 VAL 55 6.144 -1.281 -3.371 403 HG12 VAL 55 HG12 VAL 55 4.646 -0.819 -4.212 404 HG13 VAL 55 HG13 VAL 55 5.377 0.278 -3.018 405 HG21 VAL 55 HG21 VAL 55 2.400 -0.817 -2.782 406 HG22 VAL 55 HG22 VAL 55 2.595 -0.988 -1.011 407 HG23 VAL 55 HG23 VAL 55 3.281 0.409 -1.838 408 H THR 56 H THR 56 4.980 -4.773 -4.072 409 HA THR 56 HA THR 56 7.169 -5.624 -2.254 410 HB THR 56 HB THR 56 5.757 -7.101 -4.478 411 HG1 THR 56 HG1 THR 56 4.523 -7.928 -3.034 412 HG21 THR 56 HG21 THR 56 7.625 -8.138 -2.312 413 HG22 THR 56 HG22 THR 56 6.762 -9.112 -3.508 414 HG23 THR 56 HG23 THR 56 8.034 -7.989 -4.036 415 H GLU 57 H GLU 57 9.054 -4.698 -2.776 416 HA GLU 57 HA GLU 57 9.646 -3.864 -5.560 417 HB2 GLU 57 HB2 GLU 57 9.916 -2.221 -3.785 418 HB3 GLU 57 HB3 GLU 57 11.013 -3.300 -2.903 419 HG2 GLU 57 HG2 GLU 57 12.730 -3.105 -4.495 420 HG3 GLU 57 HG3 GLU 57 11.654 -2.499 -5.737 Start of MODEL 5 1 H1 MET 1 H MET 1 -17.803 3.402 1.862 2 HA MET 1 HA MET 1 -15.690 2.697 0.816 3 HB2 MET 1 HB2 MET 1 -15.620 3.440 3.773 4 HB3 MET 1 HB3 MET 1 -14.159 3.227 2.828 5 HG2 MET 1 HG2 MET 1 -14.618 5.528 2.765 6 HG3 MET 1 HG3 MET 1 -14.971 4.880 1.170 7 HE1 MET 1 HE1 MET 1 -15.674 7.528 1.405 8 HE2 MET 1 HE2 MET 1 -16.646 6.747 0.137 9 HE3 MET 1 HE3 MET 1 -17.426 7.819 1.317 10 H GLY 2 H GLY 2 -13.567 1.586 1.449 11 HA2 GLY 2 HA2 GLY 2 -13.980 -1.172 2.439 12 HA3 GLY 2 HA3 GLY 2 -13.117 -0.763 0.941 13 H THR 3 H THR 3 -11.815 -2.093 2.955 14 HA THR 3 HA THR 3 -9.976 -0.070 4.140 15 HB THR 3 HB THR 3 -10.902 -2.842 4.987 16 HG1 THR 3 HG1 THR 3 -12.367 -1.235 5.489 17 HG21 THR 3 HG21 THR 3 -9.642 -2.610 7.024 18 HG22 THR 3 HG22 THR 3 -8.503 -2.480 5.665 19 HG23 THR 3 HG23 THR 3 -9.048 -1.015 6.534 20 H TYR 4 H TYR 4 -7.736 -0.294 3.684 21 HA TYR 4 HA TYR 4 -6.831 -2.566 2.058 22 HB2 TYR 4 HB2 TYR 4 -6.707 0.343 1.140 23 HB3 TYR 4 HB3 TYR 4 -5.657 -0.919 0.531 24 HD1 TYR 4 HD1 TYR 4 -6.628 -2.927 -0.710 25 HD2 TYR 4 HD2 TYR 4 -8.954 0.581 0.275 26 HE1 TYR 4 HE1 TYR 4 -8.314 -3.584 -2.384 27 HE2 TYR 4 HE2 TYR 4 -10.644 -0.069 -1.419 28 HH TYR 4 HH TYR 4 -10.302 -2.791 -3.631 29 H LYS 5 H LYS 5 -5.604 -3.186 3.767 30 HA LYS 5 HA LYS 5 -4.033 -1.392 5.384 31 HB2 LYS 5 HB2 LYS 5 -5.043 -3.594 6.068 32 HB3 LYS 5 HB3 LYS 5 -3.919 -4.416 4.976 33 HG2 LYS 5 HG2 LYS 5 -2.008 -3.477 6.305 34 HG3 LYS 5 HG3 LYS 5 -3.192 -2.746 7.427 35 HD2 LYS 5 HD2 LYS 5 -4.136 -4.966 7.918 36 HD3 LYS 5 HD3 LYS 5 -3.016 -5.704 6.737 37 HE2 LYS 5 HE2 LYS 5 -1.108 -4.760 8.068 38 HE3 LYS 5 HE3 LYS 5 -2.275 -4.271 9.317 39 HZ1 LYS 5 HZ1 LYS 5 -1.265 -6.373 9.784 40 HZ2 LYS 5 HZ2 LYS 5 -2.893 -6.647 9.458 41 HZ3 LYS 5 HZ3 LYS 5 -1.691 -6.988 8.351 42 H LEU 6 H LEU 6 -1.941 -0.713 5.045 43 HA LEU 6 HA LEU 6 -0.695 -1.380 2.481 44 HB2 LEU 6 HB2 LEU 6 -0.884 0.947 3.922 45 HB3 LEU 6 HB3 LEU 6 0.650 0.358 4.521 46 HG LEU 6 HG LEU 6 -0.151 1.067 1.683 47 HD11 LEU 6 HD11 LEU 6 1.739 2.674 1.960 48 HD12 LEU 6 HD12 LEU 6 0.462 2.913 3.175 49 HD13 LEU 6 HD13 LEU 6 1.973 2.078 3.610 50 HD21 LEU 6 HD21 LEU 6 2.198 0.570 0.994 51 HD22 LEU 6 HD22 LEU 6 2.390 -0.346 2.519 52 HD23 LEU 6 HD23 LEU 6 1.211 -0.845 1.284 53 H ILE 7 H ILE 7 1.108 -2.670 2.269 54 HA ILE 7 HA ILE 7 2.682 -3.420 4.653 55 HB ILE 7 HB ILE 7 1.665 -5.417 2.596 56 HG12 ILE 7 HG12 ILE 7 1.132 -6.528 5.029 57 HG13 ILE 7 HG13 ILE 7 0.996 -4.840 5.485 58 HG21 ILE 7 HG21 ILE 7 4.043 -5.822 3.135 59 HG22 ILE 7 HG22 ILE 7 3.684 -5.725 4.872 60 HG23 ILE 7 HG23 ILE 7 3.038 -7.049 3.874 61 HD11 ILE 7 HD11 ILE 7 -0.559 -6.281 3.284 62 HD12 ILE 7 HD12 ILE 7 -1.181 -5.755 4.869 63 HD13 ILE 7 HD13 ILE 7 -0.708 -4.560 3.648 64 H LEU 8 H LEU 8 4.458 -2.390 4.259 65 HA LEU 8 HA LEU 8 5.488 -1.850 1.529 66 HB2 LEU 8 HB2 LEU 8 5.791 -0.709 4.252 67 HB3 LEU 8 HB3 LEU 8 7.351 -1.078 3.540 68 HG LEU 8 HG LEU 8 6.874 0.335 1.606 69 HD11 LEU 8 HD11 LEU 8 4.494 0.198 1.371 70 HD12 LEU 8 HD12 LEU 8 4.239 0.883 2.994 71 HD13 LEU 8 HD13 LEU 8 4.905 1.885 1.682 72 HD21 LEU 8 HD21 LEU 8 7.985 1.280 3.571 73 HD22 LEU 8 HD22 LEU 8 6.925 2.493 2.845 74 HD23 LEU 8 HD23 LEU 8 6.417 1.635 4.318 75 H ASN 9 H ASN 9 6.770 -3.505 0.624 76 HA ASN 9 HA ASN 9 8.456 -5.113 2.477 77 HB2 ASN 9 HB2 ASN 9 6.399 -6.362 1.822 78 HB3 ASN 9 HB3 ASN 9 6.809 -6.144 0.127 79 HD21 ASN 9 HD22 ASN 9 9.232 -6.900 -0.377 80 HD22 ASN 9 HD21 ASN 9 9.563 -8.514 0.198 81 H GLY 10 H GLY 10 9.976 -3.397 1.930 82 HA2 GLY 10 HA2 GLY 10 10.741 -2.986 -0.842 83 HA3 GLY 10 HA3 GLY 10 11.378 -2.206 0.603 84 H LYS 11 H LYS 11 13.260 -2.743 -1.034 85 HA LYS 11 HA LYS 11 14.363 -5.445 -0.602 86 HB2 LYS 11 HB2 LYS 11 16.096 -4.881 -2.118 87 HB3 LYS 11 HB3 LYS 11 14.554 -4.500 -2.837 88 HG2 LYS 11 HG2 LYS 11 16.035 -2.230 -1.483 89 HG3 LYS 11 HG3 LYS 11 16.725 -2.889 -2.974 90 HD2 LYS 11 HD2 LYS 11 14.649 -2.512 -4.183 91 HD3 LYS 11 HD3 LYS 11 13.873 -1.939 -2.704 92 HE2 LYS 11 HE2 LYS 11 15.281 0.026 -2.623 93 HE3 LYS 11 HE3 LYS 11 16.269 -0.557 -3.977 94 HZ1 LYS 11 HZ1 LYS 11 13.378 -0.175 -4.335 95 HZ2 LYS 11 HZ2 LYS 11 14.426 1.119 -4.505 96 HZ3 LYS 11 HZ3 LYS 11 14.511 -0.212 -5.464 97 H THR 12 H THR 12 14.336 -2.765 1.296 98 HA THR 12 HA THR 12 16.812 -3.644 2.661 99 HB THR 12 HB THR 12 16.237 -0.696 2.171 100 HG1 THR 12 HG1 THR 12 17.928 -0.798 0.674 101 HG21 THR 12 HG21 THR 12 17.688 -1.096 4.102 102 HG22 THR 12 HG22 THR 12 18.706 -2.198 3.143 103 HG23 THR 12 HG23 THR 12 18.660 -0.464 2.774 104 H LEU 13 H LEU 13 13.535 -2.232 2.881 105 HA LEU 13 HA LEU 13 13.514 -2.768 5.731 106 HB2 LEU 13 HB2 LEU 13 12.784 -0.620 6.410 107 HB3 LEU 13 HB3 LEU 13 14.283 -0.412 5.552 108 HG LEU 13 HG LEU 13 12.905 1.398 5.053 109 HD11 LEU 13 HD11 LEU 13 14.181 0.550 3.117 110 HD12 LEU 13 HD12 LEU 13 12.723 -0.312 2.552 111 HD13 LEU 13 HD13 LEU 13 12.740 1.458 2.662 112 HD21 LEU 13 HD21 LEU 13 10.713 1.473 4.245 113 HD22 LEU 13 HD22 LEU 13 10.636 -0.264 3.940 114 HD23 LEU 13 HD23 LEU 13 10.688 0.351 5.608 115 H LYS 14 H LYS 14 11.240 -2.447 6.595 116 HA LYS 14 HA LYS 14 9.132 -2.844 4.563 117 HB2 LYS 14 HB2 LYS 14 9.550 -4.663 6.976 118 HB3 LYS 14 HB3 LYS 14 8.190 -4.724 5.848 119 HG2 LYS 14 HG2 LYS 14 10.028 -5.019 4.001 120 HG3 LYS 14 HG3 LYS 14 11.100 -5.406 5.346 121 HD2 LYS 14 HD2 LYS 14 9.435 -7.194 6.028 122 HD3 LYS 14 HD3 LYS 14 8.549 -6.842 4.529 123 HE2 LYS 14 HE2 LYS 14 10.774 -7.250 3.289 124 HE3 LYS 14 HE3 LYS 14 11.412 -7.852 4.824 125 HZ1 LYS 14 HZ1 LYS 14 9.122 -8.929 3.313 126 HZ2 LYS 14 HZ2 LYS 14 10.582 -9.628 3.457 127 HZ3 LYS 14 HZ3 LYS 14 9.577 -9.506 4.790 128 H GLY 15 H GLY 15 6.860 -2.736 5.643 129 HA2 GLY 15 HA2 GLY 15 6.698 -1.275 8.147 130 HA3 GLY 15 HA3 GLY 15 6.346 -0.284 6.729 131 H GLU 16 H GLU 16 4.406 -0.972 8.805 132 HA GLU 16 HA GLU 16 2.358 -2.230 7.089 133 HB2 GLU 16 HB2 GLU 16 3.238 -4.066 8.514 134 HB3 GLU 16 HB3 GLU 16 2.960 -3.081 9.950 135 HG2 GLU 16 HG2 GLU 16 0.452 -2.998 9.106 136 HG3 GLU 16 HG3 GLU 16 0.928 -4.328 8.067 137 H THR 17 H THR 17 0.747 -0.698 6.995 138 HA THR 17 HA THR 17 -0.124 0.688 9.456 139 HB THR 17 HB THR 17 -0.415 2.761 7.914 140 HG1 THR 17 HG1 THR 17 1.017 2.975 6.302 141 HG21 THR 17 HG21 THR 17 1.125 2.687 9.827 142 HG22 THR 17 HG22 THR 17 2.365 1.936 8.830 143 HG23 THR 17 HG23 THR 17 1.837 3.587 8.478 144 H THR 18 H THR 18 -2.447 1.856 8.829 145 HA THR 18 HA THR 18 -3.817 0.165 6.832 146 HB THR 18 HB THR 18 -3.620 -0.945 9.071 147 HG1 THR 18 HG1 THR 18 -6.307 -0.542 8.500 148 HG21 THR 18 HG21 THR 18 -3.930 0.938 10.590 149 HG22 THR 18 HG22 THR 18 -5.610 1.122 10.058 150 HG23 THR 18 HG23 THR 18 -5.102 -0.353 10.898 151 H THR 19 H THR 19 -5.442 1.309 5.769 152 HA THR 19 HA THR 19 -6.658 3.653 6.926 153 HB THR 19 HB THR 19 -5.273 4.034 4.282 154 HG1 THR 19 HG1 THR 19 -4.188 4.132 6.824 155 HG21 THR 19 HG21 THR 19 -6.284 5.967 6.390 156 HG22 THR 19 HG22 THR 19 -5.440 6.430 4.888 157 HG23 THR 19 HG23 THR 19 -7.021 5.646 4.812 158 H GLU 20 H GLU 20 -8.749 3.961 6.069 159 HA GLU 20 HA GLU 20 -9.646 2.001 4.058 160 HB2 GLU 20 HB2 GLU 20 -11.899 2.597 4.849 161 HB3 GLU 20 HB3 GLU 20 -10.837 2.062 6.140 162 HG2 GLU 20 HG2 GLU 20 -10.452 4.676 6.512 163 HG3 GLU 20 HG3 GLU 20 -11.939 4.825 5.564 164 H ALA 21 H ALA 21 -11.087 2.732 2.297 165 HA ALA 21 HA ALA 21 -11.119 5.515 1.509 166 HB1 ALA 21 HB1 ALA 21 -9.893 5.156 -0.605 167 HB2 ALA 21 HB2 ALA 21 -8.820 4.916 0.776 168 HB3 ALA 21 HB3 ALA 21 -9.463 3.505 -0.112 169 H VAL 22 H VAL 22 -12.318 5.659 -0.683 170 HA VAL 22 HA VAL 22 -14.495 3.707 -0.659 171 HB VAL 22 HB VAL 22 -14.661 6.227 -1.019 172 HG11 VAL 22 HG11 VAL 22 -14.410 7.167 -3.212 173 HG12 VAL 22 HG12 VAL 22 -12.880 6.346 -2.846 174 HG13 VAL 22 HG13 VAL 22 -14.054 5.595 -3.939 175 HG21 VAL 22 HG21 VAL 22 -16.618 6.066 -2.409 176 HG22 VAL 22 HG22 VAL 22 -16.073 4.534 -3.106 177 HG23 VAL 22 HG23 VAL 22 -16.524 4.619 -1.390 178 H ASP 23 H ASP 23 -11.553 4.221 -2.581 179 HA ASP 23 HA ASP 23 -12.118 1.762 -4.105 180 HB2 ASP 23 HB2 ASP 23 -12.270 4.499 -5.140 181 HB3 ASP 23 HB3 ASP 23 -10.896 3.682 -5.855 182 H ALA 24 H ALA 24 -10.228 0.816 -4.959 183 HA ALA 24 HA ALA 24 -7.932 0.981 -3.307 184 HB1 ALA 24 HB1 ALA 24 -8.234 -0.199 -6.109 185 HB2 ALA 24 HB2 ALA 24 -6.908 -0.527 -4.971 186 HB3 ALA 24 HB3 ALA 24 -8.553 -1.044 -4.581 187 H ALA 25 H ALA 25 -8.763 2.600 -6.373 188 HA ALA 25 HA ALA 25 -6.219 3.628 -7.035 189 HB1 ALA 25 HB1 ALA 25 -8.207 3.722 -8.494 190 HB2 ALA 25 HB2 ALA 25 -8.951 4.932 -7.429 191 HB3 ALA 25 HB3 ALA 25 -7.443 5.316 -8.307 192 H THR 26 H THR 26 -8.590 4.823 -4.585 193 HA THR 26 HA THR 26 -7.201 7.360 -4.231 194 HB THR 26 HB THR 26 -9.147 5.885 -2.425 195 HG1 THR 26 HG1 THR 26 -9.490 7.833 -4.459 196 HG21 THR 26 HG21 THR 26 -7.934 7.617 -1.177 197 HG22 THR 26 HG22 THR 26 -8.234 8.799 -2.461 198 HG23 THR 26 HG23 THR 26 -9.579 8.172 -1.488 199 H ALA 27 H ALA 27 -7.227 4.120 -2.668 200 HA ALA 27 HA ALA 27 -5.376 4.691 -0.616 201 HB1 ALA 27 HB1 ALA 27 -5.871 2.063 -2.100 202 HB2 ALA 27 HB2 ALA 27 -5.024 2.241 -0.573 203 HB3 ALA 27 HB3 ALA 27 -6.747 2.648 -0.674 204 H GLU 28 H GLU 28 -4.818 3.540 -3.983 205 HA GLU 28 HA GLU 28 -2.013 3.396 -3.911 206 HB2 GLU 28 HB2 GLU 28 -3.669 2.645 -5.751 207 HB3 GLU 28 HB3 GLU 28 -3.665 4.343 -6.308 208 HG2 GLU 28 HG2 GLU 28 -1.100 4.085 -6.365 209 HG3 GLU 28 HG3 GLU 28 -1.356 2.371 -6.299 210 H LYS 29 H LYS 29 -4.079 6.211 -4.664 211 HA LYS 29 HA LYS 29 -1.936 7.998 -5.279 212 HB2 LYS 29 HB2 LYS 29 -4.265 8.397 -5.898 213 HB3 LYS 29 HB3 LYS 29 -4.737 8.547 -4.200 214 HG2 LYS 29 HG2 LYS 29 -3.394 10.568 -3.941 215 HG3 LYS 29 HG3 LYS 29 -2.697 10.358 -5.560 216 HD2 LYS 29 HD2 LYS 29 -4.392 12.057 -5.622 217 HD3 LYS 29 HD3 LYS 29 -4.920 10.663 -6.565 218 HE2 LYS 29 HE2 LYS 29 -6.415 9.958 -4.727 219 HE3 LYS 29 HE3 LYS 29 -5.761 11.237 -3.685 220 HZ1 LYS 29 HZ1 LYS 29 -7.835 11.927 -4.580 221 HZ2 LYS 29 HZ2 LYS 29 -6.638 12.849 -5.266 222 HZ3 LYS 29 HZ3 LYS 29 -7.348 11.646 -6.138 223 H VAL 30 H VAL 30 -3.618 7.340 -2.177 224 HA VAL 30 HA VAL 30 -2.128 9.293 -0.674 225 HB VAL 30 HB VAL 30 -3.848 6.869 0.034 226 HG11 VAL 30 HG11 VAL 30 -2.372 7.293 1.979 227 HG12 VAL 30 HG12 VAL 30 -2.831 8.992 1.943 228 HG13 VAL 30 HG13 VAL 30 -4.049 7.760 2.323 229 HG21 VAL 30 HG21 VAL 30 -4.389 9.855 0.203 230 HG22 VAL 30 HG22 VAL 30 -5.015 8.802 -1.073 231 HG23 VAL 30 HG23 VAL 30 -5.541 8.562 0.600 232 H PHE 31 H PHE 31 -1.904 5.662 -0.673 233 HA PHE 31 HA PHE 31 0.328 5.537 1.013 234 HB2 PHE 31 HB2 PHE 31 -0.630 3.588 -1.098 235 HB3 PHE 31 HB3 PHE 31 0.473 3.197 0.201 236 HD1 PHE 31 HD2 PHE 31 -1.512 5.213 2.101 237 HD2 PHE 31 HD1 PHE 31 -1.859 1.547 -0.148 238 HE1 PHE 31 HE2 PHE 31 -3.530 4.683 3.305 239 HE2 PHE 31 HE1 PHE 31 -3.864 0.954 1.146 240 HZ PHE 31 HZ PHE 31 -4.792 2.529 2.810 241 H LYS 32 H LYS 32 0.348 6.039 -2.521 242 HA LYS 32 HA LYS 32 3.052 5.242 -2.840 243 HB2 LYS 32 HB2 LYS 32 1.331 5.588 -4.602 244 HB3 LYS 32 HB3 LYS 32 1.596 7.343 -4.476 245 HG2 LYS 32 HG2 LYS 32 3.922 7.034 -5.140 246 HG3 LYS 32 HG3 LYS 32 3.765 5.271 -5.086 247 HD2 LYS 32 HD2 LYS 32 2.109 7.026 -6.925 248 HD3 LYS 32 HD3 LYS 32 3.652 6.316 -7.409 249 HE2 LYS 32 HE2 LYS 32 2.850 4.082 -7.188 250 HE3 LYS 32 HE3 LYS 32 1.375 4.601 -6.365 251 HZ1 LYS 32 HZ1 LYS 32 0.670 5.677 -8.399 252 HZ2 LYS 32 HZ2 LYS 32 2.022 5.109 -9.203 253 HZ3 LYS 32 HZ3 LYS 32 0.875 4.091 -8.602 254 H GLN 33 H GLN 33 1.764 8.251 -1.482 255 HA GLN 33 HA GLN 33 4.186 9.807 -1.748 256 HB2 GLN 33 HB2 GLN 33 1.962 9.820 0.363 257 HB3 GLN 33 HB3 GLN 33 3.299 10.958 0.329 258 HG2 GLN 33 HG2 GLN 33 2.518 11.899 -1.788 259 HG3 GLN 33 HG3 GLN 33 1.231 10.676 -1.861 260 HE21 GLN 33 HE22 GLN 33 -0.517 12.192 -1.740 261 HE22 GLN 33 HE21 GLN 33 -0.855 13.076 -0.250 262 H TYR 34 H TYR 34 2.779 8.004 0.944 263 HA TYR 34 HA TYR 34 4.872 8.085 2.765 264 HB2 TYR 34 HB2 TYR 34 2.650 7.525 3.427 265 HB3 TYR 34 HB3 TYR 34 2.562 6.173 2.300 266 HD1 TYR 34 HD2 TYR 34 4.328 7.374 5.376 267 HD2 TYR 34 HD1 TYR 34 3.316 4.018 2.880 268 HE1 TYR 34 HE2 TYR 34 5.407 5.843 6.995 269 HE2 TYR 34 HE1 TYR 34 4.236 2.472 4.578 270 HH TYR 34 HH TYR 34 4.993 2.343 6.787 271 H ALA 35 H ALA 35 4.237 5.496 0.311 272 HA ALA 35 HA ALA 35 6.351 3.804 1.140 273 HB1 ALA 35 HB1 ALA 35 6.253 2.897 -1.174 274 HB2 ALA 35 HB2 ALA 35 4.633 3.078 -0.453 275 HB3 ALA 35 HB3 ALA 35 5.229 4.252 -1.656 276 H ASN 36 H ASN 36 6.378 6.326 -1.444 277 HA ASN 36 HA ASN 36 9.123 6.081 -1.985 278 HB2 ASN 36 HB2 ASN 36 7.510 7.287 -3.442 279 HB3 ASN 36 HB3 ASN 36 7.426 8.603 -2.258 280 HD21 ASN 36 HD22 ASN 36 9.010 10.293 -2.571 281 HD22 ASN 36 HD21 ASN 36 10.461 10.013 -3.506 282 H ASP 37 H ASP 37 7.474 8.211 0.379 283 HA ASP 37 HA ASP 37 9.837 9.619 1.176 284 HB2 ASP 37 HB2 ASP 37 7.548 10.448 1.532 285 HB3 ASP 37 HB3 ASP 37 7.243 9.139 2.673 286 H ASN 38 H ASN 38 8.796 6.395 1.873 287 HA ASN 38 HA ASN 38 10.502 6.152 4.290 288 HB2 ASN 38 HB2 ASN 38 8.066 5.339 4.104 289 HB3 ASN 38 HB3 ASN 38 8.684 4.055 3.065 290 HD21 ASN 38 HD22 ASN 38 7.315 3.362 5.397 291 HD22 ASN 38 HD21 ASN 38 8.459 2.705 6.533 292 H GLY 39 H GLY 39 10.891 5.856 0.934 293 HA2 GLY 39 HA2 GLY 39 12.841 5.154 -0.139 294 HA3 GLY 39 HA3 GLY 39 13.347 4.280 1.292 295 H VAL 40 H VAL 40 10.101 3.805 -0.154 296 HA VAL 40 HA VAL 40 10.992 1.198 -1.274 297 HB VAL 40 HB VAL 40 8.444 1.760 0.308 298 HG11 VAL 40 HG11 VAL 40 9.479 -0.841 -0.915 299 HG12 VAL 40 HG12 VAL 40 8.089 -0.727 0.156 300 HG13 VAL 40 HG13 VAL 40 8.031 0.057 -1.420 301 HG21 VAL 40 HG21 VAL 40 10.906 0.132 1.049 302 HG22 VAL 40 HG22 VAL 40 10.321 1.607 1.853 303 HG23 VAL 40 HG23 VAL 40 9.381 0.115 1.948 304 H ASP 41 H ASP 41 9.963 0.606 -3.164 305 HA ASP 41 HA ASP 41 7.744 1.931 -4.306 306 HB2 ASP 41 HB2 ASP 41 9.287 3.775 -4.839 307 HB3 ASP 41 HB3 ASP 41 10.402 2.643 -5.626 308 H GLY 42 H GLY 42 6.982 -0.085 -4.718 309 HA2 GLY 42 HA2 GLY 42 8.631 -1.901 -6.417 310 HA3 GLY 42 HA3 GLY 42 7.815 -2.480 -4.952 311 H GLU 43 H GLU 43 6.819 -3.948 -6.387 312 HA GLU 43 HA GLU 43 4.962 -3.017 -8.412 313 HB2 GLU 43 HB2 GLU 43 6.366 -5.063 -8.520 314 HB3 GLU 43 HB3 GLU 43 5.408 -5.783 -7.220 315 HG2 GLU 43 HG2 GLU 43 3.413 -5.757 -8.594 316 HG3 GLU 43 HG3 GLU 43 4.197 -4.718 -9.812 317 H TRP 44 H TRP 44 3.287 -1.979 -7.710 318 HA TRP 44 HA TRP 44 1.967 -2.254 -5.175 319 HB2 TRP 44 HB2 TRP 44 1.367 -0.737 -7.758 320 HB3 TRP 44 HB3 TRP 44 0.385 -0.603 -6.320 321 HD1 TRP 44 HD1 TRP 44 3.850 0.363 -7.626 322 HE1 TRP 44 HE1 TRP 44 4.878 2.148 -6.127 323 HE3 TRP 44 HE3 TRP 44 0.457 0.205 -3.830 324 HZ2 TRP 44 HZ2 TRP 44 4.308 3.331 -3.549 325 HZ3 TRP 44 HZ3 TRP 44 0.768 1.625 -1.802 326 HH2 TRP 44 HH2 TRP 44 2.675 3.185 -1.664 327 H THR 45 H THR 45 0.790 -4.113 -4.759 328 HA THR 45 HA THR 45 -1.228 -4.960 -6.797 329 HB THR 45 HB THR 45 0.339 -6.716 -4.896 330 HG1 THR 45 HG1 THR 45 1.659 -5.849 -6.521 331 HG21 THR 45 HG21 THR 45 -0.496 -8.580 -6.253 332 HG22 THR 45 HG22 THR 45 -1.884 -7.635 -5.659 333 HG23 THR 45 HG23 THR 45 -1.332 -7.457 -7.337 334 H TYR 46 H TYR 46 -3.338 -5.278 -5.924 335 HA TYR 46 HA TYR 46 -3.686 -4.837 -3.019 336 HB2 TYR 46 HB2 TYR 46 -5.496 -3.327 -3.466 337 HB3 TYR 46 HB3 TYR 46 -4.094 -2.757 -4.353 338 HD1 TYR 46 HD1 TYR 46 -3.953 -3.050 -6.868 339 HD2 TYR 46 HD2 TYR 46 -7.483 -4.139 -4.618 340 HE1 TYR 46 HE1 TYR 46 -5.178 -3.452 -8.972 341 HE2 TYR 46 HE2 TYR 46 -8.704 -4.539 -6.719 342 HH TYR 46 HH TYR 46 -7.121 -4.399 -9.906 343 H ASP 47 H ASP 47 -5.540 -5.803 -2.117 344 HA ASP 47 HA ASP 47 -7.170 -7.590 -3.829 345 HB2 ASP 47 HB2 ASP 47 -5.395 -9.081 -3.099 346 HB3 ASP 47 HB3 ASP 47 -5.629 -8.568 -1.406 347 H ASP 48 H ASP 48 -9.158 -6.803 -3.410 348 HA ASP 48 HA ASP 48 -9.763 -5.360 -0.995 349 HB2 ASP 48 HB2 ASP 48 -11.792 -4.846 -1.941 350 HB3 ASP 48 HB3 ASP 48 -10.795 -5.077 -3.372 351 H ALA 49 H ALA 49 -9.899 -8.790 -1.769 352 HA ALA 49 HA ALA 49 -12.021 -9.423 0.081 353 HB1 ALA 49 HB1 ALA 49 -9.810 -11.172 -1.081 354 HB2 ALA 49 HB2 ALA 49 -11.225 -11.749 -0.178 355 HB3 ALA 49 HB3 ALA 49 -11.440 -10.940 -1.746 356 H THR 50 H THR 50 -8.449 -9.742 0.243 357 HA THR 50 HA THR 50 -8.355 -10.274 3.091 358 HB THR 50 HB THR 50 -6.120 -9.588 1.153 359 HG1 THR 50 HG1 THR 50 -7.027 -11.152 0.170 360 HG21 THR 50 HG21 THR 50 -5.336 -9.754 3.483 361 HG22 THR 50 HG22 THR 50 -6.136 -11.330 3.660 362 HG23 THR 50 HG23 THR 50 -4.770 -11.129 2.540 363 H LYS 51 H LYS 51 -8.527 -7.413 1.168 364 HA LYS 51 HA LYS 51 -8.465 -5.198 1.614 365 HB2 LYS 51 HB2 LYS 51 -8.765 -6.111 4.504 366 HB3 LYS 51 HB3 LYS 51 -8.795 -4.426 4.015 367 HG2 LYS 51 HG2 LYS 51 -10.881 -4.570 3.049 368 HG3 LYS 51 HG3 LYS 51 -10.564 -6.176 2.432 369 HD2 LYS 51 HD2 LYS 51 -10.873 -7.092 4.770 370 HD3 LYS 51 HD3 LYS 51 -11.391 -5.474 5.264 371 HE2 LYS 51 HE2 LYS 51 -13.316 -6.928 4.741 372 HE3 LYS 51 HE3 LYS 51 -13.245 -5.542 3.642 373 HZ1 LYS 51 HZ1 LYS 51 -12.164 -8.208 2.908 374 HZ2 LYS 51 HZ2 LYS 51 -13.700 -7.716 2.563 375 HZ3 LYS 51 HZ3 LYS 51 -12.413 -6.925 1.927 376 H THR 52 H THR 52 -6.191 -6.172 0.783 377 HA THR 52 HA THR 52 -4.155 -4.807 2.448 378 HB THR 52 HB THR 52 -2.599 -6.682 1.544 379 HG1 THR 52 HG1 THR 52 -3.726 -7.958 0.260 380 HG21 THR 52 HG21 THR 52 -3.253 -6.438 3.928 381 HG22 THR 52 HG22 THR 52 -4.704 -7.407 3.619 382 HG23 THR 52 HG23 THR 52 -3.096 -8.137 3.437 383 H PHE 53 H PHE 53 -2.393 -3.974 1.322 384 HA PHE 53 HA PHE 53 -2.445 -3.793 -1.578 385 HB2 PHE 53 HB2 PHE 53 -3.645 -1.774 -0.202 386 HB3 PHE 53 HB3 PHE 53 -1.990 -1.209 -0.121 387 HD1 PHE 53 HD2 PHE 53 -0.956 -2.158 -2.840 388 HD2 PHE 53 HD1 PHE 53 -4.701 -0.318 -1.706 389 HE1 PHE 53 HE2 PHE 53 -1.264 -1.330 -5.144 390 HE2 PHE 53 HE1 PHE 53 -4.947 0.557 -4.003 391 HZ PHE 53 HZ PHE 53 -3.233 0.079 -5.730 392 H THR 54 H THR 54 -0.523 -4.862 -1.783 393 HA THR 54 HA THR 54 1.636 -4.278 0.143 394 HB THR 54 HB THR 54 1.280 -6.713 -1.601 395 HG1 THR 54 HG1 THR 54 0.635 -7.678 0.384 396 HG21 THR 54 HG21 THR 54 3.626 -6.277 -0.825 397 HG22 THR 54 HG22 THR 54 3.051 -6.231 0.845 398 HG23 THR 54 HG23 THR 54 2.946 -7.733 -0.106 399 H VAL 55 H VAL 55 3.558 -3.609 -0.507 400 HA VAL 55 HA VAL 55 4.004 -2.933 -3.376 401 HB VAL 55 HB VAL 55 5.214 -1.563 -0.912 402 HG11 VAL 55 HG11 VAL 55 6.470 -1.334 -3.003 403 HG12 VAL 55 HG12 VAL 55 5.008 -0.755 -3.851 404 HG13 VAL 55 HG13 VAL 55 5.740 0.217 -2.552 405 HG21 VAL 55 HG21 VAL 55 2.748 -0.777 -2.480 406 HG22 VAL 55 HG22 VAL 55 2.852 -1.121 -0.742 407 HG23 VAL 55 HG23 VAL 55 3.641 0.317 -1.387 408 H THR 56 H THR 56 5.051 -4.875 -3.943 409 HA THR 56 HA THR 56 7.104 -5.931 -2.081 410 HB THR 56 HB THR 56 5.914 -7.297 -4.514 411 HG1 THR 56 HG1 THR 56 4.198 -7.148 -3.323 412 HG21 THR 56 HG21 THR 56 7.299 -8.386 -2.006 413 HG22 THR 56 HG22 THR 56 6.606 -9.352 -3.332 414 HG23 THR 56 HG23 THR 56 7.984 -8.311 -3.647 415 H GLU 57 H GLU 57 9.238 -5.927 -2.568 416 HA GLU 57 HA GLU 57 10.189 -5.160 -5.259 417 HB2 GLU 57 HB2 GLU 57 11.243 -4.372 -2.500 418 HB3 GLU 57 HB3 GLU 57 12.093 -4.111 -4.024 419 HG2 GLU 57 HG2 GLU 57 9.997 -2.810 -4.771 420 HG3 GLU 57 HG3 GLU 57 9.538 -2.760 -3.057 Start of MODEL 6 1 H1 MET 1 H MET 1 -18.387 2.877 2.649 2 HA MET 1 HA MET 1 -16.018 2.885 2.195 3 HB2 MET 1 HB2 MET 1 -16.993 3.877 4.429 4 HB3 MET 1 HB3 MET 1 -16.252 2.479 5.201 5 HG2 MET 1 HG2 MET 1 -14.803 4.467 5.212 6 HG3 MET 1 HG3 MET 1 -14.058 3.139 4.322 7 HE1 MET 1 HE1 MET 1 -13.352 6.296 4.415 8 HE2 MET 1 HE2 MET 1 -12.338 5.191 3.479 9 HE3 MET 1 HE3 MET 1 -12.950 6.678 2.734 10 H GLY 2 H GLY 2 -14.131 1.679 1.927 11 HA2 GLY 2 HA2 GLY 2 -14.000 -1.022 3.158 12 HA3 GLY 2 HA3 GLY 2 -13.493 -0.646 1.507 13 H THR 3 H THR 3 -12.010 -1.609 3.964 14 HA THR 3 HA THR 3 -10.105 0.605 4.422 15 HB THR 3 HB THR 3 -10.239 -2.105 5.780 16 HG1 THR 3 HG1 THR 3 -12.103 -1.271 6.318 17 HG21 THR 3 HG21 THR 3 -9.104 -0.877 7.626 18 HG22 THR 3 HG22 THR 3 -8.133 -0.884 6.145 19 HG23 THR 3 HG23 THR 3 -9.032 0.581 6.612 20 H TYR 4 H TYR 4 -7.836 0.361 3.864 21 HA TYR 4 HA TYR 4 -7.139 -2.043 2.266 22 HB2 TYR 4 HB2 TYR 4 -6.684 0.881 1.590 23 HB3 TYR 4 HB3 TYR 4 -5.674 -0.410 0.962 24 HD1 TYR 4 HD1 TYR 4 -6.522 -2.091 -0.640 25 HD2 TYR 4 HD2 TYR 4 -8.987 1.188 0.729 26 HE1 TYR 4 HE1 TYR 4 -8.028 -2.430 -2.562 27 HE2 TYR 4 HE2 TYR 4 -10.506 0.844 -1.192 28 HH TYR 4 HH TYR 4 -9.970 -1.682 -3.687 29 H LYS 5 H LYS 5 -5.891 -3.069 3.739 30 HA LYS 5 HA LYS 5 -4.172 -1.598 5.593 31 HB2 LYS 5 HB2 LYS 5 -5.291 -3.803 6.100 32 HB3 LYS 5 HB3 LYS 5 -4.263 -4.570 4.877 33 HG2 LYS 5 HG2 LYS 5 -2.235 -3.861 6.154 34 HG3 LYS 5 HG3 LYS 5 -3.295 -3.065 7.338 35 HD2 LYS 5 HD2 LYS 5 -4.416 -5.306 7.692 36 HD3 LYS 5 HD3 LYS 5 -3.116 -6.042 6.711 37 HE2 LYS 5 HE2 LYS 5 -1.456 -4.984 8.290 38 HE3 LYS 5 HE3 LYS 5 -2.814 -4.397 9.270 39 HZ1 LYS 5 HZ1 LYS 5 -3.464 -6.786 9.442 40 HZ2 LYS 5 HZ2 LYS 5 -1.974 -7.168 8.806 41 HZ3 LYS 5 HZ3 LYS 5 -2.065 -6.342 10.221 42 H LEU 6 H LEU 6 -1.957 -1.150 5.146 43 HA LEU 6 HA LEU 6 -1.013 -1.919 2.428 44 HB2 LEU 6 HB2 LEU 6 -1.411 0.535 3.261 45 HB3 LEU 6 HB3 LEU 6 0.056 0.297 4.175 46 HG LEU 6 HG LEU 6 -0.419 0.661 1.251 47 HD11 LEU 6 HD11 LEU 6 0.553 2.377 2.804 48 HD12 LEU 6 HD12 LEU 6 1.953 1.332 3.048 49 HD13 LEU 6 HD13 LEU 6 1.608 1.961 1.441 50 HD21 LEU 6 HD21 LEU 6 1.734 -0.158 0.525 51 HD22 LEU 6 HD22 LEU 6 2.050 -0.909 2.092 52 HD23 LEU 6 HD23 LEU 6 0.734 -1.507 1.036 53 H ILE 7 H ILE 7 0.672 -3.312 2.324 54 HA ILE 7 HA ILE 7 2.444 -3.697 4.682 55 HB ILE 7 HB ILE 7 1.529 -5.719 2.587 56 HG12 ILE 7 HG12 ILE 7 0.985 -7.000 4.814 57 HG13 ILE 7 HG13 ILE 7 0.997 -5.413 5.573 58 HG21 ILE 7 HG21 ILE 7 3.913 -6.024 3.041 59 HG22 ILE 7 HG22 ILE 7 3.630 -5.914 4.792 60 HG23 ILE 7 HG23 ILE 7 3.006 -7.286 3.856 61 HD11 ILE 7 HD11 ILE 7 -0.771 -6.261 3.226 62 HD12 ILE 7 HD12 ILE 7 -1.263 -6.247 4.930 63 HD13 ILE 7 HD13 ILE 7 -0.897 -4.726 4.113 64 H LEU 8 H LEU 8 4.198 -2.588 4.283 65 HA LEU 8 HA LEU 8 5.147 -2.000 1.551 66 HB2 LEU 8 HB2 LEU 8 5.120 -0.582 4.023 67 HB3 LEU 8 HB3 LEU 8 6.775 -1.144 3.876 68 HG LEU 8 HG LEU 8 6.888 -0.108 1.613 69 HD11 LEU 8 HD11 LEU 8 5.221 1.599 1.011 70 HD12 LEU 8 HD12 LEU 8 4.452 0.013 1.113 71 HD13 LEU 8 HD13 LEU 8 4.251 1.165 2.439 72 HD21 LEU 8 HD21 LEU 8 7.791 1.003 3.637 73 HD22 LEU 8 HD22 LEU 8 7.168 2.182 2.477 74 HD23 LEU 8 HD23 LEU 8 6.210 1.770 3.916 75 H ASN 9 H ASN 9 6.445 -3.661 0.638 76 HA ASN 9 HA ASN 9 8.271 -5.120 2.490 77 HB2 ASN 9 HB2 ASN 9 6.321 -6.516 1.833 78 HB3 ASN 9 HB3 ASN 9 6.746 -6.293 0.134 79 HD21 ASN 9 HD22 ASN 9 9.138 -6.917 -0.408 80 HD22 ASN 9 HD21 ASN 9 9.624 -8.455 0.288 81 H GLY 10 H GLY 10 9.752 -3.376 1.988 82 HA2 GLY 10 HA2 GLY 10 10.502 -3.037 -0.787 83 HA3 GLY 10 HA3 GLY 10 11.101 -2.148 0.620 84 H LYS 11 H LYS 11 12.922 -2.721 -1.135 85 HA LYS 11 HA LYS 11 14.203 -5.294 -0.634 86 HB2 LYS 11 HB2 LYS 11 15.824 -4.807 -2.192 87 HB3 LYS 11 HB3 LYS 11 14.293 -4.303 -2.858 88 HG2 LYS 11 HG2 LYS 11 16.284 -2.299 -1.683 89 HG3 LYS 11 HG3 LYS 11 16.415 -2.909 -3.325 90 HD2 LYS 11 HD2 LYS 11 14.052 -2.146 -3.743 91 HD3 LYS 11 HD3 LYS 11 14.136 -1.347 -2.154 92 HE2 LYS 11 HE2 LYS 11 15.804 0.171 -2.895 93 HE3 LYS 11 HE3 LYS 11 16.027 -0.686 -4.424 94 HZ1 LYS 11 HZ1 LYS 11 13.401 0.477 -3.691 95 HZ2 LYS 11 HZ2 LYS 11 14.553 1.368 -4.513 96 HZ3 LYS 11 HZ3 LYS 11 13.875 0.010 -5.127 97 H THR 12 H THR 12 14.251 -2.402 1.123 98 HA THR 12 HA THR 12 16.643 -3.429 2.581 99 HB THR 12 HB THR 12 16.134 -0.467 2.173 100 HG1 THR 12 HG1 THR 12 17.416 -0.440 0.498 101 HG21 THR 12 HG21 THR 12 17.659 -0.979 4.009 102 HG22 THR 12 HG22 THR 12 18.583 -2.108 2.989 103 HG23 THR 12 HG23 THR 12 18.613 -0.368 2.659 104 H LEU 13 H LEU 13 13.384 -1.989 2.785 105 HA LEU 13 HA LEU 13 13.375 -2.562 5.639 106 HB2 LEU 13 HB2 LEU 13 12.653 -0.440 6.378 107 HB3 LEU 13 HB3 LEU 13 14.131 -0.201 5.489 108 HG LEU 13 HG LEU 13 12.757 1.620 5.040 109 HD11 LEU 13 HD11 LEU 13 13.935 0.743 3.045 110 HD12 LEU 13 HD12 LEU 13 12.431 -0.077 2.568 111 HD13 LEU 13 HD13 LEU 13 12.493 1.690 2.660 112 HD21 LEU 13 HD21 LEU 13 10.533 1.690 4.252 113 HD22 LEU 13 HD22 LEU 13 10.432 -0.055 4.056 114 HD23 LEU 13 HD23 LEU 13 10.554 0.652 5.687 115 H LYS 14 H LYS 14 11.144 -2.364 6.538 116 HA LYS 14 HA LYS 14 9.012 -2.775 4.527 117 HB2 LYS 14 HB2 LYS 14 9.473 -4.516 6.991 118 HB3 LYS 14 HB3 LYS 14 8.154 -4.665 5.822 119 HG2 LYS 14 HG2 LYS 14 10.081 -4.909 4.041 120 HG3 LYS 14 HG3 LYS 14 11.092 -5.265 5.466 121 HD2 LYS 14 HD2 LYS 14 9.418 -7.045 6.083 122 HD3 LYS 14 HD3 LYS 14 8.592 -6.724 4.534 123 HE2 LYS 14 HE2 LYS 14 10.877 -7.117 3.418 124 HE3 LYS 14 HE3 LYS 14 11.446 -7.701 4.988 125 HZ1 LYS 14 HZ1 LYS 14 9.289 -8.839 3.333 126 HZ2 LYS 14 HZ2 LYS 14 10.756 -9.514 3.685 127 HZ3 LYS 14 HZ3 LYS 14 9.572 -9.328 4.860 128 H GLY 15 H GLY 15 6.775 -2.752 5.594 129 HA2 GLY 15 HA2 GLY 15 6.542 -1.325 8.100 130 HA3 GLY 15 HA3 GLY 15 6.163 -0.328 6.679 131 H GLU 16 H GLU 16 4.194 -0.914 8.601 132 HA GLU 16 HA GLU 16 2.234 -2.331 6.964 133 HB2 GLU 16 HB2 GLU 16 3.117 -4.082 8.528 134 HB3 GLU 16 HB3 GLU 16 2.638 -3.048 9.891 135 HG2 GLU 16 HG2 GLU 16 0.256 -3.057 8.855 136 HG3 GLU 16 HG3 GLU 16 0.842 -4.306 7.759 137 H THR 17 H THR 17 0.610 -0.840 6.801 138 HA THR 17 HA THR 17 -0.250 0.763 9.128 139 HB THR 17 HB THR 17 -0.369 2.757 7.509 140 HG1 THR 17 HG1 THR 17 1.374 2.714 5.987 141 HG21 THR 17 HG21 THR 17 1.234 2.623 9.416 142 HG22 THR 17 HG22 THR 17 2.425 1.863 8.332 143 HG23 THR 17 HG23 THR 17 1.872 3.527 8.034 144 H THR 18 H THR 18 -2.426 2.082 8.088 145 HA THR 18 HA THR 18 -3.805 0.514 6.135 146 HB THR 18 HB THR 18 -4.113 -1.033 7.946 147 HG1 THR 18 HG1 THR 18 -6.546 0.307 7.969 148 HG21 THR 18 HG21 THR 18 -3.729 0.382 9.928 149 HG22 THR 18 HG22 THR 18 -5.273 1.209 9.644 150 HG23 THR 18 HG23 THR 18 -5.240 -0.524 10.029 151 H THR 19 H THR 19 -5.498 1.709 5.269 152 HA THR 19 HA THR 19 -6.508 4.051 6.580 153 HB THR 19 HB THR 19 -4.926 4.394 4.004 154 HG1 THR 19 HG1 THR 19 -4.273 4.469 6.616 155 HG21 THR 19 HG21 THR 19 -5.311 6.826 4.405 156 HG22 THR 19 HG22 THR 19 -6.816 5.951 4.070 157 HG23 THR 19 HG23 THR 19 -6.414 6.410 5.740 158 H GLU 20 H GLU 20 -8.590 4.528 5.735 159 HA GLU 20 HA GLU 20 -9.601 2.464 3.872 160 HB2 GLU 20 HB2 GLU 20 -11.834 3.240 4.658 161 HB3 GLU 20 HB3 GLU 20 -10.805 2.520 5.908 162 HG2 GLU 20 HG2 GLU 20 -10.232 4.769 6.774 163 HG3 GLU 20 HG3 GLU 20 -11.195 5.526 5.488 164 H ALA 21 H ALA 21 -10.726 2.970 1.995 165 HA ALA 21 HA ALA 21 -10.980 5.712 1.116 166 HB1 ALA 21 HB1 ALA 21 -9.098 3.806 -0.355 167 HB2 ALA 21 HB2 ALA 21 -9.567 5.431 -0.891 168 HB3 ALA 21 HB3 ALA 21 -8.566 5.240 0.564 169 H VAL 22 H VAL 22 -12.383 5.856 -0.649 170 HA VAL 22 HA VAL 22 -14.286 3.811 -0.929 171 HB VAL 22 HB VAL 22 -14.684 6.223 -1.174 172 HG11 VAL 22 HG11 VAL 22 -14.197 7.433 -3.227 173 HG12 VAL 22 HG12 VAL 22 -12.682 6.857 -2.520 174 HG13 VAL 22 HG13 VAL 22 -13.387 6.026 -3.920 175 HG21 VAL 22 HG21 VAL 22 -16.346 6.130 -2.912 176 HG22 VAL 22 HG22 VAL 22 -15.556 4.728 -3.672 177 HG23 VAL 22 HG23 VAL 22 -16.306 4.569 -2.066 178 H ASP 23 H ASP 23 -11.230 4.303 -2.731 179 HA ASP 23 HA ASP 23 -11.849 1.837 -4.169 180 HB2 ASP 23 HB2 ASP 23 -12.430 4.289 -5.414 181 HB3 ASP 23 HB3 ASP 23 -10.765 3.979 -5.965 182 H ALA 24 H ALA 24 -10.009 0.926 -5.212 183 HA ALA 24 HA ALA 24 -7.655 1.081 -3.646 184 HB1 ALA 24 HB1 ALA 24 -8.107 -0.155 -6.379 185 HB2 ALA 24 HB2 ALA 24 -6.647 -0.386 -5.407 186 HB3 ALA 24 HB3 ALA 24 -8.203 -0.974 -4.815 187 H ALA 25 H ALA 25 -8.428 2.673 -6.769 188 HA ALA 25 HA ALA 25 -5.848 3.577 -7.418 189 HB1 ALA 25 HB1 ALA 25 -7.774 3.733 -8.944 190 HB2 ALA 25 HB2 ALA 25 -8.533 4.952 -7.893 191 HB3 ALA 25 HB3 ALA 25 -7.011 5.321 -8.732 192 H THR 26 H THR 26 -8.318 5.070 -5.281 193 HA THR 26 HA THR 26 -6.758 7.415 -4.694 194 HB THR 26 HB THR 26 -9.093 6.125 -3.203 195 HG1 THR 26 HG1 THR 26 -9.950 8.126 -4.562 196 HG21 THR 26 HG21 THR 26 -7.942 7.834 -1.828 197 HG22 THR 26 HG22 THR 26 -8.055 8.996 -3.157 198 HG23 THR 26 HG23 THR 26 -9.522 8.402 -2.358 199 H ALA 27 H ALA 27 -7.319 4.268 -3.001 200 HA ALA 27 HA ALA 27 -5.774 4.821 -0.736 201 HB1 ALA 27 HB1 ALA 27 -6.022 2.139 -2.184 202 HB2 ALA 27 HB2 ALA 27 -5.512 2.384 -0.506 203 HB3 ALA 27 HB3 ALA 27 -7.169 2.776 -0.991 204 H GLU 28 H GLU 28 -4.773 3.486 -3.890 205 HA GLU 28 HA GLU 28 -2.045 3.085 -3.449 206 HB2 GLU 28 HB2 GLU 28 -3.368 2.246 -5.376 207 HB3 GLU 28 HB3 GLU 28 -3.551 3.883 -5.976 208 HG2 GLU 28 HG2 GLU 28 -1.011 3.986 -6.153 209 HG3 GLU 28 HG3 GLU 28 -1.010 2.244 -5.853 210 H LYS 29 H LYS 29 -3.589 6.037 -4.966 211 HA LYS 29 HA LYS 29 -1.060 7.366 -5.049 212 HB2 LYS 29 HB2 LYS 29 -3.079 8.004 -6.406 213 HB3 LYS 29 HB3 LYS 29 -3.751 8.789 -4.961 214 HG2 LYS 29 HG2 LYS 29 -1.927 10.375 -4.877 215 HG3 LYS 29 HG3 LYS 29 -0.938 9.408 -5.976 216 HD2 LYS 29 HD2 LYS 29 -1.707 11.352 -7.137 217 HD3 LYS 29 HD3 LYS 29 -2.458 9.904 -7.835 218 HE2 LYS 29 HE2 LYS 29 -4.530 10.356 -6.554 219 HE3 LYS 29 HE3 LYS 29 -3.791 11.802 -5.836 220 HZ1 LYS 29 HZ1 LYS 29 -5.230 12.175 -7.823 221 HZ2 LYS 29 HZ2 LYS 29 -3.706 12.799 -8.003 222 HZ3 LYS 29 HZ3 LYS 29 -4.122 11.390 -8.732 223 H VAL 30 H VAL 30 -3.475 7.295 -2.420 224 HA VAL 30 HA VAL 30 -2.237 9.378 -0.873 225 HB VAL 30 HB VAL 30 -4.063 7.035 -0.232 226 HG11 VAL 30 HG11 VAL 30 -2.758 7.576 1.835 227 HG12 VAL 30 HG12 VAL 30 -3.291 9.264 1.686 228 HG13 VAL 30 HG13 VAL 30 -4.464 7.959 1.977 229 HG21 VAL 30 HG21 VAL 30 -5.778 8.769 -0.009 230 HG22 VAL 30 HG22 VAL 30 -4.573 10.049 -0.272 231 HG23 VAL 30 HG23 VAL 30 -5.002 8.945 -1.584 232 H PHE 31 H PHE 31 -2.007 5.765 -0.632 233 HA PHE 31 HA PHE 31 0.083 5.747 1.241 234 HB2 PHE 31 HB2 PHE 31 -0.830 3.746 -0.858 235 HB3 PHE 31 HB3 PHE 31 0.408 3.384 0.320 236 HD1 PHE 31 HD2 PHE 31 -0.662 4.611 2.848 237 HD2 PHE 31 HD1 PHE 31 -2.617 2.318 -0.247 238 HE1 PHE 31 HE2 PHE 31 -2.241 3.712 4.503 239 HE2 PHE 31 HE1 PHE 31 -4.191 1.414 1.434 240 HZ PHE 31 HZ PHE 31 -3.995 2.105 3.798 241 H LYS 32 H LYS 32 0.300 6.304 -2.206 242 HA LYS 32 HA LYS 32 2.941 5.468 -2.671 243 HB2 LYS 32 HB2 LYS 32 1.160 6.364 -4.293 244 HB3 LYS 32 HB3 LYS 32 1.700 7.981 -3.851 245 HG2 LYS 32 HG2 LYS 32 3.845 7.628 -4.758 246 HG3 LYS 32 HG3 LYS 32 3.679 5.871 -4.788 247 HD2 LYS 32 HD2 LYS 32 1.877 7.650 -6.473 248 HD3 LYS 32 HD3 LYS 32 3.470 7.095 -7.051 249 HE2 LYS 32 HE2 LYS 32 2.821 4.762 -6.718 250 HE3 LYS 32 HE3 LYS 32 1.253 5.254 -6.074 251 HZ1 LYS 32 HZ1 LYS 32 0.593 6.016 -8.155 252 HZ2 LYS 32 HZ2 LYS 32 2.101 5.868 -8.827 253 HZ3 LYS 32 HZ3 LYS 32 1.261 4.523 -8.370 254 H GLN 33 H GLN 33 1.757 8.289 -0.896 255 HA GLN 33 HA GLN 33 4.159 9.833 -0.910 256 HB2 GLN 33 HB2 GLN 33 1.926 9.639 1.176 257 HB3 GLN 33 HB3 GLN 33 3.200 10.859 1.136 258 HG2 GLN 33 HG2 GLN 33 2.391 11.556 -1.146 259 HG3 GLN 33 HG3 GLN 33 1.077 10.391 -1.004 260 HE21 GLN 33 HE22 GLN 33 2.541 12.932 1.190 261 HE22 GLN 33 HE21 GLN 33 1.035 13.802 1.362 262 H TYR 34 H TYR 34 2.870 7.684 1.715 263 HA TYR 34 HA TYR 34 5.191 7.732 3.270 264 HB2 TYR 34 HB2 TYR 34 3.130 7.017 4.205 265 HB3 TYR 34 HB3 TYR 34 2.923 5.738 3.044 266 HD1 TYR 34 HD2 TYR 34 5.873 6.659 5.246 267 HD2 TYR 34 HD1 TYR 34 2.889 3.694 4.261 268 HE1 TYR 34 HE2 TYR 34 6.904 5.097 6.817 269 HE2 TYR 34 HE1 TYR 34 3.883 2.148 5.924 270 HH TYR 34 HH TYR 34 5.455 2.034 7.847 271 H ALA 35 H ALA 35 4.492 5.673 0.450 272 HA ALA 35 HA ALA 35 6.617 3.804 0.979 273 HB1 ALA 35 HB1 ALA 35 6.325 3.164 -1.388 274 HB2 ALA 35 HB2 ALA 35 4.783 3.288 -0.553 275 HB3 ALA 35 HB3 ALA 35 5.300 4.593 -1.657 276 H ASN 36 H ASN 36 6.490 6.622 -1.334 277 HA ASN 36 HA ASN 36 9.290 6.375 -1.808 278 HB2 ASN 36 HB2 ASN 36 7.675 7.590 -3.336 279 HB3 ASN 36 HB3 ASN 36 7.696 8.939 -2.183 280 HD21 ASN 36 HD22 ASN 36 9.061 10.554 -3.265 281 HD22 ASN 36 HD21 ASN 36 10.610 10.103 -3.923 282 H ASP 37 H ASP 37 7.485 8.078 0.663 283 HA ASP 37 HA ASP 37 9.595 9.756 1.590 284 HB2 ASP 37 HB2 ASP 37 7.151 10.035 2.079 285 HB3 ASP 37 HB3 ASP 37 7.258 8.681 3.205 286 H ASN 38 H ASN 38 8.854 6.346 2.151 287 HA ASN 38 HA ASN 38 10.811 6.249 4.374 288 HB2 ASN 38 HB2 ASN 38 8.408 5.322 4.510 289 HB3 ASN 38 HB3 ASN 38 9.012 3.981 3.531 290 HD21 ASN 38 HD22 ASN 38 8.142 2.995 5.769 291 HD22 ASN 38 HD21 ASN 38 9.358 2.841 7.014 292 H GLY 39 H GLY 39 10.662 5.542 1.008 293 HA2 GLY 39 HA2 GLY 39 12.718 5.096 -0.150 294 HA3 GLY 39 HA3 GLY 39 13.302 4.150 1.202 295 H VAL 40 H VAL 40 10.020 3.767 -0.261 296 HA VAL 40 HA VAL 40 10.908 1.192 -1.427 297 HB VAL 40 HB VAL 40 8.342 1.707 0.126 298 HG11 VAL 40 HG11 VAL 40 9.403 -0.855 -1.129 299 HG12 VAL 40 HG12 VAL 40 7.987 -0.764 -0.102 300 HG13 VAL 40 HG13 VAL 40 7.975 0.055 -1.659 301 HG21 VAL 40 HG21 VAL 40 10.823 0.126 0.875 302 HG22 VAL 40 HG22 VAL 40 10.156 1.539 1.720 303 HG23 VAL 40 HG23 VAL 40 9.282 0.006 1.742 304 H ASP 41 H ASP 41 10.083 0.727 -3.411 305 HA ASP 41 HA ASP 41 7.724 1.806 -4.535 306 HB2 ASP 41 HB2 ASP 41 8.981 3.855 -4.911 307 HB3 ASP 41 HB3 ASP 41 10.283 2.938 -5.695 308 H GLY 42 H GLY 42 7.219 -0.234 -5.014 309 HA2 GLY 42 HA2 GLY 42 8.870 -1.797 -6.901 310 HA3 GLY 42 HA3 GLY 42 8.283 -2.538 -5.404 311 H GLU 43 H GLU 43 7.101 -3.981 -7.022 312 HA GLU 43 HA GLU 43 5.020 -2.792 -8.624 313 HB2 GLU 43 HB2 GLU 43 6.193 -4.972 -9.084 314 HB3 GLU 43 HB3 GLU 43 5.252 -5.696 -7.777 315 HG2 GLU 43 HG2 GLU 43 3.159 -5.195 -8.940 316 HG3 GLU 43 HG3 GLU 43 4.022 -4.231 -10.162 317 H TRP 44 H TRP 44 3.023 -2.169 -7.970 318 HA TRP 44 HA TRP 44 2.164 -2.634 -5.175 319 HB2 TRP 44 HB2 TRP 44 1.265 -0.704 -7.378 320 HB3 TRP 44 HB3 TRP 44 0.531 -0.812 -5.796 321 HD1 TRP 44 HD1 TRP 44 3.875 0.229 -7.396 322 HE1 TRP 44 HE1 TRP 44 4.967 2.030 -5.954 323 HE3 TRP 44 HE3 TRP 44 0.568 0.209 -3.533 324 HZ2 TRP 44 HZ2 TRP 44 4.477 3.281 -3.402 325 HZ3 TRP 44 HZ3 TRP 44 0.892 1.736 -1.564 326 HH2 TRP 44 HH2 TRP 44 2.817 3.265 -1.497 327 H THR 45 H THR 45 0.577 -4.217 -4.816 328 HA THR 45 HA THR 45 -1.540 -4.555 -6.874 329 HB THR 45 HB THR 45 -0.398 -6.983 -5.481 330 HG1 THR 45 HG1 THR 45 1.337 -6.244 -6.523 331 HG21 THR 45 HG21 THR 45 -2.564 -7.239 -6.663 332 HG22 THR 45 HG22 THR 45 -1.866 -6.538 -8.125 333 HG23 THR 45 HG23 THR 45 -1.291 -8.103 -7.543 334 H TYR 46 H TYR 46 -3.614 -5.156 -5.985 335 HA TYR 46 HA TYR 46 -3.772 -5.059 -3.027 336 HB2 TYR 46 HB2 TYR 46 -5.611 -3.692 -3.011 337 HB3 TYR 46 HB3 TYR 46 -4.528 -2.941 -4.163 338 HD1 TYR 46 HD2 TYR 46 -7.721 -4.807 -3.743 339 HD2 TYR 46 HD1 TYR 46 -5.113 -2.776 -6.534 340 HE1 TYR 46 HE2 TYR 46 -9.497 -4.893 -5.474 341 HE2 TYR 46 HE1 TYR 46 -6.873 -2.904 -8.264 342 HH TYR 46 HH TYR 46 -8.965 -4.464 -8.711 343 H ASP 47 H ASP 47 -5.448 -6.127 -2.037 344 HA ASP 47 HA ASP 47 -6.821 -8.305 -3.478 345 HB2 ASP 47 HB2 ASP 47 -4.794 -9.298 -2.524 346 HB3 ASP 47 HB3 ASP 47 -5.133 -8.570 -0.955 347 H ASP 48 H ASP 48 -8.799 -7.240 -3.248 348 HA ASP 48 HA ASP 48 -9.517 -5.811 -0.831 349 HB2 ASP 48 HB2 ASP 48 -11.135 -4.982 -2.077 350 HB3 ASP 48 HB3 ASP 48 -10.564 -5.943 -3.437 351 H ALA 49 H ALA 49 -9.618 -9.205 -1.723 352 HA ALA 49 HA ALA 49 -11.725 -10.069 -0.044 353 HB1 ALA 49 HB1 ALA 49 -9.183 -11.548 -0.814 354 HB2 ALA 49 HB2 ALA 49 -10.687 -12.260 -0.181 355 HB3 ALA 49 HB3 ALA 49 -10.680 -11.456 -1.762 356 H THR 50 H THR 50 -8.168 -10.066 0.660 357 HA THR 50 HA THR 50 -8.668 -10.361 3.536 358 HB THR 50 HB THR 50 -5.973 -9.903 2.205 359 HG1 THR 50 HG1 THR 50 -6.681 -11.423 0.987 360 HG21 THR 50 HG21 THR 50 -5.913 -10.060 4.647 361 HG22 THR 50 HG22 THR 50 -6.875 -11.552 4.615 362 HG23 THR 50 HG23 THR 50 -5.223 -11.526 3.951 363 H LYS 51 H LYS 51 -8.640 -7.788 1.360 364 HA LYS 51 HA LYS 51 -8.630 -5.551 1.509 365 HB2 LYS 51 HB2 LYS 51 -8.995 -6.059 4.492 366 HB3 LYS 51 HB3 LYS 51 -9.090 -4.469 3.742 367 HG2 LYS 51 HG2 LYS 51 -10.961 -5.121 2.361 368 HG3 LYS 51 HG3 LYS 51 -10.768 -6.820 2.838 369 HD2 LYS 51 HD2 LYS 51 -11.411 -6.354 5.118 370 HD3 LYS 51 HD3 LYS 51 -11.529 -4.616 4.780 371 HE2 LYS 51 HE2 LYS 51 -13.709 -6.022 4.826 372 HE3 LYS 51 HE3 LYS 51 -13.497 -4.857 3.509 373 HZ1 LYS 51 HZ1 LYS 51 -14.279 -7.190 2.904 374 HZ2 LYS 51 HZ2 LYS 51 -13.126 -6.482 2.006 375 HZ3 LYS 51 HZ3 LYS 51 -12.707 -7.651 3.079 376 H THR 52 H THR 52 -6.249 -6.800 1.098 377 HA THR 52 HA THR 52 -4.305 -5.111 2.594 378 HB THR 52 HB THR 52 -2.666 -6.963 1.964 379 HG1 THR 52 HG1 THR 52 -4.131 -8.059 0.497 380 HG21 THR 52 HG21 THR 52 -4.926 -7.674 3.891 381 HG22 THR 52 HG22 THR 52 -3.299 -8.383 3.869 382 HG23 THR 52 HG23 THR 52 -3.509 -6.673 4.268 383 H PHE 53 H PHE 53 -2.525 -4.296 1.436 384 HA PHE 53 HA PHE 53 -2.605 -4.214 -1.489 385 HB2 PHE 53 HB2 PHE 53 -3.601 -2.124 0.011 386 HB3 PHE 53 HB3 PHE 53 -1.903 -1.699 -0.024 387 HD1 PHE 53 HD2 PHE 53 -1.069 -2.492 -2.798 388 HD2 PHE 53 HD1 PHE 53 -4.704 -0.616 -1.393 389 HE1 PHE 53 HE2 PHE 53 -1.458 -1.527 -5.043 390 HE2 PHE 53 HE1 PHE 53 -5.033 0.392 -3.627 391 HZ PHE 53 HZ PHE 53 -3.422 -0.077 -5.466 392 H THR 54 H THR 54 -0.485 -4.745 -2.129 393 HA THR 54 HA THR 54 1.613 -4.546 -0.057 394 HB THR 54 HB THR 54 1.475 -6.818 -2.036 395 HG1 THR 54 HG1 THR 54 0.626 -7.976 -0.132 396 HG21 THR 54 HG21 THR 54 2.773 -6.407 0.703 397 HG22 THR 54 HG22 THR 54 2.785 -7.931 -0.193 398 HG23 THR 54 HG23 THR 54 3.602 -6.512 -0.863 399 H VAL 55 H VAL 55 3.601 -3.904 -0.669 400 HA VAL 55 HA VAL 55 4.010 -3.060 -3.496 401 HB VAL 55 HB VAL 55 5.405 -1.781 -1.100 402 HG11 VAL 55 HG11 VAL 55 6.440 -1.490 -3.313 403 HG12 VAL 55 HG12 VAL 55 4.897 -0.900 -3.985 404 HG13 VAL 55 HG13 VAL 55 5.757 0.050 -2.749 405 HG21 VAL 55 HG21 VAL 55 2.775 -0.979 -2.347 406 HG22 VAL 55 HG22 VAL 55 3.118 -1.349 -0.649 407 HG23 VAL 55 HG23 VAL 55 3.786 0.122 -1.368 408 H THR 56 H THR 56 5.349 -4.615 -4.322 409 HA THR 56 HA THR 56 7.273 -5.955 -2.474 410 HB THR 56 HB THR 56 5.996 -7.040 -5.001 411 HG1 THR 56 HG1 THR 56 4.523 -7.895 -3.862 412 HG21 THR 56 HG21 THR 56 7.560 -8.410 -2.763 413 HG22 THR 56 HG22 THR 56 6.746 -9.232 -4.112 414 HG23 THR 56 HG23 THR 56 8.112 -8.165 -4.442 415 H GLU 57 H GLU 57 9.244 -5.094 -2.735 416 HA GLU 57 HA GLU 57 10.180 -4.183 -5.412 417 HB2 GLU 57 HB2 GLU 57 11.385 -3.997 -2.622 418 HB3 GLU 57 HB3 GLU 57 12.212 -3.472 -4.101 419 HG2 GLU 57 HG2 GLU 57 10.383 -1.912 -4.585 420 HG3 GLU 57 HG3 GLU 57 9.609 -2.298 -3.045 Start of MODEL 7 1 H1 MET 1 H MET 1 -15.294 0.330 -1.485 2 HA MET 1 HA MET 1 -14.241 2.231 -0.368 3 HB2 MET 1 HB2 MET 1 -16.230 3.642 -0.277 4 HB3 MET 1 HB3 MET 1 -17.006 2.554 0.883 5 HG2 MET 1 HG2 MET 1 -15.553 3.156 2.628 6 HG3 MET 1 HG3 MET 1 -14.298 3.716 1.534 7 HE1 MET 1 HE1 MET 1 -13.800 5.751 3.027 8 HE2 MET 1 HE2 MET 1 -15.008 6.968 3.498 9 HE3 MET 1 HE3 MET 1 -15.104 5.332 4.165 10 H GLY 2 H GLY 2 -12.880 1.461 1.202 11 HA2 GLY 2 HA2 GLY 2 -13.876 -0.181 3.363 12 HA3 GLY 2 HA3 GLY 2 -12.916 -1.072 2.174 13 H THR 3 H THR 3 -12.001 -0.971 4.685 14 HA THR 3 HA THR 3 -9.965 1.116 4.956 15 HB THR 3 HB THR 3 -10.916 -1.057 6.862 16 HG1 THR 3 HG1 THR 3 -12.124 0.714 7.779 17 HG21 THR 3 HG21 THR 3 -9.894 0.310 8.603 18 HG22 THR 3 HG22 THR 3 -8.671 -0.031 7.366 19 HG23 THR 3 HG23 THR 3 -9.441 1.555 7.422 20 H TYR 4 H TYR 4 -8.051 0.664 3.890 21 HA TYR 4 HA TYR 4 -7.447 -2.149 3.272 22 HB2 TYR 4 HB2 TYR 4 -6.256 0.507 2.375 23 HB3 TYR 4 HB3 TYR 4 -5.630 -1.052 1.892 24 HD1 TYR 4 HD1 TYR 4 -6.823 -2.547 0.368 25 HD2 TYR 4 HD2 TYR 4 -8.412 1.333 1.395 26 HE1 TYR 4 HE1 TYR 4 -8.336 -2.680 -1.550 27 HE2 TYR 4 HE2 TYR 4 -9.963 1.203 -0.541 28 HH TYR 4 HH TYR 4 -10.121 -1.702 -2.638 29 H LYS 5 H LYS 5 -5.212 -2.826 3.374 30 HA LYS 5 HA LYS 5 -3.657 -1.940 5.772 31 HB2 LYS 5 HB2 LYS 5 -4.144 -4.748 4.697 32 HB3 LYS 5 HB3 LYS 5 -2.911 -4.349 5.895 33 HG2 LYS 5 HG2 LYS 5 -4.617 -3.719 7.519 34 HG3 LYS 5 HG3 LYS 5 -5.896 -3.956 6.299 35 HD2 LYS 5 HD2 LYS 5 -5.306 -6.317 6.091 36 HD3 LYS 5 HD3 LYS 5 -4.002 -6.143 7.282 37 HE2 LYS 5 HE2 LYS 5 -5.466 -5.934 9.076 38 HE3 LYS 5 HE3 LYS 5 -6.755 -5.234 8.074 39 HZ1 LYS 5 HZ1 LYS 5 -7.304 -7.461 8.739 40 HZ2 LYS 5 HZ2 LYS 5 -7.209 -7.308 7.139 41 HZ3 LYS 5 HZ3 LYS 5 -5.971 -8.076 7.919 42 H LEU 6 H LEU 6 -1.940 -0.894 4.934 43 HA LEU 6 HA LEU 6 -0.892 -1.554 2.284 44 HB2 LEU 6 HB2 LEU 6 -1.214 0.784 3.218 45 HB3 LEU 6 HB3 LEU 6 0.020 0.451 4.409 46 HG LEU 6 HG LEU 6 0.941 1.795 2.670 47 HD11 LEU 6 HD11 LEU 6 2.859 0.661 1.983 48 HD12 LEU 6 HD12 LEU 6 2.408 -0.128 3.510 49 HD13 LEU 6 HD13 LEU 6 2.074 -0.909 1.941 50 HD21 LEU 6 HD21 LEU 6 -0.638 1.274 0.868 51 HD22 LEU 6 HD22 LEU 6 1.026 1.077 0.305 52 HD23 LEU 6 HD23 LEU 6 0.051 -0.346 0.725 53 H ILE 7 H ILE 7 0.645 -3.176 2.116 54 HA ILE 7 HA ILE 7 2.401 -3.735 4.483 55 HB ILE 7 HB ILE 7 1.427 -5.652 2.319 56 HG12 ILE 7 HG12 ILE 7 0.877 -7.082 4.332 57 HG13 ILE 7 HG13 ILE 7 1.242 -5.714 5.377 58 HG21 ILE 7 HG21 ILE 7 3.597 -6.047 4.446 59 HG22 ILE 7 HG22 ILE 7 2.948 -7.315 3.385 60 HG23 ILE 7 HG23 ILE 7 3.861 -5.987 2.693 61 HD11 ILE 7 HD11 ILE 7 -0.678 -4.513 4.569 62 HD12 ILE 7 HD12 ILE 7 -0.925 -5.674 3.233 63 HD13 ILE 7 HD13 ILE 7 -1.196 -6.155 4.923 64 H LEU 8 H LEU 8 4.047 -2.383 4.096 65 HA LEU 8 HA LEU 8 4.954 -1.821 1.347 66 HB2 LEU 8 HB2 LEU 8 4.777 -0.138 3.403 67 HB3 LEU 8 HB3 LEU 8 6.246 -0.918 3.945 68 HG LEU 8 HG LEU 8 7.211 -0.371 1.629 69 HD11 LEU 8 HD11 LEU 8 4.906 1.634 1.599 70 HD12 LEU 8 HD12 LEU 8 6.190 1.469 0.393 71 HD13 LEU 8 HD13 LEU 8 4.986 0.201 0.551 72 HD21 LEU 8 HD21 LEU 8 7.896 0.804 3.651 73 HD22 LEU 8 HD22 LEU 8 7.732 1.975 2.334 74 HD23 LEU 8 HD23 LEU 8 6.460 1.864 3.567 75 H ASN 9 H ASN 9 6.232 -3.431 0.436 76 HA ASN 9 HA ASN 9 8.037 -5.008 2.197 77 HB2 ASN 9 HB2 ASN 9 6.162 -6.340 1.497 78 HB3 ASN 9 HB3 ASN 9 6.337 -5.813 -0.183 79 HD21 ASN 9 HD22 ASN 9 6.823 -7.777 -1.195 80 HD22 ASN 9 HD21 ASN 9 8.249 -8.701 -0.788 81 H GLY 10 H GLY 10 9.664 -3.368 1.853 82 HA2 GLY 10 HA2 GLY 10 10.541 -2.785 -0.862 83 HA3 GLY 10 HA3 GLY 10 11.195 -2.163 0.656 84 H LYS 11 H LYS 11 12.984 -2.708 -1.051 85 HA LYS 11 HA LYS 11 13.987 -5.464 -0.904 86 HB2 LYS 11 HB2 LYS 11 15.633 -4.748 -2.482 87 HB3 LYS 11 HB3 LYS 11 14.097 -4.031 -2.958 88 HG2 LYS 11 HG2 LYS 11 15.063 -1.973 -1.466 89 HG3 LYS 11 HG3 LYS 11 16.603 -2.727 -1.893 90 HD2 LYS 11 HD2 LYS 11 16.014 -2.532 -4.294 91 HD3 LYS 11 HD3 LYS 11 14.439 -1.893 -3.844 92 HE2 LYS 11 HE2 LYS 11 15.639 -0.021 -2.622 93 HE3 LYS 11 HE3 LYS 11 17.135 -0.563 -3.412 94 HZ1 LYS 11 HZ1 LYS 11 16.008 -0.166 -5.550 95 HZ2 LYS 11 HZ2 LYS 11 14.655 0.305 -4.771 96 HZ3 LYS 11 HZ3 LYS 11 16.003 1.223 -4.633 97 H THR 12 H THR 12 14.232 -2.748 1.089 98 HA THR 12 HA THR 12 16.619 -3.907 2.442 99 HB THR 12 HB THR 12 16.315 -0.917 2.365 100 HG1 THR 12 HG1 THR 12 17.101 -0.633 0.473 101 HG21 THR 12 HG21 THR 12 18.758 -2.737 2.274 102 HG22 THR 12 HG22 THR 12 18.781 -0.965 2.419 103 HG23 THR 12 HG23 THR 12 18.104 -1.947 3.728 104 H LEU 13 H LEU 13 13.454 -2.373 2.715 105 HA LEU 13 HA LEU 13 13.444 -2.818 5.563 106 HB2 LEU 13 HB2 LEU 13 12.829 -0.619 6.217 107 HB3 LEU 13 HB3 LEU 13 14.324 -0.497 5.335 108 HG LEU 13 HG LEU 13 13.044 1.360 4.785 109 HD11 LEU 13 HD11 LEU 13 12.685 -0.418 2.359 110 HD12 LEU 13 HD12 LEU 13 12.779 1.346 2.400 111 HD13 LEU 13 HD13 LEU 13 14.199 0.393 2.839 112 HD21 LEU 13 HD21 LEU 13 10.818 1.506 4.042 113 HD22 LEU 13 HD22 LEU 13 10.645 -0.228 3.841 114 HD23 LEU 13 HD23 LEU 13 10.807 0.472 5.472 115 H LYS 14 H LYS 14 11.165 -2.347 6.400 116 HA LYS 14 HA LYS 14 9.048 -2.651 4.363 117 HB2 LYS 14 HB2 LYS 14 9.411 -4.513 6.756 118 HB3 LYS 14 HB3 LYS 14 8.021 -4.470 5.669 119 HG2 LYS 14 HG2 LYS 14 9.629 -4.931 3.740 120 HG3 LYS 14 HG3 LYS 14 10.869 -5.261 4.956 121 HD2 LYS 14 HD2 LYS 14 9.335 -6.985 5.966 122 HD3 LYS 14 HD3 LYS 14 8.197 -6.670 4.630 123 HE2 LYS 14 HE2 LYS 14 10.255 -7.094 3.091 124 HE3 LYS 14 HE3 LYS 14 11.011 -7.835 4.509 125 HZ1 LYS 14 HZ1 LYS 14 9.083 -9.360 4.582 126 HZ2 LYS 14 HZ2 LYS 14 8.423 -8.587 3.303 127 HZ3 LYS 14 HZ3 LYS 14 9.829 -9.402 3.079 128 H GLY 15 H GLY 15 6.838 -2.458 5.464 129 HA2 GLY 15 HA2 GLY 15 6.719 -1.077 8.001 130 HA3 GLY 15 HA3 GLY 15 6.463 -0.008 6.615 131 H GLU 16 H GLU 16 4.398 -0.563 8.507 132 HA GLU 16 HA GLU 16 2.407 -1.766 6.701 133 HB2 GLU 16 HB2 GLU 16 3.246 -3.673 8.094 134 HB3 GLU 16 HB3 GLU 16 2.743 -2.788 9.536 135 HG2 GLU 16 HG2 GLU 16 0.373 -2.745 8.501 136 HG3 GLU 16 HG3 GLU 16 0.986 -3.876 7.294 137 H THR 17 H THR 17 0.762 -0.280 6.613 138 HA THR 17 HA THR 17 -0.074 1.139 9.073 139 HB THR 17 HB THR 17 -0.220 3.205 7.511 140 HG1 THR 17 HG1 THR 17 1.546 3.161 5.968 141 HG21 THR 17 HG21 THR 17 2.035 3.930 8.057 142 HG22 THR 17 HG22 THR 17 1.398 2.977 9.408 143 HG23 THR 17 HG23 THR 17 2.576 2.259 8.297 144 H THR 18 H THR 18 -2.330 2.148 8.742 145 HA THR 18 HA THR 18 -3.846 0.673 6.620 146 HB THR 18 HB THR 18 -5.635 0.420 8.382 147 HG1 THR 18 HG1 THR 18 -4.054 0.346 10.500 148 HG21 THR 18 HG21 THR 18 -3.019 -1.010 9.052 149 HG22 THR 18 HG22 THR 18 -4.659 -1.542 9.469 150 HG23 THR 18 HG23 THR 18 -4.153 -1.477 7.776 151 H THR 19 H THR 19 -5.418 1.880 5.577 152 HA THR 19 HA THR 19 -6.352 4.375 6.604 153 HB THR 19 HB THR 19 -4.745 4.488 4.024 154 HG1 THR 19 HG1 THR 19 -3.944 4.632 6.543 155 HG21 THR 19 HG21 THR 19 -5.100 6.887 4.133 156 HG22 THR 19 HG22 THR 19 -6.691 6.103 4.219 157 HG23 THR 19 HG23 THR 19 -5.940 6.739 5.685 158 H GLU 20 H GLU 20 -8.441 4.779 5.711 159 HA GLU 20 HA GLU 20 -9.392 2.693 3.830 160 HB2 GLU 20 HB2 GLU 20 -11.603 3.176 4.662 161 HB3 GLU 20 HB3 GLU 20 -10.500 2.934 6.012 162 HG2 GLU 20 HG2 GLU 20 -10.311 5.559 6.012 163 HG3 GLU 20 HG3 GLU 20 -11.818 5.463 5.082 164 H ALA 21 H ALA 21 -10.853 3.286 2.077 165 HA ALA 21 HA ALA 21 -10.934 6.035 1.187 166 HB1 ALA 21 HB1 ALA 21 -9.679 5.667 -0.909 167 HB2 ALA 21 HB2 ALA 21 -8.608 5.355 0.459 168 HB3 ALA 21 HB3 ALA 21 -9.315 3.995 -0.431 169 H VAL 22 H VAL 22 -12.066 6.198 -0.942 170 HA VAL 22 HA VAL 22 -14.348 4.540 -0.997 171 HB VAL 22 HB VAL 22 -14.323 6.850 -1.814 172 HG11 VAL 22 HG11 VAL 22 -13.490 7.446 -4.025 173 HG12 VAL 22 HG12 VAL 22 -12.142 6.864 -3.031 174 HG13 VAL 22 HG13 VAL 22 -12.860 5.832 -4.293 175 HG21 VAL 22 HG21 VAL 22 -15.763 6.513 -3.782 176 HG22 VAL 22 HG22 VAL 22 -15.202 4.843 -3.937 177 HG23 VAL 22 HG23 VAL 22 -16.136 5.344 -2.507 178 H ASP 23 H ASP 23 -11.278 4.447 -2.939 179 HA ASP 23 HA ASP 23 -11.792 1.646 -3.545 180 HB2 ASP 23 HB2 ASP 23 -12.111 3.857 -5.517 181 HB3 ASP 23 HB3 ASP 23 -10.974 2.614 -6.032 182 H ALA 24 H ALA 24 -10.016 0.682 -4.652 183 HA ALA 24 HA ALA 24 -7.642 0.807 -3.270 184 HB1 ALA 24 HB1 ALA 24 -8.327 -0.291 -6.025 185 HB2 ALA 24 HB2 ALA 24 -6.774 -0.590 -5.229 186 HB3 ALA 24 HB3 ALA 24 -8.274 -1.162 -4.481 187 H ALA 25 H ALA 25 -8.281 2.313 -6.499 188 HA ALA 25 HA ALA 25 -5.736 3.286 -7.017 189 HB1 ALA 25 HB1 ALA 25 -7.580 3.397 -8.623 190 HB2 ALA 25 HB2 ALA 25 -8.437 4.565 -7.583 191 HB3 ALA 25 HB3 ALA 25 -6.914 5.027 -8.369 192 H THR 26 H THR 26 -8.245 4.797 -4.894 193 HA THR 26 HA THR 26 -6.664 7.183 -4.497 194 HB THR 26 HB THR 26 -9.037 6.058 -2.958 195 HG1 THR 26 HG1 THR 26 -10.066 7.770 -4.291 196 HG21 THR 26 HG21 THR 26 -7.822 8.862 -2.998 197 HG22 THR 26 HG22 THR 26 -9.365 8.422 -2.234 198 HG23 THR 26 HG23 THR 26 -7.847 7.757 -1.611 199 H ALA 27 H ALA 27 -7.084 4.088 -2.675 200 HA ALA 27 HA ALA 27 -5.499 4.851 -0.442 201 HB1 ALA 27 HB1 ALA 27 -5.855 2.069 -1.659 202 HB2 ALA 27 HB2 ALA 27 -5.263 2.432 -0.029 203 HB3 ALA 27 HB3 ALA 27 -6.936 2.829 -0.471 204 H GLU 28 H GLU 28 -4.594 3.165 -3.451 205 HA GLU 28 HA GLU 28 -1.858 2.769 -3.158 206 HB2 GLU 28 HB2 GLU 28 -3.281 1.891 -4.958 207 HB3 GLU 28 HB3 GLU 28 -3.612 3.507 -5.534 208 HG2 GLU 28 HG2 GLU 28 -1.115 3.693 -6.089 209 HG3 GLU 28 HG3 GLU 28 -1.045 1.941 -5.830 210 H LYS 29 H LYS 29 -3.549 5.631 -4.376 211 HA LYS 29 HA LYS 29 -1.235 7.185 -5.029 212 HB2 LYS 29 HB2 LYS 29 -3.560 7.222 -5.918 213 HB3 LYS 29 HB3 LYS 29 -4.107 8.039 -4.454 214 HG2 LYS 29 HG2 LYS 29 -2.647 9.960 -4.993 215 HG3 LYS 29 HG3 LYS 29 -2.047 9.114 -6.438 216 HD2 LYS 29 HD2 LYS 29 -4.966 9.832 -5.895 217 HD3 LYS 29 HD3 LYS 29 -3.868 10.745 -6.944 218 HE2 LYS 29 HE2 LYS 29 -3.639 8.846 -8.465 219 HE3 LYS 29 HE3 LYS 29 -4.561 7.795 -7.394 220 HZ1 LYS 29 HZ1 LYS 29 -5.679 10.167 -8.687 221 HZ2 LYS 29 HZ2 LYS 29 -5.847 8.605 -9.210 222 HZ3 LYS 29 HZ3 LYS 29 -6.503 9.048 -7.766 223 H VAL 30 H VAL 30 -3.483 7.268 -2.203 224 HA VAL 30 HA VAL 30 -2.196 9.458 -0.894 225 HB VAL 30 HB VAL 30 -4.007 7.193 0.049 226 HG11 VAL 30 HG11 VAL 30 -4.382 8.514 2.129 227 HG12 VAL 30 HG12 VAL 30 -2.737 7.886 2.027 228 HG13 VAL 30 HG13 VAL 30 -3.050 9.593 1.662 229 HG21 VAL 30 HG21 VAL 30 -4.970 8.981 -1.481 230 HG22 VAL 30 HG22 VAL 30 -5.726 8.917 0.116 231 HG23 VAL 30 HG23 VAL 30 -4.544 10.186 -0.256 232 H PHE 31 H PHE 31 -1.882 5.865 -0.400 233 HA PHE 31 HA PHE 31 0.233 6.116 1.461 234 HB2 PHE 31 HB2 PHE 31 -0.761 3.866 -0.296 235 HB3 PHE 31 HB3 PHE 31 0.678 3.670 0.689 236 HD1 PHE 31 HD2 PHE 31 0.410 4.606 3.226 237 HD2 PHE 31 HD1 PHE 31 -2.750 3.059 0.724 238 HE1 PHE 31 HE2 PHE 31 -0.819 3.865 5.230 239 HE2 PHE 31 HE1 PHE 31 -3.975 2.306 2.756 240 HZ PHE 31 HZ PHE 31 -2.931 2.626 5.001 241 H LYS 32 H LYS 32 0.409 6.559 -2.007 242 HA LYS 32 HA LYS 32 3.064 5.680 -2.463 243 HB2 LYS 32 HB2 LYS 32 1.321 6.515 -4.149 244 HB3 LYS 32 HB3 LYS 32 1.778 8.144 -3.682 245 HG2 LYS 32 HG2 LYS 32 4.096 7.741 -4.434 246 HG3 LYS 32 HG3 LYS 32 3.683 6.058 -4.830 247 HD2 LYS 32 HD2 LYS 32 2.006 6.861 -6.478 248 HD3 LYS 32 HD3 LYS 32 2.401 8.537 -6.060 249 HE2 LYS 32 HE2 LYS 32 4.772 8.107 -6.796 250 HE3 LYS 32 HE3 LYS 32 4.282 6.482 -7.300 251 HZ1 LYS 32 HZ1 LYS 32 3.337 9.049 -8.420 252 HZ2 LYS 32 HZ2 LYS 32 4.197 7.923 -9.190 253 HZ3 LYS 32 HZ3 LYS 32 2.639 7.597 -8.785 254 H GLN 33 H GLN 33 1.791 8.551 -0.857 255 HA GLN 33 HA GLN 33 4.086 10.211 -0.801 256 HB2 GLN 33 HB2 GLN 33 1.889 9.793 1.309 257 HB3 GLN 33 HB3 GLN 33 3.011 11.151 1.267 258 HG2 GLN 33 HG2 GLN 33 2.108 11.817 -0.916 259 HG3 GLN 33 HG3 GLN 33 0.923 10.514 -0.867 260 HE21 GLN 33 HE22 GLN 33 -0.124 12.916 -1.275 261 HE22 GLN 33 HE21 GLN 33 -0.630 13.770 0.179 262 H TYR 34 H TYR 34 2.871 7.963 1.683 263 HA TYR 34 HA TYR 34 5.152 7.924 3.326 264 HB2 TYR 34 HB2 TYR 34 3.245 7.287 4.367 265 HB3 TYR 34 HB3 TYR 34 2.606 6.397 3.000 266 HD1 TYR 34 HD2 TYR 34 5.143 6.178 5.765 267 HD2 TYR 34 HD1 TYR 34 2.748 4.059 2.864 268 HE1 TYR 34 HE2 TYR 34 5.641 4.042 6.918 269 HE2 TYR 34 HE1 TYR 34 3.212 1.936 4.036 270 HH TYR 34 HH TYR 34 3.937 1.065 6.151 271 H ALA 35 H ALA 35 4.299 5.777 0.567 272 HA ALA 35 HA ALA 35 6.290 3.835 1.092 273 HB1 ALA 35 HB1 ALA 35 6.043 3.247 -1.308 274 HB2 ALA 35 HB2 ALA 35 4.476 3.472 -0.509 275 HB3 ALA 35 HB3 ALA 35 5.128 4.744 -1.576 276 H ASN 36 H ASN 36 6.525 6.669 -1.197 277 HA ASN 36 HA ASN 36 9.324 6.139 -1.615 278 HB2 ASN 36 HB2 ASN 36 7.957 7.464 -3.227 279 HB3 ASN 36 HB3 ASN 36 7.890 8.785 -2.045 280 HD21 ASN 36 HD22 ASN 36 9.201 10.297 -3.135 281 HD22 ASN 36 HD21 ASN 36 10.908 10.050 -3.474 282 H ASP 37 H ASP 37 7.572 8.172 0.700 283 HA ASP 37 HA ASP 37 9.840 9.572 1.751 284 HB2 ASP 37 HB2 ASP 37 7.490 10.294 1.899 285 HB3 ASP 37 HB3 ASP 37 7.163 8.960 3.017 286 H ASN 38 H ASN 38 9.041 6.299 1.940 287 HA ASN 38 HA ASN 38 10.627 5.928 4.409 288 HB2 ASN 38 HB2 ASN 38 8.166 5.250 4.523 289 HB3 ASN 38 HB3 ASN 38 8.579 3.964 3.381 290 HD21 ASN 38 HD22 ASN 38 8.016 2.388 5.057 291 HD22 ASN 38 HD21 ASN 38 9.160 2.048 6.346 292 H GLY 39 H GLY 39 10.875 5.785 1.105 293 HA2 GLY 39 HA2 GLY 39 12.728 5.081 -0.072 294 HA3 GLY 39 HA3 GLY 39 13.239 4.075 1.265 295 H VAL 40 H VAL 40 9.931 3.708 -0.151 296 HA VAL 40 HA VAL 40 10.919 1.235 -1.475 297 HB VAL 40 HB VAL 40 8.376 1.498 0.130 298 HG11 VAL 40 HG11 VAL 40 8.319 -1.045 -0.210 299 HG12 VAL 40 HG12 VAL 40 8.009 -0.089 -1.656 300 HG13 VAL 40 HG13 VAL 40 9.600 -0.826 -1.411 301 HG21 VAL 40 HG21 VAL 40 10.995 0.108 0.770 302 HG22 VAL 40 HG22 VAL 40 10.216 1.405 1.688 303 HG23 VAL 40 HG23 VAL 40 9.495 -0.208 1.643 304 H ASP 41 H ASP 41 10.064 0.692 -3.387 305 HA ASP 41 HA ASP 41 7.771 2.073 -4.547 306 HB2 ASP 41 HB2 ASP 41 9.868 3.546 -4.887 307 HB3 ASP 41 HB3 ASP 41 10.478 2.297 -5.950 308 H GLY 42 H GLY 42 6.814 0.041 -4.852 309 HA2 GLY 42 HA2 GLY 42 8.248 -1.877 -6.601 310 HA3 GLY 42 HA3 GLY 42 7.547 -2.405 -5.061 311 H GLU 43 H GLU 43 6.453 -3.831 -6.735 312 HA GLU 43 HA GLU 43 4.399 -2.636 -8.367 313 HB2 GLU 43 HB2 GLU 43 5.715 -4.737 -8.832 314 HB3 GLU 43 HB3 GLU 43 4.729 -5.570 -7.609 315 HG2 GLU 43 HG2 GLU 43 2.693 -5.109 -8.892 316 HG3 GLU 43 HG3 GLU 43 3.578 -4.031 -10.000 317 H TRP 44 H TRP 44 2.648 -1.785 -7.554 318 HA TRP 44 HA TRP 44 1.552 -2.366 -4.928 319 HB2 TRP 44 HB2 TRP 44 0.645 -0.547 -7.213 320 HB3 TRP 44 HB3 TRP 44 -0.087 -0.602 -5.620 321 HD1 TRP 44 HD1 TRP 44 3.327 0.306 -7.219 322 HE1 TRP 44 HE1 TRP 44 4.467 2.082 -5.827 323 HE3 TRP 44 HE3 TRP 44 -0.198 0.788 -3.559 324 HZ2 TRP 44 HZ2 TRP 44 4.027 3.409 -3.301 325 HZ3 TRP 44 HZ3 TRP 44 0.186 2.323 -1.655 326 HH2 TRP 44 HH2 TRP 44 2.311 3.610 -1.485 327 H THR 45 H THR 45 0.611 -4.435 -4.887 328 HA THR 45 HA THR 45 -1.636 -4.927 -6.804 329 HB THR 45 HB THR 45 0.418 -6.869 -5.684 330 HG1 THR 45 HG1 THR 45 1.220 -6.801 -7.639 331 HG21 THR 45 HG21 THR 45 -0.738 -8.554 -7.088 332 HG22 THR 45 HG22 THR 45 -1.819 -7.942 -5.817 333 HG23 THR 45 HG23 THR 45 -2.007 -7.377 -7.477 334 H TYR 46 H TYR 46 -3.593 -5.473 -5.915 335 HA TYR 46 HA TYR 46 -3.719 -5.760 -2.975 336 HB2 TYR 46 HB2 TYR 46 -5.682 -4.468 -2.916 337 HB3 TYR 46 HB3 TYR 46 -4.440 -3.582 -3.741 338 HD1 TYR 46 HD1 TYR 46 -4.544 -3.196 -6.230 339 HD2 TYR 46 HD2 TYR 46 -7.772 -4.985 -3.985 340 HE1 TYR 46 HE1 TYR 46 -6.107 -2.611 -8.037 341 HE2 TYR 46 HE2 TYR 46 -9.349 -4.383 -5.775 342 HH TYR 46 HH TYR 46 -8.322 -2.879 -8.863 343 H ASP 47 H ASP 47 -5.334 -6.861 -2.002 344 HA ASP 47 HA ASP 47 -6.675 -9.052 -3.528 345 HB2 ASP 47 HB2 ASP 47 -4.715 -9.877 -2.277 346 HB3 ASP 47 HB3 ASP 47 -5.327 -9.145 -0.800 347 H ASP 48 H ASP 48 -8.808 -8.224 -3.521 348 HA ASP 48 HA ASP 48 -9.740 -6.435 -1.463 349 HB2 ASP 48 HB2 ASP 48 -11.783 -6.380 -2.563 350 HB3 ASP 48 HB3 ASP 48 -10.635 -6.643 -3.879 351 H ALA 49 H ALA 49 -9.771 -9.967 -1.764 352 HA ALA 49 HA ALA 49 -11.925 -10.447 0.034 353 HB1 ALA 49 HB1 ALA 49 -9.499 -12.180 -0.613 354 HB2 ALA 49 HB2 ALA 49 -10.993 -12.734 0.174 355 HB3 ALA 49 HB3 ALA 49 -11.034 -12.154 -1.500 356 H THR 50 H THR 50 -8.482 -9.869 0.546 357 HA THR 50 HA THR 50 -8.785 -10.078 3.490 358 HB THR 50 HB THR 50 -6.218 -9.885 1.898 359 HG1 THR 50 HG1 THR 50 -7.125 -11.499 0.954 360 HG21 THR 50 HG21 THR 50 -5.898 -9.720 4.311 361 HG22 THR 50 HG22 THR 50 -6.921 -11.138 4.587 362 HG23 THR 50 HG23 THR 50 -5.342 -11.305 3.771 363 H LYS 51 H LYS 51 -8.846 -7.705 1.069 364 HA LYS 51 HA LYS 51 -8.574 -5.490 0.976 365 HB2 LYS 51 HB2 LYS 51 -9.422 -5.782 3.832 366 HB3 LYS 51 HB3 LYS 51 -8.996 -4.196 3.168 367 HG2 LYS 51 HG2 LYS 51 -10.624 -4.532 1.321 368 HG3 LYS 51 HG3 LYS 51 -11.150 -6.046 2.069 369 HD2 LYS 51 HD2 LYS 51 -11.133 -3.384 3.553 370 HD3 LYS 51 HD3 LYS 51 -12.517 -3.902 2.608 371 HE2 LYS 51 HE2 LYS 51 -11.337 -5.760 4.699 372 HE3 LYS 51 HE3 LYS 51 -12.326 -4.399 5.211 373 HZ1 LYS 51 HZ1 LYS 51 -13.699 -6.278 4.929 374 HZ2 LYS 51 HZ2 LYS 51 -14.077 -5.215 3.740 375 HZ3 LYS 51 HZ3 LYS 51 -13.136 -6.581 3.428 376 H THR 52 H THR 52 -6.144 -7.077 1.200 377 HA THR 52 HA THR 52 -4.287 -5.247 2.588 378 HB THR 52 HB THR 52 -2.701 -7.205 1.836 379 HG1 THR 52 HG1 THR 52 -3.720 -9.113 1.439 380 HG21 THR 52 HG21 THR 52 -3.282 -6.842 4.190 381 HG22 THR 52 HG22 THR 52 -4.860 -7.617 3.958 382 HG23 THR 52 HG23 THR 52 -3.366 -8.570 3.822 383 H PHE 53 H PHE 53 -2.498 -4.391 1.418 384 HA PHE 53 HA PHE 53 -2.625 -4.441 -1.523 385 HB2 PHE 53 HB2 PHE 53 -3.920 -2.473 -0.195 386 HB3 PHE 53 HB3 PHE 53 -2.317 -1.788 -0.134 387 HD1 PHE 53 HD2 PHE 53 -1.488 -2.913 -3.047 388 HD2 PHE 53 HD1 PHE 53 -4.907 -0.784 -1.463 389 HE1 PHE 53 HE2 PHE 53 -1.945 -1.956 -5.279 390 HE2 PHE 53 HE1 PHE 53 -5.286 0.209 -3.678 391 HZ PHE 53 HZ PHE 53 -3.824 -0.375 -5.604 392 H THR 54 H THR 54 -0.683 -5.447 -1.730 393 HA THR 54 HA THR 54 1.558 -4.710 0.000 394 HB THR 54 HB THR 54 1.287 -7.024 -1.938 395 HG1 THR 54 HG1 THR 54 0.485 -8.158 -0.264 396 HG21 THR 54 HG21 THR 54 3.078 -6.588 0.510 397 HG22 THR 54 HG22 THR 54 3.019 -8.055 -0.492 398 HG23 THR 54 HG23 THR 54 3.612 -6.535 -1.177 399 H VAL 55 H VAL 55 3.453 -3.878 -0.719 400 HA VAL 55 HA VAL 55 3.671 -3.016 -3.572 401 HB VAL 55 HB VAL 55 4.755 -1.556 -1.108 402 HG11 VAL 55 HG11 VAL 55 6.076 -1.224 -3.156 403 HG12 VAL 55 HG12 VAL 55 4.607 -0.757 -4.048 404 HG13 VAL 55 HG13 VAL 55 5.216 0.260 -2.721 405 HG21 VAL 55 HG21 VAL 55 2.313 -0.957 -2.777 406 HG22 VAL 55 HG22 VAL 55 2.393 -1.291 -1.015 407 HG23 VAL 55 HG23 VAL 55 3.073 0.206 -1.660 408 H THR 56 H THR 56 4.958 -4.782 -4.233 409 HA THR 56 HA THR 56 7.224 -5.606 -2.490 410 HB THR 56 HB THR 56 5.872 -7.037 -4.800 411 HG1 THR 56 HG1 THR 56 4.551 -7.068 -3.178 412 HG21 THR 56 HG21 THR 56 8.218 -7.796 -3.029 413 HG22 THR 56 HG22 THR 56 7.149 -9.023 -3.746 414 HG23 THR 56 HG23 THR 56 8.059 -7.906 -4.777 415 H GLU 57 H GLU 57 9.060 -4.572 -2.926 416 HA GLU 57 HA GLU 57 9.613 -3.566 -5.645 417 HB2 GLU 57 HB2 GLU 57 9.824 -2.052 -3.723 418 HB3 GLU 57 HB3 GLU 57 11.038 -3.115 -2.993 419 HG2 GLU 57 HG2 GLU 57 12.600 -2.706 -4.766 420 HG3 GLU 57 HG3 GLU 57 11.399 -1.924 -5.763 Start of MODEL 8 1 H1 MET 1 H MET 1 -16.645 0.941 -1.093 2 HA MET 1 HA MET 1 -14.746 1.678 0.228 3 HB2 MET 1 HB2 MET 1 -17.018 2.770 0.622 4 HB3 MET 1 HB3 MET 1 -17.245 1.646 1.969 5 HG2 MET 1 HG2 MET 1 -14.860 2.634 2.715 6 HG3 MET 1 HG3 MET 1 -15.358 3.981 1.700 7 HE1 MET 1 HE1 MET 1 -18.735 5.017 3.598 8 HE2 MET 1 HE2 MET 1 -17.706 5.347 2.184 9 HE3 MET 1 HE3 MET 1 -18.631 3.828 2.289 10 H GLY 2 H GLY 2 -13.156 0.997 1.719 11 HA2 GLY 2 HA2 GLY 2 -13.882 -0.826 3.846 12 HA3 GLY 2 HA3 GLY 2 -12.935 -1.593 2.553 13 H THR 3 H THR 3 -11.848 -1.609 4.920 14 HA THR 3 HA THR 3 -9.981 0.661 5.296 15 HB THR 3 HB THR 3 -10.700 -1.862 6.852 16 HG1 THR 3 HG1 THR 3 -12.079 -0.007 6.964 17 HG21 THR 3 HG21 THR 3 -8.358 -1.634 7.280 18 HG22 THR 3 HG22 THR 3 -8.469 0.119 7.428 19 HG23 THR 3 HG23 THR 3 -9.191 -0.934 8.671 20 H TYR 4 H TYR 4 -8.196 0.603 4.036 21 HA TYR 4 HA TYR 4 -7.223 -1.965 2.966 22 HB2 TYR 4 HB2 TYR 4 -6.478 0.951 2.405 23 HB3 TYR 4 HB3 TYR 4 -5.717 -0.437 1.650 24 HD1 TYR 4 HD2 TYR 4 -8.841 1.570 1.803 25 HD2 TYR 4 HD1 TYR 4 -6.807 -1.738 -0.065 26 HE1 TYR 4 HE2 TYR 4 -10.543 1.554 0.004 27 HE2 TYR 4 HE1 TYR 4 -8.473 -1.744 -1.890 28 HH TYR 4 HH TYR 4 -11.346 0.373 -1.981 29 H LYS 5 H LYS 5 -5.051 -2.590 3.318 30 HA LYS 5 HA LYS 5 -3.585 -1.253 5.552 31 HB2 LYS 5 HB2 LYS 5 -3.814 -4.259 5.053 32 HB3 LYS 5 HB3 LYS 5 -2.923 -3.442 6.352 33 HG2 LYS 5 HG2 LYS 5 -5.141 -2.465 7.139 34 HG3 LYS 5 HG3 LYS 5 -5.948 -3.470 5.933 35 HD2 LYS 5 HD2 LYS 5 -5.094 -5.496 6.949 36 HD3 LYS 5 HD3 LYS 5 -4.168 -4.566 8.149 37 HE2 LYS 5 HE2 LYS 5 -6.053 -3.846 9.301 38 HE3 LYS 5 HE3 LYS 5 -7.099 -3.950 7.870 39 HZ1 LYS 5 HZ1 LYS 5 -7.559 -5.688 9.490 40 HZ2 LYS 5 HZ2 LYS 5 -7.111 -6.282 8.019 41 HZ3 LYS 5 HZ3 LYS 5 -6.033 -6.305 9.257 42 H LEU 6 H LEU 6 -1.942 -0.302 4.488 43 HA LEU 6 HA LEU 6 -0.831 -1.621 2.101 44 HB2 LEU 6 HB2 LEU 6 -1.704 0.665 1.905 45 HB3 LEU 6 HB3 LEU 6 -0.467 1.240 3.017 46 HG LEU 6 HG LEU 6 -0.084 1.605 0.554 47 HD11 LEU 6 HD11 LEU 6 2.268 1.201 0.553 48 HD12 LEU 6 HD12 LEU 6 1.787 1.648 2.196 49 HD13 LEU 6 HD13 LEU 6 2.124 -0.050 1.795 50 HD21 LEU 6 HD21 LEU 6 0.586 -0.099 -0.933 51 HD22 LEU 6 HD22 LEU 6 0.598 -1.336 0.340 52 HD23 LEU 6 HD23 LEU 6 -0.942 -0.610 -0.193 53 H ILE 7 H ILE 7 0.810 -2.877 2.462 54 HA ILE 7 HA ILE 7 2.664 -2.362 4.724 55 HB ILE 7 HB ILE 7 1.910 -4.902 3.226 56 HG12 ILE 7 HG12 ILE 7 1.448 -5.809 5.494 57 HG13 ILE 7 HG13 ILE 7 1.808 -4.244 6.201 58 HG21 ILE 7 HG21 ILE 7 4.381 -4.937 3.632 59 HG22 ILE 7 HG22 ILE 7 4.092 -4.611 5.350 60 HG23 ILE 7 HG23 ILE 7 3.536 -6.128 4.611 61 HD11 ILE 7 HD11 ILE 7 -0.467 -4.735 4.230 62 HD12 ILE 7 HD12 ILE 7 -0.636 -4.862 5.994 63 HD13 ILE 7 HD13 ILE 7 -0.225 -3.306 5.280 64 H LEU 8 H LEU 8 4.790 -2.203 4.292 65 HA LEU 8 HA LEU 8 5.690 -1.678 1.480 66 HB2 LEU 8 HB2 LEU 8 6.372 -0.645 4.230 67 HB3 LEU 8 HB3 LEU 8 7.697 -0.817 3.110 68 HG LEU 8 HG LEU 8 6.723 0.801 1.586 69 HD11 LEU 8 HD11 LEU 8 4.345 0.774 3.468 70 HD12 LEU 8 HD12 LEU 8 4.625 2.020 2.220 71 HD13 LEU 8 HD13 LEU 8 4.389 0.331 1.746 72 HD21 LEU 8 HD21 LEU 8 8.067 1.659 3.444 73 HD22 LEU 8 HD22 LEU 8 6.740 2.787 3.118 74 HD23 LEU 8 HD23 LEU 8 6.638 1.687 4.501 75 H ASN 9 H ASN 9 6.988 -3.352 0.627 76 HA ASN 9 HA ASN 9 8.469 -5.066 2.565 77 HB2 ASN 9 HB2 ASN 9 6.531 -6.269 1.658 78 HB3 ASN 9 HB3 ASN 9 7.071 -5.942 0.012 79 HD21 ASN 9 HD22 ASN 9 9.314 -6.755 -0.557 80 HD22 ASN 9 HD21 ASN 9 9.701 -8.362 0.025 81 H GLY 10 H GLY 10 10.375 -3.742 2.372 82 HA2 GLY 10 HA2 GLY 10 11.516 -3.606 -0.359 83 HA3 GLY 10 HA3 GLY 10 11.748 -2.390 0.889 84 H LYS 11 H LYS 11 13.700 -3.996 -0.566 85 HA LYS 11 HA LYS 11 14.959 -6.000 0.917 86 HB2 LYS 11 HB2 LYS 11 16.873 -5.669 -0.485 87 HB3 LYS 11 HB3 LYS 11 15.444 -5.466 -1.468 88 HG2 LYS 11 HG2 LYS 11 16.884 -3.024 -0.313 89 HG3 LYS 11 HG3 LYS 11 17.483 -3.845 -1.737 90 HD2 LYS 11 HD2 LYS 11 15.317 -3.546 -2.849 91 HD3 LYS 11 HD3 LYS 11 14.721 -2.667 -1.430 92 HE2 LYS 11 HE2 LYS 11 16.361 -0.880 -1.825 93 HE3 LYS 11 HE3 LYS 11 16.997 -1.786 -3.220 94 HZ1 LYS 11 HZ1 LYS 11 14.656 -1.688 -4.114 95 HZ2 LYS 11 HZ2 LYS 11 14.294 -0.602 -2.951 96 HZ3 LYS 11 HZ3 LYS 11 15.419 -0.244 -4.086 97 H THR 12 H THR 12 14.535 -3.150 2.304 98 HA THR 12 HA THR 12 16.997 -3.343 3.938 99 HB THR 12 HB THR 12 15.940 -0.762 2.692 100 HG1 THR 12 HG1 THR 12 17.493 -0.868 1.314 101 HG21 THR 12 HG21 THR 12 18.079 0.216 3.550 102 HG22 THR 12 HG22 THR 12 16.984 -0.279 4.845 103 HG23 THR 12 HG23 THR 12 18.380 -1.308 4.423 104 H LEU 13 H LEU 13 13.603 -2.106 3.546 105 HA LEU 13 HA LEU 13 13.265 -2.320 6.427 106 HB2 LEU 13 HB2 LEU 13 12.479 -0.097 6.719 107 HB3 LEU 13 HB3 LEU 13 14.041 0.015 5.966 108 HG LEU 13 HG LEU 13 12.782 1.686 5.011 109 HD11 LEU 13 HD11 LEU 13 12.538 -0.450 2.871 110 HD12 LEU 13 HD12 LEU 13 12.622 1.299 2.656 111 HD13 LEU 13 HD13 LEU 13 14.027 0.451 3.289 112 HD21 LEU 13 HD21 LEU 13 10.603 1.680 4.165 113 HD22 LEU 13 HD22 LEU 13 10.439 -0.071 4.244 114 HD23 LEU 13 HD23 LEU 13 10.530 0.892 5.743 115 H LYS 14 H LYS 14 11.013 -2.064 7.034 116 HA LYS 14 HA LYS 14 9.043 -2.542 4.895 117 HB2 LYS 14 HB2 LYS 14 9.357 -4.309 7.359 118 HB3 LYS 14 HB3 LYS 14 7.973 -4.327 6.251 119 HG2 LYS 14 HG2 LYS 14 9.633 -4.715 4.348 120 HG3 LYS 14 HG3 LYS 14 10.855 -4.988 5.568 121 HD2 LYS 14 HD2 LYS 14 9.362 -6.837 6.499 122 HD3 LYS 14 HD3 LYS 14 8.337 -6.604 5.057 123 HE2 LYS 14 HE2 LYS 14 10.646 -6.793 3.761 124 HE3 LYS 14 HE3 LYS 14 11.235 -7.523 5.260 125 HZ1 LYS 14 HZ1 LYS 14 10.515 -9.182 3.765 126 HZ2 LYS 14 HZ2 LYS 14 9.376 -9.179 4.977 127 HZ3 LYS 14 HZ3 LYS 14 9.059 -8.506 3.513 128 H GLY 15 H GLY 15 6.723 -2.308 5.852 129 HA2 GLY 15 HA2 GLY 15 6.485 -0.569 8.163 130 HA3 GLY 15 HA3 GLY 15 6.286 0.252 6.613 131 H GLU 16 H GLU 16 4.113 0.000 8.445 132 HA GLU 16 HA GLU 16 2.196 -1.495 6.783 133 HB2 GLU 16 HB2 GLU 16 3.026 -3.156 8.426 134 HB3 GLU 16 HB3 GLU 16 2.674 -2.040 9.738 135 HG2 GLU 16 HG2 GLU 16 0.244 -2.120 9.053 136 HG3 GLU 16 HG3 GLU 16 0.650 -3.310 7.858 137 H THR 17 H THR 17 0.582 0.006 6.441 138 HA THR 17 HA THR 17 -0.260 1.776 8.694 139 HB THR 17 HB THR 17 -0.560 3.560 6.912 140 HG1 THR 17 HG1 THR 17 0.964 1.670 5.464 141 HG21 THR 17 HG21 THR 17 1.778 4.295 6.923 142 HG22 THR 17 HG22 THR 17 1.308 3.671 8.513 143 HG23 THR 17 HG23 THR 17 2.311 2.682 7.439 144 H THR 18 H THR 18 -2.546 2.594 8.404 145 HA THR 18 HA THR 18 -4.096 0.884 6.516 146 HB THR 18 HB THR 18 -5.761 0.480 8.254 147 HG1 THR 18 HG1 THR 18 -5.758 1.625 9.938 148 HG21 THR 18 HG21 THR 18 -3.093 -0.311 9.453 149 HG22 THR 18 HG22 THR 18 -4.633 -1.189 9.510 150 HG23 THR 18 HG23 THR 18 -3.715 -1.068 7.989 151 H THR 19 H THR 19 -5.806 1.915 5.481 152 HA THR 19 HA THR 19 -6.782 4.460 6.460 153 HB THR 19 HB THR 19 -5.490 4.393 3.712 154 HG1 THR 19 HG1 THR 19 -4.473 4.799 6.199 155 HG21 THR 19 HG21 THR 19 -5.737 6.877 3.895 156 HG22 THR 19 HG22 THR 19 -7.305 6.056 3.896 157 HG23 THR 19 HG23 THR 19 -6.616 6.664 5.421 158 H GLU 20 H GLU 20 -8.943 4.811 5.773 159 HA GLU 20 HA GLU 20 -10.059 2.606 4.147 160 HB2 GLU 20 HB2 GLU 20 -12.222 3.240 5.202 161 HB3 GLU 20 HB3 GLU 20 -11.006 2.609 6.321 162 HG2 GLU 20 HG2 GLU 20 -10.482 4.897 7.101 163 HG3 GLU 20 HG3 GLU 20 -11.625 5.578 5.924 164 H ALA 21 H ALA 21 -11.302 3.023 2.341 165 HA ALA 21 HA ALA 21 -11.997 5.750 1.607 166 HB1 ALA 21 HB1 ALA 21 -9.972 4.179 -0.073 167 HB2 ALA 21 HB2 ALA 21 -10.686 5.744 -0.499 168 HB3 ALA 21 HB3 ALA 21 -9.600 5.627 0.890 169 H VAL 22 H VAL 22 -13.148 5.809 -0.454 170 HA VAL 22 HA VAL 22 -15.012 3.606 -0.738 171 HB VAL 22 HB VAL 22 -15.603 6.037 -0.818 172 HG11 VAL 22 HG11 VAL 22 -15.222 7.373 -2.787 173 HG12 VAL 22 HG12 VAL 22 -13.643 6.752 -2.278 174 HG13 VAL 22 HG13 VAL 22 -14.481 6.027 -3.655 175 HG21 VAL 22 HG21 VAL 22 -16.425 4.605 -3.372 176 HG22 VAL 22 HG22 VAL 22 -17.103 4.266 -1.770 177 HG23 VAL 22 HG23 VAL 22 -17.303 5.871 -2.499 178 H ASP 23 H ASP 23 -12.002 4.538 -2.361 179 HA ASP 23 HA ASP 23 -12.367 2.309 -4.225 180 HB2 ASP 23 HB2 ASP 23 -12.689 5.087 -5.010 181 HB3 ASP 23 HB3 ASP 23 -11.142 4.535 -5.646 182 H ALA 24 H ALA 24 -10.431 1.339 -4.702 183 HA ALA 24 HA ALA 24 -8.263 1.593 -2.925 184 HB1 ALA 24 HB1 ALA 24 -7.128 0.019 -4.470 185 HB2 ALA 24 HB2 ALA 24 -8.801 -0.484 -4.149 186 HB3 ALA 24 HB3 ALA 24 -8.386 0.310 -5.683 187 H ALA 25 H ALA 25 -8.822 3.115 -6.075 188 HA ALA 25 HA ALA 25 -6.191 3.981 -6.664 189 HB1 ALA 25 HB1 ALA 25 -8.103 4.153 -8.232 190 HB2 ALA 25 HB2 ALA 25 -8.862 5.372 -7.195 191 HB3 ALA 25 HB3 ALA 25 -7.317 5.725 -8.016 192 H THR 26 H THR 26 -8.759 5.575 -4.684 193 HA THR 26 HA THR 26 -7.243 7.889 -4.043 194 HB THR 26 HB THR 26 -9.614 6.600 -2.616 195 HG1 THR 26 HG1 THR 26 -10.842 7.686 -4.162 196 HG21 THR 26 HG21 THR 26 -8.651 8.477 -1.327 197 HG22 THR 26 HG22 THR 26 -8.674 9.510 -2.773 198 HG23 THR 26 HG23 THR 26 -10.194 8.956 -2.040 199 H ALA 27 H ALA 27 -7.420 4.629 -2.644 200 HA ALA 27 HA ALA 27 -6.138 5.297 -0.154 201 HB1 ALA 27 HB1 ALA 27 -6.222 2.588 -1.548 202 HB2 ALA 27 HB2 ALA 27 -5.902 2.923 0.159 203 HB3 ALA 27 HB3 ALA 27 -7.510 3.241 -0.508 204 H GLU 28 H GLU 28 -5.018 3.791 -3.192 205 HA GLU 28 HA GLU 28 -2.293 3.589 -2.710 206 HB2 GLU 28 HB2 GLU 28 -3.642 2.592 -4.598 207 HB3 GLU 28 HB3 GLU 28 -3.686 4.186 -5.350 208 HG2 GLU 28 HG2 GLU 28 -0.964 3.895 -4.949 209 HG3 GLU 28 HG3 GLU 28 -1.461 2.211 -5.102 210 H LYS 29 H LYS 29 -3.970 6.343 -4.373 211 HA LYS 29 HA LYS 29 -1.689 7.862 -4.903 212 HB2 LYS 29 HB2 LYS 29 -4.553 8.662 -4.284 213 HB3 LYS 29 HB3 LYS 29 -3.304 9.883 -4.555 214 HG2 LYS 29 HG2 LYS 29 -2.773 8.885 -6.757 215 HG3 LYS 29 HG3 LYS 29 -4.042 7.679 -6.527 216 HD2 LYS 29 HD2 LYS 29 -4.816 9.461 -7.980 217 HD3 LYS 29 HD3 LYS 29 -5.733 9.498 -6.467 218 HE2 LYS 29 HE2 LYS 29 -4.387 11.372 -5.639 219 HE3 LYS 29 HE3 LYS 29 -3.296 11.259 -7.039 220 HZ1 LYS 29 HZ1 LYS 29 -5.022 11.986 -8.446 221 HZ2 LYS 29 HZ2 LYS 29 -6.167 11.889 -7.254 222 HZ3 LYS 29 HZ3 LYS 29 -5.001 13.027 -7.151 223 H VAL 30 H VAL 30 -3.404 7.687 -1.751 224 HA VAL 30 HA VAL 30 -1.783 9.841 -0.647 225 HB VAL 30 HB VAL 30 -3.650 7.813 0.586 226 HG11 VAL 30 HG11 VAL 30 -3.600 9.217 2.632 227 HG12 VAL 30 HG12 VAL 30 -2.028 8.482 2.320 228 HG13 VAL 30 HG13 VAL 30 -2.289 10.192 1.927 229 HG21 VAL 30 HG21 VAL 30 -5.140 9.780 0.808 230 HG22 VAL 30 HG22 VAL 30 -3.931 10.797 0.014 231 HG23 VAL 30 HG23 VAL 30 -4.736 9.490 -0.877 232 H PHE 31 H PHE 31 -1.799 6.232 -0.228 233 HA PHE 31 HA PHE 31 0.502 6.114 1.368 234 HB2 PHE 31 HB2 PHE 31 -0.545 4.093 -0.637 235 HB3 PHE 31 HB3 PHE 31 0.668 3.767 0.583 236 HD1 PHE 31 HD2 PHE 31 -0.182 4.638 3.114 237 HD2 PHE 31 HD1 PHE 31 -2.571 3.060 -0.114 238 HE1 PHE 31 HE2 PHE 31 -1.829 3.770 4.740 239 HE2 PHE 31 HE1 PHE 31 -4.206 2.188 1.527 240 HZ PHE 31 HZ PHE 31 -3.829 2.526 3.958 241 H LYS 32 H LYS 32 0.395 6.614 -2.123 242 HA LYS 32 HA LYS 32 2.856 5.575 -2.878 243 HB2 LYS 32 HB2 LYS 32 1.122 6.526 -4.389 244 HB3 LYS 32 HB3 LYS 32 1.626 8.161 -3.924 245 HG2 LYS 32 HG2 LYS 32 3.896 7.727 -4.785 246 HG3 LYS 32 HG3 LYS 32 3.453 6.048 -5.114 247 HD2 LYS 32 HD2 LYS 32 1.766 6.845 -6.782 248 HD3 LYS 32 HD3 LYS 32 2.345 8.506 -6.488 249 HE2 LYS 32 HE2 LYS 32 4.701 7.607 -6.994 250 HE3 LYS 32 HE3 LYS 32 3.926 6.130 -7.573 251 HZ1 LYS 32 HZ1 LYS 32 3.509 8.848 -8.651 252 HZ2 LYS 32 HZ2 LYS 32 4.398 7.687 -9.351 253 HZ3 LYS 32 HZ3 LYS 32 2.748 7.520 -9.205 254 H GLN 33 H GLN 33 2.295 8.782 -1.376 255 HA GLN 33 HA GLN 33 4.942 9.791 -1.533 256 HB2 GLN 33 HB2 GLN 33 2.515 10.292 0.160 257 HB3 GLN 33 HB3 GLN 33 4.040 10.830 0.830 258 HG2 GLN 33 HG2 GLN 33 4.409 12.457 -0.742 259 HG3 GLN 33 HG3 GLN 33 3.423 11.695 -1.971 260 HE21 GLN 33 HE22 GLN 33 3.438 14.111 0.495 261 HE22 GLN 33 HE21 GLN 33 1.713 14.392 0.555 262 H TYR 34 H TYR 34 3.321 8.158 1.215 263 HA TYR 34 HA TYR 34 5.481 7.919 2.934 264 HB2 TYR 34 HB2 TYR 34 3.352 7.489 3.786 265 HB3 TYR 34 HB3 TYR 34 2.926 6.385 2.486 266 HD1 TYR 34 HD2 TYR 34 5.685 6.469 5.112 267 HD2 TYR 34 HD1 TYR 34 2.536 4.231 3.145 268 HE1 TYR 34 HE2 TYR 34 6.137 4.532 6.583 269 HE2 TYR 34 HE1 TYR 34 3.006 2.305 4.612 270 HH TYR 34 HH TYR 34 4.836 2.355 7.439 271 H ALA 35 H ALA 35 4.429 5.428 0.508 272 HA ALA 35 HA ALA 35 6.498 3.604 1.103 273 HB1 ALA 35 HB1 ALA 35 6.061 2.675 -1.156 274 HB2 ALA 35 HB2 ALA 35 4.565 2.984 -0.251 275 HB3 ALA 35 HB3 ALA 35 5.071 4.098 -1.541 276 H ASN 36 H ASN 36 6.456 6.072 -1.500 277 HA ASN 36 HA ASN 36 9.051 5.623 -2.470 278 HB2 ASN 36 HB2 ASN 36 7.176 7.022 -3.470 279 HB3 ASN 36 HB3 ASN 36 7.598 8.317 -2.363 280 HD21 ASN 36 HD22 ASN 36 10.666 7.666 -2.759 281 HD22 ASN 36 HD21 ASN 36 10.957 8.332 -4.348 282 H ASP 37 H ASP 37 7.944 8.001 -0.053 283 HA ASP 37 HA ASP 37 10.417 9.279 0.409 284 HB2 ASP 37 HB2 ASP 37 8.173 10.146 1.040 285 HB3 ASP 37 HB3 ASP 37 8.076 8.924 2.307 286 H ASN 38 H ASN 38 8.921 6.433 1.950 287 HA ASN 38 HA ASN 38 10.981 6.202 3.955 288 HB2 ASN 38 HB2 ASN 38 8.500 5.498 4.061 289 HB3 ASN 38 HB3 ASN 38 9.005 4.051 3.184 290 HD21 ASN 38 HD22 ASN 38 8.056 3.113 5.270 291 HD22 ASN 38 HD21 ASN 38 9.112 2.963 6.658 292 H GLY 39 H GLY 39 11.254 5.646 0.700 293 HA2 GLY 39 HA2 GLY 39 13.116 4.734 -0.369 294 HA3 GLY 39 HA3 GLY 39 13.572 3.885 1.096 295 H VAL 40 H VAL 40 10.278 3.559 -0.343 296 HA VAL 40 HA VAL 40 11.023 0.813 -1.205 297 HB VAL 40 HB VAL 40 8.469 1.731 0.176 298 HG11 VAL 40 HG11 VAL 40 7.986 -0.151 -1.363 299 HG12 VAL 40 HG12 VAL 40 9.320 -1.080 -0.645 300 HG13 VAL 40 HG13 VAL 40 7.899 -0.677 0.310 301 HG21 VAL 40 HG21 VAL 40 9.312 0.172 1.998 302 HG22 VAL 40 HG22 VAL 40 10.848 0.070 1.128 303 HG23 VAL 40 HG23 VAL 40 10.287 1.622 1.787 304 H ASP 41 H ASP 41 9.834 -0.049 -2.936 305 HA ASP 41 HA ASP 41 8.103 1.478 -4.590 306 HB2 ASP 41 HB2 ASP 41 10.676 2.208 -5.074 307 HB3 ASP 41 HB3 ASP 41 10.640 0.739 -6.039 308 H GLY 42 H GLY 42 7.667 -0.032 -6.642 309 HA2 GLY 42 HA2 GLY 42 8.459 -2.538 -7.113 310 HA3 GLY 42 HA3 GLY 42 7.525 -2.788 -5.622 311 H GLU 43 H GLU 43 6.205 -4.148 -7.074 312 HA GLU 43 HA GLU 43 4.537 -2.717 -9.024 313 HB2 GLU 43 HB2 GLU 43 5.516 -5.123 -9.270 314 HB3 GLU 43 HB3 GLU 43 4.258 -5.625 -8.138 315 HG2 GLU 43 HG2 GLU 43 3.590 -5.966 -10.498 316 HG3 GLU 43 HG3 GLU 43 2.525 -4.794 -9.700 317 H TRP 44 H TRP 44 2.364 -2.210 -8.674 318 HA TRP 44 HA TRP 44 1.472 -2.449 -5.845 319 HB2 TRP 44 HB2 TRP 44 0.736 -0.462 -7.985 320 HB3 TRP 44 HB3 TRP 44 -0.070 -0.593 -6.426 321 HD1 TRP 44 HD1 TRP 44 3.580 -0.136 -7.698 322 HE1 TRP 44 HE1 TRP 44 4.871 1.310 -6.108 323 HE3 TRP 44 HE3 TRP 44 -0.097 0.696 -4.220 324 HZ2 TRP 44 HZ2 TRP 44 4.390 2.737 -3.613 325 HZ3 TRP 44 HZ3 TRP 44 0.325 2.199 -2.295 326 HH2 TRP 44 HH2 TRP 44 2.573 3.220 -1.974 327 H THR 45 H THR 45 0.594 -4.304 -5.720 328 HA THR 45 HA THR 45 -1.728 -5.077 -7.412 329 HB THR 45 HB THR 45 0.030 -6.920 -5.749 330 HG1 THR 45 HG1 THR 45 1.285 -7.236 -7.513 331 HG21 THR 45 HG21 THR 45 -1.713 -7.413 -8.208 332 HG22 THR 45 HG22 THR 45 -0.802 -8.637 -7.309 333 HG23 THR 45 HG23 THR 45 -2.169 -7.812 -6.538 334 H TYR 46 H TYR 46 -3.633 -5.213 -6.363 335 HA TYR 46 HA TYR 46 -3.694 -4.976 -3.399 336 HB2 TYR 46 HB2 TYR 46 -5.580 -3.591 -3.570 337 HB3 TYR 46 HB3 TYR 46 -4.466 -2.978 -4.796 338 HD1 TYR 46 HD1 TYR 46 -4.823 -3.610 -7.236 339 HD2 TYR 46 HD2 TYR 46 -7.769 -4.394 -4.180 340 HE1 TYR 46 HE1 TYR 46 -6.485 -4.109 -8.981 341 HE2 TYR 46 HE2 TYR 46 -9.460 -4.865 -5.942 342 HH TYR 46 HH TYR 46 -8.952 -5.697 -8.862 343 H ASP 47 H ASP 47 -5.273 -6.190 -2.298 344 HA ASP 47 HA ASP 47 -6.844 -8.141 -3.891 345 HB2 ASP 47 HB2 ASP 47 -4.900 -8.723 -1.663 346 HB3 ASP 47 HB3 ASP 47 -6.373 -9.679 -1.801 347 H ASP 48 H ASP 48 -8.765 -7.143 -3.575 348 HA ASP 48 HA ASP 48 -9.412 -5.974 -0.969 349 HB2 ASP 48 HB2 ASP 48 -11.057 -4.900 -1.960 350 HB3 ASP 48 HB3 ASP 48 -10.194 -5.281 -3.442 351 H ALA 49 H ALA 49 -9.786 -9.100 -2.508 352 HA ALA 49 HA ALA 49 -11.955 -10.083 -0.908 353 HB1 ALA 49 HB1 ALA 49 -9.736 -11.606 -2.359 354 HB2 ALA 49 HB2 ALA 49 -11.235 -12.300 -1.713 355 HB3 ALA 49 HB3 ALA 49 -11.311 -11.131 -3.050 356 H THR 50 H THR 50 -8.407 -10.783 -0.762 357 HA THR 50 HA THR 50 -8.626 -11.829 1.907 358 HB THR 50 HB THR 50 -6.171 -11.044 0.275 359 HG1 THR 50 HG1 THR 50 -6.285 -13.325 -0.239 360 HG21 THR 50 HG21 THR 50 -5.009 -12.791 1.575 361 HG22 THR 50 HG22 THR 50 -5.572 -11.507 2.638 362 HG23 THR 50 HG23 THR 50 -6.463 -13.050 2.572 363 H LYS 51 H LYS 51 -8.413 -8.673 0.614 364 HA LYS 51 HA LYS 51 -8.344 -6.627 1.442 365 HB2 LYS 51 HB2 LYS 51 -9.869 -8.086 3.142 366 HB3 LYS 51 HB3 LYS 51 -8.749 -7.417 4.281 367 HG2 LYS 51 HG2 LYS 51 -9.316 -5.149 3.590 368 HG3 LYS 51 HG3 LYS 51 -10.287 -5.761 2.247 369 HD2 LYS 51 HD2 LYS 51 -10.876 -6.056 5.211 370 HD3 LYS 51 HD3 LYS 51 -11.738 -5.046 4.052 371 HE2 LYS 51 HE2 LYS 51 -11.711 -8.085 4.233 372 HE3 LYS 51 HE3 LYS 51 -13.070 -6.999 4.508 373 HZ1 LYS 51 HZ1 LYS 51 -11.789 -7.515 1.876 374 HZ2 LYS 51 HZ2 LYS 51 -13.286 -7.990 2.375 375 HZ3 LYS 51 HZ3 LYS 51 -12.993 -6.420 2.137 376 H THR 52 H THR 52 -5.998 -7.450 0.746 377 HA THR 52 HA THR 52 -4.119 -6.315 2.733 378 HB THR 52 HB THR 52 -2.470 -8.058 1.820 379 HG1 THR 52 HG1 THR 52 -3.456 -8.972 0.109 380 HG21 THR 52 HG21 THR 52 -3.493 -8.235 4.083 381 HG22 THR 52 HG22 THR 52 -4.837 -9.165 3.396 382 HG23 THR 52 HG23 THR 52 -3.190 -9.820 3.347 383 H PHE 53 H PHE 53 -2.279 -5.189 1.728 384 HA PHE 53 HA PHE 53 -2.255 -4.866 -1.167 385 HB2 PHE 53 HB2 PHE 53 -3.891 -3.171 0.080 386 HB3 PHE 53 HB3 PHE 53 -2.420 -2.368 0.554 387 HD1 PHE 53 HD2 PHE 53 -0.795 -2.626 -2.005 388 HD2 PHE 53 HD1 PHE 53 -4.938 -1.651 -1.351 389 HE1 PHE 53 HE2 PHE 53 -0.870 -1.483 -4.186 390 HE2 PHE 53 HE1 PHE 53 -4.986 -0.426 -3.503 391 HZ PHE 53 HZ PHE 53 -2.961 -0.364 -4.953 392 H THR 54 H THR 54 -0.036 -5.513 -1.373 393 HA THR 54 HA THR 54 1.848 -4.244 0.562 394 HB THR 54 HB THR 54 1.998 -7.088 -0.446 395 HG1 THR 54 HG1 THR 54 1.403 -7.624 1.664 396 HG21 THR 54 HG21 THR 54 3.650 -5.517 1.572 397 HG22 THR 54 HG22 THR 54 3.738 -7.281 1.373 398 HG23 THR 54 HG23 THR 54 4.211 -6.215 0.047 399 H VAL 55 H VAL 55 3.416 -3.122 -0.364 400 HA VAL 55 HA VAL 55 3.737 -3.151 -3.291 401 HB VAL 55 HB VAL 55 5.216 -1.515 -1.164 402 HG11 VAL 55 HG11 VAL 55 6.324 -1.565 -3.373 403 HG12 VAL 55 HG12 VAL 55 4.807 -1.089 -4.164 404 HG13 VAL 55 HG13 VAL 55 5.632 0.034 -3.061 405 HG21 VAL 55 HG21 VAL 55 2.664 -0.818 -2.671 406 HG22 VAL 55 HG22 VAL 55 2.845 -1.035 -0.913 407 HG23 VAL 55 HG23 VAL 55 3.642 0.318 -1.711 408 H THR 56 H THR 56 5.004 -4.799 -4.075 409 HA THR 56 HA THR 56 7.389 -5.640 -2.528 410 HB THR 56 HB THR 56 5.647 -7.399 -4.290 411 HG1 THR 56 HG1 THR 56 4.408 -7.738 -2.734 412 HG21 THR 56 HG21 THR 56 7.743 -8.087 -2.182 413 HG22 THR 56 HG22 THR 56 6.767 -9.253 -3.100 414 HG23 THR 56 HG23 THR 56 7.941 -8.232 -3.946 415 H GLU 57 H GLU 57 9.222 -5.505 -3.626 416 HA GLU 57 HA GLU 57 9.347 -4.441 -6.338 417 HB2 GLU 57 HB2 GLU 57 10.831 -3.664 -4.532 418 HB3 GLU 57 HB3 GLU 57 11.373 -5.317 -4.248 419 HG2 GLU 57 HG2 GLU 57 12.407 -5.319 -6.551 420 HG3 GLU 57 HG3 GLU 57 11.943 -3.615 -6.708 Start of MODEL 9 1 H1 MET 1 H MET 1 -16.451 3.840 5.787 2 HA MET 1 HA MET 1 -16.186 2.435 3.860 3 HB2 MET 1 HB2 MET 1 -15.232 4.912 4.019 4 HB3 MET 1 HB3 MET 1 -13.681 4.110 3.838 5 HG2 MET 1 HG2 MET 1 -14.410 4.745 1.671 6 HG3 MET 1 HG3 MET 1 -14.640 2.999 1.740 7 HE1 MET 1 HE1 MET 1 -16.145 3.575 -0.542 8 HE2 MET 1 HE2 MET 1 -17.659 4.510 -0.486 9 HE3 MET 1 HE3 MET 1 -16.110 5.344 -0.299 10 H GLY 2 H GLY 2 -14.664 1.082 2.526 11 HA2 GLY 2 HA2 GLY 2 -13.499 -1.000 3.995 12 HA3 GLY 2 HA3 GLY 2 -13.215 -0.649 2.279 13 H THR 3 H THR 3 -11.554 -1.193 5.012 14 HA THR 3 HA THR 3 -9.493 0.923 4.711 15 HB THR 3 HB THR 3 -9.962 -1.295 6.748 16 HG1 THR 3 HG1 THR 3 -11.282 0.668 6.805 17 HG21 THR 3 HG21 THR 3 -7.545 -0.959 6.601 18 HG22 THR 3 HG22 THR 3 -7.752 0.800 6.639 19 HG23 THR 3 HG23 THR 3 -8.148 -0.181 8.071 20 H TYR 4 H TYR 4 -7.898 0.509 3.235 21 HA TYR 4 HA TYR 4 -7.328 -2.307 2.484 22 HB2 TYR 4 HB2 TYR 4 -6.574 0.394 1.317 23 HB3 TYR 4 HB3 TYR 4 -5.684 -1.063 0.905 24 HD1 TYR 4 HD1 TYR 4 -6.859 -3.031 -0.183 25 HD2 TYR 4 HD2 TYR 4 -8.668 0.877 0.180 26 HE1 TYR 4 HE1 TYR 4 -8.481 -3.618 -1.945 27 HE2 TYR 4 HE2 TYR 4 -10.287 0.288 -1.580 28 HH TYR 4 HH TYR 4 -11.201 -1.482 -2.915 29 H LYS 5 H LYS 5 -5.740 -3.343 3.489 30 HA LYS 5 HA LYS 5 -4.014 -2.028 5.469 31 HB2 LYS 5 HB2 LYS 5 -4.155 -4.881 4.377 32 HB3 LYS 5 HB3 LYS 5 -3.015 -4.359 5.611 33 HG2 LYS 5 HG2 LYS 5 -4.869 -3.779 7.130 34 HG3 LYS 5 HG3 LYS 5 -6.042 -4.242 5.875 35 HD2 LYS 5 HD2 LYS 5 -5.150 -6.542 5.880 36 HD3 LYS 5 HD3 LYS 5 -3.995 -6.104 7.164 37 HE2 LYS 5 HE2 LYS 5 -5.656 -5.871 8.786 38 HE3 LYS 5 HE3 LYS 5 -6.916 -5.522 7.585 39 HZ1 LYS 5 HZ1 LYS 5 -7.300 -7.632 8.423 40 HZ2 LYS 5 HZ2 LYS 5 -6.823 -7.831 6.887 41 HZ3 LYS 5 HZ3 LYS 5 -5.754 -8.170 8.107 42 H LEU 6 H LEU 6 -2.085 -1.158 4.974 43 HA LEU 6 HA LEU 6 -0.936 -1.561 2.284 44 HB2 LEU 6 HB2 LEU 6 -1.459 0.704 3.153 45 HB3 LEU 6 HB3 LEU 6 -0.418 0.431 4.530 46 HG LEU 6 HG LEU 6 0.622 1.907 2.939 47 HD11 LEU 6 HD11 LEU 6 2.759 0.965 2.610 48 HD12 LEU 6 HD12 LEU 6 2.139 0.287 4.134 49 HD13 LEU 6 HD13 LEU 6 2.167 -0.683 2.637 50 HD21 LEU 6 HD21 LEU 6 -0.535 1.081 0.892 51 HD22 LEU 6 HD22 LEU 6 1.210 1.284 0.667 52 HD23 LEU 6 HD23 LEU 6 0.535 -0.337 0.909 53 H ILE 7 H ILE 7 0.678 -3.059 2.177 54 HA ILE 7 HA ILE 7 2.351 -3.593 4.589 55 HB ILE 7 HB ILE 7 1.561 -5.635 2.465 56 HG12 ILE 7 HG12 ILE 7 0.692 -6.840 4.651 57 HG13 ILE 7 HG13 ILE 7 0.553 -5.206 5.295 58 HG21 ILE 7 HG21 ILE 7 3.868 -5.907 3.330 59 HG22 ILE 7 HG22 ILE 7 3.263 -5.845 4.997 60 HG23 ILE 7 HG23 ILE 7 2.830 -7.193 3.931 61 HD11 ILE 7 HD11 ILE 7 -0.998 -4.641 3.445 62 HD12 ILE 7 HD12 ILE 7 -0.755 -6.243 2.725 63 HD13 ILE 7 HD13 ILE 7 -1.562 -6.074 4.296 64 H LEU 8 H LEU 8 4.169 -2.559 4.196 65 HA LEU 8 HA LEU 8 5.055 -1.991 1.434 66 HB2 LEU 8 HB2 LEU 8 4.692 -0.234 3.390 67 HB3 LEU 8 HB3 LEU 8 6.178 -0.890 4.026 68 HG LEU 8 HG LEU 8 7.219 -0.385 1.743 69 HD11 LEU 8 HD11 LEU 8 6.144 1.278 0.361 70 HD12 LEU 8 HD12 LEU 8 4.962 0.001 0.593 71 HD13 LEU 8 HD13 LEU 8 4.821 1.496 1.527 72 HD21 LEU 8 HD21 LEU 8 7.724 0.930 3.746 73 HD22 LEU 8 HD22 LEU 8 7.563 2.015 2.360 74 HD23 LEU 8 HD23 LEU 8 6.237 1.883 3.535 75 H ASN 9 H ASN 9 6.449 -3.527 0.627 76 HA ASN 9 HA ASN 9 8.361 -4.877 2.469 77 HB2 ASN 9 HB2 ASN 9 6.520 -6.295 1.633 78 HB3 ASN 9 HB3 ASN 9 6.966 -5.930 -0.028 79 HD21 ASN 9 HD22 ASN 9 9.661 -6.352 -0.295 80 HD22 ASN 9 HD21 ASN 9 10.026 -7.988 0.226 81 H GLY 10 H GLY 10 9.949 -3.219 2.150 82 HA2 GLY 10 HA2 GLY 10 10.842 -2.561 -0.561 83 HA3 GLY 10 HA3 GLY 10 11.410 -1.902 0.983 84 H LYS 11 H LYS 11 13.477 -2.229 -0.272 85 HA LYS 11 HA LYS 11 14.512 -5.038 -0.126 86 HB2 LYS 11 HB2 LYS 11 16.333 -4.362 -1.509 87 HB3 LYS 11 HB3 LYS 11 14.838 -3.906 -2.285 88 HG2 LYS 11 HG2 LYS 11 16.116 -1.774 -0.597 89 HG3 LYS 11 HG3 LYS 11 17.048 -2.279 -2.003 90 HD2 LYS 11 HD2 LYS 11 15.414 -1.573 -3.533 91 HD3 LYS 11 HD3 LYS 11 14.129 -1.630 -2.332 92 HE2 LYS 11 HE2 LYS 11 15.161 0.289 -1.125 93 HE3 LYS 11 HE3 LYS 11 16.417 0.397 -2.378 94 HZ1 LYS 11 HZ1 LYS 11 14.390 1.915 -2.655 95 HZ2 LYS 11 HZ2 LYS 11 14.803 1.007 -3.958 96 HZ3 LYS 11 HZ3 LYS 11 13.538 0.584 -3.044 97 H THR 12 H THR 12 14.451 -2.396 1.892 98 HA THR 12 HA THR 12 16.759 -3.474 3.407 99 HB THR 12 HB THR 12 16.503 -0.592 2.470 100 HG1 THR 12 HG1 THR 12 17.608 -2.695 1.407 101 HG21 THR 12 HG21 THR 12 18.729 -0.218 3.528 102 HG22 THR 12 HG22 THR 12 17.440 -0.458 4.706 103 HG23 THR 12 HG23 THR 12 18.576 -1.783 4.353 104 H LEU 13 H LEU 13 13.596 -2.002 3.341 105 HA LEU 13 HA LEU 13 13.376 -2.257 6.211 106 HB2 LEU 13 HB2 LEU 13 12.552 -0.052 6.546 107 HB3 LEU 13 HB3 LEU 13 14.115 0.085 5.785 108 HG LEU 13 HG LEU 13 12.810 1.767 4.873 109 HD11 LEU 13 HD11 LEU 13 12.643 -0.304 2.678 110 HD12 LEU 13 HD12 LEU 13 12.715 1.455 2.525 111 HD13 LEU 13 HD13 LEU 13 14.118 0.589 3.150 112 HD21 LEU 13 HD21 LEU 13 10.634 1.697 4.009 113 HD22 LEU 13 HD22 LEU 13 10.539 -0.058 4.050 114 HD23 LEU 13 HD23 LEU 13 10.577 0.876 5.568 115 H LYS 14 H LYS 14 11.047 -2.030 6.806 116 HA LYS 14 HA LYS 14 9.129 -2.562 4.626 117 HB2 LYS 14 HB2 LYS 14 9.415 -4.341 7.087 118 HB3 LYS 14 HB3 LYS 14 8.077 -4.370 5.937 119 HG2 LYS 14 HG2 LYS 14 9.986 -4.689 4.126 120 HG3 LYS 14 HG3 LYS 14 10.936 -5.224 5.522 121 HD2 LYS 14 HD2 LYS 14 9.069 -6.886 6.010 122 HD3 LYS 14 HD3 LYS 14 8.304 -6.381 4.486 123 HE2 LYS 14 HE2 LYS 14 10.518 -6.941 3.327 124 HE3 LYS 14 HE3 LYS 14 11.077 -7.605 4.864 125 HZ1 LYS 14 HZ1 LYS 14 10.281 -9.327 3.549 126 HZ2 LYS 14 HZ2 LYS 14 9.121 -9.141 4.724 127 HZ3 LYS 14 HZ3 LYS 14 8.852 -8.593 3.198 128 H GLY 15 H GLY 15 6.805 -2.421 5.533 129 HA2 GLY 15 HA2 GLY 15 6.520 -0.711 7.898 130 HA3 GLY 15 HA3 GLY 15 6.174 0.050 6.341 131 H GLU 16 H GLU 16 4.236 -0.488 8.463 132 HA GLU 16 HA GLU 16 2.294 -2.009 6.838 133 HB2 GLU 16 HB2 GLU 16 3.367 -3.662 8.391 134 HB3 GLU 16 HB3 GLU 16 2.911 -2.635 9.767 135 HG2 GLU 16 HG2 GLU 16 0.478 -2.906 8.999 136 HG3 GLU 16 HG3 GLU 16 1.052 -4.087 7.830 137 H THR 17 H THR 17 0.644 -0.532 6.638 138 HA THR 17 HA THR 17 -0.261 1.008 9.003 139 HB THR 17 HB THR 17 -0.447 2.998 7.424 140 HG1 THR 17 HG1 THR 17 1.046 2.974 5.699 141 HG21 THR 17 HG21 THR 17 1.327 2.814 9.188 142 HG22 THR 17 HG22 THR 17 2.411 2.112 7.975 143 HG23 THR 17 HG23 THR 17 1.814 3.764 7.774 144 H THR 18 H THR 18 -2.426 2.228 8.287 145 HA THR 18 HA THR 18 -4.023 0.587 6.401 146 HB THR 18 HB THR 18 -5.827 0.686 8.304 147 HG1 THR 18 HG1 THR 18 -4.465 1.913 9.747 148 HG21 THR 18 HG21 THR 18 -3.555 -1.272 8.708 149 HG22 THR 18 HG22 THR 18 -5.250 -1.471 9.185 150 HG23 THR 18 HG23 THR 18 -4.825 -1.429 7.464 151 H THR 19 H THR 19 -5.532 1.865 5.338 152 HA THR 19 HA THR 19 -6.490 4.331 6.438 153 HB THR 19 HB THR 19 -4.632 4.387 4.060 154 HG1 THR 19 HG1 THR 19 -4.229 4.743 6.526 155 HG21 THR 19 HG21 THR 19 -5.196 6.804 3.859 156 HG22 THR 19 HG22 THR 19 -6.599 5.790 3.486 157 HG23 THR 19 HG23 THR 19 -6.484 6.595 5.065 158 H GLU 20 H GLU 20 -8.554 4.819 5.551 159 HA GLU 20 HA GLU 20 -9.535 2.776 3.623 160 HB2 GLU 20 HB2 GLU 20 -11.770 3.276 4.476 161 HB3 GLU 20 HB3 GLU 20 -10.706 2.585 5.690 162 HG2 GLU 20 HG2 GLU 20 -10.394 4.802 6.720 163 HG3 GLU 20 HG3 GLU 20 -11.427 5.513 5.478 164 H ALA 21 H ALA 21 -10.787 3.486 1.864 165 HA ALA 21 HA ALA 21 -11.066 6.295 1.227 166 HB1 ALA 21 HB1 ALA 21 -9.258 4.495 -0.468 167 HB2 ALA 21 HB2 ALA 21 -9.708 6.188 -0.784 168 HB3 ALA 21 HB3 ALA 21 -8.669 5.804 0.594 169 H VAL 22 H VAL 22 -11.932 6.279 -1.297 170 HA VAL 22 HA VAL 22 -14.242 4.607 -1.145 171 HB VAL 22 HB VAL 22 -14.233 6.825 -2.190 172 HG11 VAL 22 HG11 VAL 22 -13.446 7.214 -4.448 173 HG12 VAL 22 HG12 VAL 22 -12.074 6.693 -3.459 174 HG13 VAL 22 HG13 VAL 22 -12.861 5.558 -4.589 175 HG21 VAL 22 HG21 VAL 22 -15.152 4.626 -4.090 176 HG22 VAL 22 HG22 VAL 22 -16.060 5.246 -2.698 177 HG23 VAL 22 HG23 VAL 22 -15.720 6.304 -4.070 178 H ASP 23 H ASP 23 -11.240 4.265 -3.181 179 HA ASP 23 HA ASP 23 -11.784 1.397 -3.324 180 HB2 ASP 23 HB2 ASP 23 -11.615 3.162 -5.800 181 HB3 ASP 23 HB3 ASP 23 -11.409 1.420 -5.821 182 H ALA 24 H ALA 24 -9.921 0.413 -4.750 183 HA ALA 24 HA ALA 24 -7.561 0.625 -3.348 184 HB1 ALA 24 HB1 ALA 24 -8.250 -1.307 -4.746 185 HB2 ALA 24 HB2 ALA 24 -7.914 -0.352 -6.210 186 HB3 ALA 24 HB3 ALA 24 -6.600 -0.775 -5.113 187 H ALA 25 H ALA 25 -8.297 2.257 -6.489 188 HA ALA 25 HA ALA 25 -5.754 3.295 -6.998 189 HB1 ALA 25 HB1 ALA 25 -7.599 3.512 -8.588 190 HB2 ALA 25 HB2 ALA 25 -8.440 4.633 -7.491 191 HB3 ALA 25 HB3 ALA 25 -6.902 5.101 -8.245 192 H THR 26 H THR 26 -8.318 4.800 -4.937 193 HA THR 26 HA THR 26 -6.686 7.109 -4.389 194 HB THR 26 HB THR 26 -9.057 5.965 -2.873 195 HG1 THR 26 HG1 THR 26 -9.737 6.526 -4.891 196 HG21 THR 26 HG21 THR 26 -7.775 7.613 -1.490 197 HG22 THR 26 HG22 THR 26 -7.819 8.770 -2.836 198 HG23 THR 26 HG23 THR 26 -9.315 8.275 -2.020 199 H ALA 27 H ALA 27 -6.944 3.895 -2.822 200 HA ALA 27 HA ALA 27 -5.409 4.648 -0.522 201 HB1 ALA 27 HB1 ALA 27 -5.802 1.904 -1.809 202 HB2 ALA 27 HB2 ALA 27 -5.107 2.207 -0.214 203 HB3 ALA 27 HB3 ALA 27 -6.805 2.626 -0.528 204 H GLU 28 H GLU 28 -4.603 3.035 -3.554 205 HA GLU 28 HA GLU 28 -1.874 2.618 -3.397 206 HB2 GLU 28 HB2 GLU 28 -3.418 1.748 -5.115 207 HB3 GLU 28 HB3 GLU 28 -3.700 3.360 -5.725 208 HG2 GLU 28 HG2 GLU 28 -1.286 3.495 -6.411 209 HG3 GLU 28 HG3 GLU 28 -1.123 1.780 -5.958 210 H LYS 29 H LYS 29 -3.549 5.459 -4.849 211 HA LYS 29 HA LYS 29 -1.120 6.830 -5.429 212 HB2 LYS 29 HB2 LYS 29 -3.978 7.857 -5.157 213 HB3 LYS 29 HB3 LYS 29 -2.598 8.836 -5.652 214 HG2 LYS 29 HG2 LYS 29 -2.169 7.026 -7.465 215 HG3 LYS 29 HG3 LYS 29 -3.780 6.439 -7.108 216 HD2 LYS 29 HD2 LYS 29 -4.034 7.906 -8.936 217 HD3 LYS 29 HD3 LYS 29 -4.619 8.826 -7.532 218 HE2 LYS 29 HE2 LYS 29 -2.364 9.922 -7.365 219 HE3 LYS 29 HE3 LYS 29 -1.810 8.966 -8.745 220 HZ1 LYS 29 HZ1 LYS 29 -3.529 10.068 -10.062 221 HZ2 LYS 29 HZ2 LYS 29 -3.882 11.057 -8.778 222 HZ3 LYS 29 HZ3 LYS 29 -2.373 11.068 -9.491 223 H VAL 30 H VAL 30 -3.454 7.398 -2.716 224 HA VAL 30 HA VAL 30 -1.978 9.496 -1.571 225 HB VAL 30 HB VAL 30 -3.930 7.490 -0.424 226 HG11 VAL 30 HG11 VAL 30 -4.192 9.036 1.517 227 HG12 VAL 30 HG12 VAL 30 -2.649 8.197 1.485 228 HG13 VAL 30 HG13 VAL 30 -2.727 9.895 0.982 229 HG21 VAL 30 HG21 VAL 30 -4.179 10.463 -1.120 230 HG22 VAL 30 HG22 VAL 30 -4.812 9.135 -2.103 231 HG23 VAL 30 HG23 VAL 30 -5.481 9.430 -0.495 232 H PHE 31 H PHE 31 -1.813 5.933 -0.685 233 HA PHE 31 HA PHE 31 0.318 6.530 1.126 234 HB2 PHE 31 HB2 PHE 31 -0.869 3.981 0.068 235 HB3 PHE 31 HB3 PHE 31 0.720 3.906 0.786 236 HD1 PHE 31 HD2 PHE 31 0.558 5.867 3.084 237 HD2 PHE 31 HD1 PHE 31 -2.156 2.810 1.684 238 HE1 PHE 31 HE2 PHE 31 -0.252 5.560 5.362 239 HE2 PHE 31 HE1 PHE 31 -2.932 2.477 4.018 240 HZ PHE 31 HZ PHE 31 -1.989 3.852 5.858 241 H LYS 32 H LYS 32 0.494 6.447 -2.329 242 HA LYS 32 HA LYS 32 3.094 5.346 -2.600 243 HB2 LYS 32 HB2 LYS 32 1.508 6.015 -4.479 244 HB3 LYS 32 HB3 LYS 32 2.021 7.685 -4.227 245 HG2 LYS 32 HG2 LYS 32 4.274 7.193 -4.813 246 HG3 LYS 32 HG3 LYS 32 4.021 5.447 -4.720 247 HD2 LYS 32 HD2 LYS 32 2.759 5.381 -6.724 248 HD3 LYS 32 HD3 LYS 32 2.521 7.126 -6.746 249 HE2 LYS 32 HE2 LYS 32 4.159 6.201 -8.443 250 HE3 LYS 32 HE3 LYS 32 4.707 7.573 -7.472 251 HZ1 LYS 32 HZ1 LYS 32 5.433 4.794 -6.779 252 HZ2 LYS 32 HZ2 LYS 32 6.312 5.733 -7.780 253 HZ3 LYS 32 HZ3 LYS 32 6.088 6.226 -6.233 254 H GLN 33 H GLN 33 1.988 8.479 -1.449 255 HA GLN 33 HA GLN 33 4.423 9.927 -1.482 256 HB2 GLN 33 HB2 GLN 33 2.105 9.971 0.515 257 HB3 GLN 33 HB3 GLN 33 3.388 11.172 0.426 258 HG2 GLN 33 HG2 GLN 33 2.652 11.952 -1.724 259 HG3 GLN 33 HG3 GLN 33 1.505 10.615 -1.899 260 HE21 GLN 33 HE22 GLN 33 -0.176 10.454 -0.084 261 HE22 GLN 33 HE21 GLN 33 -0.917 11.972 0.428 262 H TYR 34 H TYR 34 2.928 8.103 1.246 263 HA TYR 34 HA TYR 34 5.143 8.192 2.995 264 HB2 TYR 34 HB2 TYR 34 3.169 7.651 4.034 265 HB3 TYR 34 HB3 TYR 34 2.625 6.596 2.740 266 HD1 TYR 34 HD2 TYR 34 5.110 6.754 5.567 267 HD2 TYR 34 HD1 TYR 34 2.764 4.265 2.942 268 HE1 TYR 34 HE2 TYR 34 5.764 4.762 6.884 269 HE2 TYR 34 HE1 TYR 34 3.422 2.276 4.270 270 HH TYR 34 HH TYR 34 5.008 2.299 7.292 271 H ALA 35 H ALA 35 4.205 5.645 0.641 272 HA ALA 35 HA ALA 35 6.217 3.795 1.292 273 HB1 ALA 35 HB1 ALA 35 5.852 3.004 -1.063 274 HB2 ALA 35 HB2 ALA 35 4.327 3.302 -0.197 275 HB3 ALA 35 HB3 ALA 35 4.937 4.482 -1.384 276 H ASN 36 H ASN 36 6.331 6.315 -1.331 277 HA ASN 36 HA ASN 36 9.076 5.761 -1.850 278 HB2 ASN 36 HB2 ASN 36 7.451 6.795 -3.459 279 HB3 ASN 36 HB3 ASN 36 7.618 8.321 -2.572 280 HD21 ASN 36 HD22 ASN 36 9.030 9.622 -3.822 281 HD22 ASN 36 HD21 ASN 36 10.524 9.040 -4.529 282 H ASP 37 H ASP 37 7.536 7.919 0.491 283 HA ASP 37 HA ASP 37 9.915 9.515 1.049 284 HB2 ASP 37 HB2 ASP 37 7.629 10.340 1.500 285 HB3 ASP 37 HB3 ASP 37 7.407 9.052 2.705 286 H ASN 38 H ASN 38 8.759 6.380 1.903 287 HA ASN 38 HA ASN 38 10.602 6.060 4.183 288 HB2 ASN 38 HB2 ASN 38 8.135 5.315 4.139 289 HB3 ASN 38 HB3 ASN 38 8.657 4.024 3.045 290 HD21 ASN 38 HD22 ASN 38 7.503 3.003 5.175 291 HD22 ASN 38 HD21 ASN 38 8.630 2.577 6.448 292 H GLY 39 H GLY 39 10.831 5.929 0.847 293 HA2 GLY 39 HA2 GLY 39 12.612 5.238 -0.437 294 HA3 GLY 39 HA3 GLY 39 13.274 4.345 0.926 295 H VAL 40 H VAL 40 9.925 3.774 -0.254 296 HA VAL 40 HA VAL 40 10.878 1.235 -1.445 297 HB VAL 40 HB VAL 40 8.347 1.563 0.176 298 HG11 VAL 40 HG11 VAL 40 9.709 -0.794 -1.185 299 HG12 VAL 40 HG12 VAL 40 8.453 -1.016 0.039 300 HG13 VAL 40 HG13 VAL 40 8.078 -0.176 -1.465 301 HG21 VAL 40 HG21 VAL 40 9.476 0.095 1.870 302 HG22 VAL 40 HG22 VAL 40 10.994 0.341 1.002 303 HG23 VAL 40 HG23 VAL 40 10.167 1.717 1.745 304 H ASP 41 H ASP 41 10.265 0.915 -3.459 305 HA ASP 41 HA ASP 41 7.708 1.934 -4.428 306 HB2 ASP 41 HB2 ASP 41 9.389 3.827 -4.738 307 HB3 ASP 41 HB3 ASP 41 10.293 2.757 -5.812 308 H GLY 42 H GLY 42 7.058 -0.109 -4.754 309 HA2 GLY 42 HA2 GLY 42 8.597 -1.810 -6.659 310 HA3 GLY 42 HA3 GLY 42 7.903 -2.441 -5.154 311 H GLU 43 H GLU 43 6.691 -3.909 -6.439 312 HA GLU 43 HA GLU 43 4.662 -2.923 -8.298 313 HB2 GLU 43 HB2 GLU 43 5.940 -4.962 -8.713 314 HB3 GLU 43 HB3 GLU 43 5.358 -5.666 -7.190 315 HG2 GLU 43 HG2 GLU 43 3.046 -5.643 -8.032 316 HG3 GLU 43 HG3 GLU 43 3.567 -4.806 -9.509 317 H TRP 44 H TRP 44 2.854 -2.068 -7.525 318 HA TRP 44 HA TRP 44 1.769 -2.650 -4.859 319 HB2 TRP 44 HB2 TRP 44 1.048 -0.686 -7.094 320 HB3 TRP 44 HB3 TRP 44 0.148 -0.830 -5.597 321 HD1 TRP 44 HD1 TRP 44 3.743 -0.014 -6.665 322 HE1 TRP 44 HE1 TRP 44 4.738 1.732 -4.988 323 HE3 TRP 44 HE3 TRP 44 -0.269 0.531 -3.555 324 HZ2 TRP 44 HZ2 TRP 44 3.864 3.170 -2.772 325 HZ3 TRP 44 HZ3 TRP 44 -0.164 2.141 -1.659 326 HH2 TRP 44 HH2 TRP 44 1.910 3.422 -1.227 327 H THR 45 H THR 45 0.655 -4.620 -4.849 328 HA THR 45 HA THR 45 -1.487 -4.925 -6.911 329 HB THR 45 HB THR 45 0.219 -7.104 -5.690 330 HG1 THR 45 HG1 THR 45 1.228 -7.065 -7.546 331 HG21 THR 45 HG21 THR 45 -2.134 -7.206 -7.640 332 HG22 THR 45 HG22 THR 45 -1.003 -8.540 -7.402 333 HG23 THR 45 HG23 THR 45 -2.026 -8.004 -6.058 334 H TYR 46 H TYR 46 -3.431 -4.834 -6.151 335 HA TYR 46 HA TYR 46 -3.985 -5.041 -3.285 336 HB2 TYR 46 HB2 TYR 46 -6.029 -3.914 -3.767 337 HB3 TYR 46 HB3 TYR 46 -4.734 -3.048 -4.561 338 HD1 TYR 46 HD1 TYR 46 -4.530 -2.988 -7.036 339 HD2 TYR 46 HD2 TYR 46 -7.731 -5.110 -5.049 340 HE1 TYR 46 HE1 TYR 46 -5.708 -3.252 -9.201 341 HE2 TYR 46 HE2 TYR 46 -8.889 -5.390 -7.201 342 HH TYR 46 HH TYR 46 -8.286 -5.453 -9.651 343 H ASP 47 H ASP 47 -5.680 -6.254 -2.470 344 HA ASP 47 HA ASP 47 -6.865 -8.397 -4.120 345 HB2 ASP 47 HB2 ASP 47 -4.875 -9.379 -3.014 346 HB3 ASP 47 HB3 ASP 47 -5.468 -8.844 -1.439 347 H ASP 48 H ASP 48 -8.825 -7.337 -4.042 348 HA ASP 48 HA ASP 48 -9.774 -5.929 -1.702 349 HB2 ASP 48 HB2 ASP 48 -11.171 -5.024 -3.141 350 HB3 ASP 48 HB3 ASP 48 -10.545 -6.028 -4.416 351 H ALA 49 H ALA 49 -10.204 -9.233 -2.918 352 HA ALA 49 HA ALA 49 -12.332 -10.017 -1.221 353 HB1 ALA 49 HB1 ALA 49 -10.082 -11.687 -2.423 354 HB2 ALA 49 HB2 ALA 49 -11.566 -12.328 -1.728 355 HB3 ALA 49 HB3 ALA 49 -11.642 -11.328 -3.192 356 H THR 50 H THR 50 -8.777 -10.356 -0.832 357 HA THR 50 HA THR 50 -9.044 -11.317 1.917 358 HB THR 50 HB THR 50 -6.558 -10.427 0.393 359 HG1 THR 50 HG1 THR 50 -6.805 -12.088 -0.776 360 HG21 THR 50 HG21 THR 50 -6.174 -10.892 2.830 361 HG22 THR 50 HG22 THR 50 -6.848 -12.527 2.591 362 HG23 THR 50 HG23 THR 50 -5.364 -12.032 1.770 363 H LYS 51 H LYS 51 -8.907 -8.269 0.348 364 HA LYS 51 HA LYS 51 -8.840 -6.162 0.888 365 HB2 LYS 51 HB2 LYS 51 -10.739 -6.785 2.212 366 HB3 LYS 51 HB3 LYS 51 -9.739 -7.091 3.627 367 HG2 LYS 51 HG2 LYS 51 -9.230 -4.779 3.899 368 HG3 LYS 51 HG3 LYS 51 -9.742 -4.363 2.267 369 HD2 LYS 51 HD2 LYS 51 -11.726 -5.584 4.202 370 HD3 LYS 51 HD3 LYS 51 -11.309 -3.867 4.352 371 HE2 LYS 51 HE2 LYS 51 -12.197 -3.271 2.320 372 HE3 LYS 51 HE3 LYS 51 -11.941 -4.857 1.591 373 HZ1 LYS 51 HZ1 LYS 51 -14.263 -4.067 2.181 374 HZ2 LYS 51 HZ2 LYS 51 -13.845 -5.640 2.403 375 HZ3 LYS 51 HZ3 LYS 51 -13.932 -4.583 3.714 376 H THR 52 H THR 52 -6.488 -7.085 0.482 377 HA THR 52 HA THR 52 -4.715 -5.697 2.396 378 HB THR 52 HB THR 52 -3.061 -7.620 1.682 379 HG1 THR 52 HG1 THR 52 -3.975 -9.505 1.183 380 HG21 THR 52 HG21 THR 52 -5.305 -8.161 3.680 381 HG22 THR 52 HG22 THR 52 -3.724 -8.970 3.631 382 HG23 THR 52 HG23 THR 52 -3.814 -7.244 3.999 383 H PHE 53 H PHE 53 -2.755 -4.815 1.365 384 HA PHE 53 HA PHE 53 -2.717 -4.817 -1.557 385 HB2 PHE 53 HB2 PHE 53 -4.268 -2.963 -0.516 386 HB3 PHE 53 HB3 PHE 53 -2.781 -2.167 -0.064 387 HD1 PHE 53 HD2 PHE 53 -1.484 -3.291 -2.957 388 HD2 PHE 53 HD1 PHE 53 -4.909 -0.965 -1.705 389 HE1 PHE 53 HE2 PHE 53 -1.562 -2.180 -5.154 390 HE2 PHE 53 HE1 PHE 53 -4.886 0.199 -3.884 391 HZ PHE 53 HZ PHE 53 -3.219 -0.422 -5.629 392 H THR 54 H THR 54 -0.700 -5.760 -1.593 393 HA THR 54 HA THR 54 1.392 -4.714 0.177 394 HB THR 54 HB THR 54 1.522 -7.167 -1.562 395 HG1 THR 54 HG1 THR 54 0.720 -8.307 0.043 396 HG21 THR 54 HG21 THR 54 3.690 -6.472 -0.689 397 HG22 THR 54 HG22 THR 54 3.038 -6.278 0.937 398 HG23 THR 54 HG23 THR 54 3.154 -7.886 0.221 399 H VAL 55 H VAL 55 3.252 -3.847 -0.473 400 HA VAL 55 HA VAL 55 3.647 -3.152 -3.339 401 HB VAL 55 HB VAL 55 4.682 -1.707 -0.853 402 HG11 VAL 55 HG11 VAL 55 6.094 -1.391 -2.810 403 HG12 VAL 55 HG12 VAL 55 4.683 -0.990 -3.808 404 HG13 VAL 55 HG13 VAL 55 5.195 0.101 -2.493 405 HG21 VAL 55 HG21 VAL 55 2.248 -1.107 -2.533 406 HG22 VAL 55 HG22 VAL 55 2.341 -1.386 -0.771 407 HG23 VAL 55 HG23 VAL 55 3.029 0.085 -1.456 408 H THR 56 H THR 56 5.056 -4.820 -4.000 409 HA THR 56 HA THR 56 7.282 -5.529 -2.135 410 HB THR 56 HB THR 56 5.938 -7.239 -4.230 411 HG1 THR 56 HG1 THR 56 4.970 -8.169 -2.655 412 HG21 THR 56 HG21 THR 56 8.156 -7.920 -2.247 413 HG22 THR 56 HG22 THR 56 7.308 -9.082 -3.289 414 HG23 THR 56 HG23 THR 56 8.330 -7.834 -4.018 415 H GLU 57 H GLU 57 9.044 -4.532 -2.649 416 HA GLU 57 HA GLU 57 9.708 -3.819 -5.455 417 HB2 GLU 57 HB2 GLU 57 9.672 -2.019 -3.694 418 HB3 GLU 57 HB3 GLU 57 10.854 -2.941 -2.758 419 HG2 GLU 57 HG2 GLU 57 12.534 -2.672 -4.491 420 HG3 GLU 57 HG3 GLU 57 11.361 -1.960 -5.600 Start of MODEL 10 1 H1 MET 1 H MET 1 -17.575 1.897 -0.107 2 HA MET 1 HA MET 1 -15.001 1.947 -0.120 3 HB2 MET 1 HB2 MET 1 -16.390 2.220 2.575 4 HB3 MET 1 HB3 MET 1 -14.839 2.885 2.138 5 HG2 MET 1 HG2 MET 1 -16.143 4.221 0.326 6 HG3 MET 1 HG3 MET 1 -17.586 3.689 1.174 7 HE1 MET 1 HE1 MET 1 -14.409 6.604 2.929 8 HE2 MET 1 HE2 MET 1 -13.999 4.911 2.621 9 HE3 MET 1 HE3 MET 1 -14.398 6.002 1.265 10 H GLY 2 H GLY 2 -13.168 1.245 1.446 11 HA2 GLY 2 HA2 GLY 2 -13.580 -1.274 2.860 12 HA3 GLY 2 HA3 GLY 2 -12.589 -1.362 1.392 13 H THR 3 H THR 3 -11.526 -1.961 3.898 14 HA THR 3 HA THR 3 -9.949 0.389 4.778 15 HB THR 3 HB THR 3 -10.180 -2.408 5.957 16 HG1 THR 3 HG1 THR 3 -12.092 -1.493 6.174 17 HG21 THR 3 HG21 THR 3 -9.265 -1.310 7.995 18 HG22 THR 3 HG22 THR 3 -8.124 -1.259 6.650 19 HG23 THR 3 HG23 THR 3 -9.048 0.200 7.075 20 H TYR 4 H TYR 4 -8.281 0.698 3.317 21 HA TYR 4 HA TYR 4 -6.954 -1.675 2.156 22 HB2 TYR 4 HB2 TYR 4 -6.868 1.285 1.574 23 HB3 TYR 4 HB3 TYR 4 -5.745 0.131 0.850 24 HD1 TYR 4 HD1 TYR 4 -6.513 -1.576 -0.761 25 HD2 TYR 4 HD2 TYR 4 -9.264 1.298 0.932 26 HE1 TYR 4 HE1 TYR 4 -8.133 -2.114 -2.514 27 HE2 TYR 4 HE2 TYR 4 -10.922 0.729 -0.814 28 HH TYR 4 HH TYR 4 -10.191 -1.316 -3.584 29 H LYS 5 H LYS 5 -5.766 -2.528 3.654 30 HA LYS 5 HA LYS 5 -3.971 -1.085 5.442 31 HB2 LYS 5 HB2 LYS 5 -5.229 -3.135 6.070 32 HB3 LYS 5 HB3 LYS 5 -4.347 -4.052 4.839 33 HG2 LYS 5 HG2 LYS 5 -2.206 -3.560 6.051 34 HG3 LYS 5 HG3 LYS 5 -3.136 -2.664 7.267 35 HD2 LYS 5 HD2 LYS 5 -4.506 -4.736 7.673 36 HD3 LYS 5 HD3 LYS 5 -3.414 -5.626 6.582 37 HE2 LYS 5 HE2 LYS 5 -1.498 -4.980 8.040 38 HE3 LYS 5 HE3 LYS 5 -2.622 -4.118 9.105 39 HZ1 LYS 5 HZ1 LYS 5 -2.487 -6.114 10.132 40 HZ2 LYS 5 HZ2 LYS 5 -3.764 -6.443 9.138 41 HZ3 LYS 5 HZ3 LYS 5 -2.253 -6.980 8.746 42 H LEU 6 H LEU 6 -2.132 -0.252 4.551 43 HA LEU 6 HA LEU 6 -1.073 -1.324 2.044 44 HB2 LEU 6 HB2 LEU 6 -1.296 1.275 3.147 45 HB3 LEU 6 HB3 LEU 6 0.403 0.900 3.307 46 HG LEU 6 HG LEU 6 0.121 2.005 1.246 47 HD11 LEU 6 HD11 LEU 6 1.035 0.543 -0.366 48 HD12 LEU 6 HD12 LEU 6 1.656 0.031 1.203 49 HD13 LEU 6 HD13 LEU 6 0.366 -0.893 0.404 50 HD21 LEU 6 HD21 LEU 6 -2.337 0.337 0.971 51 HD22 LEU 6 HD22 LEU 6 -2.036 2.014 0.522 52 HD23 LEU 6 HD23 LEU 6 -1.468 0.713 -0.524 53 H ILE 7 H ILE 7 0.708 -2.601 1.919 54 HA ILE 7 HA ILE 7 2.480 -2.911 4.278 55 HB ILE 7 HB ILE 7 1.462 -4.993 2.298 56 HG12 ILE 7 HG12 ILE 7 1.229 -6.243 4.609 57 HG13 ILE 7 HG13 ILE 7 1.341 -4.653 5.332 58 HG21 ILE 7 HG21 ILE 7 3.892 -5.309 2.467 59 HG22 ILE 7 HG22 ILE 7 3.810 -5.200 4.233 60 HG23 ILE 7 HG23 ILE 7 3.075 -6.569 3.365 61 HD11 ILE 7 HD11 ILE 7 -0.716 -3.990 4.174 62 HD12 ILE 7 HD12 ILE 7 -0.730 -5.497 3.231 63 HD13 ILE 7 HD13 ILE 7 -0.987 -5.518 5.001 64 H LEU 8 H LEU 8 4.457 -2.339 3.912 65 HA LEU 8 HA LEU 8 5.443 -1.718 1.147 66 HB2 LEU 8 HB2 LEU 8 6.009 -0.730 3.942 67 HB3 LEU 8 HB3 LEU 8 7.391 -0.891 2.871 68 HG LEU 8 HG LEU 8 6.517 0.679 1.287 69 HD11 LEU 8 HD11 LEU 8 3.972 0.623 2.937 70 HD12 LEU 8 HD12 LEU 8 4.348 1.890 1.732 71 HD13 LEU 8 HD13 LEU 8 4.164 0.212 1.224 72 HD21 LEU 8 HD21 LEU 8 7.698 1.595 3.188 73 HD22 LEU 8 HD22 LEU 8 6.351 2.690 2.828 74 HD23 LEU 8 HD23 LEU 8 6.227 1.573 4.190 75 H ASN 9 H ASN 9 6.499 -3.503 0.281 76 HA ASN 9 HA ASN 9 8.044 -5.234 2.143 77 HB2 ASN 9 HB2 ASN 9 5.942 -6.270 1.246 78 HB3 ASN 9 HB3 ASN 9 6.573 -6.067 -0.388 79 HD21 ASN 9 HD22 ASN 9 8.800 -7.155 -0.862 80 HD22 ASN 9 HD21 ASN 9 9.105 -8.603 0.002 81 H GLY 10 H GLY 10 9.730 -3.676 1.854 82 HA2 GLY 10 HA2 GLY 10 10.726 -3.098 -0.824 83 HA3 GLY 10 HA3 GLY 10 11.280 -2.456 0.726 84 H LYS 11 H LYS 11 13.227 -2.886 -0.686 85 HA LYS 11 HA LYS 11 14.307 -5.643 -0.453 86 HB2 LYS 11 HB2 LYS 11 16.020 -4.992 -1.934 87 HB3 LYS 11 HB3 LYS 11 14.523 -4.390 -2.612 88 HG2 LYS 11 HG2 LYS 11 16.184 -2.485 -0.936 89 HG3 LYS 11 HG3 LYS 11 16.814 -2.945 -2.497 90 HD2 LYS 11 HD2 LYS 11 15.174 -1.862 -3.691 91 HD3 LYS 11 HD3 LYS 11 13.977 -2.046 -2.403 92 HE2 LYS 11 HE2 LYS 11 15.111 -0.362 -1.027 93 HE3 LYS 11 HE3 LYS 11 16.381 -0.165 -2.244 94 HZ1 LYS 11 HZ1 LYS 11 13.587 0.258 -3.047 95 HZ2 LYS 11 HZ2 LYS 11 14.314 1.437 -2.180 96 HZ3 LYS 11 HZ3 LYS 11 14.922 0.918 -3.650 97 H THR 12 H THR 12 14.194 -3.063 1.577 98 HA THR 12 HA THR 12 16.656 -3.888 2.994 99 HB THR 12 HB THR 12 16.064 -1.103 1.921 100 HG1 THR 12 HG1 THR 12 17.413 -2.996 0.965 101 HG21 THR 12 HG21 THR 12 18.076 -0.275 3.083 102 HG22 THR 12 HG22 THR 12 16.793 -0.690 4.207 103 HG23 THR 12 HG23 THR 12 18.172 -1.801 4.004 104 H LEU 13 H LEU 13 13.412 -2.450 3.034 105 HA LEU 13 HA LEU 13 13.244 -2.918 5.872 106 HB2 LEU 13 HB2 LEU 13 12.508 -0.714 6.434 107 HB3 LEU 13 HB3 LEU 13 14.068 -0.584 5.678 108 HG LEU 13 HG LEU 13 12.822 1.241 4.961 109 HD11 LEU 13 HD11 LEU 13 12.613 -0.639 2.574 110 HD12 LEU 13 HD12 LEU 13 12.719 1.114 2.546 111 HD13 LEU 13 HD13 LEU 13 14.105 0.187 3.114 112 HD21 LEU 13 HD21 LEU 13 10.665 1.327 4.050 113 HD22 LEU 13 HD22 LEU 13 10.519 -0.418 3.900 114 HD23 LEU 13 HD23 LEU 13 10.551 0.336 5.513 115 H LYS 14 H LYS 14 10.916 -2.541 6.556 116 HA LYS 14 HA LYS 14 8.940 -2.846 4.415 117 HB2 LYS 14 HB2 LYS 14 9.191 -4.770 6.781 118 HB3 LYS 14 HB3 LYS 14 7.849 -4.714 5.634 119 HG2 LYS 14 HG2 LYS 14 9.691 -5.049 3.790 120 HG3 LYS 14 HG3 LYS 14 10.707 -5.570 5.143 121 HD2 LYS 14 HD2 LYS 14 8.838 -7.253 5.695 122 HD3 LYS 14 HD3 LYS 14 8.107 -6.791 4.146 123 HE2 LYS 14 HE2 LYS 14 10.383 -7.310 3.087 124 HE3 LYS 14 HE3 LYS 14 10.875 -7.994 4.640 125 HZ1 LYS 14 HZ1 LYS 14 8.676 -8.901 2.898 126 HZ2 LYS 14 HZ2 LYS 14 10.070 -9.712 3.210 127 HZ3 LYS 14 HZ3 LYS 14 8.913 -9.503 4.402 128 H GLY 15 H GLY 15 6.647 -2.626 5.422 129 HA2 GLY 15 HA2 GLY 15 6.460 -1.243 7.966 130 HA3 GLY 15 HA3 GLY 15 6.268 -0.166 6.568 131 H GLU 16 H GLU 16 4.133 -0.673 8.417 132 HA GLU 16 HA GLU 16 2.154 -1.845 6.571 133 HB2 GLU 16 HB2 GLU 16 2.934 -3.700 8.035 134 HB3 GLU 16 HB3 GLU 16 2.526 -2.736 9.458 135 HG2 GLU 16 HG2 GLU 16 0.114 -2.689 8.590 136 HG3 GLU 16 HG3 GLU 16 0.611 -3.840 7.356 137 H THR 17 H THR 17 0.610 -0.241 6.387 138 HA THR 17 HA THR 17 -0.250 1.307 8.775 139 HB THR 17 HB THR 17 -0.450 3.230 7.092 140 HG1 THR 17 HG1 THR 17 0.845 3.145 5.328 141 HG21 THR 17 HG21 THR 17 1.878 3.960 7.381 142 HG22 THR 17 HG22 THR 17 1.249 3.233 8.873 143 HG23 THR 17 HG23 THR 17 2.355 2.311 7.838 144 H THR 18 H THR 18 -2.495 2.446 8.159 145 HA THR 18 HA THR 18 -3.955 1.015 6.083 146 HB THR 18 HB THR 18 -3.962 -0.682 7.799 147 HG1 THR 18 HG1 THR 18 -6.522 0.471 7.912 148 HG21 THR 18 HG21 THR 18 -3.572 0.476 9.856 149 HG22 THR 18 HG22 THR 18 -5.094 1.370 9.724 150 HG23 THR 18 HG23 THR 18 -5.118 -0.382 9.978 151 H THR 19 H THR 19 -5.744 2.074 5.418 152 HA THR 19 HA THR 19 -6.998 4.183 6.933 153 HB THR 19 HB THR 19 -5.338 4.800 4.460 154 HG1 THR 19 HG1 THR 19 -4.774 4.995 6.906 155 HG21 THR 19 HG21 THR 19 -6.326 7.074 4.578 156 HG22 THR 19 HG22 THR 19 -7.484 5.846 4.044 157 HG23 THR 19 HG23 THR 19 -7.561 6.441 5.707 158 H GLU 20 H GLU 20 -9.187 4.354 6.249 159 HA GLU 20 HA GLU 20 -9.945 2.356 4.201 160 HB2 GLU 20 HB2 GLU 20 -12.146 2.451 5.044 161 HB3 GLU 20 HB3 GLU 20 -11.049 2.342 6.417 162 HG2 GLU 20 HG2 GLU 20 -11.293 4.940 6.565 163 HG3 GLU 20 HG3 GLU 20 -12.659 4.736 5.459 164 H ALA 21 H ALA 21 -10.892 2.856 2.257 165 HA ALA 21 HA ALA 21 -11.384 5.708 1.625 166 HB1 ALA 21 HB1 ALA 21 -9.990 5.624 -0.334 167 HB2 ALA 21 HB2 ALA 21 -8.992 5.211 1.060 168 HB3 ALA 21 HB3 ALA 21 -9.552 3.930 -0.045 169 H VAL 22 H VAL 22 -12.218 5.850 -0.715 170 HA VAL 22 HA VAL 22 -14.515 4.101 -0.843 171 HB VAL 22 HB VAL 22 -14.780 6.443 -1.218 172 HG11 VAL 22 HG11 VAL 22 -13.996 7.645 -3.186 173 HG12 VAL 22 HG12 VAL 22 -12.610 7.059 -2.263 174 HG13 VAL 22 HG13 VAL 22 -13.110 6.228 -3.753 175 HG21 VAL 22 HG21 VAL 22 -16.142 6.378 -3.247 176 HG22 VAL 22 HG22 VAL 22 -15.329 4.906 -3.782 177 HG23 VAL 22 HG23 VAL 22 -16.338 4.880 -2.318 178 H ASP 23 H ASP 23 -11.561 4.564 -2.879 179 HA ASP 23 HA ASP 23 -12.077 1.877 -4.005 180 HB2 ASP 23 HB2 ASP 23 -11.969 4.529 -5.408 181 HB3 ASP 23 HB3 ASP 23 -10.987 3.263 -6.119 182 H ALA 24 H ALA 24 -10.163 0.974 -4.989 183 HA ALA 24 HA ALA 24 -7.932 1.014 -3.266 184 HB1 ALA 24 HB1 ALA 24 -6.859 -0.410 -4.958 185 HB2 ALA 24 HB2 ALA 24 -8.554 -0.894 -4.777 186 HB3 ALA 24 HB3 ALA 24 -8.047 0.082 -6.169 187 H ALA 25 H ALA 25 -8.470 2.701 -6.390 188 HA ALA 25 HA ALA 25 -5.857 3.711 -6.698 189 HB1 ALA 25 HB1 ALA 25 -7.435 3.888 -8.482 190 HB2 ALA 25 HB2 ALA 25 -8.511 4.935 -7.516 191 HB3 ALA 25 HB3 ALA 25 -6.907 5.502 -8.061 192 H THR 26 H THR 26 -8.372 4.814 -4.393 193 HA THR 26 HA THR 26 -7.134 7.410 -3.967 194 HB THR 26 HB THR 26 -8.967 5.774 -2.181 195 HG1 THR 26 HG1 THR 26 -9.631 7.613 -4.240 196 HG21 THR 26 HG21 THR 26 -8.021 7.672 -0.986 197 HG22 THR 26 HG22 THR 26 -8.406 8.765 -2.323 198 HG23 THR 26 HG23 THR 26 -9.711 8.031 -1.364 199 H ALA 27 H ALA 27 -7.169 4.214 -2.283 200 HA ALA 27 HA ALA 27 -5.344 4.842 -0.245 201 HB1 ALA 27 HB1 ALA 27 -5.843 2.167 -1.633 202 HB2 ALA 27 HB2 ALA 27 -5.040 2.395 -0.071 203 HB3 ALA 27 HB3 ALA 27 -6.756 2.830 -0.261 204 H GLU 28 H GLU 28 -4.775 3.421 -3.428 205 HA GLU 28 HA GLU 28 -2.033 2.947 -3.409 206 HB2 GLU 28 HB2 GLU 28 -3.741 2.246 -5.115 207 HB3 GLU 28 HB3 GLU 28 -3.870 3.917 -5.627 208 HG2 GLU 28 HG2 GLU 28 -1.243 3.614 -6.074 209 HG3 GLU 28 HG3 GLU 28 -1.698 1.913 -6.171 210 H LYS 29 H LYS 29 -3.737 5.852 -4.685 211 HA LYS 29 HA LYS 29 -1.312 7.263 -5.151 212 HB2 LYS 29 HB2 LYS 29 -3.558 7.436 -6.303 213 HB3 LYS 29 HB3 LYS 29 -4.124 8.422 -4.944 214 HG2 LYS 29 HG2 LYS 29 -2.684 10.211 -5.528 215 HG3 LYS 29 HG3 LYS 29 -1.570 9.139 -6.403 216 HD2 LYS 29 HD2 LYS 29 -2.791 10.511 -7.995 217 HD3 LYS 29 HD3 LYS 29 -3.196 8.800 -8.187 218 HE2 LYS 29 HE2 LYS 29 -5.214 9.371 -6.579 219 HE3 LYS 29 HE3 LYS 29 -4.864 11.049 -7.015 220 HZ1 LYS 29 HZ1 LYS 29 -6.511 10.098 -8.466 221 HZ2 LYS 29 HZ2 LYS 29 -5.143 10.372 -9.349 222 HZ3 LYS 29 HZ3 LYS 29 -5.547 8.845 -8.875 223 H VAL 30 H VAL 30 -3.522 7.316 -2.326 224 HA VAL 30 HA VAL 30 -2.297 9.673 -1.197 225 HB VAL 30 HB VAL 30 -4.128 7.500 -0.134 226 HG11 VAL 30 HG11 VAL 30 -3.003 9.832 1.455 227 HG12 VAL 30 HG12 VAL 30 -4.447 8.894 1.916 228 HG13 VAL 30 HG13 VAL 30 -2.870 8.110 1.834 229 HG21 VAL 30 HG21 VAL 30 -5.762 9.334 -0.075 230 HG22 VAL 30 HG22 VAL 30 -4.511 10.511 -0.547 231 HG23 VAL 30 HG23 VAL 30 -5.044 9.271 -1.687 232 H PHE 31 H PHE 31 -1.947 6.134 -0.311 233 HA PHE 31 HA PHE 31 0.206 6.792 1.441 234 HB2 PHE 31 HB2 PHE 31 -0.952 4.216 0.420 235 HB3 PHE 31 HB3 PHE 31 0.613 4.197 1.198 236 HD1 PHE 31 HD2 PHE 31 0.681 5.830 3.451 237 HD2 PHE 31 HD1 PHE 31 -2.705 3.620 1.941 238 HE1 PHE 31 HE2 PHE 31 -0.249 5.707 5.730 239 HE2 PHE 31 HE1 PHE 31 -3.588 3.438 4.243 240 HZ PHE 31 HZ PHE 31 -2.386 4.506 6.146 241 H LYS 32 H LYS 32 0.323 6.719 -1.969 242 HA LYS 32 HA LYS 32 2.839 5.594 -2.492 243 HB2 LYS 32 HB2 LYS 32 1.283 6.420 -4.225 244 HB3 LYS 32 HB3 LYS 32 1.575 8.089 -3.703 245 HG2 LYS 32 HG2 LYS 32 3.957 7.874 -4.344 246 HG3 LYS 32 HG3 LYS 32 3.680 6.180 -4.810 247 HD2 LYS 32 HD2 LYS 32 2.127 6.888 -6.564 248 HD3 LYS 32 HD3 LYS 32 2.274 8.583 -6.059 249 HE2 LYS 32 HE2 LYS 32 4.733 8.496 -6.534 250 HE3 LYS 32 HE3 LYS 32 4.538 6.827 -7.079 251 HZ1 LYS 32 HZ1 LYS 32 3.638 9.274 -8.399 252 HZ2 LYS 32 HZ2 LYS 32 4.407 7.962 -9.013 253 HZ3 LYS 32 HZ3 LYS 32 2.808 7.872 -8.667 254 H GLN 33 H GLN 33 1.985 8.714 -1.143 255 HA GLN 33 HA GLN 33 4.367 10.137 -1.079 256 HB2 GLN 33 HB2 GLN 33 2.186 9.812 1.047 257 HB3 GLN 33 HB3 GLN 33 3.381 11.099 1.050 258 HG2 GLN 33 HG2 GLN 33 2.448 12.067 -0.958 259 HG3 GLN 33 HG3 GLN 33 1.265 10.754 -1.105 260 HE21 GLN 33 HE22 GLN 33 -0.120 10.430 1.013 261 HE22 GLN 33 HE21 GLN 33 -0.407 11.854 2.001 262 H TYR 34 H TYR 34 3.111 7.947 1.454 263 HA TYR 34 HA TYR 34 5.441 7.959 3.057 264 HB2 TYR 34 HB2 TYR 34 3.798 7.439 4.401 265 HB3 TYR 34 HB3 TYR 34 2.758 6.870 3.119 266 HD1 TYR 34 HD2 TYR 34 5.265 5.838 5.658 267 HD2 TYR 34 HD1 TYR 34 2.535 4.526 2.585 268 HE1 TYR 34 HE2 TYR 34 5.293 3.547 6.609 269 HE2 TYR 34 HE1 TYR 34 2.497 2.271 3.568 270 HH TYR 34 HH TYR 34 3.067 1.029 5.472 271 H ALA 35 H ALA 35 4.551 5.824 0.365 272 HA ALA 35 HA ALA 35 6.423 3.756 1.002 273 HB1 ALA 35 HB1 ALA 35 6.209 3.097 -1.354 274 HB2 ALA 35 HB2 ALA 35 4.620 3.434 -0.641 275 HB3 ALA 35 HB3 ALA 35 5.385 4.619 -1.733 276 H ASN 36 H ASN 36 6.732 6.550 -1.282 277 HA ASN 36 HA ASN 36 9.510 6.032 -1.719 278 HB2 ASN 36 HB2 ASN 36 8.068 7.519 -3.196 279 HB3 ASN 36 HB3 ASN 36 8.185 8.763 -1.947 280 HD21 ASN 36 HD22 ASN 36 9.337 10.093 -3.563 281 HD22 ASN 36 HD21 ASN 36 11.059 9.821 -3.835 282 H ASP 37 H ASP 37 7.808 8.002 0.692 283 HA ASP 37 HA ASP 37 10.105 9.338 1.728 284 HB2 ASP 37 HB2 ASP 37 7.772 10.066 2.073 285 HB3 ASP 37 HB3 ASP 37 7.483 8.626 3.067 286 H ASN 38 H ASN 38 9.223 6.027 1.945 287 HA ASN 38 HA ASN 38 10.972 5.644 4.314 288 HB2 ASN 38 HB2 ASN 38 8.441 4.906 4.254 289 HB3 ASN 38 HB3 ASN 38 9.070 3.561 3.300 290 HD21 ASN 38 HD22 ASN 38 8.180 2.309 5.195 291 HD22 ASN 38 HD21 ASN 38 9.237 2.108 6.587 292 H GLY 39 H GLY 39 11.259 5.635 1.045 293 HA2 GLY 39 HA2 GLY 39 13.062 4.900 -0.197 294 HA3 GLY 39 HA3 GLY 39 13.586 3.877 1.144 295 H VAL 40 H VAL 40 10.241 3.607 -0.154 296 HA VAL 40 HA VAL 40 11.019 1.006 -1.375 297 HB VAL 40 HB VAL 40 8.416 1.684 0.036 298 HG11 VAL 40 HG11 VAL 40 8.080 -0.808 -0.031 299 HG12 VAL 40 HG12 VAL 40 8.115 -0.083 -1.636 300 HG13 VAL 40 HG13 VAL 40 9.538 -0.947 -1.032 301 HG21 VAL 40 HG21 VAL 40 9.195 0.138 1.826 302 HG22 VAL 40 HG22 VAL 40 10.781 0.061 1.055 303 HG23 VAL 40 HG23 VAL 40 10.183 1.591 1.726 304 H ASP 41 H ASP 41 10.235 0.493 -3.350 305 HA ASP 41 HA ASP 41 8.067 1.951 -4.578 306 HB2 ASP 41 HB2 ASP 41 10.252 3.363 -4.992 307 HB3 ASP 41 HB3 ASP 41 10.713 2.087 -6.095 308 H GLY 42 H GLY 42 7.021 -0.041 -4.896 309 HA2 GLY 42 HA2 GLY 42 8.429 -1.992 -6.643 310 HA3 GLY 42 HA3 GLY 42 7.698 -2.506 -5.126 311 H GLU 43 H GLU 43 6.613 -3.927 -6.729 312 HA GLU 43 HA GLU 43 4.622 -2.762 -8.450 313 HB2 GLU 43 HB2 GLU 43 5.966 -4.836 -8.837 314 HB3 GLU 43 HB3 GLU 43 4.884 -5.679 -7.716 315 HG2 GLU 43 HG2 GLU 43 2.986 -5.268 -9.103 316 HG3 GLU 43 HG3 GLU 43 3.804 -3.996 -10.021 317 H TRP 44 H TRP 44 2.960 -1.741 -7.523 318 HA TRP 44 HA TRP 44 1.799 -2.387 -4.946 319 HB2 TRP 44 HB2 TRP 44 0.981 -0.528 -7.229 320 HB3 TRP 44 HB3 TRP 44 0.051 -0.704 -5.765 321 HD1 TRP 44 HD1 TRP 44 3.644 0.408 -6.691 322 HE1 TRP 44 HE1 TRP 44 4.373 2.284 -5.098 323 HE3 TRP 44 HE3 TRP 44 -0.530 0.644 -3.709 324 HZ2 TRP 44 HZ2 TRP 44 3.411 3.537 -2.778 325 HZ3 TRP 44 HZ3 TRP 44 -0.581 2.262 -1.818 326 HH2 TRP 44 HH2 TRP 44 1.386 3.656 -1.303 327 H THR 45 H THR 45 0.431 -4.141 -4.654 328 HA THR 45 HA THR 45 -1.515 -4.807 -6.803 329 HB THR 45 HB THR 45 0.140 -6.830 -5.266 330 HG1 THR 45 HG1 THR 45 1.277 -5.472 -6.796 331 HG21 THR 45 HG21 THR 45 -1.674 -7.090 -7.707 332 HG22 THR 45 HG22 THR 45 -0.650 -8.378 -7.051 333 HG23 THR 45 HG23 THR 45 -2.002 -7.749 -6.085 334 H TYR 46 H TYR 46 -3.563 -5.340 -5.999 335 HA TYR 46 HA TYR 46 -3.963 -4.999 -3.098 336 HB2 TYR 46 HB2 TYR 46 -6.130 -4.136 -3.635 337 HB3 TYR 46 HB3 TYR 46 -4.913 -3.247 -4.530 338 HD1 TYR 46 HD1 TYR 46 -4.692 -3.520 -7.013 339 HD2 TYR 46 HD2 TYR 46 -7.744 -5.610 -4.767 340 HE1 TYR 46 HE1 TYR 46 -5.838 -4.128 -9.118 341 HE2 TYR 46 HE2 TYR 46 -8.886 -6.212 -6.867 342 HH TYR 46 HH TYR 46 -8.518 -6.370 -9.271 343 H ASP 47 H ASP 47 -5.461 -6.206 -2.011 344 HA ASP 47 HA ASP 47 -6.425 -8.776 -3.146 345 HB2 ASP 47 HB2 ASP 47 -4.365 -9.182 -1.931 346 HB3 ASP 47 HB3 ASP 47 -4.916 -8.197 -0.578 347 H ASP 48 H ASP 48 -8.627 -8.247 -3.207 348 HA ASP 48 HA ASP 48 -9.804 -6.393 -1.305 349 HB2 ASP 48 HB2 ASP 48 -11.666 -6.388 -2.581 350 HB3 ASP 48 HB3 ASP 48 -10.493 -6.853 -3.806 351 H ALA 49 H ALA 49 -9.455 -9.883 -1.410 352 HA ALA 49 HA ALA 49 -11.676 -10.443 0.367 353 HB1 ALA 49 HB1 ALA 49 -10.864 -12.130 -1.222 354 HB2 ALA 49 HB2 ALA 49 -9.273 -12.145 -0.424 355 HB3 ALA 49 HB3 ALA 49 -10.712 -12.715 0.447 356 H THR 50 H THR 50 -8.089 -10.517 0.780 357 HA THR 50 HA THR 50 -8.320 -10.649 3.667 358 HB THR 50 HB THR 50 -5.812 -10.027 2.115 359 HG1 THR 50 HG1 THR 50 -6.004 -11.724 1.065 360 HG21 THR 50 HG21 THR 50 -6.332 -11.786 4.556 361 HG22 THR 50 HG22 THR 50 -4.755 -11.490 3.790 362 HG23 THR 50 HG23 THR 50 -5.605 -10.160 4.574 363 H LYS 51 H LYS 51 -8.416 -8.109 1.363 364 HA LYS 51 HA LYS 51 -8.516 -5.886 1.451 365 HB2 LYS 51 HB2 LYS 51 -9.096 -6.296 4.390 366 HB3 LYS 51 HB3 LYS 51 -9.272 -4.768 3.528 367 HG2 LYS 51 HG2 LYS 51 -11.040 -5.485 2.217 368 HG3 LYS 51 HG3 LYS 51 -10.671 -7.196 2.409 369 HD2 LYS 51 HD2 LYS 51 -11.706 -5.486 4.690 370 HD3 LYS 51 HD3 LYS 51 -12.706 -6.466 3.596 371 HE2 LYS 51 HE2 LYS 51 -11.211 -8.464 4.173 372 HE3 LYS 51 HE3 LYS 51 -10.543 -7.470 5.481 373 HZ1 LYS 51 HZ1 LYS 51 -12.302 -8.781 6.322 374 HZ2 LYS 51 HZ2 LYS 51 -12.815 -7.267 6.353 375 HZ3 LYS 51 HZ3 LYS 51 -13.368 -8.254 5.144 376 H THR 52 H THR 52 -6.162 -6.602 0.965 377 HA THR 52 HA THR 52 -4.371 -4.907 2.584 378 HB THR 52 HB THR 52 -2.660 -6.856 1.896 379 HG1 THR 52 HG1 THR 52 -3.627 -8.864 1.881 380 HG21 THR 52 HG21 THR 52 -4.600 -7.123 4.248 381 HG22 THR 52 HG22 THR 52 -2.983 -7.852 4.119 382 HG23 THR 52 HG23 THR 52 -3.153 -6.092 4.211 383 H PHE 53 H PHE 53 -2.556 -4.098 1.417 384 HA PHE 53 HA PHE 53 -2.686 -4.173 -1.516 385 HB2 PHE 53 HB2 PHE 53 -3.778 -2.058 -0.175 386 HB3 PHE 53 HB3 PHE 53 -2.098 -1.573 -0.155 387 HD1 PHE 53 HD2 PHE 53 -1.343 -2.678 -2.994 388 HD2 PHE 53 HD1 PHE 53 -4.643 -0.319 -1.516 389 HE1 PHE 53 HE2 PHE 53 -1.807 -1.860 -5.284 390 HE2 PHE 53 HE1 PHE 53 -5.023 0.546 -3.786 391 HZ PHE 53 HZ PHE 53 -3.629 -0.227 -5.690 392 H THR 54 H THR 54 -0.599 -4.935 -2.002 393 HA THR 54 HA THR 54 1.567 -4.331 -0.052 394 HB THR 54 HB THR 54 1.074 -6.841 -1.654 395 HG1 THR 54 HG1 THR 54 0.542 -7.699 0.343 396 HG21 THR 54 HG21 THR 54 3.172 -6.218 0.476 397 HG22 THR 54 HG22 THR 54 2.866 -7.814 -0.246 398 HG23 THR 54 HG23 THR 54 3.488 -6.502 -1.245 399 H VAL 55 H VAL 55 3.427 -3.574 -0.775 400 HA VAL 55 HA VAL 55 3.774 -3.024 -3.691 401 HB VAL 55 HB VAL 55 4.913 -1.552 -1.247 402 HG11 VAL 55 HG11 VAL 55 6.289 -1.333 -3.260 403 HG12 VAL 55 HG12 VAL 55 4.866 -0.831 -4.210 404 HG13 VAL 55 HG13 VAL 55 5.481 0.199 -2.897 405 HG21 VAL 55 HG21 VAL 55 2.511 -0.884 -2.979 406 HG22 VAL 55 HG22 VAL 55 2.535 -1.175 -1.234 407 HG23 VAL 55 HG23 VAL 55 3.307 0.268 -1.878 408 H THR 56 H THR 56 4.966 -4.810 -4.339 409 HA THR 56 HA THR 56 7.152 -5.842 -2.621 410 HB THR 56 HB THR 56 5.838 -7.044 -5.085 411 HG1 THR 56 HG1 THR 56 4.262 -7.265 -3.753 412 HG21 THR 56 HG21 THR 56 7.496 -8.339 -2.870 413 HG22 THR 56 HG22 THR 56 6.720 -9.162 -4.243 414 HG23 THR 56 HG23 THR 56 8.053 -8.033 -4.533 415 H GLU 57 H GLU 57 9.096 -4.911 -2.980 416 HA GLU 57 HA GLU 57 9.846 -3.989 -5.717 417 HB2 GLU 57 HB2 GLU 57 9.772 -2.296 -3.944 418 HB3 GLU 57 HB3 GLU 57 10.860 -3.261 -2.948 419 HG2 GLU 57 HG2 GLU 57 12.677 -2.968 -4.485 420 HG3 GLU 57 HG3 GLU 57 11.636 -2.255 -5.715 Start of MODEL 11 1 H1 MET 1 H MET 1 -15.421 1.840 -2.416 2 HA MET 1 HA MET 1 -13.984 2.449 -0.505 3 HB2 MET 1 HB2 MET 1 -16.075 3.655 -0.693 4 HB3 MET 1 HB3 MET 1 -16.968 2.333 0.086 5 HG2 MET 1 HG2 MET 1 -15.584 2.715 2.149 6 HG3 MET 1 HG3 MET 1 -14.793 4.066 1.333 7 HE1 MET 1 HE1 MET 1 -16.186 4.086 4.202 8 HE2 MET 1 HE2 MET 1 -15.319 5.454 3.475 9 HE3 MET 1 HE3 MET 1 -16.952 5.682 4.146 10 H GLY 2 H GLY 2 -12.716 1.307 0.836 11 HA2 GLY 2 HA2 GLY 2 -13.830 -0.291 2.959 12 HA3 GLY 2 HA3 GLY 2 -12.924 -1.225 1.759 13 H THR 3 H THR 3 -11.803 -1.298 4.168 14 HA THR 3 HA THR 3 -9.823 0.888 4.446 15 HB THR 3 HB THR 3 -10.449 -1.437 6.308 16 HG1 THR 3 HG1 THR 3 -12.239 -0.289 6.273 17 HG21 THR 3 HG21 THR 3 -9.349 -0.005 7.987 18 HG22 THR 3 HG22 THR 3 -8.251 -0.375 6.650 19 HG23 THR 3 HG23 THR 3 -9.021 1.226 6.740 20 H TYR 4 H TYR 4 -8.208 0.510 2.962 21 HA TYR 4 HA TYR 4 -7.347 -2.284 2.486 22 HB2 TYR 4 HB2 TYR 4 -6.656 0.363 1.174 23 HB3 TYR 4 HB3 TYR 4 -5.798 -1.128 0.840 24 HD1 TYR 4 HD1 TYR 4 -7.427 -3.245 0.238 25 HD2 TYR 4 HD2 TYR 4 -8.321 0.937 -0.380 26 HE1 TYR 4 HE1 TYR 4 -8.881 -3.838 -1.658 27 HE2 TYR 4 HE2 TYR 4 -9.804 0.341 -2.243 28 HH TYR 4 HH TYR 4 -10.723 -1.372 -3.533 29 H LYS 5 H LYS 5 -5.875 -3.114 3.739 30 HA LYS 5 HA LYS 5 -4.212 -1.525 5.536 31 HB2 LYS 5 HB2 LYS 5 -5.117 -3.749 6.175 32 HB3 LYS 5 HB3 LYS 5 -4.263 -4.499 4.819 33 HG2 LYS 5 HG2 LYS 5 -2.088 -3.790 5.785 34 HG3 LYS 5 HG3 LYS 5 -2.951 -2.985 7.104 35 HD2 LYS 5 HD2 LYS 5 -3.821 -5.131 7.896 36 HD3 LYS 5 HD3 LYS 5 -3.074 -5.977 6.515 37 HE2 LYS 5 HE2 LYS 5 -0.839 -5.136 7.239 38 HE3 LYS 5 HE3 LYS 5 -1.600 -4.365 8.639 39 HZ1 LYS 5 HZ1 LYS 5 -1.542 -7.270 8.097 40 HZ2 LYS 5 HZ2 LYS 5 -0.622 -6.432 9.173 41 HZ3 LYS 5 HZ3 LYS 5 -2.243 -6.513 9.430 42 H LEU 6 H LEU 6 -2.183 -0.744 4.961 43 HA LEU 6 HA LEU 6 -1.111 -1.484 2.313 44 HB2 LEU 6 HB2 LEU 6 -1.605 0.906 3.118 45 HB3 LEU 6 HB3 LEU 6 -0.237 0.722 4.196 46 HG LEU 6 HG LEU 6 0.499 1.950 2.339 47 HD11 LEU 6 HD11 LEU 6 2.273 0.808 1.353 48 HD12 LEU 6 HD12 LEU 6 2.095 0.069 2.953 49 HD13 LEU 6 HD13 LEU 6 1.505 -0.769 1.492 50 HD21 LEU 6 HD21 LEU 6 0.285 1.203 -0.015 51 HD22 LEU 6 HD22 LEU 6 -0.729 -0.155 0.521 52 HD23 LEU 6 HD23 LEU 6 -1.279 1.506 0.748 53 H ILE 7 H ILE 7 0.700 -2.753 2.197 54 HA ILE 7 HA ILE 7 2.394 -3.097 4.618 55 HB ILE 7 HB ILE 7 1.691 -5.305 2.641 56 HG12 ILE 7 HG12 ILE 7 0.861 -6.325 4.982 57 HG13 ILE 7 HG13 ILE 7 0.588 -4.629 5.378 58 HG21 ILE 7 HG21 ILE 7 3.989 -5.476 3.523 59 HG22 ILE 7 HG22 ILE 7 3.388 -5.279 5.184 60 HG23 ILE 7 HG23 ILE 7 2.977 -6.725 4.241 61 HD11 ILE 7 HD11 ILE 7 -0.535 -6.184 3.005 62 HD12 ILE 7 HD12 ILE 7 -1.411 -5.730 4.479 63 HD13 ILE 7 HD13 ILE 7 -0.892 -4.480 3.337 64 H LEU 8 H LEU 8 4.415 -2.538 4.231 65 HA LEU 8 HA LEU 8 5.271 -1.957 1.434 66 HB2 LEU 8 HB2 LEU 8 5.447 -0.483 3.903 67 HB3 LEU 8 HB3 LEU 8 7.066 -1.089 3.569 68 HG LEU 8 HG LEU 8 6.956 -0.105 1.295 69 HD11 LEU 8 HD11 LEU 8 5.262 1.585 0.773 70 HD12 LEU 8 HD12 LEU 8 4.486 0.022 1.013 71 HD13 LEU 8 HD13 LEU 8 4.419 1.245 2.300 72 HD21 LEU 8 HD21 LEU 8 7.989 1.059 3.258 73 HD22 LEU 8 HD22 LEU 8 7.337 2.184 2.063 74 HD23 LEU 8 HD23 LEU 8 6.429 1.875 3.559 75 H ASN 9 H ASN 9 6.367 -3.678 0.555 76 HA ASN 9 HA ASN 9 8.079 -5.332 2.345 77 HB2 ASN 9 HB2 ASN 9 6.090 -6.577 1.570 78 HB3 ASN 9 HB3 ASN 9 6.510 -6.217 -0.106 79 HD21 ASN 9 HD22 ASN 9 8.630 -7.201 -0.985 80 HD22 ASN 9 HD21 ASN 9 9.113 -8.681 -0.286 81 H GLY 10 H GLY 10 9.706 -3.725 1.988 82 HA2 GLY 10 HA2 GLY 10 10.542 -3.147 -0.759 83 HA3 GLY 10 HA3 GLY 10 11.184 -2.472 0.749 84 H LYS 11 H LYS 11 12.982 -3.227 -1.040 85 HA LYS 11 HA LYS 11 13.850 -5.987 -0.453 86 HB2 LYS 11 HB2 LYS 11 15.352 -5.844 -2.179 87 HB3 LYS 11 HB3 LYS 11 13.940 -4.983 -2.771 88 HG2 LYS 11 HG2 LYS 11 16.575 -3.755 -1.835 89 HG3 LYS 11 HG3 LYS 11 15.990 -3.942 -3.487 90 HD2 LYS 11 HD2 LYS 11 13.987 -2.480 -2.750 91 HD3 LYS 11 HD3 LYS 11 15.022 -2.027 -1.372 92 HE2 LYS 11 HE2 LYS 11 16.775 -1.271 -2.917 93 HE3 LYS 11 HE3 LYS 11 15.831 -1.835 -4.306 94 HZ1 LYS 11 HZ1 LYS 11 14.141 -0.200 -3.752 95 HZ2 LYS 11 HZ2 LYS 11 15.057 0.378 -2.506 96 HZ3 LYS 11 HZ3 LYS 11 15.577 0.485 -4.079 97 H THR 12 H THR 12 14.169 -3.144 1.161 98 HA THR 12 HA THR 12 16.637 -4.085 2.529 99 HB THR 12 HB THR 12 16.112 -1.197 1.712 100 HG1 THR 12 HG1 THR 12 18.075 -2.900 0.584 101 HG21 THR 12 HG21 THR 12 18.622 -2.518 2.822 102 HG22 THR 12 HG22 THR 12 18.517 -0.848 2.214 103 HG23 THR 12 HG23 THR 12 17.603 -1.315 3.652 104 H LEU 13 H LEU 13 13.432 -2.545 2.751 105 HA LEU 13 HA LEU 13 13.483 -2.858 5.613 106 HB2 LEU 13 HB2 LEU 13 12.887 -0.648 6.206 107 HB3 LEU 13 HB3 LEU 13 14.365 -0.560 5.295 108 HG LEU 13 HG LEU 13 13.081 1.289 4.729 109 HD11 LEU 13 HD11 LEU 13 12.704 -0.542 2.351 110 HD12 LEU 13 HD12 LEU 13 12.803 1.226 2.360 111 HD13 LEU 13 HD13 LEU 13 14.223 0.273 2.807 112 HD21 LEU 13 HD21 LEU 13 10.844 1.424 3.998 113 HD22 LEU 13 HD22 LEU 13 10.672 -0.322 3.840 114 HD23 LEU 13 HD23 LEU 13 10.839 0.425 5.450 115 H LYS 14 H LYS 14 11.198 -2.322 6.480 116 HA LYS 14 HA LYS 14 9.080 -2.811 4.472 117 HB2 LYS 14 HB2 LYS 14 9.512 -4.436 7.019 118 HB3 LYS 14 HB3 LYS 14 8.045 -4.455 6.042 119 HG2 LYS 14 HG2 LYS 14 9.471 -5.143 4.045 120 HG3 LYS 14 HG3 LYS 14 10.806 -5.406 5.179 121 HD2 LYS 14 HD2 LYS 14 9.363 -6.964 6.482 122 HD3 LYS 14 HD3 LYS 14 8.039 -6.671 5.330 123 HE2 LYS 14 HE2 LYS 14 9.769 -7.428 3.525 124 HE3 LYS 14 HE3 LYS 14 10.666 -8.128 4.879 125 HZ1 LYS 14 HZ1 LYS 14 7.866 -8.691 4.106 126 HZ2 LYS 14 HZ2 LYS 14 9.123 -9.699 3.867 127 HZ3 LYS 14 HZ3 LYS 14 8.575 -9.393 5.400 128 H GLY 15 H GLY 15 6.846 -2.531 5.497 129 HA2 GLY 15 HA2 GLY 15 6.702 -0.833 7.863 130 HA3 GLY 15 HA3 GLY 15 6.352 -0.020 6.334 131 H GLU 16 H GLU 16 4.365 -0.371 8.383 132 HA GLU 16 HA GLU 16 2.339 -1.885 6.873 133 HB2 GLU 16 HB2 GLU 16 3.346 -3.561 8.393 134 HB3 GLU 16 HB3 GLU 16 3.078 -2.496 9.773 135 HG2 GLU 16 HG2 GLU 16 0.613 -2.644 9.376 136 HG3 GLU 16 HG3 GLU 16 0.914 -3.708 8.002 137 H THR 17 H THR 17 0.677 -0.418 6.694 138 HA THR 17 HA THR 17 -0.199 1.151 9.045 139 HB THR 17 HB THR 17 -0.439 3.135 7.509 140 HG1 THR 17 HG1 THR 17 1.084 3.066 5.732 141 HG21 THR 17 HG21 THR 17 2.444 2.244 7.906 142 HG22 THR 17 HG22 THR 17 1.861 3.901 7.680 143 HG23 THR 17 HG23 THR 17 1.429 3.006 9.146 144 H THR 18 H THR 18 -2.443 2.388 8.084 145 HA THR 18 HA THR 18 -3.871 0.758 6.195 146 HB THR 18 HB THR 18 -4.035 -0.787 8.002 147 HG1 THR 18 HG1 THR 18 -6.462 0.624 8.108 148 HG21 THR 18 HG21 THR 18 -5.054 -0.277 10.198 149 HG22 THR 18 HG22 THR 18 -3.481 0.492 9.976 150 HG23 THR 18 HG23 THR 18 -4.961 1.461 9.832 151 H THR 19 H THR 19 -5.576 1.973 5.351 152 HA THR 19 HA THR 19 -6.626 4.275 6.734 153 HB THR 19 HB THR 19 -4.847 4.593 4.316 154 HG1 THR 19 HG1 THR 19 -4.383 4.846 6.809 155 HG21 THR 19 HG21 THR 19 -5.507 7.000 4.289 156 HG22 THR 19 HG22 THR 19 -6.836 5.939 3.810 157 HG23 THR 19 HG23 THR 19 -6.807 6.631 5.443 158 H GLU 20 H GLU 20 -8.708 4.802 5.977 159 HA GLU 20 HA GLU 20 -9.819 2.897 3.980 160 HB2 GLU 20 HB2 GLU 20 -11.976 3.428 4.892 161 HB3 GLU 20 HB3 GLU 20 -10.881 2.995 6.205 162 HG2 GLU 20 HG2 GLU 20 -10.522 5.538 6.549 163 HG3 GLU 20 HG3 GLU 20 -11.869 5.777 5.423 164 H ALA 21 H ALA 21 -10.787 3.677 2.085 165 HA ALA 21 HA ALA 21 -10.877 6.598 1.652 166 HB1 ALA 21 HB1 ALA 21 -9.519 6.535 -0.306 167 HB2 ALA 21 HB2 ALA 21 -8.577 5.789 0.986 168 HB3 ALA 21 HB3 ALA 21 -9.359 4.763 -0.242 169 H VAL 22 H VAL 22 -11.922 7.113 -0.463 170 HA VAL 22 HA VAL 22 -14.370 5.726 -0.726 171 HB VAL 22 HB VAL 22 -14.174 8.061 -1.239 172 HG11 VAL 22 HG11 VAL 22 -13.093 8.969 -3.232 173 HG12 VAL 22 HG12 VAL 22 -11.905 8.231 -2.159 174 HG13 VAL 22 HG13 VAL 22 -12.427 7.375 -3.631 175 HG21 VAL 22 HG21 VAL 22 -15.453 8.204 -3.265 176 HG22 VAL 22 HG22 VAL 22 -14.847 6.637 -3.837 177 HG23 VAL 22 HG23 VAL 22 -15.914 6.717 -2.420 178 H ASP 23 H ASP 23 -11.294 5.376 -2.645 179 HA ASP 23 HA ASP 23 -12.279 2.803 -3.560 180 HB2 ASP 23 HB2 ASP 23 -12.869 4.896 -5.201 181 HB3 ASP 23 HB3 ASP 23 -11.236 4.532 -5.768 182 H ALA 24 H ALA 24 -10.476 1.678 -4.784 183 HA ALA 24 HA ALA 24 -8.123 1.565 -3.249 184 HB1 ALA 24 HB1 ALA 24 -7.254 0.112 -5.035 185 HB2 ALA 24 HB2 ALA 24 -8.930 -0.308 -4.641 186 HB3 ALA 24 HB3 ALA 24 -8.551 0.600 -6.115 187 H ALA 25 H ALA 25 -8.714 3.268 -6.323 188 HA ALA 25 HA ALA 25 -6.074 4.058 -6.914 189 HB1 ALA 25 HB1 ALA 25 -7.954 4.364 -8.452 190 HB2 ALA 25 HB2 ALA 25 -8.718 5.536 -7.352 191 HB3 ALA 25 HB3 ALA 25 -7.178 5.935 -8.133 192 H THR 26 H THR 26 -8.502 5.638 -4.744 193 HA THR 26 HA THR 26 -6.929 7.928 -4.135 194 HB THR 26 HB THR 26 -9.015 6.544 -2.406 195 HG1 THR 26 HG1 THR 26 -9.670 8.456 -4.349 196 HG21 THR 26 HG21 THR 26 -7.908 8.466 -1.335 197 HG22 THR 26 HG22 THR 26 -8.291 9.488 -2.732 198 HG23 THR 26 HG23 THR 26 -9.594 8.843 -1.704 199 H ALA 27 H ALA 27 -7.462 4.778 -2.476 200 HA ALA 27 HA ALA 27 -5.833 5.235 -0.247 201 HB1 ALA 27 HB1 ALA 27 -6.527 2.655 -1.696 202 HB2 ALA 27 HB2 ALA 27 -5.736 2.739 -0.118 203 HB3 ALA 27 HB3 ALA 27 -7.374 3.384 -0.314 204 H GLU 28 H GLU 28 -4.997 3.780 -3.367 205 HA GLU 28 HA GLU 28 -2.271 3.223 -2.914 206 HB2 GLU 28 HB2 GLU 28 -3.690 2.277 -4.701 207 HB3 GLU 28 HB3 GLU 28 -3.903 3.875 -5.388 208 HG2 GLU 28 HG2 GLU 28 -1.106 3.502 -5.393 209 HG3 GLU 28 HG3 GLU 28 -1.747 1.917 -5.781 210 H LYS 29 H LYS 29 -3.777 6.032 -4.636 211 HA LYS 29 HA LYS 29 -1.348 7.412 -5.082 212 HB2 LYS 29 HB2 LYS 29 -3.585 7.799 -6.177 213 HB3 LYS 29 HB3 LYS 29 -4.116 8.630 -4.709 214 HG2 LYS 29 HG2 LYS 29 -2.458 10.386 -5.043 215 HG3 LYS 29 HG3 LYS 29 -1.648 9.449 -6.312 216 HD2 LYS 29 HD2 LYS 29 -2.957 11.201 -7.346 217 HD3 LYS 29 HD3 LYS 29 -3.667 9.629 -7.743 218 HE2 LYS 29 HE2 LYS 29 -5.307 9.987 -5.823 219 HE3 LYS 29 HE3 LYS 29 -4.646 11.622 -5.642 220 HZ1 LYS 29 HZ1 LYS 29 -6.600 11.646 -6.979 221 HZ2 LYS 29 HZ2 LYS 29 -5.318 12.023 -7.957 222 HZ3 LYS 29 HZ3 LYS 29 -6.005 10.533 -8.031 223 H VAL 30 H VAL 30 -3.537 7.618 -2.223 224 HA VAL 30 HA VAL 30 -2.039 9.784 -1.053 225 HB VAL 30 HB VAL 30 -4.023 7.795 0.068 226 HG11 VAL 30 HG11 VAL 30 -2.587 8.518 1.950 227 HG12 VAL 30 HG12 VAL 30 -2.826 10.217 1.490 228 HG13 VAL 30 HG13 VAL 30 -4.189 9.237 2.072 229 HG21 VAL 30 HG21 VAL 30 -4.892 9.531 -1.554 230 HG22 VAL 30 HG22 VAL 30 -5.547 9.736 0.074 231 HG23 VAL 30 HG23 VAL 30 -4.248 10.794 -0.500 232 H PHE 31 H PHE 31 -2.076 6.185 -0.284 233 HA PHE 31 HA PHE 31 0.151 6.537 1.431 234 HB2 PHE 31 HB2 PHE 31 -1.185 4.130 0.238 235 HB3 PHE 31 HB3 PHE 31 0.416 3.933 0.912 236 HD1 PHE 31 HD2 PHE 31 0.465 5.701 3.318 237 HD2 PHE 31 HD1 PHE 31 -2.587 3.029 1.819 238 HE1 PHE 31 HE2 PHE 31 -0.364 5.384 5.590 239 HE2 PHE 31 HE1 PHE 31 -3.352 2.654 4.138 240 HZ PHE 31 HZ PHE 31 -2.257 3.861 6.033 241 H LYS 32 H LYS 32 0.219 6.637 -2.020 242 HA LYS 32 HA LYS 32 2.829 5.530 -2.284 243 HB2 LYS 32 HB2 LYS 32 1.161 6.085 -4.154 244 HB3 LYS 32 HB3 LYS 32 1.781 7.747 -4.088 245 HG2 LYS 32 HG2 LYS 32 4.019 6.966 -4.629 246 HG3 LYS 32 HG3 LYS 32 3.565 5.295 -4.305 247 HD2 LYS 32 HD2 LYS 32 1.917 5.522 -6.279 248 HD3 LYS 32 HD3 LYS 32 2.880 6.949 -6.727 249 HE2 LYS 32 HE2 LYS 32 4.923 5.574 -6.814 250 HE3 LYS 32 HE3 LYS 32 4.052 4.184 -6.172 251 HZ1 LYS 32 HZ1 LYS 32 3.734 5.402 -8.838 252 HZ2 LYS 32 HZ2 LYS 32 4.222 3.886 -8.474 253 HZ3 LYS 32 HZ3 LYS 32 2.669 4.287 -8.218 254 H GLN 33 H GLN 33 1.735 8.493 -0.823 255 HA GLN 33 HA GLN 33 4.147 10.055 -1.045 256 HB2 GLN 33 HB2 GLN 33 1.976 9.896 1.119 257 HB3 GLN 33 HB3 GLN 33 3.300 11.052 1.152 258 HG2 GLN 33 HG2 GLN 33 2.518 12.090 -0.911 259 HG3 GLN 33 HG3 GLN 33 1.198 10.912 -1.045 260 HE21 GLN 33 HE22 GLN 33 2.396 13.799 0.682 261 HE22 GLN 33 HE21 GLN 33 1.005 14.019 1.690 262 H TYR 34 H TYR 34 2.855 7.975 1.561 263 HA TYR 34 HA TYR 34 5.080 7.761 3.215 264 HB2 TYR 34 HB2 TYR 34 3.076 7.100 4.121 265 HB3 TYR 34 HB3 TYR 34 2.571 6.218 2.704 266 HD1 TYR 34 HD2 TYR 34 5.297 5.978 5.318 267 HD2 TYR 34 HD1 TYR 34 2.322 3.937 2.941 268 HE1 TYR 34 HE2 TYR 34 5.725 3.899 6.580 269 HE2 TYR 34 HE1 TYR 34 2.744 1.854 4.217 270 HH TYR 34 HH TYR 34 4.677 1.695 7.080 271 H ALA 35 H ALA 35 4.181 5.592 0.457 272 HA ALA 35 HA ALA 35 6.255 3.718 0.886 273 HB1 ALA 35 HB1 ALA 35 5.954 3.114 -1.486 274 HB2 ALA 35 HB2 ALA 35 4.380 3.368 -0.700 275 HB3 ALA 35 HB3 ALA 35 5.059 4.614 -1.774 276 H ASN 36 H ASN 36 6.243 6.543 -1.317 277 HA ASN 36 HA ASN 36 8.948 6.376 -2.092 278 HB2 ASN 36 HB2 ASN 36 7.112 7.728 -3.192 279 HB3 ASN 36 HB3 ASN 36 7.214 8.888 -1.863 280 HD21 ASN 36 HD22 ASN 36 9.225 7.224 -4.303 281 HD22 ASN 36 HD21 ASN 36 10.380 8.520 -4.547 282 H ASP 37 H ASP 37 7.423 8.064 0.620 283 HA ASP 37 HA ASP 37 9.742 9.448 1.601 284 HB2 ASP 37 HB2 ASP 37 7.380 10.159 1.793 285 HB3 ASP 37 HB3 ASP 37 7.088 8.797 2.893 286 H ASN 38 H ASN 38 8.891 6.147 1.800 287 HA ASN 38 HA ASN 38 10.475 5.841 4.307 288 HB2 ASN 38 HB2 ASN 38 8.032 5.080 4.260 289 HB3 ASN 38 HB3 ASN 38 8.583 3.783 3.193 290 HD21 ASN 38 HD22 ASN 38 7.798 2.347 4.961 291 HD22 ASN 38 HD21 ASN 38 8.769 2.133 6.409 292 H GLY 39 H GLY 39 10.800 5.581 0.996 293 HA2 GLY 39 HA2 GLY 39 12.760 4.919 -0.095 294 HA3 GLY 39 HA3 GLY 39 13.254 3.986 1.313 295 H VAL 40 H VAL 40 10.029 3.570 -0.310 296 HA VAL 40 HA VAL 40 11.039 1.011 -1.422 297 HB VAL 40 HB VAL 40 8.368 1.368 -0.015 298 HG11 VAL 40 HG11 VAL 40 8.206 -0.337 -1.739 299 HG12 VAL 40 HG12 VAL 40 9.746 -1.059 -1.249 300 HG13 VAL 40 HG13 VAL 40 8.327 -1.175 -0.197 301 HG21 VAL 40 HG21 VAL 40 10.108 1.361 1.694 302 HG22 VAL 40 HG22 VAL 40 9.324 -0.224 1.694 303 HG23 VAL 40 HG23 VAL 40 10.903 -0.031 0.931 304 H ASP 41 H ASP 41 10.089 0.366 -3.342 305 HA ASP 41 HA ASP 41 7.989 1.913 -4.613 306 HB2 ASP 41 HB2 ASP 41 10.345 3.127 -4.928 307 HB3 ASP 41 HB3 ASP 41 10.669 1.842 -6.066 308 H GLY 42 H GLY 42 6.864 -0.067 -4.912 309 HA2 GLY 42 HA2 GLY 42 8.237 -2.118 -6.564 310 HA3 GLY 42 HA3 GLY 42 7.492 -2.572 -5.023 311 H GLU 43 H GLU 43 6.541 -3.952 -6.945 312 HA GLU 43 HA GLU 43 4.516 -2.719 -8.504 313 HB2 GLU 43 HB2 GLU 43 5.871 -4.905 -8.865 314 HB3 GLU 43 HB3 GLU 43 4.672 -5.690 -7.848 315 HG2 GLU 43 HG2 GLU 43 4.129 -5.952 -10.225 316 HG3 GLU 43 HG3 GLU 43 2.903 -4.948 -9.439 317 H TRP 44 H TRP 44 2.869 -1.730 -7.600 318 HA TRP 44 HA TRP 44 1.645 -2.348 -5.084 319 HB2 TRP 44 HB2 TRP 44 0.740 -0.629 -7.438 320 HB3 TRP 44 HB3 TRP 44 -0.133 -0.751 -5.918 321 HD1 TRP 44 HD1 TRP 44 3.413 0.280 -7.100 322 HE1 TRP 44 HE1 TRP 44 4.381 1.986 -5.556 323 HE3 TRP 44 HE3 TRP 44 -0.529 0.635 -3.845 324 HZ2 TRP 44 HZ2 TRP 44 3.558 3.378 -3.129 325 HZ3 TRP 44 HZ3 TRP 44 -0.424 2.211 -1.940 326 HH2 TRP 44 HH2 TRP 44 1.631 3.552 -1.534 327 H THR 45 H THR 45 0.593 -4.257 -4.797 328 HA THR 45 HA THR 45 -1.364 -5.137 -6.871 329 HB THR 45 HB THR 45 0.262 -6.994 -5.139 330 HG1 THR 45 HG1 THR 45 1.472 -5.567 -6.734 331 HG21 THR 45 HG21 THR 45 -1.118 -7.458 -7.805 332 HG22 THR 45 HG22 THR 45 -0.218 -8.653 -6.876 333 HG23 THR 45 HG23 THR 45 -1.729 -7.999 -6.219 334 H TYR 46 H TYR 46 -3.262 -6.200 -5.915 335 HA TYR 46 HA TYR 46 -3.668 -5.642 -3.033 336 HB2 TYR 46 HB2 TYR 46 -5.711 -4.625 -3.434 337 HB3 TYR 46 HB3 TYR 46 -4.680 -3.952 -4.693 338 HD1 TYR 46 HD1 TYR 46 -4.874 -4.841 -7.076 339 HD2 TYR 46 HD2 TYR 46 -7.609 -5.996 -3.943 340 HE1 TYR 46 HE1 TYR 46 -6.328 -5.902 -8.759 341 HE2 TYR 46 HE2 TYR 46 -9.094 -7.032 -5.630 342 HH TYR 46 HH TYR 46 -8.205 -7.278 -9.081 343 H ASP 47 H ASP 47 -5.118 -6.972 -1.962 344 HA ASP 47 HA ASP 47 -6.066 -9.466 -3.301 345 HB2 ASP 47 HB2 ASP 47 -4.020 -10.029 -2.161 346 HB3 ASP 47 HB3 ASP 47 -4.519 -9.170 -0.714 347 H ASP 48 H ASP 48 -8.196 -9.073 -3.257 348 HA ASP 48 HA ASP 48 -9.500 -7.415 -1.287 349 HB2 ASP 48 HB2 ASP 48 -11.504 -7.802 -2.486 350 HB3 ASP 48 HB3 ASP 48 -10.221 -7.636 -3.679 351 H ALA 49 H ALA 49 -8.723 -10.824 -1.265 352 HA ALA 49 HA ALA 49 -10.936 -11.593 0.503 353 HB1 ALA 49 HB1 ALA 49 -10.074 -13.277 -1.034 354 HB2 ALA 49 HB2 ALA 49 -8.425 -13.089 -0.389 355 HB3 ALA 49 HB3 ALA 49 -9.721 -13.753 0.619 356 H THR 50 H THR 50 -7.376 -11.215 0.719 357 HA THR 50 HA THR 50 -7.415 -11.374 3.642 358 HB THR 50 HB THR 50 -5.175 -10.540 1.762 359 HG1 THR 50 HG1 THR 50 -5.315 -12.478 1.119 360 HG21 THR 50 HG21 THR 50 -5.106 -11.732 4.566 361 HG22 THR 50 HG22 THR 50 -3.693 -11.478 3.508 362 HG23 THR 50 HG23 THR 50 -4.607 -10.098 4.114 363 H LYS 51 H LYS 51 -7.907 -8.885 1.306 364 HA LYS 51 HA LYS 51 -8.362 -6.705 1.397 365 HB2 LYS 51 HB2 LYS 51 -8.785 -7.095 4.386 366 HB3 LYS 51 HB3 LYS 51 -9.402 -5.762 3.411 367 HG2 LYS 51 HG2 LYS 51 -10.785 -7.276 2.099 368 HG3 LYS 51 HG3 LYS 51 -10.043 -8.685 2.827 369 HD2 LYS 51 HD2 LYS 51 -11.036 -7.814 5.067 370 HD3 LYS 51 HD3 LYS 51 -12.145 -6.938 3.995 371 HE2 LYS 51 HE2 LYS 51 -11.585 -9.932 4.159 372 HE3 LYS 51 HE3 LYS 51 -13.117 -9.116 4.495 373 HZ1 LYS 51 HZ1 LYS 51 -13.095 -10.241 2.328 374 HZ2 LYS 51 HZ2 LYS 51 -13.271 -8.616 2.126 375 HZ3 LYS 51 HZ3 LYS 51 -11.830 -9.343 1.826 376 H THR 52 H THR 52 -5.939 -7.143 0.933 377 HA THR 52 HA THR 52 -4.366 -5.169 2.506 378 HB THR 52 HB THR 52 -2.414 -6.772 2.055 379 HG1 THR 52 HG1 THR 52 -3.530 -8.102 0.567 380 HG21 THR 52 HG21 THR 52 -4.623 -7.805 3.895 381 HG22 THR 52 HG22 THR 52 -2.895 -8.169 4.009 382 HG23 THR 52 HG23 THR 52 -3.481 -6.527 4.300 383 H PHE 53 H PHE 53 -2.719 -4.086 1.361 384 HA PHE 53 HA PHE 53 -2.647 -4.254 -1.583 385 HB2 PHE 53 HB2 PHE 53 -3.783 -2.112 -0.030 386 HB3 PHE 53 HB3 PHE 53 -2.240 -1.552 -0.606 387 HD1 PHE 53 HD2 PHE 53 -1.726 -1.714 -3.156 388 HD2 PHE 53 HD1 PHE 53 -5.656 -2.210 -1.489 389 HE1 PHE 53 HE2 PHE 53 -2.728 -1.084 -5.335 390 HE2 PHE 53 HE1 PHE 53 -6.662 -1.613 -3.662 391 HZ PHE 53 HZ PHE 53 -5.193 -1.019 -5.600 392 H THR 54 H THR 54 -0.580 -5.011 -1.859 393 HA THR 54 HA THR 54 1.475 -4.140 0.107 394 HB THR 54 HB THR 54 1.456 -6.684 -1.515 395 HG1 THR 54 HG1 THR 54 0.722 -7.675 0.252 396 HG21 THR 54 HG21 THR 54 3.111 -5.823 0.909 397 HG22 THR 54 HG22 THR 54 3.162 -7.418 0.134 398 HG23 THR 54 HG23 THR 54 3.714 -5.996 -0.744 399 H VAL 55 H VAL 55 3.322 -3.265 -0.533 400 HA VAL 55 HA VAL 55 3.758 -2.698 -3.433 401 HB VAL 55 HB VAL 55 5.054 -1.410 -0.968 402 HG11 VAL 55 HG11 VAL 55 6.369 -1.278 -3.047 403 HG12 VAL 55 HG12 VAL 55 4.973 -0.568 -3.898 404 HG13 VAL 55 HG13 VAL 55 5.767 0.320 -2.576 405 HG21 VAL 55 HG21 VAL 55 2.718 -0.413 -2.622 406 HG22 VAL 55 HG22 VAL 55 2.727 -0.796 -0.874 407 HG23 VAL 55 HG23 VAL 55 3.642 0.585 -1.483 408 H THR 56 H THR 56 4.810 -4.610 -4.108 409 HA THR 56 HA THR 56 6.873 -5.835 -2.343 410 HB THR 56 HB THR 56 5.388 -6.973 -4.744 411 HG1 THR 56 HG1 THR 56 3.865 -6.991 -3.341 412 HG21 THR 56 HG21 THR 56 7.017 -8.410 -2.610 413 HG22 THR 56 HG22 THR 56 6.115 -9.162 -3.939 414 HG23 THR 56 HG23 THR 56 7.517 -8.152 -4.299 415 H GLU 57 H GLU 57 8.758 -4.738 -2.766 416 HA GLU 57 HA GLU 57 9.414 -3.873 -5.527 417 HB2 GLU 57 HB2 GLU 57 9.674 -2.252 -3.697 418 HB3 GLU 57 HB3 GLU 57 10.768 -3.356 -2.852 419 HG2 GLU 57 HG2 GLU 57 12.468 -3.146 -4.513 420 HG3 GLU 57 HG3 GLU 57 11.370 -2.388 -5.654 Start of MODEL 12 1 H1 MET 1 H MET 1 -18.156 2.935 2.820 2 HA MET 1 HA MET 1 -15.827 2.930 1.932 3 HB2 MET 1 HB2 MET 1 -16.645 4.277 3.990 4 HB3 MET 1 HB3 MET 1 -15.806 3.074 4.968 5 HG2 MET 1 HG2 MET 1 -13.678 3.714 3.920 6 HG3 MET 1 HG3 MET 1 -14.539 4.814 2.819 7 HE1 MET 1 HE1 MET 1 -12.929 7.475 5.245 8 HE2 MET 1 HE2 MET 1 -12.254 6.120 4.329 9 HE3 MET 1 HE3 MET 1 -13.409 7.216 3.557 10 H GLY 2 H GLY 2 -13.682 1.949 2.084 11 HA2 GLY 2 HA2 GLY 2 -13.676 -0.800 3.249 12 HA3 GLY 2 HA3 GLY 2 -12.851 -0.297 1.767 13 H THR 3 H THR 3 -11.218 -1.425 3.518 14 HA THR 3 HA THR 3 -9.539 0.764 4.533 15 HB THR 3 HB THR 3 -10.524 -1.547 6.257 16 HG1 THR 3 HG1 THR 3 -11.543 0.729 5.881 17 HG21 THR 3 HG21 THR 3 -8.114 -1.213 6.667 18 HG22 THR 3 HG22 THR 3 -8.359 0.535 6.819 19 HG23 THR 3 HG23 THR 3 -9.045 -0.583 8.025 20 H TYR 4 H TYR 4 -7.943 0.409 3.089 21 HA TYR 4 HA TYR 4 -7.169 -2.377 2.489 22 HB2 TYR 4 HB2 TYR 4 -6.462 0.273 1.204 23 HB3 TYR 4 HB3 TYR 4 -5.660 -1.245 0.814 24 HD1 TYR 4 HD1 TYR 4 -6.914 -3.141 -0.202 25 HD2 TYR 4 HD2 TYR 4 -8.681 0.763 0.322 26 HE1 TYR 4 HE1 TYR 4 -8.695 -3.734 -1.816 27 HE2 TYR 4 HE2 TYR 4 -10.487 0.163 -1.271 28 HH TYR 4 HH TYR 4 -11.424 -1.537 -2.602 29 H LYS 5 H LYS 5 -5.449 -3.259 3.279 30 HA LYS 5 HA LYS 5 -3.862 -1.941 5.407 31 HB2 LYS 5 HB2 LYS 5 -4.098 -4.804 4.358 32 HB3 LYS 5 HB3 LYS 5 -3.032 -4.308 5.671 33 HG2 LYS 5 HG2 LYS 5 -4.920 -3.716 7.087 34 HG3 LYS 5 HG3 LYS 5 -6.056 -3.894 5.741 35 HD2 LYS 5 HD2 LYS 5 -6.188 -5.845 7.191 36 HD3 LYS 5 HD3 LYS 5 -5.562 -6.301 5.589 37 HE2 LYS 5 HE2 LYS 5 -3.231 -6.155 6.545 38 HE3 LYS 5 HE3 LYS 5 -3.947 -5.852 8.132 39 HZ1 LYS 5 HZ1 LYS 5 -3.355 -8.144 7.773 40 HZ2 LYS 5 HZ2 LYS 5 -4.968 -8.017 8.031 41 HZ3 LYS 5 HZ3 LYS 5 -4.376 -8.292 6.509 42 H LEU 6 H LEU 6 -2.239 -0.696 4.480 43 HA LEU 6 HA LEU 6 -0.923 -1.639 2.033 44 HB2 LEU 6 HB2 LEU 6 -1.631 0.798 2.598 45 HB3 LEU 6 HB3 LEU 6 -0.205 0.842 3.608 46 HG LEU 6 HG LEU 6 0.482 1.792 1.602 47 HD11 LEU 6 HD11 LEU 6 2.020 -0.096 2.264 48 HD12 LEU 6 HD12 LEU 6 1.272 -1.070 0.977 49 HD13 LEU 6 HD13 LEU 6 2.104 0.432 0.571 50 HD21 LEU 6 HD21 LEU 6 -1.402 1.315 0.174 51 HD22 LEU 6 HD22 LEU 6 0.081 0.842 -0.655 52 HD23 LEU 6 HD23 LEU 6 -0.948 -0.398 0.060 53 H ILE 7 H ILE 7 0.768 -2.999 2.218 54 HA ILE 7 HA ILE 7 2.520 -2.851 4.620 55 HB ILE 7 HB ILE 7 1.533 -5.271 3.087 56 HG12 ILE 7 HG12 ILE 7 1.273 -6.190 5.400 57 HG13 ILE 7 HG13 ILE 7 1.803 -4.659 6.082 58 HG21 ILE 7 HG21 ILE 7 3.984 -5.512 3.175 59 HG22 ILE 7 HG22 ILE 7 3.990 -5.097 4.901 60 HG23 ILE 7 HG23 ILE 7 3.237 -6.604 4.333 61 HD11 ILE 7 HD11 ILE 7 -0.253 -3.590 5.394 62 HD12 ILE 7 HD12 ILE 7 -0.700 -4.984 4.373 63 HD13 ILE 7 HD13 ILE 7 -0.667 -5.115 6.150 64 H LEU 8 H LEU 8 4.388 -2.050 4.153 65 HA LEU 8 HA LEU 8 5.334 -1.664 1.357 66 HB2 LEU 8 HB2 LEU 8 5.902 -0.514 4.081 67 HB3 LEU 8 HB3 LEU 8 7.310 -0.730 3.067 68 HG LEU 8 HG LEU 8 6.528 0.780 1.396 69 HD11 LEU 8 HD11 LEU 8 4.228 0.269 1.221 70 HD12 LEU 8 HD12 LEU 8 3.928 0.783 2.903 71 HD13 LEU 8 HD13 LEU 8 4.339 1.980 1.647 72 HD21 LEU 8 HD21 LEU 8 7.558 1.951 3.186 73 HD22 LEU 8 HD22 LEU 8 6.073 2.869 2.907 74 HD23 LEU 8 HD23 LEU 8 6.149 1.751 4.252 75 H ASN 9 H ASN 9 6.463 -3.458 0.518 76 HA ASN 9 HA ASN 9 8.132 -5.008 2.440 77 HB2 ASN 9 HB2 ASN 9 6.293 -6.387 1.656 78 HB3 ASN 9 HB3 ASN 9 6.669 -6.005 -0.022 79 HD21 ASN 9 HD22 ASN 9 9.122 -6.476 -0.602 80 HD22 ASN 9 HD21 ASN 9 9.650 -8.068 -0.174 81 H GLY 10 H GLY 10 9.746 -3.321 2.140 82 HA2 GLY 10 HA2 GLY 10 10.665 -2.801 -0.588 83 HA3 GLY 10 HA3 GLY 10 11.212 -2.024 0.894 84 H LYS 11 H LYS 11 12.969 -3.092 -1.110 85 HA LYS 11 HA LYS 11 13.958 -5.649 -0.143 86 HB2 LYS 11 HB2 LYS 11 15.608 -5.643 -1.710 87 HB3 LYS 11 HB3 LYS 11 14.273 -4.849 -2.509 88 HG2 LYS 11 HG2 LYS 11 16.694 -3.366 -1.321 89 HG3 LYS 11 HG3 LYS 11 16.586 -3.980 -2.966 90 HD2 LYS 11 HD2 LYS 11 14.435 -2.652 -3.181 91 HD3 LYS 11 HD3 LYS 11 14.951 -1.768 -1.729 92 HE2 LYS 11 HE2 LYS 11 17.034 -1.111 -2.976 93 HE3 LYS 11 HE3 LYS 11 16.463 -2.054 -4.365 94 HZ1 LYS 11 HZ1 LYS 11 14.436 -0.562 -4.301 95 HZ2 LYS 11 HZ2 LYS 11 15.218 0.385 -3.264 96 HZ3 LYS 11 HZ3 LYS 11 15.842 0.180 -4.775 97 H THR 12 H THR 12 14.210 -2.685 1.322 98 HA THR 12 HA THR 12 16.674 -3.541 2.792 99 HB THR 12 HB THR 12 15.801 -0.708 2.096 100 HG1 THR 12 HG1 THR 12 17.205 -0.674 0.579 101 HG21 THR 12 HG21 THR 12 18.151 -0.144 2.843 102 HG22 THR 12 HG22 THR 12 17.073 -0.651 4.137 103 HG23 THR 12 HG23 THR 12 18.281 -1.791 3.495 104 H LEU 13 H LEU 13 13.407 -2.032 2.995 105 HA LEU 13 HA LEU 13 13.348 -2.594 5.839 106 HB2 LEU 13 HB2 LEU 13 12.771 -0.367 6.496 107 HB3 LEU 13 HB3 LEU 13 14.303 -0.319 5.673 108 HG LEU 13 HG LEU 13 13.183 1.603 5.047 109 HD11 LEU 13 HD11 LEU 13 12.691 -0.166 2.644 110 HD12 LEU 13 HD12 LEU 13 12.862 1.590 2.663 111 HD13 LEU 13 HD13 LEU 13 14.247 0.586 3.096 112 HD21 LEU 13 HD21 LEU 13 10.976 1.880 4.275 113 HD22 LEU 13 HD22 LEU 13 10.698 0.134 4.153 114 HD23 LEU 13 HD23 LEU 13 10.916 0.899 5.754 115 H LYS 14 H LYS 14 11.079 -2.266 6.664 116 HA LYS 14 HA LYS 14 9.005 -2.436 4.556 117 HB2 LYS 14 HB2 LYS 14 9.404 -4.458 6.803 118 HB3 LYS 14 HB3 LYS 14 8.012 -4.399 5.715 119 HG2 LYS 14 HG2 LYS 14 9.743 -4.631 3.778 120 HG3 LYS 14 HG3 LYS 14 10.890 -5.068 5.056 121 HD2 LYS 14 HD2 LYS 14 9.240 -6.778 5.838 122 HD3 LYS 14 HD3 LYS 14 8.260 -6.458 4.394 123 HE2 LYS 14 HE2 LYS 14 10.240 -7.082 2.978 124 HE3 LYS 14 HE3 LYS 14 11.152 -7.444 4.455 125 HZ1 LYS 14 HZ1 LYS 14 8.679 -8.781 3.552 126 HZ2 LYS 14 HZ2 LYS 14 10.148 -9.419 3.470 127 HZ3 LYS 14 HZ3 LYS 14 9.460 -9.123 4.971 128 H GLY 15 H GLY 15 6.749 -2.375 5.483 129 HA2 GLY 15 HA2 GLY 15 6.453 -1.109 8.120 130 HA3 GLY 15 HA3 GLY 15 6.126 -0.084 6.722 131 H GLU 16 H GLU 16 4.153 -0.678 8.561 132 HA GLU 16 HA GLU 16 2.160 -2.045 6.859 133 HB2 GLU 16 HB2 GLU 16 2.908 -3.874 8.268 134 HB3 GLU 16 HB3 GLU 16 2.840 -2.868 9.727 135 HG2 GLU 16 HG2 GLU 16 0.389 -2.686 9.535 136 HG3 GLU 16 HG3 GLU 16 0.436 -3.526 7.988 137 H THR 17 H THR 17 0.536 -0.525 6.676 138 HA THR 17 HA THR 17 -0.221 1.037 9.084 139 HB THR 17 HB THR 17 -0.500 3.000 7.492 140 HG1 THR 17 HG1 THR 17 0.746 2.941 5.625 141 HG21 THR 17 HG21 THR 17 1.395 2.888 9.082 142 HG22 THR 17 HG22 THR 17 2.373 2.044 7.884 143 HG23 THR 17 HG23 THR 17 1.838 3.712 7.582 144 H THR 18 H THR 18 -2.433 2.195 8.575 145 HA THR 18 HA THR 18 -4.172 0.569 6.814 146 HB THR 18 HB THR 18 -5.867 0.667 8.766 147 HG1 THR 18 HG1 THR 18 -4.757 1.985 10.214 148 HG21 THR 18 HG21 THR 18 -3.471 -1.152 9.214 149 HG22 THR 18 HG22 THR 18 -5.138 -1.421 9.741 150 HG23 THR 18 HG23 THR 18 -4.749 -1.444 8.010 151 H THR 19 H THR 19 -5.803 1.831 5.876 152 HA THR 19 HA THR 19 -6.483 4.403 6.906 153 HB THR 19 HB THR 19 -4.817 4.234 4.388 154 HG1 THR 19 HG1 THR 19 -4.209 4.732 6.775 155 HG21 THR 19 HG21 THR 19 -5.320 6.659 4.087 156 HG22 THR 19 HG22 THR 19 -6.755 5.648 3.811 157 HG23 THR 19 HG23 THR 19 -6.568 6.522 5.345 158 H GLU 20 H GLU 20 -8.599 4.938 6.253 159 HA GLU 20 HA GLU 20 -9.931 2.836 4.688 160 HB2 GLU 20 HB2 GLU 20 -12.024 3.780 5.648 161 HB3 GLU 20 HB3 GLU 20 -10.905 3.044 6.779 162 HG2 GLU 20 HG2 GLU 20 -10.126 5.334 7.465 163 HG3 GLU 20 HG3 GLU 20 -11.404 6.020 6.470 164 H ALA 21 H ALA 21 -11.150 3.293 2.818 165 HA ALA 21 HA ALA 21 -11.397 5.989 1.775 166 HB1 ALA 21 HB1 ALA 21 -8.998 5.502 1.219 167 HB2 ALA 21 HB2 ALA 21 -9.511 4.023 0.373 168 HB3 ALA 21 HB3 ALA 21 -9.999 5.619 -0.233 169 H VAL 22 H VAL 22 -12.381 5.921 -0.482 170 HA VAL 22 HA VAL 22 -14.445 3.850 -0.532 171 HB VAL 22 HB VAL 22 -14.881 6.292 -0.904 172 HG11 VAL 22 HG11 VAL 22 -14.502 7.320 -3.056 173 HG12 VAL 22 HG12 VAL 22 -12.934 6.778 -2.435 174 HG13 VAL 22 HG13 VAL 22 -13.757 5.853 -3.703 175 HG21 VAL 22 HG21 VAL 22 -15.824 4.552 -3.202 176 HG22 VAL 22 HG22 VAL 22 -16.494 4.523 -1.559 177 HG23 VAL 22 HG23 VAL 22 -16.609 5.995 -2.537 178 H ASP 23 H ASP 23 -11.327 4.332 -2.201 179 HA ASP 23 HA ASP 23 -11.974 1.933 -3.795 180 HB2 ASP 23 HB2 ASP 23 -11.841 4.651 -4.852 181 HB3 ASP 23 HB3 ASP 23 -10.484 3.732 -5.477 182 H ALA 24 H ALA 24 -10.198 0.783 -4.556 183 HA ALA 24 HA ALA 24 -7.920 0.696 -2.862 184 HB1 ALA 24 HB1 ALA 24 -8.839 -1.224 -4.236 185 HB2 ALA 24 HB2 ALA 24 -8.215 -0.426 -5.692 186 HB3 ALA 24 HB3 ALA 24 -7.098 -0.987 -4.436 187 H ALA 25 H ALA 25 -8.478 2.102 -6.082 188 HA ALA 25 HA ALA 25 -5.830 2.926 -6.671 189 HB1 ALA 25 HB1 ALA 25 -7.601 2.821 -8.359 190 HB2 ALA 25 HB2 ALA 25 -8.506 4.096 -7.516 191 HB3 ALA 25 HB3 ALA 25 -6.936 4.466 -8.274 192 H THR 26 H THR 26 -8.527 4.715 -4.965 193 HA THR 26 HA THR 26 -7.069 7.129 -4.628 194 HB THR 26 HB THR 26 -9.333 5.796 -3.098 195 HG1 THR 26 HG1 THR 26 -9.892 8.138 -4.216 196 HG21 THR 26 HG21 THR 26 -8.258 7.232 -1.443 197 HG22 THR 26 HG22 THR 26 -8.193 8.576 -2.603 198 HG23 THR 26 HG23 THR 26 -9.756 7.967 -2.000 199 H ALA 27 H ALA 27 -7.377 4.231 -2.503 200 HA ALA 27 HA ALA 27 -5.729 5.153 -0.429 201 HB1 ALA 27 HB1 ALA 27 -6.215 2.310 -1.433 202 HB2 ALA 27 HB2 ALA 27 -5.469 2.735 0.114 203 HB3 ALA 27 HB3 ALA 27 -7.152 3.187 -0.204 204 H GLU 28 H GLU 28 -4.864 3.317 -3.359 205 HA GLU 28 HA GLU 28 -2.094 2.967 -2.914 206 HB2 GLU 28 HB2 GLU 28 -3.453 1.782 -4.582 207 HB3 GLU 28 HB3 GLU 28 -3.764 3.265 -5.439 208 HG2 GLU 28 HG2 GLU 28 -0.935 3.075 -5.380 209 HG3 GLU 28 HG3 GLU 28 -1.513 1.442 -5.669 210 H LYS 29 H LYS 29 -3.753 5.498 -4.856 211 HA LYS 29 HA LYS 29 -1.452 6.924 -5.608 212 HB2 LYS 29 HB2 LYS 29 -4.314 7.845 -5.149 213 HB3 LYS 29 HB3 LYS 29 -3.061 8.855 -5.890 214 HG2 LYS 29 HG2 LYS 29 -2.809 7.324 -7.760 215 HG3 LYS 29 HG3 LYS 29 -3.817 6.114 -7.004 216 HD2 LYS 29 HD2 LYS 29 -5.160 7.168 -8.648 217 HD3 LYS 29 HD3 LYS 29 -5.756 7.768 -7.093 218 HE2 LYS 29 HE2 LYS 29 -4.409 9.823 -7.363 219 HE3 LYS 29 HE3 LYS 29 -3.690 9.187 -8.843 220 HZ1 LYS 29 HZ1 LYS 29 -5.910 9.264 -9.859 221 HZ2 LYS 29 HZ2 LYS 29 -6.534 9.929 -8.488 222 HZ3 LYS 29 HZ3 LYS 29 -5.372 10.728 -9.339 223 H VAL 30 H VAL 30 -3.565 7.442 -2.723 224 HA VAL 30 HA VAL 30 -2.037 9.655 -1.750 225 HB VAL 30 HB VAL 30 -3.983 7.746 -0.400 226 HG11 VAL 30 HG11 VAL 30 -4.171 9.469 1.396 227 HG12 VAL 30 HG12 VAL 30 -2.586 8.701 1.373 228 HG13 VAL 30 HG13 VAL 30 -2.779 10.329 0.694 229 HG21 VAL 30 HG21 VAL 30 -4.291 10.635 -1.359 230 HG22 VAL 30 HG22 VAL 30 -4.947 9.214 -2.186 231 HG23 VAL 30 HG23 VAL 30 -5.548 9.650 -0.583 232 H PHE 31 H PHE 31 -2.004 6.147 -0.686 233 HA PHE 31 HA PHE 31 0.171 6.611 1.048 234 HB2 PHE 31 HB2 PHE 31 -1.094 4.139 -0.108 235 HB3 PHE 31 HB3 PHE 31 0.471 3.986 0.631 236 HD1 PHE 31 HD2 PHE 31 0.256 5.929 3.010 237 HD2 PHE 31 HD1 PHE 31 -2.401 2.908 1.435 238 HE1 PHE 31 HE2 PHE 31 -0.538 5.466 5.264 239 HE2 PHE 31 HE1 PHE 31 -3.149 2.403 3.748 240 HZ PHE 31 HZ PHE 31 -2.210 3.675 5.669 241 H LYS 32 H LYS 32 0.392 6.558 -2.409 242 HA LYS 32 HA LYS 32 2.973 5.373 -2.590 243 HB2 LYS 32 HB2 LYS 32 1.361 6.256 -4.525 244 HB3 LYS 32 HB3 LYS 32 2.321 7.741 -4.340 245 HG2 LYS 32 HG2 LYS 32 4.391 6.136 -4.438 246 HG3 LYS 32 HG3 LYS 32 3.245 4.923 -5.007 247 HD2 LYS 32 HD2 LYS 32 2.672 6.480 -6.916 248 HD3 LYS 32 HD3 LYS 32 4.004 7.529 -6.378 249 HE2 LYS 32 HE2 LYS 32 4.215 4.588 -7.171 250 HE3 LYS 32 HE3 LYS 32 4.720 5.952 -8.171 251 HZ1 LYS 32 HZ1 LYS 32 6.404 6.474 -6.536 252 HZ2 LYS 32 HZ2 LYS 32 5.938 5.216 -5.565 253 HZ3 LYS 32 HZ3 LYS 32 6.564 4.913 -7.031 254 H GLN 33 H GLN 33 1.942 8.488 -1.354 255 HA GLN 33 HA GLN 33 4.429 9.886 -1.422 256 HB2 GLN 33 HB2 GLN 33 2.143 9.915 0.610 257 HB3 GLN 33 HB3 GLN 33 3.479 11.062 0.581 258 HG2 GLN 33 HG2 GLN 33 2.722 11.962 -1.560 259 HG3 GLN 33 HG3 GLN 33 1.452 10.723 -1.671 260 HE21 GLN 33 HE22 GLN 33 -0.514 11.871 -1.319 261 HE22 GLN 33 HE21 GLN 33 -0.707 12.996 0.022 262 H TYR 34 H TYR 34 2.902 8.062 1.279 263 HA TYR 34 HA TYR 34 5.087 7.963 3.008 264 HB2 TYR 34 HB2 TYR 34 3.253 7.394 4.129 265 HB3 TYR 34 HB3 TYR 34 2.432 6.763 2.734 266 HD1 TYR 34 HD2 TYR 34 4.946 5.810 5.367 267 HD2 TYR 34 HD1 TYR 34 2.087 4.466 2.433 268 HE1 TYR 34 HE2 TYR 34 4.975 3.538 6.373 269 HE2 TYR 34 HE1 TYR 34 2.060 2.228 3.469 270 HH TYR 34 HH TYR 34 2.610 1.119 5.581 271 H ALA 35 H ALA 35 4.175 5.627 0.436 272 HA ALA 35 HA ALA 35 6.134 3.681 1.048 273 HB1 ALA 35 HB1 ALA 35 5.814 2.910 -1.245 274 HB2 ALA 35 HB2 ALA 35 4.254 3.321 -0.510 275 HB3 ALA 35 HB3 ALA 35 5.016 4.439 -1.669 276 H ASN 36 H ASN 36 6.383 6.350 -1.391 277 HA ASN 36 HA ASN 36 9.176 5.781 -1.755 278 HB2 ASN 36 HB2 ASN 36 7.686 6.835 -3.470 279 HB3 ASN 36 HB3 ASN 36 7.719 8.326 -2.512 280 HD21 ASN 36 HD22 ASN 36 9.161 9.725 -3.632 281 HD22 ASN 36 HD21 ASN 36 10.726 9.201 -4.250 282 H ASP 37 H ASP 37 7.462 7.954 0.461 283 HA ASP 37 HA ASP 37 9.644 9.645 1.202 284 HB2 ASP 37 HB2 ASP 37 7.301 10.170 1.716 285 HB3 ASP 37 HB3 ASP 37 7.204 8.763 2.784 286 H ASN 38 H ASN 38 8.707 6.370 2.080 287 HA ASN 38 HA ASN 38 10.745 6.203 4.202 288 HB2 ASN 38 HB2 ASN 38 8.271 5.324 4.236 289 HB3 ASN 38 HB3 ASN 38 8.934 3.954 3.332 290 HD21 ASN 38 HD22 ASN 38 7.771 3.482 5.762 291 HD22 ASN 38 HD21 ASN 38 8.976 3.148 6.991 292 H GLY 39 H GLY 39 10.795 5.898 0.880 293 HA2 GLY 39 HA2 GLY 39 12.575 5.228 -0.435 294 HA3 GLY 39 HA3 GLY 39 13.304 4.402 0.943 295 H VAL 40 H VAL 40 9.927 3.723 -0.184 296 HA VAL 40 HA VAL 40 10.874 1.078 -1.182 297 HB VAL 40 HB VAL 40 8.337 1.729 0.366 298 HG11 VAL 40 HG11 VAL 40 9.411 -0.883 -0.795 299 HG12 VAL 40 HG12 VAL 40 8.084 -0.796 0.381 300 HG13 VAL 40 HG13 VAL 40 7.894 -0.065 -1.213 301 HG21 VAL 40 HG21 VAL 40 9.314 0.242 2.118 302 HG22 VAL 40 HG22 VAL 40 10.835 0.206 1.204 303 HG23 VAL 40 HG23 VAL 40 10.234 1.730 1.894 304 H ASP 41 H ASP 41 10.507 0.847 -3.324 305 HA ASP 41 HA ASP 41 7.963 1.788 -4.417 306 HB2 ASP 41 HB2 ASP 41 9.673 3.693 -4.652 307 HB3 ASP 41 HB3 ASP 41 10.573 2.656 -5.751 308 H GLY 42 H GLY 42 7.375 -0.299 -4.742 309 HA2 GLY 42 HA2 GLY 42 9.091 -2.021 -6.473 310 HA3 GLY 42 HA3 GLY 42 8.224 -2.634 -5.049 311 H GLU 43 H GLU 43 7.196 -4.092 -6.674 312 HA GLU 43 HA GLU 43 5.366 -2.907 -8.625 313 HB2 GLU 43 HB2 GLU 43 6.729 -4.952 -9.043 314 HB3 GLU 43 HB3 GLU 43 5.870 -5.777 -7.738 315 HG2 GLU 43 HG2 GLU 43 4.984 -6.417 -9.895 316 HG3 GLU 43 HG3 GLU 43 3.758 -5.539 -8.962 317 H TRP 44 H TRP 44 3.403 -2.193 -8.004 318 HA TRP 44 HA TRP 44 2.323 -2.737 -5.326 319 HB2 TRP 44 HB2 TRP 44 1.483 -0.954 -7.658 320 HB3 TRP 44 HB3 TRP 44 0.581 -1.075 -6.168 321 HD1 TRP 44 HD1 TRP 44 4.151 -0.062 -7.263 322 HE1 TRP 44 HE1 TRP 44 4.962 1.859 -5.836 323 HE3 TRP 44 HE3 TRP 44 0.057 0.459 -4.241 324 HZ2 TRP 44 HZ2 TRP 44 4.081 3.255 -3.440 325 HZ3 TRP 44 HZ3 TRP 44 0.040 2.158 -2.439 326 HH2 TRP 44 HH2 TRP 44 2.062 3.492 -1.963 327 H THR 45 H THR 45 0.604 -4.149 -4.903 328 HA THR 45 HA THR 45 -1.204 -4.928 -7.105 329 HB THR 45 HB THR 45 0.158 -6.934 -5.287 330 HG1 THR 45 HG1 THR 45 0.903 -5.955 -7.769 331 HG21 THR 45 HG21 THR 45 -1.523 -7.379 -7.780 332 HG22 THR 45 HG22 THR 45 -0.768 -8.641 -6.812 333 HG23 THR 45 HG23 THR 45 -2.060 -7.674 -6.109 334 H TYR 46 H TYR 46 -3.285 -5.359 -6.355 335 HA TYR 46 HA TYR 46 -3.870 -4.915 -3.480 336 HB2 TYR 46 HB2 TYR 46 -6.088 -4.058 -4.437 337 HB3 TYR 46 HB3 TYR 46 -4.670 -3.053 -4.612 338 HD1 TYR 46 HD2 TYR 46 -6.725 -5.559 -6.579 339 HD2 TYR 46 HD1 TYR 46 -4.013 -2.192 -6.694 340 HE1 TYR 46 HE2 TYR 46 -6.918 -5.486 -9.032 341 HE2 TYR 46 HE1 TYR 46 -4.274 -2.075 -9.144 342 HH TYR 46 HH TYR 46 -6.249 -4.388 -11.030 343 H ASP 47 H ASP 47 -5.527 -6.122 -2.545 344 HA ASP 47 HA ASP 47 -6.788 -8.300 -4.127 345 HB2 ASP 47 HB2 ASP 47 -4.954 -8.569 -1.764 346 HB3 ASP 47 HB3 ASP 47 -6.358 -9.632 -1.837 347 H ASP 48 H ASP 48 -8.810 -7.192 -3.940 348 HA ASP 48 HA ASP 48 -9.659 -5.944 -1.511 349 HB2 ASP 48 HB2 ASP 48 -11.588 -5.416 -2.568 350 HB3 ASP 48 HB3 ASP 48 -10.628 -5.782 -3.999 351 H ALA 49 H ALA 49 -9.687 -9.299 -2.532 352 HA ALA 49 HA ALA 49 -11.734 -10.367 -1.011 353 HB1 ALA 49 HB1 ALA 49 -9.004 -11.585 -1.608 354 HB2 ALA 49 HB2 ALA 49 -10.475 -12.485 -1.164 355 HB3 ALA 49 HB3 ALA 49 -10.399 -11.590 -2.697 356 H THR 50 H THR 50 -8.454 -9.579 0.030 357 HA THR 50 HA THR 50 -9.145 -10.042 2.897 358 HB THR 50 HB THR 50 -6.500 -10.269 2.967 359 HG1 THR 50 HG1 THR 50 -5.789 -10.061 0.955 360 HG21 THR 50 HG21 THR 50 -8.027 -12.056 3.603 361 HG22 THR 50 HG22 THR 50 -8.305 -12.471 1.899 362 HG23 THR 50 HG23 THR 50 -6.700 -12.704 2.624 363 H LYS 51 H LYS 51 -8.844 -7.688 0.637 364 HA LYS 51 HA LYS 51 -8.426 -5.519 0.551 365 HB2 LYS 51 HB2 LYS 51 -8.729 -5.441 3.558 366 HB3 LYS 51 HB3 LYS 51 -8.955 -4.119 2.398 367 HG2 LYS 51 HG2 LYS 51 -10.871 -5.344 1.387 368 HG3 LYS 51 HG3 LYS 51 -10.670 -6.629 2.596 369 HD2 LYS 51 HD2 LYS 51 -10.856 -4.707 4.332 370 HD3 LYS 51 HD3 LYS 51 -11.588 -3.772 3.038 371 HE2 LYS 51 HE2 LYS 51 -13.415 -5.283 2.809 372 HE3 LYS 51 HE3 LYS 51 -12.559 -6.569 3.673 373 HZ1 LYS 51 HZ1 LYS 51 -13.537 -4.069 4.904 374 HZ2 LYS 51 HZ2 LYS 51 -14.196 -5.560 5.091 375 HZ3 LYS 51 HZ3 LYS 51 -12.699 -5.259 5.688 376 H THR 52 H THR 52 -6.173 -7.412 0.884 377 HA THR 52 HA THR 52 -4.118 -5.922 2.338 378 HB THR 52 HB THR 52 -2.702 -7.819 1.283 379 HG1 THR 52 HG1 THR 52 -4.065 -8.513 -0.290 380 HG21 THR 52 HG21 THR 52 -3.478 -7.838 3.630 381 HG22 THR 52 HG22 THR 52 -5.014 -8.557 3.140 382 HG23 THR 52 HG23 THR 52 -3.504 -9.468 2.934 383 H PHE 53 H PHE 53 -2.343 -4.889 1.300 384 HA PHE 53 HA PHE 53 -2.401 -4.570 -1.590 385 HB2 PHE 53 HB2 PHE 53 -3.892 -2.799 -0.260 386 HB3 PHE 53 HB3 PHE 53 -2.352 -2.082 0.133 387 HD1 PHE 53 HD2 PHE 53 -0.827 -2.496 -2.470 388 HD2 PHE 53 HD1 PHE 53 -4.950 -1.393 -1.768 389 HE1 PHE 53 HE2 PHE 53 -0.958 -1.525 -4.713 390 HE2 PHE 53 HE1 PHE 53 -5.000 -0.272 -3.983 391 HZ PHE 53 HZ PHE 53 -3.015 -0.373 -5.479 392 H THR 54 H THR 54 -0.308 -5.270 -1.932 393 HA THR 54 HA THR 54 1.740 -4.426 0.074 394 HB THR 54 HB THR 54 1.754 -7.047 -1.424 395 HG1 THR 54 HG1 THR 54 0.085 -6.976 0.068 396 HG21 THR 54 HG21 THR 54 3.393 -6.067 0.951 397 HG22 THR 54 HG22 THR 54 3.501 -7.677 0.194 398 HG23 THR 54 HG23 THR 54 3.995 -6.253 -0.709 399 H VAL 55 H VAL 55 3.552 -3.574 -0.650 400 HA VAL 55 HA VAL 55 3.873 -3.088 -3.584 401 HB VAL 55 HB VAL 55 5.037 -1.568 -1.187 402 HG11 VAL 55 HG11 VAL 55 6.429 -1.454 -3.206 403 HG12 VAL 55 HG12 VAL 55 5.021 -0.961 -4.179 404 HG13 VAL 55 HG13 VAL 55 5.654 0.113 -2.908 405 HG21 VAL 55 HG21 VAL 55 2.666 -0.896 -2.962 406 HG22 VAL 55 HG22 VAL 55 2.649 -1.162 -1.212 407 HG23 VAL 55 HG23 VAL 55 3.463 0.261 -1.868 408 H THR 56 H THR 56 4.946 -4.994 -4.123 409 HA THR 56 HA THR 56 6.974 -6.046 -2.250 410 HB THR 56 HB THR 56 6.006 -7.407 -4.769 411 HG1 THR 56 HG1 THR 56 4.211 -7.200 -3.712 412 HG21 THR 56 HG21 THR 56 7.153 -8.463 -2.141 413 HG22 THR 56 HG22 THR 56 6.671 -9.439 -3.549 414 HG23 THR 56 HG23 THR 56 8.046 -8.332 -3.671 415 H GLU 57 H GLU 57 8.920 -5.228 -2.441 416 HA GLU 57 HA GLU 57 10.066 -4.538 -5.083 417 HB2 GLU 57 HB2 GLU 57 9.804 -2.875 -3.044 418 HB3 GLU 57 HB3 GLU 57 11.077 -3.865 -2.308 419 HG2 GLU 57 HG2 GLU 57 12.567 -3.322 -4.200 420 HG3 GLU 57 HG3 GLU 57 11.292 -2.350 -4.929 Start of MODEL 13 1 H1 MET 1 H MET 1 -15.397 1.846 -1.950 2 HA MET 1 HA MET 1 -14.112 2.472 -0.053 3 HB2 MET 1 HB2 MET 1 -16.225 3.683 -0.216 4 HB3 MET 1 HB3 MET 1 -17.069 2.393 0.661 5 HG2 MET 1 HG2 MET 1 -15.671 2.790 2.646 6 HG3 MET 1 HG3 MET 1 -14.771 4.045 1.793 7 HE1 MET 1 HE1 MET 1 -16.971 5.597 4.743 8 HE2 MET 1 HE2 MET 1 -16.364 3.939 4.658 9 HE3 MET 1 HE3 MET 1 -15.303 5.285 4.191 10 H GLY 2 H GLY 2 -12.768 1.300 1.128 11 HA2 GLY 2 HA2 GLY 2 -13.663 -0.143 3.444 12 HA3 GLY 2 HA3 GLY 2 -12.963 -1.174 2.189 13 H THR 3 H THR 3 -11.548 -1.173 4.450 14 HA THR 3 HA THR 3 -9.455 0.905 4.445 15 HB THR 3 HB THR 3 -9.970 -1.442 6.308 16 HG1 THR 3 HG1 THR 3 -11.597 -0.159 6.587 17 HG21 THR 3 HG21 THR 3 -7.616 -0.649 6.376 18 HG22 THR 3 HG22 THR 3 -8.192 1.002 6.692 19 HG23 THR 3 HG23 THR 3 -8.492 -0.302 7.867 20 H TYR 4 H TYR 4 -7.776 0.539 3.079 21 HA TYR 4 HA TYR 4 -7.040 -2.269 2.426 22 HB2 TYR 4 HB2 TYR 4 -6.339 0.417 1.225 23 HB3 TYR 4 HB3 TYR 4 -5.292 -0.977 0.993 24 HD1 TYR 4 HD1 TYR 4 -6.069 -3.046 -0.148 25 HD2 TYR 4 HD2 TYR 4 -8.460 0.554 0.017 26 HE1 TYR 4 HE1 TYR 4 -7.476 -3.907 -1.978 27 HE2 TYR 4 HE2 TYR 4 -9.889 -0.312 -1.782 28 HH TYR 4 HH TYR 4 -10.313 -2.100 -3.203 29 H LYS 5 H LYS 5 -5.543 -3.226 3.519 30 HA LYS 5 HA LYS 5 -3.922 -1.920 5.590 31 HB2 LYS 5 HB2 LYS 5 -3.979 -4.758 4.491 32 HB3 LYS 5 HB3 LYS 5 -3.100 -4.274 5.921 33 HG2 LYS 5 HG2 LYS 5 -5.106 -3.969 7.190 34 HG3 LYS 5 HG3 LYS 5 -6.118 -3.937 5.735 35 HD2 LYS 5 HD2 LYS 5 -5.477 -6.298 5.249 36 HD3 LYS 5 HD3 LYS 5 -4.609 -6.350 6.800 37 HE2 LYS 5 HE2 LYS 5 -6.720 -5.924 7.992 38 HE3 LYS 5 HE3 LYS 5 -7.565 -5.728 6.442 39 HZ1 LYS 5 HZ1 LYS 5 -7.911 -7.912 7.304 40 HZ2 LYS 5 HZ2 LYS 5 -7.060 -7.998 5.915 41 HZ3 LYS 5 HZ3 LYS 5 -6.273 -8.218 7.334 42 H LEU 6 H LEU 6 -2.268 -0.698 4.789 43 HA LEU 6 HA LEU 6 -1.040 -1.313 2.209 44 HB2 LEU 6 HB2 LEU 6 -1.634 0.993 3.101 45 HB3 LEU 6 HB3 LEU 6 -0.369 0.796 4.294 46 HG LEU 6 HG LEU 6 0.531 2.143 2.598 47 HD11 LEU 6 HD11 LEU 6 2.126 0.282 3.200 48 HD12 LEU 6 HD12 LEU 6 1.622 -0.532 1.691 49 HD13 LEU 6 HD13 LEU 6 2.361 1.060 1.619 50 HD21 LEU 6 HD21 LEU 6 0.521 1.489 0.163 51 HD22 LEU 6 HD22 LEU 6 -0.573 0.158 0.604 52 HD23 LEU 6 HD23 LEU 6 -1.073 1.829 0.833 53 H ILE 7 H ILE 7 0.554 -2.798 2.130 54 HA ILE 7 HA ILE 7 2.313 -3.214 4.505 55 HB ILE 7 HB ILE 7 1.066 -5.184 2.567 56 HG12 ILE 7 HG12 ILE 7 0.981 -6.572 4.692 57 HG13 ILE 7 HG13 ILE 7 1.627 -5.195 5.581 58 HG21 ILE 7 HG21 ILE 7 3.497 -5.578 2.330 59 HG22 ILE 7 HG22 ILE 7 3.676 -5.611 4.086 60 HG23 ILE 7 HG23 ILE 7 2.741 -6.871 3.250 61 HD11 ILE 7 HD11 ILE 7 -0.436 -3.917 5.068 62 HD12 ILE 7 HD12 ILE 7 -1.039 -5.292 4.106 63 HD13 ILE 7 HD13 ILE 7 -0.785 -5.430 5.862 64 H LEU 8 H LEU 8 4.299 -2.617 4.179 65 HA LEU 8 HA LEU 8 5.278 -1.974 1.435 66 HB2 LEU 8 HB2 LEU 8 5.410 -0.605 3.994 67 HB3 LEU 8 HB3 LEU 8 7.031 -1.202 3.612 68 HG LEU 8 HG LEU 8 6.917 -0.130 1.421 69 HD11 LEU 8 HD11 LEU 8 4.423 0.016 1.205 70 HD12 LEU 8 HD12 LEU 8 4.444 1.279 2.468 71 HD13 LEU 8 HD13 LEU 8 5.260 1.529 0.906 72 HD21 LEU 8 HD21 LEU 8 7.978 0.961 3.412 73 HD22 LEU 8 HD22 LEU 8 7.302 2.147 2.285 74 HD23 LEU 8 HD23 LEU 8 6.427 1.755 3.783 75 H ASN 9 H ASN 9 6.370 -3.708 0.584 76 HA ASN 9 HA ASN 9 7.942 -5.479 2.400 77 HB2 ASN 9 HB2 ASN 9 5.919 -6.594 1.619 78 HB3 ASN 9 HB3 ASN 9 6.235 -6.086 -0.047 79 HD21 ASN 9 HD22 ASN 9 6.780 -7.925 -1.195 80 HD22 ASN 9 HD21 ASN 9 7.994 -9.061 -0.661 81 H GLY 10 H GLY 10 9.648 -3.823 2.036 82 HA2 GLY 10 HA2 GLY 10 10.524 -3.421 -0.726 83 HA3 GLY 10 HA3 GLY 10 11.109 -2.629 0.736 84 H LYS 11 H LYS 11 12.874 -3.196 -0.945 85 HA LYS 11 HA LYS 11 14.121 -5.803 -0.649 86 HB2 LYS 11 HB2 LYS 11 15.817 -4.963 -2.097 87 HB3 LYS 11 HB3 LYS 11 14.273 -4.433 -2.741 88 HG2 LYS 11 HG2 LYS 11 15.632 -2.486 -0.930 89 HG3 LYS 11 HG3 LYS 11 16.529 -2.854 -2.376 90 HD2 LYS 11 HD2 LYS 11 14.886 -1.878 -3.772 91 HD3 LYS 11 HD3 LYS 11 13.634 -2.034 -2.546 92 HE2 LYS 11 HE2 LYS 11 14.835 -0.419 -1.084 93 HE3 LYS 11 HE3 LYS 11 16.106 -0.239 -2.315 94 HZ1 LYS 11 HZ1 LYS 11 14.704 0.995 -3.633 95 HZ2 LYS 11 HZ2 LYS 11 13.353 0.347 -3.095 96 HZ3 LYS 11 HZ3 LYS 11 14.095 1.446 -2.138 97 H THR 12 H THR 12 14.198 -2.926 1.234 98 HA THR 12 HA THR 12 16.587 -3.921 2.740 99 HB THR 12 HB THR 12 15.917 -1.028 2.049 100 HG1 THR 12 HG1 THR 12 17.450 -1.085 0.558 101 HG21 THR 12 HG21 THR 12 18.276 -0.549 2.721 102 HG22 THR 12 HG22 THR 12 17.259 -1.067 4.060 103 HG23 THR 12 HG23 THR 12 18.409 -2.216 3.325 104 H LEU 13 H LEU 13 13.345 -2.439 2.872 105 HA LEU 13 HA LEU 13 13.293 -2.801 5.730 106 HB2 LEU 13 HB2 LEU 13 12.663 -0.573 6.291 107 HB3 LEU 13 HB3 LEU 13 14.189 -0.509 5.461 108 HG LEU 13 HG LEU 13 12.971 1.348 4.797 109 HD11 LEU 13 HD11 LEU 13 12.642 -0.497 2.419 110 HD12 LEU 13 HD12 LEU 13 12.758 1.269 2.412 111 HD13 LEU 13 HD13 LEU 13 14.155 0.314 2.915 112 HD21 LEU 13 HD21 LEU 13 10.781 1.508 3.970 113 HD22 LEU 13 HD22 LEU 13 10.578 -0.244 3.856 114 HD23 LEU 13 HD23 LEU 13 10.707 0.537 5.448 115 H LYS 14 H LYS 14 11.027 -2.304 6.535 116 HA LYS 14 HA LYS 14 8.936 -2.779 4.492 117 HB2 LYS 14 HB2 LYS 14 9.401 -4.434 7.012 118 HB3 LYS 14 HB3 LYS 14 7.923 -4.473 6.036 119 HG2 LYS 14 HG2 LYS 14 9.341 -5.034 4.016 120 HG3 LYS 14 HG3 LYS 14 10.727 -5.223 5.096 121 HD2 LYS 14 HD2 LYS 14 9.578 -6.995 6.321 122 HD3 LYS 14 HD3 LYS 14 8.117 -6.780 5.317 123 HE2 LYS 14 HE2 LYS 14 9.475 -7.309 3.298 124 HE3 LYS 14 HE3 LYS 14 10.885 -7.600 4.321 125 HZ1 LYS 14 HZ1 LYS 14 8.337 -9.108 4.525 126 HZ2 LYS 14 HZ2 LYS 14 9.643 -9.616 3.694 127 HZ3 LYS 14 HZ3 LYS 14 9.729 -9.442 5.327 128 H GLY 15 H GLY 15 6.674 -2.525 5.532 129 HA2 GLY 15 HA2 GLY 15 6.518 -0.694 7.792 130 HA3 GLY 15 HA3 GLY 15 6.152 0.046 6.227 131 H GLU 16 H GLU 16 4.196 -0.306 8.326 132 HA GLU 16 HA GLU 16 2.216 -1.893 6.829 133 HB2 GLU 16 HB2 GLU 16 3.357 -3.498 8.387 134 HB3 GLU 16 HB3 GLU 16 2.921 -2.460 9.745 135 HG2 GLU 16 HG2 GLU 16 0.488 -2.799 9.101 136 HG3 GLU 16 HG3 GLU 16 1.025 -3.957 7.889 137 H THR 17 H THR 17 0.547 -0.426 6.645 138 HA THR 17 HA THR 17 -0.308 1.128 9.022 139 HB THR 17 HB THR 17 -0.567 3.080 7.357 140 HG1 THR 17 HG1 THR 17 0.820 3.109 5.661 141 HG21 THR 17 HG21 THR 17 1.104 3.060 9.211 142 HG22 THR 17 HG22 THR 17 2.283 2.320 8.114 143 HG23 THR 17 HG23 THR 17 1.657 3.944 7.781 144 H THR 18 H THR 18 -2.564 2.216 8.473 145 HA THR 18 HA THR 18 -4.139 0.582 6.556 146 HB THR 18 HB THR 18 -5.894 0.383 8.414 147 HG1 THR 18 HG1 THR 18 -4.275 0.159 10.473 148 HG21 THR 18 HG21 THR 18 -3.378 -1.224 8.955 149 HG22 THR 18 HG22 THR 18 -5.046 -1.659 9.367 150 HG23 THR 18 HG23 THR 18 -4.559 -1.581 7.668 151 H THR 19 H THR 19 -5.784 1.832 5.603 152 HA THR 19 HA THR 19 -6.734 4.242 6.840 153 HB THR 19 HB THR 19 -4.938 4.401 4.415 154 HG1 THR 19 HG1 THR 19 -4.522 4.759 6.885 155 HG21 THR 19 HG21 THR 19 -5.583 6.809 4.254 156 HG22 THR 19 HG22 THR 19 -6.905 5.722 3.799 157 HG23 THR 19 HG23 THR 19 -6.910 6.494 5.393 158 H GLU 20 H GLU 20 -8.848 4.754 6.095 159 HA GLU 20 HA GLU 20 -9.986 2.817 4.164 160 HB2 GLU 20 HB2 GLU 20 -12.147 3.657 4.880 161 HB3 GLU 20 HB3 GLU 20 -11.281 2.919 6.210 162 HG2 GLU 20 HG2 GLU 20 -10.707 5.131 7.125 163 HG3 GLU 20 HG3 GLU 20 -11.438 5.932 5.732 164 H ALA 21 H ALA 21 -10.997 3.569 2.286 165 HA ALA 21 HA ALA 21 -10.974 6.462 1.713 166 HB1 ALA 21 HB1 ALA 21 -8.701 5.529 1.075 167 HB2 ALA 21 HB2 ALA 21 -9.527 4.485 -0.105 168 HB3 ALA 21 HB3 ALA 21 -9.634 6.259 -0.231 169 H VAL 22 H VAL 22 -12.063 6.856 -0.448 170 HA VAL 22 HA VAL 22 -14.506 5.443 -0.540 171 HB VAL 22 HB VAL 22 -14.308 7.732 -1.235 172 HG11 VAL 22 HG11 VAL 22 -13.367 8.464 -3.357 173 HG12 VAL 22 HG12 VAL 22 -12.113 7.774 -2.330 174 HG13 VAL 22 HG13 VAL 22 -12.763 6.836 -3.696 175 HG21 VAL 22 HG21 VAL 22 -15.238 5.973 -3.541 176 HG22 VAL 22 HG22 VAL 22 -16.188 6.426 -2.109 177 HG23 VAL 22 HG23 VAL 22 -15.678 7.663 -3.270 178 H ASP 23 H ASP 23 -11.500 4.995 -2.561 179 HA ASP 23 HA ASP 23 -12.342 2.294 -2.990 180 HB2 ASP 23 HB2 ASP 23 -13.352 3.951 -4.906 181 HB3 ASP 23 HB3 ASP 23 -11.791 3.536 -5.629 182 H ALA 24 H ALA 24 -10.623 1.171 -4.427 183 HA ALA 24 HA ALA 24 -8.172 1.272 -3.099 184 HB1 ALA 24 HB1 ALA 24 -7.380 -0.327 -4.686 185 HB2 ALA 24 HB2 ALA 24 -9.113 -0.639 -4.490 186 HB3 ALA 24 HB3 ALA 24 -8.519 0.208 -5.928 187 H ALA 25 H ALA 25 -9.062 2.858 -6.146 188 HA ALA 25 HA ALA 25 -6.588 3.810 -7.005 189 HB1 ALA 25 HB1 ALA 25 -8.692 4.032 -8.304 190 HB2 ALA 25 HB2 ALA 25 -9.322 5.178 -7.119 191 HB3 ALA 25 HB3 ALA 25 -7.912 5.608 -8.110 192 H THR 26 H THR 26 -8.666 5.104 -4.382 193 HA THR 26 HA THR 26 -7.095 7.552 -4.103 194 HB THR 26 HB THR 26 -9.101 6.213 -2.258 195 HG1 THR 26 HG1 THR 26 -9.800 8.455 -3.741 196 HG21 THR 26 HG21 THR 26 -7.701 7.903 -1.098 197 HG22 THR 26 HG22 THR 26 -8.112 9.106 -2.339 198 HG23 THR 26 HG23 THR 26 -9.360 8.442 -1.257 199 H ALA 27 H ALA 27 -7.500 4.430 -2.323 200 HA ALA 27 HA ALA 27 -5.691 4.884 -0.260 201 HB1 ALA 27 HB1 ALA 27 -6.280 2.249 -1.679 202 HB2 ALA 27 HB2 ALA 27 -5.576 2.438 -0.067 203 HB3 ALA 27 HB3 ALA 27 -7.239 2.968 -0.366 204 H GLU 28 H GLU 28 -5.050 3.426 -3.424 205 HA GLU 28 HA GLU 28 -2.340 2.856 -3.282 206 HB2 GLU 28 HB2 GLU 28 -3.909 2.151 -5.039 207 HB3 GLU 28 HB3 GLU 28 -4.142 3.823 -5.538 208 HG2 GLU 28 HG2 GLU 28 -1.679 3.870 -6.193 209 HG3 GLU 28 HG3 GLU 28 -1.654 2.120 -5.908 210 H LYS 29 H LYS 29 -3.815 5.883 -4.621 211 HA LYS 29 HA LYS 29 -1.202 7.095 -4.885 212 HB2 LYS 29 HB2 LYS 29 -3.997 8.205 -5.247 213 HB3 LYS 29 HB3 LYS 29 -2.512 9.145 -5.494 214 HG2 LYS 29 HG2 LYS 29 -1.701 7.435 -7.140 215 HG3 LYS 29 HG3 LYS 29 -3.204 6.531 -6.924 216 HD2 LYS 29 HD2 LYS 29 -3.387 7.786 -8.941 217 HD3 LYS 29 HD3 LYS 29 -4.482 8.491 -7.746 218 HE2 LYS 29 HE2 LYS 29 -2.691 10.243 -7.274 219 HE3 LYS 29 HE3 LYS 29 -1.740 9.538 -8.587 220 HZ1 LYS 29 HZ1 LYS 29 -3.619 10.023 -10.069 221 HZ2 LYS 29 HZ2 LYS 29 -4.422 10.758 -8.837 222 HZ3 LYS 29 HZ3 LYS 29 -2.983 11.372 -9.422 223 H VAL 30 H VAL 30 -3.601 7.207 -2.249 224 HA VAL 30 HA VAL 30 -2.449 9.570 -1.049 225 HB VAL 30 HB VAL 30 -4.258 7.344 -0.071 226 HG11 VAL 30 HG11 VAL 30 -4.576 8.699 2.030 227 HG12 VAL 30 HG12 VAL 30 -3.008 7.910 1.923 228 HG13 VAL 30 HG13 VAL 30 -3.145 9.645 1.567 229 HG21 VAL 30 HG21 VAL 30 -4.653 10.360 -0.374 230 HG22 VAL 30 HG22 VAL 30 -5.200 9.154 -1.553 231 HG23 VAL 30 HG23 VAL 30 -5.902 9.192 0.072 232 H PHE 31 H PHE 31 -2.072 6.017 -0.239 233 HA PHE 31 HA PHE 31 0.113 6.672 1.493 234 HB2 PHE 31 HB2 PHE 31 -1.075 4.125 0.462 235 HB3 PHE 31 HB3 PHE 31 0.535 4.061 1.149 236 HD1 PHE 31 HD2 PHE 31 0.481 5.943 3.454 237 HD2 PHE 31 HD1 PHE 31 -2.463 3.089 2.085 238 HE1 PHE 31 HE2 PHE 31 -0.341 5.698 5.745 239 HE2 PHE 31 HE1 PHE 31 -3.230 2.796 4.413 240 HZ PHE 31 HZ PHE 31 -2.200 4.125 6.251 241 H LYS 32 H LYS 32 0.116 6.576 -1.911 242 HA LYS 32 HA LYS 32 2.622 5.564 -2.629 243 HB2 LYS 32 HB2 LYS 32 0.800 6.573 -4.103 244 HB3 LYS 32 HB3 LYS 32 1.381 8.166 -3.615 245 HG2 LYS 32 HG2 LYS 32 3.615 7.565 -4.557 246 HG3 LYS 32 HG3 LYS 32 2.922 6.046 -5.157 247 HD2 LYS 32 HD2 LYS 32 1.260 7.344 -6.491 248 HD3 LYS 32 HD3 LYS 32 1.954 8.856 -5.866 249 HE2 LYS 32 HE2 LYS 32 4.192 8.096 -6.834 250 HE3 LYS 32 HE3 LYS 32 3.319 6.788 -7.633 251 HZ1 LYS 32 HZ1 LYS 32 1.968 8.517 -8.727 252 HZ2 LYS 32 HZ2 LYS 32 2.899 9.695 -8.052 253 HZ3 LYS 32 HZ3 LYS 32 3.569 8.630 -9.098 254 H GLN 33 H GLN 33 1.779 8.687 -1.213 255 HA GLN 33 HA GLN 33 4.220 10.047 -1.310 256 HB2 GLN 33 HB2 GLN 33 2.125 10.083 0.928 257 HB3 GLN 33 HB3 GLN 33 3.337 11.323 0.603 258 HG2 GLN 33 HG2 GLN 33 2.294 11.651 -1.650 259 HG3 GLN 33 HG3 GLN 33 0.961 10.596 -1.157 260 HE21 GLN 33 HE22 GLN 33 0.984 11.710 1.741 261 HE22 GLN 33 HE21 GLN 33 0.507 13.383 1.544 262 H TYR 34 H TYR 34 2.939 8.132 1.420 263 HA TYR 34 HA TYR 34 5.304 8.178 2.989 264 HB2 TYR 34 HB2 TYR 34 3.569 7.776 4.338 265 HB3 TYR 34 HB3 TYR 34 2.585 7.060 3.085 266 HD1 TYR 34 HD2 TYR 34 5.199 6.296 5.643 267 HD2 TYR 34 HD1 TYR 34 2.406 4.686 2.775 268 HE1 TYR 34 HE2 TYR 34 5.419 4.053 6.682 269 HE2 TYR 34 HE1 TYR 34 2.588 2.471 3.835 270 HH TYR 34 HH TYR 34 3.276 1.377 5.830 271 H ALA 35 H ALA 35 4.058 5.734 0.659 272 HA ALA 35 HA ALA 35 5.859 3.682 1.319 273 HB1 ALA 35 HB1 ALA 35 5.387 2.884 -1.016 274 HB2 ALA 35 HB2 ALA 35 3.908 3.360 -0.145 275 HB3 ALA 35 HB3 ALA 35 4.618 4.438 -1.364 276 H ASN 36 H ASN 36 6.180 6.063 -1.377 277 HA ASN 36 HA ASN 36 8.870 5.271 -1.885 278 HB2 ASN 36 HB2 ASN 36 7.439 6.395 -3.540 279 HB3 ASN 36 HB3 ASN 36 7.548 7.913 -2.626 280 HD21 ASN 36 HD22 ASN 36 8.960 9.229 -3.906 281 HD22 ASN 36 HD21 ASN 36 10.505 8.633 -4.511 282 H ASP 37 H ASP 37 7.498 7.674 0.337 283 HA ASP 37 HA ASP 37 9.921 9.114 0.839 284 HB2 ASP 37 HB2 ASP 37 7.733 9.977 1.509 285 HB3 ASP 37 HB3 ASP 37 7.528 8.643 2.650 286 H ASN 38 H ASN 38 8.521 6.147 2.211 287 HA ASN 38 HA ASN 38 10.552 5.925 4.256 288 HB2 ASN 38 HB2 ASN 38 8.140 5.028 4.311 289 HB3 ASN 38 HB3 ASN 38 8.744 3.709 3.298 290 HD21 ASN 38 HD22 ASN 38 8.150 2.279 5.119 291 HD22 ASN 38 HD21 ASN 38 9.256 2.120 6.465 292 H GLY 39 H GLY 39 10.540 5.272 0.894 293 HA2 GLY 39 HA2 GLY 39 12.581 4.806 -0.231 294 HA3 GLY 39 HA3 GLY 39 13.124 3.812 1.118 295 H VAL 40 H VAL 40 9.764 3.406 -0.119 296 HA VAL 40 HA VAL 40 10.659 0.946 -1.496 297 HB VAL 40 HB VAL 40 8.138 1.156 0.136 298 HG11 VAL 40 HG11 VAL 40 9.650 -1.200 -1.090 299 HG12 VAL 40 HG12 VAL 40 8.215 -1.357 -0.062 300 HG13 VAL 40 HG13 VAL 40 8.095 -0.553 -1.628 301 HG21 VAL 40 HG21 VAL 40 9.270 -0.335 1.811 302 HG22 VAL 40 HG22 VAL 40 10.806 -0.007 1.014 303 HG23 VAL 40 HG23 VAL 40 9.903 1.317 1.773 304 H ASP 41 H ASP 41 10.171 1.013 -3.572 305 HA ASP 41 HA ASP 41 7.522 1.923 -4.431 306 HB2 ASP 41 HB2 ASP 41 8.881 4.003 -4.598 307 HB3 ASP 41 HB3 ASP 41 10.035 3.158 -5.644 308 H GLY 42 H GLY 42 7.079 -0.132 -4.987 309 HA2 GLY 42 HA2 GLY 42 8.772 -1.507 -7.006 310 HA3 GLY 42 HA3 GLY 42 8.195 -2.351 -5.555 311 H GLU 43 H GLU 43 7.016 -3.814 -6.905 312 HA GLU 43 HA GLU 43 4.905 -2.747 -8.623 313 HB2 GLU 43 HB2 GLU 43 6.324 -4.770 -9.184 314 HB3 GLU 43 HB3 GLU 43 5.494 -5.645 -7.899 315 HG2 GLU 43 HG2 GLU 43 4.501 -6.125 -10.088 316 HG3 GLU 43 HG3 GLU 43 3.331 -5.302 -9.052 317 H TRP 44 H TRP 44 3.065 -2.049 -7.732 318 HA TRP 44 HA TRP 44 2.271 -2.789 -5.017 319 HB2 TRP 44 HB2 TRP 44 0.993 -1.046 -7.146 320 HB3 TRP 44 HB3 TRP 44 0.369 -1.253 -5.521 321 HD1 TRP 44 HD1 TRP 44 3.785 -0.137 -6.936 322 HE1 TRP 44 HE1 TRP 44 4.665 1.842 -5.581 323 HE3 TRP 44 HE3 TRP 44 -0.251 0.576 -3.918 324 HZ2 TRP 44 HZ2 TRP 44 3.824 3.356 -3.274 325 HZ3 TRP 44 HZ3 TRP 44 -0.196 2.327 -2.139 326 HH2 TRP 44 HH2 TRP 44 1.851 3.652 -1.758 327 H THR 45 H THR 45 0.648 -4.322 -4.561 328 HA THR 45 HA THR 45 -1.063 -5.353 -6.745 329 HB THR 45 HB THR 45 0.761 -7.077 -5.007 330 HG1 THR 45 HG1 THR 45 0.981 -6.000 -7.557 331 HG21 THR 45 HG21 THR 45 -1.100 -7.875 -7.277 332 HG22 THR 45 HG22 THR 45 0.044 -8.942 -6.449 333 HG23 THR 45 HG23 THR 45 -1.327 -8.260 -5.557 334 H TYR 46 H TYR 46 -3.114 -5.469 -5.975 335 HA TYR 46 HA TYR 46 -3.518 -5.401 -3.035 336 HB2 TYR 46 HB2 TYR 46 -5.573 -4.335 -3.355 337 HB3 TYR 46 HB3 TYR 46 -4.415 -3.471 -4.331 338 HD1 TYR 46 HD2 TYR 46 -7.326 -5.757 -4.400 339 HD2 TYR 46 HD1 TYR 46 -4.587 -3.402 -6.772 340 HE1 TYR 46 HE2 TYR 46 -8.719 -6.163 -6.398 341 HE2 TYR 46 HE1 TYR 46 -6.001 -3.763 -8.767 342 HH TYR 46 HH TYR 46 -8.928 -5.855 -8.690 343 H ASP 47 H ASP 47 -5.028 -6.674 -2.067 344 HA ASP 47 HA ASP 47 -6.140 -9.012 -3.544 345 HB2 ASP 47 HB2 ASP 47 -4.043 -9.657 -2.371 346 HB3 ASP 47 HB3 ASP 47 -4.730 -9.102 -0.856 347 H ASP 48 H ASP 48 -8.129 -8.055 -3.558 348 HA ASP 48 HA ASP 48 -9.213 -6.518 -1.433 349 HB2 ASP 48 HB2 ASP 48 -10.679 -5.963 -2.971 350 HB3 ASP 48 HB3 ASP 48 -9.912 -7.069 -4.094 351 H ALA 49 H ALA 49 -8.953 -9.977 -1.694 352 HA ALA 49 HA ALA 49 -11.227 -10.607 -0.028 353 HB1 ALA 49 HB1 ALA 49 -8.703 -12.203 -0.602 354 HB2 ALA 49 HB2 ALA 49 -10.189 -12.824 0.142 355 HB3 ALA 49 HB3 ALA 49 -10.206 -12.247 -1.538 356 H THR 50 H THR 50 -7.656 -10.483 0.619 357 HA THR 50 HA THR 50 -8.096 -10.548 3.522 358 HB THR 50 HB THR 50 -5.627 -10.184 3.597 359 HG1 THR 50 HG1 THR 50 -5.775 -10.474 0.771 360 HG21 THR 50 HG21 THR 50 -6.519 -12.457 3.600 361 HG22 THR 50 HG22 THR 50 -6.551 -12.480 1.827 362 HG23 THR 50 HG23 THR 50 -5.002 -12.372 2.687 363 H LYS 51 H LYS 51 -8.169 -8.124 1.128 364 HA LYS 51 HA LYS 51 -8.395 -5.924 1.125 365 HB2 LYS 51 HB2 LYS 51 -8.797 -5.993 4.144 366 HB3 LYS 51 HB3 LYS 51 -9.186 -4.671 3.041 367 HG2 LYS 51 HG2 LYS 51 -10.826 -6.125 1.865 368 HG3 LYS 51 HG3 LYS 51 -10.483 -7.432 3.008 369 HD2 LYS 51 HD2 LYS 51 -11.271 -6.039 4.878 370 HD3 LYS 51 HD3 LYS 51 -11.585 -4.690 3.757 371 HE2 LYS 51 HE2 LYS 51 -13.208 -6.045 2.519 372 HE3 LYS 51 HE3 LYS 51 -12.863 -7.459 3.528 373 HZ1 LYS 51 HZ1 LYS 51 -14.039 -4.915 4.496 374 HZ2 LYS 51 HZ2 LYS 51 -14.877 -6.277 4.213 375 HZ3 LYS 51 HZ3 LYS 51 -13.756 -6.223 5.430 376 H THR 52 H THR 52 -5.924 -6.988 0.919 377 HA THR 52 HA THR 52 -4.188 -5.080 2.416 378 HB THR 52 HB THR 52 -2.374 -6.697 2.052 379 HG1 THR 52 HG1 THR 52 -4.224 -8.697 1.359 380 HG21 THR 52 HG21 THR 52 -3.460 -6.907 4.183 381 HG22 THR 52 HG22 THR 52 -4.768 -7.896 3.504 382 HG23 THR 52 HG23 THR 52 -3.120 -8.527 3.578 383 H PHE 53 H PHE 53 -2.425 -4.151 1.273 384 HA PHE 53 HA PHE 53 -2.478 -4.301 -1.654 385 HB2 PHE 53 HB2 PHE 53 -3.915 -2.335 -0.513 386 HB3 PHE 53 HB3 PHE 53 -2.357 -1.572 -0.398 387 HD1 PHE 53 HD2 PHE 53 -1.341 -2.836 -3.210 388 HD2 PHE 53 HD1 PHE 53 -4.902 -0.728 -1.945 389 HE1 PHE 53 HE2 PHE 53 -1.684 -1.989 -5.512 390 HE2 PHE 53 HE1 PHE 53 -5.151 0.194 -4.230 391 HZ PHE 53 HZ PHE 53 -3.518 -0.434 -6.015 392 H THR 54 H THR 54 -0.568 -5.263 -1.742 393 HA THR 54 HA THR 54 1.623 -4.635 0.084 394 HB THR 54 HB THR 54 1.393 -6.768 -2.077 395 HG1 THR 54 HG1 THR 54 0.775 -8.116 -0.336 396 HG21 THR 54 HG21 THR 54 2.992 -6.709 0.521 397 HG22 THR 54 HG22 THR 54 3.007 -7.988 -0.699 398 HG23 THR 54 HG23 THR 54 3.669 -6.397 -1.088 399 H VAL 55 H VAL 55 3.576 -3.753 -0.594 400 HA VAL 55 HA VAL 55 3.862 -2.961 -3.459 401 HB VAL 55 HB VAL 55 4.994 -1.487 -1.024 402 HG11 VAL 55 HG11 VAL 55 6.310 -1.268 -3.102 403 HG12 VAL 55 HG12 VAL 55 4.855 -0.786 -3.993 404 HG13 VAL 55 HG13 VAL 55 5.508 0.261 -2.712 405 HG21 VAL 55 HG21 VAL 55 2.542 -0.863 -2.693 406 HG22 VAL 55 HG22 VAL 55 2.623 -1.139 -0.931 407 HG23 VAL 55 HG23 VAL 55 3.346 0.315 -1.627 408 H THR 56 H THR 56 5.131 -4.684 -4.163 409 HA THR 56 HA THR 56 7.284 -5.658 -2.370 410 HB THR 56 HB THR 56 5.959 -7.043 -4.706 411 HG1 THR 56 HG1 THR 56 4.592 -7.063 -3.115 412 HG21 THR 56 HG21 THR 56 7.174 -9.044 -3.625 413 HG22 THR 56 HG22 THR 56 8.149 -7.931 -4.603 414 HG23 THR 56 HG23 THR 56 8.227 -7.839 -2.847 415 H GLU 57 H GLU 57 9.219 -4.786 -2.759 416 HA GLU 57 HA GLU 57 9.951 -4.056 -5.554 417 HB2 GLU 57 HB2 GLU 57 9.623 -2.167 -3.846 418 HB3 GLU 57 HB3 GLU 57 11.002 -2.850 -2.973 419 HG2 GLU 57 HG2 GLU 57 12.380 -2.618 -5.077 420 HG3 GLU 57 HG3 GLU 57 11.001 -1.855 -5.868 Start of MODEL 14 1 H1 MET 1 H MET 1 -17.755 3.094 3.325 2 HA MET 1 HA MET 1 -15.718 2.849 2.023 3 HB2 MET 1 HB2 MET 1 -15.930 4.691 3.718 4 HB3 MET 1 HB3 MET 1 -14.977 3.697 4.839 5 HG2 MET 1 HG2 MET 1 -13.102 3.669 3.351 6 HG3 MET 1 HG3 MET 1 -14.064 4.314 2.017 7 HE1 MET 1 HE1 MET 1 -14.290 8.015 2.528 8 HE2 MET 1 HE2 MET 1 -14.319 6.663 1.376 9 HE3 MET 1 HE3 MET 1 -15.527 6.752 2.684 10 H GLY 2 H GLY 2 -13.727 1.799 1.640 11 HA2 GLY 2 HA2 GLY 2 -13.444 -0.814 2.905 12 HA3 GLY 2 HA3 GLY 2 -12.662 -0.156 1.464 13 H THR 3 H THR 3 -11.936 -1.111 4.553 14 HA THR 3 HA THR 3 -9.890 0.992 4.994 15 HB THR 3 HB THR 3 -10.779 -1.373 6.681 16 HG1 THR 3 HG1 THR 3 -11.730 0.333 7.863 17 HG21 THR 3 HG21 THR 3 -8.382 -0.749 7.097 18 HG22 THR 3 HG22 THR 3 -8.883 0.941 7.342 19 HG23 THR 3 HG23 THR 3 -9.419 -0.333 8.463 20 H TYR 4 H TYR 4 -8.202 0.729 3.644 21 HA TYR 4 HA TYR 4 -7.410 -1.965 2.787 22 HB2 TYR 4 HB2 TYR 4 -6.626 0.851 1.960 23 HB3 TYR 4 HB3 TYR 4 -5.746 -0.570 1.428 24 HD1 TYR 4 HD2 TYR 4 -9.029 1.187 1.192 25 HD2 TYR 4 HD1 TYR 4 -6.606 -2.114 -0.195 26 HE1 TYR 4 HE2 TYR 4 -10.623 0.799 -0.657 27 HE2 TYR 4 HE1 TYR 4 -8.171 -2.473 -2.072 28 HH TYR 4 HH TYR 4 -11.305 -0.868 -2.291 29 H LYS 5 H LYS 5 -5.786 -2.973 3.503 30 HA LYS 5 HA LYS 5 -4.137 -1.937 5.720 31 HB2 LYS 5 HB2 LYS 5 -5.475 -4.108 5.805 32 HB3 LYS 5 HB3 LYS 5 -4.401 -4.754 4.551 33 HG2 LYS 5 HG2 LYS 5 -2.458 -4.271 6.066 34 HG3 LYS 5 HG3 LYS 5 -3.619 -3.687 7.278 35 HD2 LYS 5 HD2 LYS 5 -4.552 -5.852 7.624 36 HD3 LYS 5 HD3 LYS 5 -3.791 -6.500 6.163 37 HE2 LYS 5 HE2 LYS 5 -2.531 -7.256 8.080 38 HE3 LYS 5 HE3 LYS 5 -1.558 -6.163 7.112 39 HZ1 LYS 5 HZ1 LYS 5 -1.312 -5.668 9.423 40 HZ2 LYS 5 HZ2 LYS 5 -2.050 -4.396 8.692 41 HZ3 LYS 5 HZ3 LYS 5 -2.924 -5.406 9.633 42 H LEU 6 H LEU 6 -2.256 -0.964 5.085 43 HA LEU 6 HA LEU 6 -1.105 -1.517 2.430 44 HB2 LEU 6 HB2 LEU 6 -1.512 0.800 3.700 45 HB3 LEU 6 HB3 LEU 6 -0.031 0.379 4.527 46 HG LEU 6 HG LEU 6 -0.488 1.012 1.608 47 HD11 LEU 6 HD11 LEU 6 1.216 2.718 2.038 48 HD12 LEU 6 HD12 LEU 6 0.021 2.795 3.355 49 HD13 LEU 6 HD13 LEU 6 1.565 1.981 3.616 50 HD21 LEU 6 HD21 LEU 6 1.905 0.592 1.141 51 HD22 LEU 6 HD22 LEU 6 2.027 -0.270 2.698 52 HD23 LEU 6 HD23 LEU 6 0.988 -0.872 1.388 53 H ILE 7 H ILE 7 0.845 -2.683 2.218 54 HA ILE 7 HA ILE 7 2.484 -3.191 4.614 55 HB ILE 7 HB ILE 7 1.676 -5.378 2.663 56 HG12 ILE 7 HG12 ILE 7 1.058 -6.430 5.068 57 HG13 ILE 7 HG13 ILE 7 0.776 -4.744 5.470 58 HG21 ILE 7 HG21 ILE 7 3.082 -6.799 4.169 59 HG22 ILE 7 HG22 ILE 7 4.033 -5.556 3.357 60 HG23 ILE 7 HG23 ILE 7 3.573 -5.345 5.062 61 HD11 ILE 7 HD11 ILE 7 -0.846 -4.628 3.544 62 HD12 ILE 7 HD12 ILE 7 -0.510 -6.333 3.199 63 HD13 ILE 7 HD13 ILE 7 -1.273 -5.876 4.731 64 H LEU 8 H LEU 8 4.475 -2.610 4.206 65 HA LEU 8 HA LEU 8 5.375 -1.808 1.470 66 HB2 LEU 8 HB2 LEU 8 5.855 -0.901 4.293 67 HB3 LEU 8 HB3 LEU 8 7.298 -1.034 3.323 68 HG LEU 8 HG LEU 8 6.477 0.596 1.724 69 HD11 LEU 8 HD11 LEU 8 4.110 0.195 1.774 70 HD12 LEU 8 HD12 LEU 8 4.001 0.727 3.475 71 HD13 LEU 8 HD13 LEU 8 4.415 1.885 2.183 72 HD21 LEU 8 HD21 LEU 8 7.733 1.377 3.686 73 HD22 LEU 8 HD22 LEU 8 6.470 2.559 3.322 74 HD23 LEU 8 HD23 LEU 8 6.261 1.422 4.660 75 H ASN 9 H ASN 9 6.679 -3.423 0.499 76 HA ASN 9 HA ASN 9 8.401 -5.043 2.305 77 HB2 ASN 9 HB2 ASN 9 6.427 -6.340 1.507 78 HB3 ASN 9 HB3 ASN 9 6.948 -6.070 -0.157 79 HD21 ASN 9 HD22 ASN 9 9.571 -6.610 -0.339 80 HD22 ASN 9 HD21 ASN 9 9.902 -8.207 0.264 81 H GLY 10 H GLY 10 9.948 -3.346 1.942 82 HA2 GLY 10 HA2 GLY 10 10.849 -2.773 -0.779 83 HA3 GLY 10 HA3 GLY 10 11.400 -2.037 0.733 84 H LYS 11 H LYS 11 13.486 -2.360 -0.347 85 HA LYS 11 HA LYS 11 14.577 -5.139 -0.222 86 HB2 LYS 11 HB2 LYS 11 16.471 -4.293 -1.501 87 HB3 LYS 11 HB3 LYS 11 14.977 -4.048 -2.375 88 HG2 LYS 11 HG2 LYS 11 15.876 -1.710 -0.692 89 HG3 LYS 11 HG3 LYS 11 16.943 -2.150 -2.027 90 HD2 LYS 11 HD2 LYS 11 15.184 -1.918 -3.642 91 HD3 LYS 11 HD3 LYS 11 13.953 -1.716 -2.376 92 HE2 LYS 11 HE2 LYS 11 14.855 0.413 -1.701 93 HE3 LYS 11 HE3 LYS 11 16.293 0.205 -2.729 94 HZ1 LYS 11 HZ1 LYS 11 13.818 0.021 -4.160 95 HZ2 LYS 11 HZ2 LYS 11 14.090 1.513 -3.510 96 HZ3 LYS 11 HZ3 LYS 11 15.185 0.853 -4.520 97 H THR 12 H THR 12 14.610 -2.137 1.439 98 HA THR 12 HA THR 12 17.037 -2.968 2.987 99 HB THR 12 HB THR 12 15.827 -0.252 2.341 100 HG1 THR 12 HG1 THR 12 17.442 -0.086 0.975 101 HG21 THR 12 HG21 THR 12 18.247 -0.904 4.060 102 HG22 THR 12 HG22 THR 12 17.886 0.706 3.386 103 HG23 THR 12 HG23 THR 12 16.779 -0.023 4.549 104 H LEU 13 H LEU 13 13.626 -1.946 3.194 105 HA LEU 13 HA LEU 13 13.477 -2.857 5.924 106 HB2 LEU 13 HB2 LEU 13 12.578 -0.844 6.838 107 HB3 LEU 13 HB3 LEU 13 14.113 -0.464 6.116 108 HG LEU 13 HG LEU 13 12.748 1.357 5.686 109 HD11 LEU 13 HD11 LEU 13 12.585 -0.191 3.078 110 HD12 LEU 13 HD12 LEU 13 12.532 1.554 3.277 111 HD13 LEU 13 HD13 LEU 13 14.021 0.691 3.682 112 HD21 LEU 13 HD21 LEU 13 10.547 1.448 4.866 113 HD22 LEU 13 HD22 LEU 13 10.515 -0.265 4.433 114 HD23 LEU 13 HD23 LEU 13 10.543 0.215 6.134 115 H LYS 14 H LYS 14 11.152 -2.789 6.645 116 HA LYS 14 HA LYS 14 9.185 -3.006 4.456 117 HB2 LYS 14 HB2 LYS 14 9.536 -5.022 6.722 118 HB3 LYS 14 HB3 LYS 14 8.220 -5.001 5.544 119 HG2 LYS 14 HG2 LYS 14 10.110 -5.114 3.736 120 HG3 LYS 14 HG3 LYS 14 11.159 -5.594 5.071 121 HD2 LYS 14 HD2 LYS 14 9.575 -7.503 5.549 122 HD3 LYS 14 HD3 LYS 14 8.643 -7.014 4.111 123 HE2 LYS 14 HE2 LYS 14 10.801 -7.225 2.772 124 HE3 LYS 14 HE3 LYS 14 11.558 -7.908 4.211 125 HZ1 LYS 14 HZ1 LYS 14 10.799 -9.620 2.722 126 HZ2 LYS 14 HZ2 LYS 14 9.901 -9.717 4.100 127 HZ3 LYS 14 HZ3 LYS 14 9.254 -9.041 2.752 128 H GLY 15 H GLY 15 6.902 -2.845 5.393 129 HA2 GLY 15 HA2 GLY 15 6.676 -1.547 8.011 130 HA3 GLY 15 HA3 GLY 15 6.387 -0.500 6.619 131 H GLU 16 H GLU 16 4.313 -0.861 8.367 132 HA GLU 16 HA GLU 16 2.307 -2.188 6.694 133 HB2 GLU 16 HB2 GLU 16 3.156 -4.043 8.066 134 HB3 GLU 16 HB3 GLU 16 2.976 -3.082 9.530 135 HG2 GLU 16 HG2 GLU 16 0.528 -2.953 9.059 136 HG3 GLU 16 HG3 GLU 16 0.745 -4.082 7.723 137 H THR 17 H THR 17 0.687 -0.612 6.595 138 HA THR 17 HA THR 17 -0.069 0.907 9.029 139 HB THR 17 HB THR 17 -0.209 2.934 7.362 140 HG1 THR 17 HG1 THR 17 1.712 2.834 6.017 141 HG21 THR 17 HG21 THR 17 1.265 2.790 9.381 142 HG22 THR 17 HG22 THR 17 2.511 2.023 8.382 143 HG23 THR 17 HG23 THR 17 1.993 3.689 8.045 144 H THR 18 H THR 18 -2.203 2.348 8.308 145 HA THR 18 HA THR 18 -3.951 0.653 6.593 146 HB THR 18 HB THR 18 -5.724 1.104 8.446 147 HG1 THR 18 HG1 THR 18 -4.451 2.448 9.795 148 HG21 THR 18 HG21 THR 18 -3.564 -0.878 9.197 149 HG22 THR 18 HG22 THR 18 -5.288 -0.943 9.602 150 HG23 THR 18 HG23 THR 18 -4.774 -1.168 7.914 151 H THR 19 H THR 19 -5.469 1.872 5.396 152 HA THR 19 HA THR 19 -6.133 4.551 6.275 153 HB THR 19 HB THR 19 -4.834 4.299 3.547 154 HG1 THR 19 HG1 THR 19 -3.793 4.693 6.054 155 HG21 THR 19 HG21 THR 19 -6.504 6.123 3.794 156 HG22 THR 19 HG22 THR 19 -5.603 6.733 5.201 157 HG23 THR 19 HG23 THR 19 -4.854 6.736 3.596 158 H GLU 20 H GLU 20 -8.268 5.067 5.579 159 HA GLU 20 HA GLU 20 -9.600 2.895 4.123 160 HB2 GLU 20 HB2 GLU 20 -11.660 3.816 5.094 161 HB3 GLU 20 HB3 GLU 20 -10.470 3.284 6.271 162 HG2 GLU 20 HG2 GLU 20 -9.768 5.693 6.595 163 HG3 GLU 20 HG3 GLU 20 -11.093 6.165 5.530 164 H ALA 21 H ALA 21 -10.833 3.160 2.299 165 HA ALA 21 HA ALA 21 -11.157 5.746 1.023 166 HB1 ALA 21 HB1 ALA 21 -8.861 5.208 0.306 167 HB2 ALA 21 HB2 ALA 21 -9.361 3.557 -0.143 168 HB3 ALA 21 HB3 ALA 21 -9.978 4.942 -1.049 169 H VAL 22 H VAL 22 -12.448 5.544 -0.978 170 HA VAL 22 HA VAL 22 -14.517 3.545 -0.649 171 HB VAL 22 HB VAL 22 -15.047 5.794 -1.370 172 HG11 VAL 22 HG11 VAL 22 -14.524 6.668 -3.594 173 HG12 VAL 22 HG12 VAL 22 -13.016 6.301 -2.747 174 HG13 VAL 22 HG13 VAL 22 -13.625 5.212 -4.005 175 HG21 VAL 22 HG21 VAL 22 -15.693 3.829 -3.606 176 HG22 VAL 22 HG22 VAL 22 -16.544 3.930 -2.053 177 HG23 VAL 22 HG23 VAL 22 -16.591 5.295 -3.181 178 H ASP 23 H ASP 23 -11.735 3.977 -2.933 179 HA ASP 23 HA ASP 23 -12.042 1.157 -3.763 180 HB2 ASP 23 HB2 ASP 23 -11.858 3.609 -5.566 181 HB3 ASP 23 HB3 ASP 23 -11.460 1.983 -6.114 182 H ALA 24 H ALA 24 -10.116 0.354 -4.743 183 HA ALA 24 HA ALA 24 -7.774 0.915 -3.320 184 HB1 ALA 24 HB1 ALA 24 -6.689 -0.580 -4.995 185 HB2 ALA 24 HB2 ALA 24 -8.225 -1.240 -4.400 186 HB3 ALA 24 HB3 ALA 24 -8.150 -0.467 -5.994 187 H ALA 25 H ALA 25 -8.923 2.383 -6.347 188 HA ALA 25 HA ALA 25 -6.473 3.400 -7.266 189 HB1 ALA 25 HB1 ALA 25 -8.534 3.447 -8.586 190 HB2 ALA 25 HB2 ALA 25 -9.245 4.645 -7.482 191 HB3 ALA 25 HB3 ALA 25 -7.827 5.071 -8.478 192 H THR 26 H THR 26 -8.729 4.843 -4.827 193 HA THR 26 HA THR 26 -7.149 7.254 -4.526 194 HB THR 26 HB THR 26 -9.133 5.933 -2.647 195 HG1 THR 26 HG1 THR 26 -9.582 7.871 -4.667 196 HG21 THR 26 HG21 THR 26 -7.820 7.738 -1.552 197 HG22 THR 26 HG22 THR 26 -8.311 8.862 -2.833 198 HG23 THR 26 HG23 THR 26 -9.513 8.173 -1.718 199 H ALA 27 H ALA 27 -7.323 4.043 -2.965 200 HA ALA 27 HA ALA 27 -5.628 4.534 -0.765 201 HB1 ALA 27 HB1 ALA 27 -5.918 1.899 -2.273 202 HB2 ALA 27 HB2 ALA 27 -5.460 2.140 -0.590 203 HB3 ALA 27 HB3 ALA 27 -7.107 2.517 -1.101 204 H GLU 28 H GLU 28 -4.842 3.190 -3.990 205 HA GLU 28 HA GLU 28 -2.115 2.866 -3.832 206 HB2 GLU 28 HB2 GLU 28 -3.637 2.203 -5.706 207 HB3 GLU 28 HB3 GLU 28 -3.759 3.877 -6.201 208 HG2 GLU 28 HG2 GLU 28 -1.332 3.938 -6.665 209 HG3 GLU 28 HG3 GLU 28 -1.185 2.252 -6.125 210 H LYS 29 H LYS 29 -3.825 5.799 -4.975 211 HA LYS 29 HA LYS 29 -1.625 7.467 -5.433 212 HB2 LYS 29 HB2 LYS 29 -3.951 7.900 -6.158 213 HB3 LYS 29 HB3 LYS 29 -4.435 8.156 -4.478 214 HG2 LYS 29 HG2 LYS 29 -2.767 10.099 -4.398 215 HG3 LYS 29 HG3 LYS 29 -2.527 9.856 -6.134 216 HD2 LYS 29 HD2 LYS 29 -4.092 11.608 -5.907 217 HD3 LYS 29 HD3 LYS 29 -5.034 10.186 -6.383 218 HE2 LYS 29 HE2 LYS 29 -5.739 9.845 -4.038 219 HE3 LYS 29 HE3 LYS 29 -4.706 11.190 -3.521 220 HZ1 LYS 29 HZ1 LYS 29 -6.050 12.659 -4.874 221 HZ2 LYS 29 HZ2 LYS 29 -7.054 11.448 -5.308 222 HZ3 LYS 29 HZ3 LYS 29 -6.946 11.941 -3.724 223 H VAL 30 H VAL 30 -3.584 7.217 -2.408 224 HA VAL 30 HA VAL 30 -2.033 9.166 -0.978 225 HB VAL 30 HB VAL 30 -3.977 6.979 -0.150 226 HG11 VAL 30 HG11 VAL 30 -4.086 8.258 2.057 227 HG12 VAL 30 HG12 VAL 30 -2.637 7.268 1.815 228 HG13 VAL 30 HG13 VAL 30 -2.553 9.022 1.583 229 HG21 VAL 30 HG21 VAL 30 -4.208 10.025 -0.254 230 HG22 VAL 30 HG22 VAL 30 -4.899 8.908 -1.448 231 HG23 VAL 30 HG23 VAL 30 -5.491 8.895 0.212 232 H PHE 31 H PHE 31 -1.998 5.550 -0.832 233 HA PHE 31 HA PHE 31 0.104 5.244 0.957 234 HB2 PHE 31 HB2 PHE 31 -0.724 3.575 -1.438 235 HB3 PHE 31 HB3 PHE 31 0.369 3.024 -0.171 236 HD1 PHE 31 HD2 PHE 31 -1.435 4.363 2.165 237 HD2 PHE 31 HD1 PHE 31 -2.114 1.604 -1.094 238 HE1 PHE 31 HE2 PHE 31 -3.030 3.111 3.534 239 HE2 PHE 31 HE1 PHE 31 -3.816 0.443 0.260 240 HZ PHE 31 HZ PHE 31 -4.266 1.176 2.605 241 H LYS 32 H LYS 32 0.301 6.037 -2.482 242 HA LYS 32 HA LYS 32 2.934 5.388 -3.078 243 HB2 LYS 32 HB2 LYS 32 0.964 6.495 -4.458 244 HB3 LYS 32 HB3 LYS 32 1.726 8.013 -4.009 245 HG2 LYS 32 HG2 LYS 32 3.764 7.398 -5.133 246 HG3 LYS 32 HG3 LYS 32 3.230 5.711 -5.326 247 HD2 LYS 32 HD2 LYS 32 1.268 6.643 -6.706 248 HD3 LYS 32 HD3 LYS 32 2.140 8.178 -6.732 249 HE2 LYS 32 HE2 LYS 32 3.054 5.479 -7.786 250 HE3 LYS 32 HE3 LYS 32 2.549 6.857 -8.765 251 HZ1 LYS 32 HZ1 LYS 32 4.961 6.715 -7.067 252 HZ2 LYS 32 HZ2 LYS 32 4.947 6.658 -8.688 253 HZ3 LYS 32 HZ3 LYS 32 4.501 8.054 -7.913 254 H GLN 33 H GLN 33 1.744 8.097 -1.148 255 HA GLN 33 HA GLN 33 4.219 9.587 -1.106 256 HB2 GLN 33 HB2 GLN 33 1.863 9.662 0.843 257 HB3 GLN 33 HB3 GLN 33 3.152 10.858 0.689 258 HG2 GLN 33 HG2 GLN 33 2.416 11.231 -1.711 259 HG3 GLN 33 HG3 GLN 33 1.021 10.192 -1.389 260 HE21 GLN 33 HE22 GLN 33 0.004 11.046 1.113 261 HE22 GLN 33 HE21 GLN 33 -0.289 12.763 1.001 262 H TYR 34 H TYR 34 2.588 7.458 1.316 263 HA TYR 34 HA TYR 34 4.665 7.520 3.223 264 HB2 TYR 34 HB2 TYR 34 2.380 6.694 3.701 265 HB3 TYR 34 HB3 TYR 34 2.658 5.305 2.666 266 HD1 TYR 34 HD2 TYR 34 4.444 7.023 5.549 267 HD2 TYR 34 HD1 TYR 34 3.230 3.305 3.756 268 HE1 TYR 34 HE2 TYR 34 5.381 5.807 7.459 269 HE2 TYR 34 HE1 TYR 34 4.101 2.060 5.720 270 HH TYR 34 HH TYR 34 5.073 2.263 7.932 271 H ALA 35 H ALA 35 4.126 5.104 0.594 272 HA ALA 35 HA ALA 35 6.296 3.461 1.403 273 HB1 ALA 35 HB1 ALA 35 6.105 2.451 -0.805 274 HB2 ALA 35 HB2 ALA 35 4.492 2.757 -0.143 275 HB3 ALA 35 HB3 ALA 35 5.165 3.837 -1.392 276 H ASN 36 H ASN 36 6.300 5.893 -1.292 277 HA ASN 36 HA ASN 36 9.055 5.544 -1.735 278 HB2 ASN 36 HB2 ASN 36 7.336 6.688 -3.249 279 HB3 ASN 36 HB3 ASN 36 7.674 8.173 -2.340 280 HD21 ASN 36 HD22 ASN 36 9.100 5.597 -4.382 281 HD22 ASN 36 HD21 ASN 36 10.527 6.462 -4.838 282 H ASP 37 H ASP 37 7.444 7.863 0.470 283 HA ASP 37 HA ASP 37 9.826 9.353 1.057 284 HB2 ASP 37 HB2 ASP 37 7.519 10.179 1.375 285 HB3 ASP 37 HB3 ASP 37 7.290 9.004 2.676 286 H ASN 38 H ASN 38 8.797 6.193 2.038 287 HA ASN 38 HA ASN 38 10.618 6.177 4.385 288 HB2 ASN 38 HB2 ASN 38 8.126 5.289 4.268 289 HB3 ASN 38 HB3 ASN 38 8.889 3.847 3.603 290 HD21 ASN 38 HD22 ASN 38 7.402 4.418 6.138 291 HD22 ASN 38 HD21 ASN 38 8.468 3.977 7.460 292 H GLY 39 H GLY 39 10.910 5.734 1.099 293 HA2 GLY 39 HA2 GLY 39 12.782 4.936 -0.024 294 HA3 GLY 39 HA3 GLY 39 13.319 4.091 1.416 295 H VAL 40 H VAL 40 9.982 3.569 0.240 296 HA VAL 40 HA VAL 40 10.809 0.917 -0.837 297 HB VAL 40 HB VAL 40 8.314 1.611 0.766 298 HG11 VAL 40 HG11 VAL 40 7.972 -0.907 0.691 299 HG12 VAL 40 HG12 VAL 40 7.784 -0.107 -0.871 300 HG13 VAL 40 HG13 VAL 40 9.273 -0.991 -0.508 301 HG21 VAL 40 HG21 VAL 40 9.288 -0.012 2.427 302 HG22 VAL 40 HG22 VAL 40 10.793 0.002 1.494 303 HG23 VAL 40 HG23 VAL 40 10.209 1.485 2.273 304 H ASP 41 H ASP 41 10.219 0.582 -2.897 305 HA ASP 41 HA ASP 41 7.837 1.781 -4.046 306 HB2 ASP 41 HB2 ASP 41 9.495 3.630 -4.272 307 HB3 ASP 41 HB3 ASP 41 10.594 2.537 -5.119 308 H GLY 42 H GLY 42 7.070 -0.137 -4.850 309 HA2 GLY 42 HA2 GLY 42 8.774 -1.823 -6.531 310 HA3 GLY 42 HA3 GLY 42 8.080 -2.564 -5.067 311 H GLU 43 H GLU 43 6.980 -3.958 -6.743 312 HA GLU 43 HA GLU 43 5.057 -2.786 -8.461 313 HB2 GLU 43 HB2 GLU 43 6.251 -4.980 -8.755 314 HB3 GLU 43 HB3 GLU 43 5.282 -5.656 -7.446 315 HG2 GLU 43 HG2 GLU 43 4.449 -6.197 -9.763 316 HG3 GLU 43 HG3 GLU 43 3.259 -5.406 -8.709 317 H TRP 44 H TRP 44 3.203 -1.969 -7.984 318 HA TRP 44 HA TRP 44 1.964 -2.127 -5.348 319 HB2 TRP 44 HB2 TRP 44 1.424 -0.538 -7.895 320 HB3 TRP 44 HB3 TRP 44 0.452 -0.392 -6.453 321 HD1 TRP 44 HD1 TRP 44 4.015 0.341 -7.699 322 HE1 TRP 44 HE1 TRP 44 5.160 1.969 -6.134 323 HE3 TRP 44 HE3 TRP 44 0.355 0.654 -4.160 324 HZ2 TRP 44 HZ2 TRP 44 4.556 3.274 -3.604 325 HZ3 TRP 44 HZ3 TRP 44 0.685 2.014 -2.144 326 HH2 TRP 44 HH2 TRP 44 2.784 3.333 -1.829 327 H THR 45 H THR 45 0.951 -4.130 -5.112 328 HA THR 45 HA THR 45 -1.220 -4.739 -7.071 329 HB THR 45 HB THR 45 0.312 -6.708 -5.380 330 HG1 THR 45 HG1 THR 45 0.883 -5.825 -8.031 331 HG21 THR 45 HG21 THR 45 -1.325 -7.111 -7.912 332 HG22 THR 45 HG22 THR 45 -0.484 -8.367 -6.984 333 HG23 THR 45 HG23 THR 45 -1.852 -7.511 -6.263 334 H TYR 46 H TYR 46 -3.234 -4.983 -6.287 335 HA TYR 46 HA TYR 46 -3.764 -4.695 -3.389 336 HB2 TYR 46 HB2 TYR 46 -5.792 -3.550 -4.083 337 HB3 TYR 46 HB3 TYR 46 -4.408 -2.777 -4.837 338 HD1 TYR 46 HD1 TYR 46 -3.959 -3.080 -7.312 339 HD2 TYR 46 HD2 TYR 46 -7.464 -4.773 -5.410 340 HE1 TYR 46 HE1 TYR 46 -4.828 -3.768 -9.515 341 HE2 TYR 46 HE2 TYR 46 -8.324 -5.433 -7.606 342 HH TYR 46 HH TYR 46 -7.694 -5.884 -9.794 343 H ASP 47 H ASP 47 -5.477 -5.916 -2.486 344 HA ASP 47 HA ASP 47 -6.747 -8.072 -4.067 345 HB2 ASP 47 HB2 ASP 47 -4.974 -9.326 -3.118 346 HB3 ASP 47 HB3 ASP 47 -4.992 -8.381 -1.610 347 H ASP 48 H ASP 48 -8.937 -7.617 -3.740 348 HA ASP 48 HA ASP 48 -9.718 -5.999 -1.456 349 HB2 ASP 48 HB2 ASP 48 -11.817 -5.798 -2.291 350 HB3 ASP 48 HB3 ASP 48 -10.872 -5.908 -3.733 351 H ALA 49 H ALA 49 -9.609 -9.474 -2.052 352 HA ALA 49 HA ALA 49 -11.595 -10.288 -0.224 353 HB1 ALA 49 HB1 ALA 49 -9.031 -11.728 -0.957 354 HB2 ALA 49 HB2 ALA 49 -10.470 -12.444 -0.201 355 HB3 ALA 49 HB3 ALA 49 -10.583 -11.780 -1.838 356 H THR 50 H THR 50 -8.099 -9.647 0.378 357 HA THR 50 HA THR 50 -8.641 -9.779 3.310 358 HB THR 50 HB THR 50 -5.864 -9.474 2.268 359 HG1 THR 50 HG1 THR 50 -6.466 -10.904 0.812 360 HG21 THR 50 HG21 THR 50 -7.125 -11.319 4.326 361 HG22 THR 50 HG22 THR 50 -5.383 -11.143 4.014 362 HG23 THR 50 HG23 THR 50 -6.307 -9.784 4.672 363 H LYS 51 H LYS 51 -8.608 -7.546 0.820 364 HA LYS 51 HA LYS 51 -8.429 -5.329 0.614 365 HB2 LYS 51 HB2 LYS 51 -8.764 -5.293 3.625 366 HB3 LYS 51 HB3 LYS 51 -8.853 -3.881 2.569 367 HG2 LYS 51 HG2 LYS 51 -10.755 -4.844 1.374 368 HG3 LYS 51 HG3 LYS 51 -10.716 -6.278 2.422 369 HD2 LYS 51 HD2 LYS 51 -11.201 -4.924 4.393 370 HD3 LYS 51 HD3 LYS 51 -11.041 -3.436 3.470 371 HE2 LYS 51 HE2 LYS 51 -13.374 -4.056 3.981 372 HE3 LYS 51 HE3 LYS 51 -13.059 -3.820 2.258 373 HZ1 LYS 51 HZ1 LYS 51 -13.058 -6.490 3.497 374 HZ2 LYS 51 HZ2 LYS 51 -14.430 -5.776 2.909 375 HZ3 LYS 51 HZ3 LYS 51 -13.181 -6.075 1.885 376 H THR 52 H THR 52 -5.969 -7.049 1.142 377 HA THR 52 HA THR 52 -4.090 -5.167 2.336 378 HB THR 52 HB THR 52 -2.466 -7.031 1.610 379 HG1 THR 52 HG1 THR 52 -4.118 -7.963 0.135 380 HG21 THR 52 HG21 THR 52 -4.724 -7.699 3.558 381 HG22 THR 52 HG22 THR 52 -3.129 -8.469 3.513 382 HG23 THR 52 HG23 THR 52 -3.265 -6.759 3.917 383 H PHE 53 H PHE 53 -2.688 -3.888 1.244 384 HA PHE 53 HA PHE 53 -2.559 -4.063 -1.716 385 HB2 PHE 53 HB2 PHE 53 -4.051 -2.173 -0.691 386 HB3 PHE 53 HB3 PHE 53 -2.533 -1.428 -0.217 387 HD1 PHE 53 HD2 PHE 53 -1.027 -2.454 -2.913 388 HD2 PHE 53 HD1 PHE 53 -4.741 -0.377 -2.114 389 HE1 PHE 53 HE2 PHE 53 -1.000 -1.522 -5.171 390 HE2 PHE 53 HE1 PHE 53 -4.660 0.573 -4.397 391 HZ PHE 53 HZ PHE 53 -2.796 0.005 -5.930 392 H THR 54 H THR 54 -0.592 -5.017 -1.810 393 HA THR 54 HA THR 54 1.495 -4.145 0.087 394 HB THR 54 HB THR 54 1.515 -6.625 -1.632 395 HG1 THR 54 HG1 THR 54 0.306 -7.597 -0.288 396 HG21 THR 54 HG21 THR 54 3.669 -6.052 -0.607 397 HG22 THR 54 HG22 THR 54 2.919 -5.832 0.967 398 HG23 THR 54 HG23 THR 54 2.960 -7.442 0.234 399 H VAL 55 H VAL 55 3.395 -3.321 -0.542 400 HA VAL 55 HA VAL 55 3.842 -2.680 -3.425 401 HB VAL 55 HB VAL 55 5.109 -1.414 -0.932 402 HG11 VAL 55 HG11 VAL 55 6.398 -1.175 -3.005 403 HG12 VAL 55 HG12 VAL 55 4.972 -0.530 -3.853 404 HG13 VAL 55 HG13 VAL 55 5.718 0.389 -2.524 405 HG21 VAL 55 HG21 VAL 55 2.699 -0.469 -2.502 406 HG22 VAL 55 HG22 VAL 55 2.758 -0.899 -0.775 407 HG23 VAL 55 HG23 VAL 55 3.614 0.530 -1.349 408 H THR 56 H THR 56 5.068 -4.461 -4.184 409 HA THR 56 HA THR 56 7.176 -5.520 -2.342 410 HB THR 56 HB THR 56 5.687 -7.128 -4.434 411 HG1 THR 56 HG1 THR 56 4.130 -6.809 -3.127 412 HG21 THR 56 HG21 THR 56 7.363 -7.932 -2.009 413 HG22 THR 56 HG22 THR 56 6.473 -9.050 -3.064 414 HG23 THR 56 HG23 THR 56 7.815 -8.109 -3.718 415 H GLU 57 H GLU 57 9.121 -4.840 -3.039 416 HA GLU 57 HA GLU 57 9.560 -4.566 -5.980 417 HB2 GLU 57 HB2 GLU 57 10.253 -2.688 -4.324 418 HB3 GLU 57 HB3 GLU 57 11.524 -3.796 -3.784 419 HG2 GLU 57 HG2 GLU 57 12.102 -4.048 -6.314 420 HG3 GLU 57 HG3 GLU 57 11.061 -2.658 -6.578 Start of MODEL 15 1 H1 MET 1 H MET 1 -16.637 3.779 4.868 2 HA MET 1 HA MET 1 -16.263 2.036 3.252 3 HB2 MET 1 HB2 MET 1 -14.138 4.216 3.224 4 HB3 MET 1 HB3 MET 1 -14.353 3.047 1.917 5 HG2 MET 1 HG2 MET 1 -16.726 3.672 1.726 6 HG3 MET 1 HG3 MET 1 -16.501 4.927 2.944 7 HE1 MET 1 HE1 MET 1 -17.852 6.279 1.095 8 HE2 MET 1 HE2 MET 1 -17.166 6.780 -0.466 9 HE3 MET 1 HE3 MET 1 -17.696 5.103 -0.224 10 H GLY 2 H GLY 2 -14.228 0.842 2.078 11 HA2 GLY 2 HA2 GLY 2 -13.399 -1.137 3.964 12 HA3 GLY 2 HA3 GLY 2 -12.937 -0.982 2.271 13 H THR 3 H THR 3 -11.300 -1.525 4.783 14 HA THR 3 HA THR 3 -9.404 0.773 4.660 15 HB THR 3 HB THR 3 -9.760 -1.460 6.697 16 HG1 THR 3 HG1 THR 3 -10.885 -0.096 7.691 17 HG21 THR 3 HG21 THR 3 -7.741 0.826 6.623 18 HG22 THR 3 HG22 THR 3 -8.073 -0.208 8.035 19 HG23 THR 3 HG23 THR 3 -7.377 -0.912 6.571 20 H TYR 4 H TYR 4 -7.742 0.473 3.287 21 HA TYR 4 HA TYR 4 -7.036 -2.269 2.397 22 HB2 TYR 4 HB2 TYR 4 -6.246 0.533 1.463 23 HB3 TYR 4 HB3 TYR 4 -5.440 -0.921 0.916 24 HD1 TYR 4 HD1 TYR 4 -6.858 -2.778 -0.255 25 HD2 TYR 4 HD2 TYR 4 -8.170 1.304 0.292 26 HE1 TYR 4 HE1 TYR 4 -8.482 -3.055 -2.086 27 HE2 TYR 4 HE2 TYR 4 -9.749 1.038 -1.582 28 HH TYR 4 HH TYR 4 -10.435 -2.069 -3.112 29 H LYS 5 H LYS 5 -5.541 -3.244 3.643 30 HA LYS 5 HA LYS 5 -3.858 -1.658 5.471 31 HB2 LYS 5 HB2 LYS 5 -3.821 -4.659 4.927 32 HB3 LYS 5 HB3 LYS 5 -3.039 -3.787 6.264 33 HG2 LYS 5 HG2 LYS 5 -5.443 -2.971 6.880 34 HG3 LYS 5 HG3 LYS 5 -6.016 -4.175 5.746 35 HD2 LYS 5 HD2 LYS 5 -4.767 -5.927 7.030 36 HD3 LYS 5 HD3 LYS 5 -4.260 -4.686 8.184 37 HE2 LYS 5 HE2 LYS 5 -6.234 -4.771 9.271 38 HE3 LYS 5 HE3 LYS 5 -7.120 -4.457 7.773 39 HZ1 LYS 5 HZ1 LYS 5 -7.004 -6.755 7.241 40 HZ2 LYS 5 HZ2 LYS 5 -6.179 -7.113 8.612 41 HZ3 LYS 5 HZ3 LYS 5 -7.750 -6.606 8.693 42 H LEU 6 H LEU 6 -2.020 -0.780 4.784 43 HA LEU 6 HA LEU 6 -0.915 -1.543 2.176 44 HB2 LEU 6 HB2 LEU 6 -1.361 0.878 3.214 45 HB3 LEU 6 HB3 LEU 6 0.179 0.620 3.992 46 HG LEU 6 HG LEU 6 0.511 1.895 2.006 47 HD11 LEU 6 HD11 LEU 6 2.239 0.106 2.363 48 HD12 LEU 6 HD12 LEU 6 1.393 -0.895 1.170 49 HD13 LEU 6 HD13 LEU 6 2.080 0.669 0.696 50 HD21 LEU 6 HD21 LEU 6 -1.631 1.131 0.886 51 HD22 LEU 6 HD22 LEU 6 -0.232 1.263 -0.185 52 HD23 LEU 6 HD23 LEU 6 -0.789 -0.319 0.391 53 H ILE 7 H ILE 7 0.837 -2.931 2.094 54 HA ILE 7 HA ILE 7 2.535 -3.166 4.532 55 HB ILE 7 HB ILE 7 1.698 -5.497 2.759 56 HG12 ILE 7 HG12 ILE 7 1.072 -6.501 5.039 57 HG13 ILE 7 HG13 ILE 7 1.148 -4.874 5.696 58 HG21 ILE 7 HG21 ILE 7 3.715 -5.240 5.050 59 HG22 ILE 7 HG22 ILE 7 3.155 -6.783 4.388 60 HG23 ILE 7 HG23 ILE 7 4.063 -5.678 3.363 61 HD11 ILE 7 HD11 ILE 7 -0.759 -4.216 4.384 62 HD12 ILE 7 HD12 ILE 7 -0.679 -5.699 3.394 63 HD13 ILE 7 HD13 ILE 7 -1.143 -5.771 5.111 64 H LEU 8 H LEU 8 4.320 -2.205 4.057 65 HA LEU 8 HA LEU 8 5.361 -1.944 1.290 66 HB2 LEU 8 HB2 LEU 8 5.663 -0.560 3.885 67 HB3 LEU 8 HB3 LEU 8 7.231 -1.083 3.295 68 HG LEU 8 HG LEU 8 6.919 0.128 1.207 69 HD11 LEU 8 HD11 LEU 8 5.088 1.764 0.952 70 HD12 LEU 8 HD12 LEU 8 4.476 0.105 0.969 71 HD13 LEU 8 HD13 LEU 8 4.321 1.118 2.416 72 HD21 LEU 8 HD21 LEU 8 7.151 2.372 2.206 73 HD22 LEU 8 HD22 LEU 8 6.372 1.809 3.697 74 HD23 LEU 8 HD23 LEU 8 7.968 1.174 3.215 75 H ASN 9 H ASN 9 6.405 -3.822 0.561 76 HA ASN 9 HA ASN 9 7.975 -5.418 2.547 77 HB2 ASN 9 HB2 ASN 9 5.979 -6.632 1.872 78 HB3 ASN 9 HB3 ASN 9 6.303 -6.279 0.168 79 HD21 ASN 9 HD22 ASN 9 7.067 -8.054 -0.843 80 HD22 ASN 9 HD21 ASN 9 8.298 -9.141 -0.223 81 H GLY 10 H GLY 10 9.636 -3.842 2.087 82 HA2 GLY 10 HA2 GLY 10 10.654 -3.621 -0.640 83 HA3 GLY 10 HA3 GLY 10 11.228 -2.810 0.825 84 H LYS 11 H LYS 11 13.113 -3.520 -0.636 85 HA LYS 11 HA LYS 11 14.163 -6.239 -0.062 86 HB2 LYS 11 HB2 LYS 11 16.006 -5.561 -1.575 87 HB3 LYS 11 HB3 LYS 11 14.440 -5.444 -2.326 88 HG2 LYS 11 HG2 LYS 11 15.138 -2.862 -1.090 89 HG3 LYS 11 HG3 LYS 11 16.444 -3.418 -2.132 90 HD2 LYS 11 HD2 LYS 11 14.962 -3.662 -4.003 91 HD3 LYS 11 HD3 LYS 11 13.525 -3.397 -3.007 92 HE2 LYS 11 HE2 LYS 11 13.920 -1.433 -4.291 93 HE3 LYS 11 HE3 LYS 11 14.251 -1.055 -2.592 94 HZ1 LYS 11 HZ1 LYS 11 16.256 -1.702 -4.643 95 HZ2 LYS 11 HZ2 LYS 11 15.861 -0.193 -4.186 96 HZ3 LYS 11 HZ3 LYS 11 16.593 -1.210 -3.089 97 H THR 12 H THR 12 14.246 -3.204 1.455 98 HA THR 12 HA THR 12 16.697 -4.015 2.930 99 HB THR 12 HB THR 12 16.156 -1.159 2.052 100 HG1 THR 12 HG1 THR 12 17.948 -3.020 0.839 101 HG21 THR 12 HG21 THR 12 18.560 -0.824 2.534 102 HG22 THR 12 HG22 THR 12 17.681 -1.341 3.976 103 HG23 THR 12 HG23 THR 12 18.693 -2.508 3.087 104 H LEU 13 H LEU 13 13.510 -2.359 2.994 105 HA LEU 13 HA LEU 13 13.404 -2.789 5.825 106 HB2 LEU 13 HB2 LEU 13 12.927 -0.618 6.558 107 HB3 LEU 13 HB3 LEU 13 14.440 -0.550 5.714 108 HG LEU 13 HG LEU 13 13.283 1.424 5.281 109 HD11 LEU 13 HD11 LEU 13 14.469 0.495 3.324 110 HD12 LEU 13 HD12 LEU 13 12.941 -0.209 2.742 111 HD13 LEU 13 HD13 LEU 13 13.123 1.552 2.877 112 HD21 LEU 13 HD21 LEU 13 11.111 1.728 4.420 113 HD22 LEU 13 HD22 LEU 13 10.841 -0.003 4.211 114 HD23 LEU 13 HD23 LEU 13 11.000 0.683 5.845 115 H LYS 14 H LYS 14 11.091 -2.188 6.597 116 HA LYS 14 HA LYS 14 9.079 -2.555 4.452 117 HB2 LYS 14 HB2 LYS 14 9.423 -4.326 6.909 118 HB3 LYS 14 HB3 LYS 14 8.021 -4.339 5.839 119 HG2 LYS 14 HG2 LYS 14 9.669 -4.806 3.900 120 HG3 LYS 14 HG3 LYS 14 10.873 -5.137 5.165 121 HD2 LYS 14 HD2 LYS 14 9.144 -6.698 6.193 122 HD3 LYS 14 HD3 LYS 14 8.199 -6.520 4.693 123 HE2 LYS 14 HE2 LYS 14 10.315 -7.271 3.449 124 HE3 LYS 14 HE3 LYS 14 11.011 -7.643 5.039 125 HZ1 LYS 14 HZ1 LYS 14 10.035 -9.605 4.225 126 HZ2 LYS 14 HZ2 LYS 14 8.949 -9.054 5.353 127 HZ3 LYS 14 HZ3 LYS 14 8.668 -8.835 3.739 128 H GLY 15 H GLY 15 6.776 -2.462 5.410 129 HA2 GLY 15 HA2 GLY 15 6.503 -0.783 7.792 130 HA3 GLY 15 HA3 GLY 15 6.074 -0.025 6.259 131 H GLU 16 H GLU 16 4.141 -0.518 8.293 132 HA GLU 16 HA GLU 16 2.219 -2.114 6.768 133 HB2 GLU 16 HB2 GLU 16 3.238 -3.820 8.246 134 HB3 GLU 16 HB3 GLU 16 2.869 -2.819 9.663 135 HG2 GLU 16 HG2 GLU 16 0.447 -2.948 9.087 136 HG3 GLU 16 HG3 GLU 16 0.818 -3.928 7.687 137 H THR 17 H THR 17 0.517 -0.586 6.620 138 HA THR 17 HA THR 17 -0.299 0.921 9.041 139 HB THR 17 HB THR 17 -0.452 2.950 7.447 140 HG1 THR 17 HG1 THR 17 1.368 2.784 5.889 141 HG21 THR 17 HG21 THR 17 2.340 2.006 8.209 142 HG22 THR 17 HG22 THR 17 1.838 3.661 7.841 143 HG23 THR 17 HG23 THR 17 1.202 2.841 9.277 144 H THR 18 H THR 18 -2.439 2.157 8.519 145 HA THR 18 HA THR 18 -4.076 0.678 6.493 146 HB THR 18 HB THR 18 -5.846 0.612 8.341 147 HG1 THR 18 HG1 THR 18 -4.661 2.083 9.794 148 HG21 THR 18 HG21 THR 18 -3.392 -1.000 9.123 149 HG22 THR 18 HG22 THR 18 -5.102 -1.449 9.281 150 HG23 THR 18 HG23 THR 18 -4.332 -1.356 7.679 151 H THR 19 H THR 19 -5.499 2.032 5.389 152 HA THR 19 HA THR 19 -6.462 4.487 6.567 153 HB THR 19 HB THR 19 -4.765 4.602 4.039 154 HG1 THR 19 HG1 THR 19 -4.099 4.765 6.591 155 HG21 THR 19 HG21 THR 19 -6.673 6.201 3.984 156 HG22 THR 19 HG22 THR 19 -6.151 6.849 5.551 157 HG23 THR 19 HG23 THR 19 -5.111 7.020 4.125 158 H GLU 20 H GLU 20 -8.596 4.892 5.679 159 HA GLU 20 HA GLU 20 -9.482 2.823 3.741 160 HB2 GLU 20 HB2 GLU 20 -11.741 3.418 4.363 161 HB3 GLU 20 HB3 GLU 20 -10.806 2.909 5.765 162 HG2 GLU 20 HG2 GLU 20 -10.585 5.239 6.508 163 HG3 GLU 20 HG3 GLU 20 -11.407 5.814 5.042 164 H ALA 21 H ALA 21 -10.539 3.423 1.812 165 HA ALA 21 HA ALA 21 -10.552 6.250 0.966 166 HB1 ALA 21 HB1 ALA 21 -8.322 5.315 0.313 167 HB2 ALA 21 HB2 ALA 21 -9.148 4.002 -0.561 168 HB3 ALA 21 HB3 ALA 21 -9.335 5.689 -1.084 169 H VAL 22 H VAL 22 -11.652 6.265 -1.369 170 HA VAL 22 HA VAL 22 -14.073 4.658 -1.122 171 HB VAL 22 HB VAL 22 -14.164 7.020 -1.747 172 HG11 VAL 22 HG11 VAL 22 -13.503 7.801 -3.997 173 HG12 VAL 22 HG12 VAL 22 -12.094 7.263 -3.078 174 HG13 VAL 22 HG13 VAL 22 -12.782 6.227 -4.351 175 HG21 VAL 22 HG21 VAL 22 -15.178 5.322 -4.044 176 HG22 VAL 22 HG22 VAL 22 -15.975 5.492 -2.464 177 HG23 VAL 22 HG23 VAL 22 -15.780 6.906 -3.513 178 H ASP 23 H ASP 23 -11.028 4.386 -2.943 179 HA ASP 23 HA ASP 23 -11.931 1.804 -3.949 180 HB2 ASP 23 HB2 ASP 23 -12.619 3.843 -5.517 181 HB3 ASP 23 HB3 ASP 23 -10.915 3.858 -5.951 182 H ALA 24 H ALA 24 -10.093 0.780 -5.175 183 HA ALA 24 HA ALA 24 -7.684 0.837 -3.691 184 HB1 ALA 24 HB1 ALA 24 -8.483 -1.123 -5.025 185 HB2 ALA 24 HB2 ALA 24 -8.137 -0.218 -6.515 186 HB3 ALA 24 HB3 ALA 24 -6.819 -0.672 -5.433 187 H ALA 25 H ALA 25 -8.539 2.322 -6.815 188 HA ALA 25 HA ALA 25 -6.030 3.285 -7.596 189 HB1 ALA 25 HB1 ALA 25 -7.290 4.985 -8.879 190 HB2 ALA 25 HB2 ALA 25 -8.033 3.382 -9.033 191 HB3 ALA 25 HB3 ALA 25 -8.758 4.603 -7.961 192 H THR 26 H THR 26 -8.425 4.837 -5.377 193 HA THR 26 HA THR 26 -6.886 7.218 -4.975 194 HB THR 26 HB THR 26 -9.041 5.876 -3.281 195 HG1 THR 26 HG1 THR 26 -9.994 7.957 -4.488 196 HG21 THR 26 HG21 THR 26 -7.803 7.552 -1.945 197 HG22 THR 26 HG22 THR 26 -8.024 8.756 -3.226 198 HG23 THR 26 HG23 THR 26 -9.426 8.127 -2.322 199 H ALA 27 H ALA 27 -7.240 4.149 -3.084 200 HA ALA 27 HA ALA 27 -5.586 4.833 -0.934 201 HB1 ALA 27 HB1 ALA 27 -5.942 2.096 -2.236 202 HB2 ALA 27 HB2 ALA 27 -5.313 2.407 -0.607 203 HB3 ALA 27 HB3 ALA 27 -6.994 2.824 -1.002 204 H GLU 28 H GLU 28 -4.660 3.195 -3.977 205 HA GLU 28 HA GLU 28 -1.919 2.893 -3.603 206 HB2 GLU 28 HB2 GLU 28 -3.273 1.959 -5.466 207 HB3 GLU 28 HB3 GLU 28 -3.511 3.568 -6.109 208 HG2 GLU 28 HG2 GLU 28 -0.907 3.664 -6.315 209 HG3 GLU 28 HG3 GLU 28 -0.979 1.908 -6.104 210 H LYS 29 H LYS 29 -3.575 5.668 -5.196 211 HA LYS 29 HA LYS 29 -1.133 7.079 -5.573 212 HB2 LYS 29 HB2 LYS 29 -4.006 8.087 -5.559 213 HB3 LYS 29 HB3 LYS 29 -2.594 9.061 -5.992 214 HG2 LYS 29 HG2 LYS 29 -2.019 7.155 -7.688 215 HG3 LYS 29 HG3 LYS 29 -3.653 6.589 -7.407 216 HD2 LYS 29 HD2 LYS 29 -3.787 7.946 -9.334 217 HD3 LYS 29 HD3 LYS 29 -4.446 8.956 -8.024 218 HE2 LYS 29 HE2 LYS 29 -2.098 9.939 -7.750 219 HE3 LYS 29 HE3 LYS 29 -1.608 9.006 -9.166 220 HZ1 LYS 29 HZ1 LYS 29 -3.287 10.233 -10.430 221 HZ2 LYS 29 HZ2 LYS 29 -3.658 11.121 -9.089 222 HZ3 LYS 29 HZ3 LYS 29 -2.157 11.231 -9.747 223 H VAL 30 H VAL 30 -3.565 7.404 -2.939 224 HA VAL 30 HA VAL 30 -2.253 9.614 -1.703 225 HB VAL 30 HB VAL 30 -4.227 7.554 -0.666 226 HG11 VAL 30 HG11 VAL 30 -4.662 9.203 1.184 227 HG12 VAL 30 HG12 VAL 30 -3.082 8.426 1.287 228 HG13 VAL 30 HG13 VAL 30 -3.206 10.090 0.682 229 HG21 VAL 30 HG21 VAL 30 -5.850 9.394 -0.908 230 HG22 VAL 30 HG22 VAL 30 -4.567 10.487 -1.466 231 HG23 VAL 30 HG23 VAL 30 -5.061 9.111 -2.460 232 H PHE 31 H PHE 31 -2.098 6.061 -0.896 233 HA PHE 31 HA PHE 31 -0.171 6.403 1.136 234 HB2 PHE 31 HB2 PHE 31 -1.043 4.072 -0.574 235 HB3 PHE 31 HB3 PHE 31 0.374 3.913 0.427 236 HD1 PHE 31 HD2 PHE 31 0.094 4.868 2.942 237 HD2 PHE 31 HD1 PHE 31 -3.004 3.204 0.446 238 HE1 PHE 31 HE2 PHE 31 -1.043 3.988 4.950 239 HE2 PHE 31 HE1 PHE 31 -4.113 2.262 2.474 240 HZ PHE 31 HZ PHE 31 -3.094 2.629 4.713 241 H LYS 32 H LYS 32 0.343 6.808 -2.255 242 HA LYS 32 HA LYS 32 3.003 5.860 -2.469 243 HB2 LYS 32 HB2 LYS 32 1.307 6.794 -4.241 244 HB3 LYS 32 HB3 LYS 32 2.085 8.350 -3.918 245 HG2 LYS 32 HG2 LYS 32 4.255 7.471 -4.619 246 HG3 LYS 32 HG3 LYS 32 3.630 5.806 -4.586 247 HD2 LYS 32 HD2 LYS 32 1.960 6.474 -6.361 248 HD3 LYS 32 HD3 LYS 32 2.860 7.988 -6.550 249 HE2 LYS 32 HE2 LYS 32 4.794 6.861 -7.341 250 HE3 LYS 32 HE3 LYS 32 4.252 5.297 -6.707 251 HZ1 LYS 32 HZ1 LYS 32 2.730 6.679 -8.801 252 HZ2 LYS 32 HZ2 LYS 32 3.992 5.684 -9.153 253 HZ3 LYS 32 HZ3 LYS 32 2.689 5.074 -8.365 254 H GLN 33 H GLN 33 1.690 8.749 -0.954 255 HA GLN 33 HA GLN 33 4.008 10.359 -0.727 256 HB2 GLN 33 HB2 GLN 33 1.662 9.870 1.182 257 HB3 GLN 33 HB3 GLN 33 2.867 11.133 1.423 258 HG2 GLN 33 HG2 GLN 33 2.165 12.304 -0.550 259 HG3 GLN 33 HG3 GLN 33 1.124 10.963 -1.058 260 HE21 GLN 33 HE22 GLN 33 -0.949 11.798 -0.898 261 HE22 GLN 33 HE21 GLN 33 -1.601 12.555 0.569 262 H TYR 34 H TYR 34 2.641 8.052 1.616 263 HA TYR 34 HA TYR 34 4.736 7.909 3.440 264 HB2 TYR 34 HB2 TYR 34 2.642 7.169 4.134 265 HB3 TYR 34 HB3 TYR 34 2.351 6.253 2.686 266 HD1 TYR 34 HD2 TYR 34 4.753 6.188 5.636 267 HD2 TYR 34 HD1 TYR 34 2.353 3.980 2.797 268 HE1 TYR 34 HE2 TYR 34 5.179 4.109 6.897 269 HE2 TYR 34 HE1 TYR 34 2.768 1.929 4.025 270 HH TYR 34 HH TYR 34 4.554 1.823 7.158 271 H ALA 35 H ALA 35 4.166 5.854 0.526 272 HA ALA 35 HA ALA 35 6.280 4.019 1.114 273 HB1 ALA 35 HB1 ALA 35 6.174 3.446 -1.288 274 HB2 ALA 35 HB2 ALA 35 4.564 3.532 -0.550 275 HB3 ALA 35 HB3 ALA 35 5.148 4.869 -1.582 276 H ASN 36 H ASN 36 6.234 6.884 -1.059 277 HA ASN 36 HA ASN 36 8.990 6.922 -1.714 278 HB2 ASN 36 HB2 ASN 36 7.619 8.350 -3.007 279 HB3 ASN 36 HB3 ASN 36 6.793 9.014 -1.591 280 HD21 ASN 36 HD22 ASN 36 7.596 10.873 -0.565 281 HD22 ASN 36 HD21 ASN 36 9.138 11.585 -0.927 282 H ASP 37 H ASP 37 7.213 8.474 0.960 283 HA ASP 37 HA ASP 37 9.372 9.860 2.085 284 HB2 ASP 37 HB2 ASP 37 7.001 10.305 2.581 285 HB3 ASP 37 HB3 ASP 37 6.888 8.758 3.455 286 H ASN 38 H ASN 38 8.298 6.506 2.571 287 HA ASN 38 HA ASN 38 10.249 6.124 4.725 288 HB2 ASN 38 HB2 ASN 38 7.907 5.135 4.692 289 HB3 ASN 38 HB3 ASN 38 8.503 4.014 3.453 290 HD21 ASN 38 HD22 ASN 38 7.923 2.338 5.109 291 HD22 ASN 38 HD21 ASN 38 9.075 1.981 6.374 292 H GLY 39 H GLY 39 10.456 6.150 1.351 293 HA2 GLY 39 HA2 GLY 39 12.323 5.766 0.085 294 HA3 GLY 39 HA3 GLY 39 13.101 4.924 1.417 295 H VAL 40 H VAL 40 9.893 3.994 0.101 296 HA VAL 40 HA VAL 40 11.162 1.606 -1.147 297 HB VAL 40 HB VAL 40 8.670 1.600 0.594 298 HG11 VAL 40 HG11 VAL 40 10.108 -0.700 -0.805 299 HG12 VAL 40 HG12 VAL 40 8.884 -0.921 0.446 300 HG13 VAL 40 HG13 VAL 40 8.435 -0.160 -1.076 301 HG21 VAL 40 HG21 VAL 40 10.013 0.151 2.123 302 HG22 VAL 40 HG22 VAL 40 11.445 0.487 1.129 303 HG23 VAL 40 HG23 VAL 40 10.645 1.799 2.021 304 H ASP 41 H ASP 41 9.853 0.634 -2.745 305 HA ASP 41 HA ASP 41 7.542 1.754 -3.880 306 HB2 ASP 41 HB2 ASP 41 9.488 3.296 -4.775 307 HB3 ASP 41 HB3 ASP 41 9.924 1.894 -5.751 308 H GLY 42 H GLY 42 7.143 0.318 -6.014 309 HA2 GLY 42 HA2 GLY 42 8.549 -1.988 -6.623 310 HA3 GLY 42 HA3 GLY 42 7.577 -2.419 -5.192 311 H GLU 43 H GLU 43 6.232 -3.816 -6.497 312 HA GLU 43 HA GLU 43 4.507 -2.503 -8.519 313 HB2 GLU 43 HB2 GLU 43 5.799 -4.518 -9.179 314 HB3 GLU 43 HB3 GLU 43 4.910 -5.469 -7.980 315 HG2 GLU 43 HG2 GLU 43 2.799 -5.015 -9.098 316 HG3 GLU 43 HG3 GLU 43 3.525 -3.748 -10.101 317 H TRP 44 H TRP 44 2.846 -1.641 -7.564 318 HA TRP 44 HA TRP 44 1.791 -2.421 -4.977 319 HB2 TRP 44 HB2 TRP 44 0.978 -0.346 -7.071 320 HB3 TRP 44 HB3 TRP 44 0.285 -0.488 -5.467 321 HD1 TRP 44 HD1 TRP 44 3.902 0.038 -6.859 322 HE1 TRP 44 HE1 TRP 44 5.074 1.814 -5.474 323 HE3 TRP 44 HE3 TRP 44 0.098 1.075 -3.654 324 HZ2 TRP 44 HZ2 TRP 44 4.429 3.458 -3.206 325 HZ3 TRP 44 HZ3 TRP 44 0.377 2.750 -1.860 326 HH2 TRP 44 HH2 TRP 44 2.555 3.913 -1.572 327 H THR 45 H THR 45 0.623 -4.389 -5.035 328 HA THR 45 HA THR 45 -1.683 -4.435 -6.931 329 HB THR 45 HB THR 45 -0.224 -6.928 -6.014 330 HG1 THR 45 HG1 THR 45 1.202 -5.927 -7.313 331 HG21 THR 45 HG21 THR 45 -2.228 -6.332 -8.243 332 HG22 THR 45 HG22 THR 45 -1.463 -7.892 -7.969 333 HG23 THR 45 HG23 THR 45 -2.574 -7.249 -6.758 334 H TYR 46 H TYR 46 -3.664 -4.983 -6.073 335 HA TYR 46 HA TYR 46 -3.786 -5.252 -3.137 336 HB2 TYR 46 HB2 TYR 46 -5.908 -4.183 -3.182 337 HB3 TYR 46 HB3 TYR 46 -4.721 -3.177 -3.971 338 HD1 TYR 46 HD2 TYR 46 -7.692 -5.298 -4.484 339 HD2 TYR 46 HD1 TYR 46 -4.843 -2.641 -6.357 340 HE1 TYR 46 HE2 TYR 46 -9.129 -5.158 -6.465 341 HE2 TYR 46 HE1 TYR 46 -6.303 -2.483 -8.352 342 HH TYR 46 HH TYR 46 -9.082 -4.572 -8.783 343 H ASP 47 H ASP 47 -5.294 -6.526 -2.196 344 HA ASP 47 HA ASP 47 -6.421 -8.809 -3.737 345 HB2 ASP 47 HB2 ASP 47 -4.440 -9.631 -2.734 346 HB3 ASP 47 HB3 ASP 47 -4.691 -8.727 -1.248 347 H ASP 48 H ASP 48 -8.532 -8.160 -3.650 348 HA ASP 48 HA ASP 48 -9.615 -6.552 -1.519 349 HB2 ASP 48 HB2 ASP 48 -11.280 -6.176 -2.902 350 HB3 ASP 48 HB3 ASP 48 -10.448 -7.141 -4.102 351 H ALA 49 H ALA 49 -9.603 -10.085 -2.115 352 HA ALA 49 HA ALA 49 -11.557 -10.765 -0.164 353 HB1 ALA 49 HB1 ALA 49 -10.356 -12.962 0.016 354 HB2 ALA 49 HB2 ALA 49 -10.767 -12.510 -1.635 355 HB3 ALA 49 HB3 ALA 49 -9.095 -12.331 -1.058 356 H THR 50 H THR 50 -7.958 -10.670 0.194 357 HA THR 50 HA THR 50 -8.196 -10.853 3.093 358 HB THR 50 HB THR 50 -5.796 -10.170 1.397 359 HG1 THR 50 HG1 THR 50 -6.036 -12.047 0.676 360 HG21 THR 50 HG21 THR 50 -5.325 -9.796 3.758 361 HG22 THR 50 HG22 THR 50 -6.040 -11.352 4.195 362 HG23 THR 50 HG23 THR 50 -4.535 -11.291 3.246 363 H LYS 51 H LYS 51 -8.270 -8.200 0.813 364 HA LYS 51 HA LYS 51 -8.495 -6.005 0.981 365 HB2 LYS 51 HB2 LYS 51 -8.981 -6.304 3.963 366 HB3 LYS 51 HB3 LYS 51 -9.300 -4.890 2.964 367 HG2 LYS 51 HG2 LYS 51 -11.007 -6.146 1.698 368 HG3 LYS 51 HG3 LYS 51 -10.680 -7.600 2.691 369 HD2 LYS 51 HD2 LYS 51 -11.237 -6.272 4.736 370 HD3 LYS 51 HD3 LYS 51 -11.631 -4.899 3.679 371 HE2 LYS 51 HE2 LYS 51 -13.377 -6.296 2.573 372 HE3 LYS 51 HE3 LYS 51 -13.021 -7.613 3.711 373 HZ1 LYS 51 HZ1 LYS 51 -14.890 -6.199 4.437 374 HZ2 LYS 51 HZ2 LYS 51 -13.648 -6.157 5.510 375 HZ3 LYS 51 HZ3 LYS 51 -13.855 -4.893 4.515 376 H THR 52 H THR 52 -6.027 -6.972 0.720 377 HA THR 52 HA THR 52 -4.298 -5.223 2.396 378 HB THR 52 HB THR 52 -2.561 -7.083 1.698 379 HG1 THR 52 HG1 THR 52 -3.477 -9.102 1.390 380 HG21 THR 52 HG21 THR 52 -4.702 -7.520 3.834 381 HG22 THR 52 HG22 THR 52 -3.170 -8.412 3.736 382 HG23 THR 52 HG23 THR 52 -3.157 -6.667 4.022 383 H PHE 53 H PHE 53 -2.504 -4.297 1.278 384 HA PHE 53 HA PHE 53 -2.557 -4.339 -1.664 385 HB2 PHE 53 HB2 PHE 53 -3.971 -2.438 -0.359 386 HB3 PHE 53 HB3 PHE 53 -2.411 -1.682 -0.235 387 HD1 PHE 53 HD2 PHE 53 -1.473 -2.737 -3.150 388 HD2 PHE 53 HD1 PHE 53 -4.983 -0.727 -1.610 389 HE1 PHE 53 HE2 PHE 53 -1.892 -1.729 -5.366 390 HE2 PHE 53 HE1 PHE 53 -5.359 0.275 -3.818 391 HZ PHE 53 HZ PHE 53 -3.831 -0.230 -5.718 392 H THR 54 H THR 54 -0.567 -5.342 -1.762 393 HA THR 54 HA THR 54 1.543 -4.429 0.087 394 HB THR 54 HB THR 54 1.451 -6.967 -1.539 395 HG1 THR 54 HG1 THR 54 0.775 -7.907 0.403 396 HG21 THR 54 HG21 THR 54 3.086 -7.772 0.103 397 HG22 THR 54 HG22 THR 54 3.697 -6.304 -0.661 398 HG23 THR 54 HG23 THR 54 3.023 -6.229 0.975 399 H VAL 55 H VAL 55 3.440 -3.670 -0.559 400 HA VAL 55 HA VAL 55 3.856 -3.083 -3.453 401 HB VAL 55 HB VAL 55 4.965 -1.582 -1.027 402 HG11 VAL 55 HG11 VAL 55 6.394 -1.435 -3.022 403 HG12 VAL 55 HG12 VAL 55 4.997 -0.955 -4.010 404 HG13 VAL 55 HG13 VAL 55 5.598 0.116 -2.724 405 HG21 VAL 55 HG21 VAL 55 2.634 -0.907 -2.826 406 HG22 VAL 55 HG22 VAL 55 2.613 -1.161 -1.056 407 HG23 VAL 55 HG23 VAL 55 3.422 0.257 -1.728 408 H THR 56 H THR 56 5.013 -4.894 -4.036 409 HA THR 56 HA THR 56 7.366 -5.662 -2.383 410 HB THR 56 HB THR 56 5.449 -7.327 -4.050 411 HG1 THR 56 HG1 THR 56 4.756 -7.939 -2.181 412 HG21 THR 56 HG21 THR 56 8.105 -8.183 -2.819 413 HG22 THR 56 HG22 THR 56 6.841 -9.305 -3.376 414 HG23 THR 56 HG23 THR 56 7.651 -8.245 -4.531 415 H GLU 57 H GLU 57 9.316 -5.990 -3.554 416 HA GLU 57 HA GLU 57 9.322 -5.027 -6.363 417 HB2 GLU 57 HB2 GLU 57 10.271 -3.391 -4.719 418 HB3 GLU 57 HB3 GLU 57 11.433 -4.600 -4.185 419 HG2 GLU 57 HG2 GLU 57 11.421 -4.200 -7.141 420 HG3 GLU 57 HG3 GLU 57 11.707 -2.721 -6.250 Start of MODEL 16 1 H1 MET 1 H MET 1 -16.416 4.265 5.439 2 HA MET 1 HA MET 1 -16.270 2.617 3.665 3 HB2 MET 1 HB2 MET 1 -14.108 4.739 3.764 4 HB3 MET 1 HB3 MET 1 -14.254 3.633 2.389 5 HG2 MET 1 HG2 MET 1 -16.633 4.236 2.127 6 HG3 MET 1 HG3 MET 1 -16.456 5.450 3.404 7 HE1 MET 1 HE1 MET 1 -17.671 6.911 1.480 8 HE2 MET 1 HE2 MET 1 -16.916 7.312 -0.075 9 HE3 MET 1 HE3 MET 1 -17.462 5.659 0.236 10 H GLY 2 H GLY 2 -14.622 1.362 2.312 11 HA2 GLY 2 HA2 GLY 2 -13.648 -0.787 3.861 12 HA3 GLY 2 HA3 GLY 2 -13.374 -0.488 2.140 13 H THR 3 H THR 3 -11.516 -1.595 4.073 14 HA THR 3 HA THR 3 -9.330 0.422 3.930 15 HB THR 3 HB THR 3 -9.878 -1.432 6.286 16 HG1 THR 3 HG1 THR 3 -11.449 0.285 6.031 17 HG21 THR 3 HG21 THR 3 -8.023 0.976 6.018 18 HG22 THR 3 HG22 THR 3 -8.261 -0.013 7.476 19 HG23 THR 3 HG23 THR 3 -7.504 -0.725 6.041 20 H TYR 4 H TYR 4 -7.759 -0.436 2.642 21 HA TYR 4 HA TYR 4 -7.460 -3.393 2.483 22 HB2 TYR 4 HB2 TYR 4 -6.108 -1.260 0.802 23 HB3 TYR 4 HB3 TYR 4 -6.092 -2.986 0.533 24 HD1 TYR 4 HD2 TYR 4 -8.093 0.124 0.352 25 HD2 TYR 4 HD1 TYR 4 -7.924 -4.058 -0.728 26 HE1 TYR 4 HE2 TYR 4 -9.960 0.455 -1.215 27 HE2 TYR 4 HE1 TYR 4 -9.803 -3.716 -2.321 28 HH TYR 4 HH TYR 4 -11.438 -2.221 -3.052 29 H LYS 5 H LYS 5 -5.498 -4.228 3.278 30 HA LYS 5 HA LYS 5 -4.081 -2.523 5.196 31 HB2 LYS 5 HB2 LYS 5 -3.996 -5.490 4.547 32 HB3 LYS 5 HB3 LYS 5 -2.932 -4.721 5.728 33 HG2 LYS 5 HG2 LYS 5 -5.037 -3.728 6.814 34 HG3 LYS 5 HG3 LYS 5 -5.970 -4.823 5.782 35 HD2 LYS 5 HD2 LYS 5 -4.657 -6.743 6.798 36 HD3 LYS 5 HD3 LYS 5 -3.889 -5.565 7.878 37 HE2 LYS 5 HE2 LYS 5 -5.654 -5.790 9.270 38 HE3 LYS 5 HE3 LYS 5 -6.610 -4.918 8.068 39 HZ1 LYS 5 HZ1 LYS 5 -7.069 -7.090 7.044 40 HZ2 LYS 5 HZ2 LYS 5 -6.299 -7.844 8.261 41 HZ3 LYS 5 HZ3 LYS 5 -7.692 -6.971 8.554 42 H LEU 6 H LEU 6 -2.589 -1.227 4.529 43 HA LEU 6 HA LEU 6 -1.017 -1.596 2.111 44 HB2 LEU 6 HB2 LEU 6 -2.169 0.549 3.038 45 HB3 LEU 6 HB3 LEU 6 -0.869 0.624 4.197 46 HG LEU 6 HG LEU 6 -0.298 2.115 2.506 47 HD11 LEU 6 HD11 LEU 6 1.621 0.666 3.052 48 HD12 LEU 6 HD12 LEU 6 1.254 -0.343 1.637 49 HD13 LEU 6 HD13 LEU 6 1.699 1.357 1.425 50 HD21 LEU 6 HD21 LEU 6 -1.919 1.427 0.829 51 HD22 LEU 6 HD22 LEU 6 -0.336 1.673 0.102 52 HD23 LEU 6 HD23 LEU 6 -0.939 0.024 0.395 53 H ILE 7 H ILE 7 0.570 -3.175 2.398 54 HA ILE 7 HA ILE 7 2.423 -2.936 4.733 55 HB ILE 7 HB ILE 7 1.612 -5.366 3.078 56 HG12 ILE 7 HG12 ILE 7 1.400 -6.372 5.427 57 HG13 ILE 7 HG13 ILE 7 1.566 -4.750 6.069 58 HG21 ILE 7 HG21 ILE 7 3.957 -5.123 5.028 59 HG22 ILE 7 HG22 ILE 7 3.329 -6.646 4.363 60 HG23 ILE 7 HG23 ILE 7 4.062 -5.469 3.289 61 HD11 ILE 7 HD11 ILE 7 -0.771 -5.638 5.922 62 HD12 ILE 7 HD12 ILE 7 -0.555 -4.107 5.065 63 HD13 ILE 7 HD13 ILE 7 -0.632 -5.638 4.153 64 H LEU 8 H LEU 8 4.414 -2.364 4.312 65 HA LEU 8 HA LEU 8 5.408 -1.976 1.538 66 HB2 LEU 8 HB2 LEU 8 5.839 -0.691 4.231 67 HB3 LEU 8 HB3 LEU 8 7.265 -0.894 3.237 68 HG LEU 8 HG LEU 8 6.225 0.347 1.388 69 HD11 LEU 8 HD11 LEU 8 4.157 1.643 1.780 70 HD12 LEU 8 HD12 LEU 8 3.859 -0.100 1.782 71 HD13 LEU 8 HD13 LEU 8 3.929 0.780 3.323 72 HD21 LEU 8 HD21 LEU 8 7.556 1.482 3.230 73 HD22 LEU 8 HD22 LEU 8 6.413 2.536 2.404 74 HD23 LEU 8 HD23 LEU 8 6.021 1.888 4.014 75 H ASN 9 H ASN 9 6.663 -3.688 0.797 76 HA ASN 9 HA ASN 9 8.333 -5.193 2.748 77 HB2 ASN 9 HB2 ASN 9 6.605 -6.657 2.175 78 HB3 ASN 9 HB3 ASN 9 6.540 -6.148 0.513 79 HD21 ASN 9 HD22 ASN 9 8.204 -6.897 -0.971 80 HD22 ASN 9 HD21 ASN 9 8.860 -8.501 -0.694 81 H GLY 10 H GLY 10 10.003 -3.585 2.404 82 HA2 GLY 10 HA2 GLY 10 11.114 -3.419 -0.347 83 HA3 GLY 10 HA3 GLY 10 11.336 -2.258 0.958 84 H LYS 11 H LYS 11 13.369 -3.489 -0.552 85 HA LYS 11 HA LYS 11 14.716 -5.577 0.760 86 HB2 LYS 11 HB2 LYS 11 16.594 -5.087 -0.656 87 HB3 LYS 11 HB3 LYS 11 15.110 -5.087 -1.540 88 HG2 LYS 11 HG2 LYS 11 16.660 -2.582 -0.728 89 HG3 LYS 11 HG3 LYS 11 16.721 -3.395 -2.289 90 HD2 LYS 11 HD2 LYS 11 14.092 -2.981 -2.275 91 HD3 LYS 11 HD3 LYS 11 14.508 -1.730 -1.110 92 HE2 LYS 11 HE2 LYS 11 14.418 -0.640 -3.170 93 HE3 LYS 11 HE3 LYS 11 16.151 -0.816 -2.861 94 HZ1 LYS 11 HZ1 LYS 11 14.490 -2.549 -4.614 95 HZ2 LYS 11 HZ2 LYS 11 15.497 -1.394 -5.163 96 HZ3 LYS 11 HZ3 LYS 11 16.120 -2.708 -4.418 97 H THR 12 H THR 12 14.319 -2.684 2.294 98 HA THR 12 HA THR 12 16.768 -3.211 3.891 99 HB THR 12 HB THR 12 16.106 -0.348 3.162 100 HG1 THR 12 HG1 THR 12 17.186 -0.405 1.397 101 HG21 THR 12 HG21 THR 12 18.588 -0.133 3.545 102 HG22 THR 12 HG22 THR 12 17.695 -0.644 4.985 103 HG23 THR 12 HG23 THR 12 18.623 -1.831 4.041 104 H LEU 13 H LEU 13 13.505 -1.836 3.709 105 HA LEU 13 HA LEU 13 13.242 -2.050 6.567 106 HB2 LEU 13 HB2 LEU 13 12.571 0.172 6.974 107 HB3 LEU 13 HB3 LEU 13 14.100 0.271 6.151 108 HG LEU 13 HG LEU 13 12.881 2.023 5.317 109 HD11 LEU 13 HD11 LEU 13 13.948 0.741 3.476 110 HD12 LEU 13 HD12 LEU 13 12.404 -0.060 3.165 111 HD13 LEU 13 HD13 LEU 13 12.560 1.693 2.958 112 HD21 LEU 13 HD21 LEU 13 10.620 2.087 4.618 113 HD22 LEU 13 HD22 LEU 13 10.422 0.341 4.770 114 HD23 LEU 13 HD23 LEU 13 10.687 1.349 6.209 115 H LYS 14 H LYS 14 10.916 -1.789 7.131 116 HA LYS 14 HA LYS 14 9.020 -2.270 4.930 117 HB2 LYS 14 HB2 LYS 14 9.435 -4.165 7.294 118 HB3 LYS 14 HB3 LYS 14 8.070 -4.202 6.176 119 HG2 LYS 14 HG2 LYS 14 9.822 -4.441 4.283 120 HG3 LYS 14 HG3 LYS 14 10.980 -4.816 5.573 121 HD2 LYS 14 HD2 LYS 14 9.465 -6.651 6.336 122 HD3 LYS 14 HD3 LYS 14 8.372 -6.284 4.981 123 HE2 LYS 14 HE2 LYS 14 10.350 -6.701 3.412 124 HE3 LYS 14 HE3 LYS 14 11.267 -7.236 4.828 125 HZ1 LYS 14 HZ1 LYS 14 10.343 -9.133 3.822 126 HZ2 LYS 14 HZ2 LYS 14 9.403 -8.880 5.167 127 HZ3 LYS 14 HZ3 LYS 14 8.867 -8.507 3.664 128 H GLY 15 H GLY 15 6.735 -2.233 5.822 129 HA2 GLY 15 HA2 GLY 15 6.306 -0.909 8.363 130 HA3 GLY 15 HA3 GLY 15 6.058 0.140 6.956 131 H GLU 16 H GLU 16 4.001 -0.555 8.681 132 HA GLU 16 HA GLU 16 2.074 -1.728 6.826 133 HB2 GLU 16 HB2 GLU 16 2.873 -3.778 7.841 134 HB3 GLU 16 HB3 GLU 16 2.853 -3.052 9.451 135 HG2 GLU 16 HG2 GLU 16 0.350 -2.792 9.255 136 HG3 GLU 16 HG3 GLU 16 0.423 -3.595 7.695 137 H THR 17 H THR 17 0.462 -0.210 6.973 138 HA THR 17 HA THR 17 -0.380 0.817 9.610 139 HB THR 17 HB THR 17 -0.394 3.121 8.637 140 HG1 THR 17 HG1 THR 17 0.798 3.476 6.755 141 HG21 THR 17 HG21 THR 17 2.419 1.935 8.414 142 HG22 THR 17 HG22 THR 17 1.983 3.612 8.734 143 HG23 THR 17 HG23 THR 17 1.628 2.365 9.941 144 H THR 18 H THR 18 -2.644 2.077 9.224 145 HA THR 18 HA THR 18 -4.029 0.880 6.843 146 HB THR 18 HB THR 18 -5.985 0.477 8.458 147 HG1 THR 18 HG1 THR 18 -5.283 1.497 10.309 148 HG21 THR 18 HG21 THR 18 -3.532 -1.264 8.930 149 HG22 THR 18 HG22 THR 18 -5.229 -1.721 9.153 150 HG23 THR 18 HG23 THR 18 -4.613 -1.380 7.522 151 H THR 19 H THR 19 -5.325 2.278 5.795 152 HA THR 19 HA THR 19 -6.596 4.520 7.129 153 HB THR 19 HB THR 19 -4.985 5.010 4.611 154 HG1 THR 19 HG1 THR 19 -4.166 5.436 7.319 155 HG21 THR 19 HG21 THR 19 -6.805 6.601 5.143 156 HG22 THR 19 HG22 THR 19 -6.124 6.827 6.764 157 HG23 THR 19 HG23 THR 19 -5.228 7.376 5.333 158 H GLU 20 H GLU 20 -8.620 5.025 6.053 159 HA GLU 20 HA GLU 20 -9.343 3.123 3.892 160 HB2 GLU 20 HB2 GLU 20 -11.688 3.762 4.486 161 HB3 GLU 20 HB3 GLU 20 -10.793 2.827 5.667 162 HG2 GLU 20 HG2 GLU 20 -10.414 4.889 7.020 163 HG3 GLU 20 HG3 GLU 20 -11.364 5.796 5.829 164 H ALA 21 H ALA 21 -10.648 3.889 2.170 165 HA ALA 21 HA ALA 21 -10.762 6.684 1.447 166 HB1 ALA 21 HB1 ALA 21 -8.450 6.087 0.721 167 HB2 ALA 21 HB2 ALA 21 -9.082 4.659 -0.141 168 HB3 ALA 21 HB3 ALA 21 -9.510 6.291 -0.682 169 H VAL 22 H VAL 22 -11.843 6.642 -1.015 170 HA VAL 22 HA VAL 22 -14.146 4.906 -0.707 171 HB VAL 22 HB VAL 22 -14.154 7.218 -1.719 172 HG11 VAL 22 HG11 VAL 22 -13.695 7.548 -4.066 173 HG12 VAL 22 HG12 VAL 22 -12.232 6.839 -3.359 174 HG13 VAL 22 HG13 VAL 22 -13.334 5.833 -4.312 175 HG21 VAL 22 HG21 VAL 22 -15.508 5.103 -3.419 176 HG22 VAL 22 HG22 VAL 22 -16.088 5.674 -1.847 177 HG23 VAL 22 HG23 VAL 22 -15.990 6.799 -3.211 178 H ASP 23 H ASP 23 -11.076 4.542 -2.450 179 HA ASP 23 HA ASP 23 -11.778 1.808 -3.082 180 HB2 ASP 23 HB2 ASP 23 -11.756 3.985 -5.173 181 HB3 ASP 23 HB3 ASP 23 -10.916 2.498 -5.585 182 H ALA 24 H ALA 24 -9.989 0.668 -4.022 183 HA ALA 24 HA ALA 24 -7.547 1.044 -2.705 184 HB1 ALA 24 HB1 ALA 24 -8.462 -0.627 -5.064 185 HB2 ALA 24 HB2 ALA 24 -6.749 -0.592 -4.620 186 HB3 ALA 24 HB3 ALA 24 -7.939 -1.142 -3.451 187 H ALA 25 H ALA 25 -8.542 2.143 -5.942 188 HA ALA 25 HA ALA 25 -6.014 3.001 -6.882 189 HB1 ALA 25 HB1 ALA 25 -7.320 4.362 -8.467 190 HB2 ALA 25 HB2 ALA 25 -8.038 2.744 -8.293 191 HB3 ALA 25 HB3 ALA 25 -8.782 4.132 -7.474 192 H THR 26 H THR 26 -8.447 4.702 -4.825 193 HA THR 26 HA THR 26 -7.005 7.203 -4.927 194 HB THR 26 HB THR 26 -9.175 6.096 -3.107 195 HG1 THR 26 HG1 THR 26 -10.081 8.124 -4.193 196 HG21 THR 26 HG21 THR 26 -7.802 7.629 -1.719 197 HG22 THR 26 HG22 THR 26 -7.930 8.875 -2.966 198 HG23 THR 26 HG23 THR 26 -9.373 8.315 -2.088 199 H ALA 27 H ALA 27 -7.187 4.463 -2.574 200 HA ALA 27 HA ALA 27 -5.354 5.473 -0.709 201 HB1 ALA 27 HB1 ALA 27 -5.853 2.567 -1.492 202 HB2 ALA 27 HB2 ALA 27 -5.074 3.134 -0.000 203 HB3 ALA 27 HB3 ALA 27 -6.777 3.509 -0.303 204 H GLU 28 H GLU 28 -4.691 3.467 -3.600 205 HA GLU 28 HA GLU 28 -1.934 3.081 -3.443 206 HB2 GLU 28 HB2 GLU 28 -3.471 2.047 -5.063 207 HB3 GLU 28 HB3 GLU 28 -3.802 3.607 -5.788 208 HG2 GLU 28 HG2 GLU 28 -1.347 3.702 -6.484 209 HG3 GLU 28 HG3 GLU 28 -1.245 2.004 -5.984 210 H LYS 29 H LYS 29 -3.659 5.825 -5.002 211 HA LYS 29 HA LYS 29 -1.178 7.197 -5.624 212 HB2 LYS 29 HB2 LYS 29 -4.097 8.027 -5.711 213 HB3 LYS 29 HB3 LYS 29 -2.751 9.024 -6.297 214 HG2 LYS 29 HG2 LYS 29 -2.135 7.328 -7.953 215 HG3 LYS 29 HG3 LYS 29 -3.310 6.184 -7.307 216 HD2 LYS 29 HD2 LYS 29 -4.190 7.145 -9.329 217 HD3 LYS 29 HD3 LYS 29 -5.162 7.679 -7.943 218 HE2 LYS 29 HE2 LYS 29 -3.802 9.806 -7.888 219 HE3 LYS 29 HE3 LYS 29 -2.948 9.263 -9.339 220 HZ1 LYS 29 HZ1 LYS 29 -5.095 9.320 -10.497 221 HZ2 LYS 29 HZ2 LYS 29 -5.838 9.810 -9.107 222 HZ3 LYS 29 HZ3 LYS 29 -4.725 10.773 -9.830 223 H VAL 30 H VAL 30 -3.520 7.466 -2.930 224 HA VAL 30 HA VAL 30 -2.460 9.928 -1.900 225 HB VAL 30 HB VAL 30 -4.166 7.706 -0.728 226 HG11 VAL 30 HG11 VAL 30 -4.653 9.119 1.192 227 HG12 VAL 30 HG12 VAL 30 -2.933 8.747 1.173 228 HG13 VAL 30 HG13 VAL 30 -3.502 10.346 0.643 229 HG21 VAL 30 HG21 VAL 30 -5.962 9.347 -0.872 230 HG22 VAL 30 HG22 VAL 30 -4.832 10.626 -1.350 231 HG23 VAL 30 HG23 VAL 30 -5.169 9.289 -2.451 232 H PHE 31 H PHE 31 -1.956 6.474 -0.902 233 HA PHE 31 HA PHE 31 0.058 7.085 1.000 234 HB2 PHE 31 HB2 PHE 31 -0.716 4.558 -0.500 235 HB3 PHE 31 HB3 PHE 31 0.637 4.590 0.599 236 HD1 PHE 31 HD2 PHE 31 0.121 5.714 3.016 237 HD2 PHE 31 HD1 PHE 31 -2.704 3.708 0.450 238 HE1 PHE 31 HE2 PHE 31 -1.136 4.939 4.999 239 HE2 PHE 31 HE1 PHE 31 -3.966 2.946 2.436 240 HZ PHE 31 HZ PHE 31 -3.131 3.496 4.719 241 H LYS 32 H LYS 32 0.325 7.046 -2.500 242 HA LYS 32 HA LYS 32 2.893 6.092 -2.815 243 HB2 LYS 32 HB2 LYS 32 1.419 6.757 -4.689 244 HB3 LYS 32 HB3 LYS 32 1.751 8.467 -4.345 245 HG2 LYS 32 HG2 LYS 32 4.088 8.203 -4.824 246 HG3 LYS 32 HG3 LYS 32 3.989 6.457 -4.796 247 HD2 LYS 32 HD2 LYS 32 2.628 6.481 -6.866 248 HD3 LYS 32 HD3 LYS 32 2.824 8.255 -6.946 249 HE2 LYS 32 HE2 LYS 32 5.260 8.030 -6.984 250 HE3 LYS 32 HE3 LYS 32 5.141 6.285 -6.722 251 HZ1 LYS 32 HZ1 LYS 32 4.290 7.712 -9.156 252 HZ2 LYS 32 HZ2 LYS 32 5.575 6.725 -8.990 253 HZ3 LYS 32 HZ3 LYS 32 4.057 6.101 -8.867 254 H GLN 33 H GLN 33 2.061 9.348 -1.675 255 HA GLN 33 HA GLN 33 4.706 10.400 -1.748 256 HB2 GLN 33 HB2 GLN 33 2.473 11.026 0.248 257 HB3 GLN 33 HB3 GLN 33 3.953 11.960 -0.010 258 HG2 GLN 33 HG2 GLN 33 3.207 12.219 -2.449 259 HG3 GLN 33 HG3 GLN 33 1.643 11.570 -1.948 260 HE21 GLN 33 HE22 GLN 33 0.135 13.151 -1.288 261 HE22 GLN 33 HE21 GLN 33 0.612 14.766 -0.785 262 H TYR 34 H TYR 34 2.929 8.901 0.958 263 HA TYR 34 HA TYR 34 5.015 8.754 2.832 264 HB2 TYR 34 HB2 TYR 34 2.916 8.468 3.726 265 HB3 TYR 34 HB3 TYR 34 2.342 7.462 2.416 266 HD1 TYR 34 HD2 TYR 34 4.570 7.384 5.452 267 HD2 TYR 34 HD1 TYR 34 2.369 5.084 2.521 268 HE1 TYR 34 HE2 TYR 34 4.926 5.335 6.778 269 HE2 TYR 34 HE1 TYR 34 2.749 3.035 3.838 270 HH TYR 34 HH TYR 34 3.583 2.140 5.846 271 H ALA 35 H ALA 35 3.891 6.160 0.586 272 HA ALA 35 HA ALA 35 5.705 4.223 1.432 273 HB1 ALA 35 HB1 ALA 35 5.270 3.136 -0.739 274 HB2 ALA 35 HB2 ALA 35 3.770 3.754 -0.007 275 HB3 ALA 35 HB3 ALA 35 4.531 4.633 -1.351 276 H ASN 36 H ASN 36 6.062 6.454 -1.360 277 HA ASN 36 HA ASN 36 8.705 5.601 -1.995 278 HB2 ASN 36 HB2 ASN 36 7.181 6.831 -3.543 279 HB3 ASN 36 HB3 ASN 36 7.413 8.295 -2.564 280 HD21 ASN 36 HD22 ASN 36 9.069 9.629 -3.357 281 HD22 ASN 36 HD21 ASN 36 10.486 9.025 -4.206 282 H ASP 37 H ASP 37 7.486 8.128 0.236 283 HA ASP 37 HA ASP 37 10.037 9.343 0.747 284 HB2 ASP 37 HB2 ASP 37 7.879 10.441 1.346 285 HB3 ASP 37 HB3 ASP 37 7.571 9.179 2.543 286 H ASN 38 H ASN 38 8.342 6.572 2.103 287 HA ASN 38 HA ASN 38 10.167 6.159 4.294 288 HB2 ASN 38 HB2 ASN 38 7.669 5.128 3.561 289 HB3 ASN 38 HB3 ASN 38 8.736 3.766 3.254 290 HD21 ASN 38 HD22 ASN 38 6.604 4.239 5.382 291 HD22 ASN 38 HD21 ASN 38 7.458 4.116 6.897 292 H GLY 39 H GLY 39 10.520 5.725 0.911 293 HA2 GLY 39 HA2 GLY 39 12.404 5.030 -0.210 294 HA3 GLY 39 HA3 GLY 39 13.044 4.291 1.257 295 H VAL 40 H VAL 40 9.713 3.443 0.302 296 HA VAL 40 HA VAL 40 10.759 0.825 -0.673 297 HB VAL 40 HB VAL 40 8.225 1.349 0.899 298 HG11 VAL 40 HG11 VAL 40 8.131 -1.198 0.952 299 HG12 VAL 40 HG12 VAL 40 7.859 -0.503 -0.647 300 HG13 VAL 40 HG13 VAL 40 9.430 -1.216 -0.253 301 HG21 VAL 40 HG21 VAL 40 9.363 -0.079 2.635 302 HG22 VAL 40 HG22 VAL 40 10.824 -0.047 1.630 303 HG23 VAL 40 HG23 VAL 40 10.194 1.452 2.349 304 H ASP 41 H ASP 41 10.007 0.069 -2.543 305 HA ASP 41 HA ASP 41 7.723 1.264 -3.867 306 HB2 ASP 41 HB2 ASP 41 9.643 2.804 -4.357 307 HB3 ASP 41 HB3 ASP 41 10.552 1.430 -4.994 308 H GLY 42 H GLY 42 7.394 -0.018 -6.040 309 HA2 GLY 42 HA2 GLY 42 8.634 -2.330 -6.742 310 HA3 GLY 42 HA3 GLY 42 7.602 -2.822 -5.377 311 H GLU 43 H GLU 43 6.314 -4.103 -6.825 312 HA GLU 43 HA GLU 43 4.843 -2.875 -9.026 313 HB2 GLU 43 HB2 GLU 43 5.942 -5.335 -8.599 314 HB3 GLU 43 HB3 GLU 43 4.352 -5.651 -7.943 315 HG2 GLU 43 HG2 GLU 43 3.587 -5.988 -10.032 316 HG3 GLU 43 HG3 GLU 43 3.944 -4.316 -10.456 317 H TRP 44 H TRP 44 2.835 -1.945 -8.641 318 HA TRP 44 HA TRP 44 1.625 -2.291 -5.964 319 HB2 TRP 44 HB2 TRP 44 1.393 -0.119 -8.047 320 HB3 TRP 44 HB3 TRP 44 0.394 -0.205 -6.599 321 HD1 TRP 44 HD1 TRP 44 4.068 0.247 -7.617 322 HE1 TRP 44 HE1 TRP 44 5.413 1.219 -5.714 323 HE3 TRP 44 HE3 TRP 44 0.386 0.304 -4.084 324 HZ2 TRP 44 HZ2 TRP 44 4.990 1.722 -2.840 325 HZ3 TRP 44 HZ3 TRP 44 0.873 1.016 -1.770 326 HH2 TRP 44 HH2 TRP 44 3.152 1.752 -1.142 327 H THR 45 H THR 45 0.381 -4.027 -6.013 328 HA THR 45 HA THR 45 -2.043 -4.014 -7.725 329 HB THR 45 HB THR 45 -0.453 -6.514 -7.000 330 HG1 THR 45 HG1 THR 45 0.806 -6.042 -8.569 331 HG21 THR 45 HG21 THR 45 -2.615 -5.990 -9.090 332 HG22 THR 45 HG22 THR 45 -1.719 -7.496 -8.889 333 HG23 THR 45 HG23 THR 45 -2.810 -6.948 -7.602 334 H TYR 46 H TYR 46 -3.913 -4.911 -6.627 335 HA TYR 46 HA TYR 46 -3.629 -5.242 -3.687 336 HB2 TYR 46 HB2 TYR 46 -5.643 -4.048 -3.331 337 HB3 TYR 46 HB3 TYR 46 -4.554 -3.067 -4.294 338 HD1 TYR 46 HD1 TYR 46 -5.023 -2.544 -6.657 339 HD2 TYR 46 HD2 TYR 46 -7.743 -4.926 -4.290 340 HE1 TYR 46 HE1 TYR 46 -6.712 -2.413 -8.465 341 HE2 TYR 46 HE2 TYR 46 -9.461 -4.727 -6.048 342 HH TYR 46 HH TYR 46 -9.798 -4.150 -8.304 343 H ASP 47 H ASP 47 -5.063 -6.564 -2.633 344 HA ASP 47 HA ASP 47 -6.380 -8.752 -4.177 345 HB2 ASP 47 HB2 ASP 47 -4.385 -9.585 -3.266 346 HB3 ASP 47 HB3 ASP 47 -4.570 -8.701 -1.755 347 H ASP 48 H ASP 48 -8.487 -8.091 -4.069 348 HA ASP 48 HA ASP 48 -9.550 -6.552 -1.893 349 HB2 ASP 48 HB2 ASP 48 -11.380 -6.274 -3.143 350 HB3 ASP 48 HB3 ASP 48 -10.409 -6.934 -4.454 351 H ALA 49 H ALA 49 -9.620 -10.053 -2.634 352 HA ALA 49 HA ALA 49 -11.596 -10.771 -0.741 353 HB1 ALA 49 HB1 ALA 49 -10.632 -13.054 -0.978 354 HB2 ALA 49 HB2 ALA 49 -10.912 -12.247 -2.533 355 HB3 ALA 49 HB3 ALA 49 -9.262 -12.339 -1.874 356 H THR 50 H THR 50 -7.991 -10.856 -0.411 357 HA THR 50 HA THR 50 -8.231 -11.437 2.442 358 HB THR 50 HB THR 50 -5.788 -10.554 0.913 359 HG1 THR 50 HG1 THR 50 -5.898 -12.214 -0.171 360 HG21 THR 50 HG21 THR 50 -5.373 -10.691 3.294 361 HG22 THR 50 HG22 THR 50 -6.160 -12.270 3.397 362 HG23 THR 50 HG23 THR 50 -4.619 -12.091 2.528 363 H LYS 51 H LYS 51 -8.262 -8.595 0.453 364 HA LYS 51 HA LYS 51 -8.456 -6.410 0.812 365 HB2 LYS 51 HB2 LYS 51 -8.947 -7.020 3.755 366 HB3 LYS 51 HB3 LYS 51 -9.367 -5.537 2.904 367 HG2 LYS 51 HG2 LYS 51 -11.081 -6.647 1.642 368 HG3 LYS 51 HG3 LYS 51 -10.468 -8.243 2.076 369 HD2 LYS 51 HD2 LYS 51 -11.105 -7.819 4.454 370 HD3 LYS 51 HD3 LYS 51 -11.991 -6.377 3.875 371 HE2 LYS 51 HE2 LYS 51 -13.198 -7.818 2.228 372 HE3 LYS 51 HE3 LYS 51 -12.281 -9.227 2.781 373 HZ1 LYS 51 HZ1 LYS 51 -14.424 -9.203 3.790 374 HZ2 LYS 51 HZ2 LYS 51 -13.302 -8.903 4.967 375 HZ3 LYS 51 HZ3 LYS 51 -14.220 -7.679 4.375 376 H THR 52 H THR 52 -6.022 -7.234 0.356 377 HA THR 52 HA THR 52 -4.231 -5.733 2.186 378 HB THR 52 HB THR 52 -2.579 -7.623 1.441 379 HG1 THR 52 HG1 THR 52 -3.582 -9.548 0.909 380 HG21 THR 52 HG21 THR 52 -4.832 -8.160 3.438 381 HG22 THR 52 HG22 THR 52 -3.363 -9.136 3.286 382 HG23 THR 52 HG23 THR 52 -3.234 -7.444 3.769 383 H PHE 53 H PHE 53 -2.346 -4.891 1.225 384 HA PHE 53 HA PHE 53 -2.159 -4.676 -1.698 385 HB2 PHE 53 HB2 PHE 53 -3.561 -2.791 -0.257 386 HB3 PHE 53 HB3 PHE 53 -1.959 -2.162 -0.016 387 HD1 PHE 53 HD2 PHE 53 -0.695 -2.611 -2.658 388 HD2 PHE 53 HD1 PHE 53 -4.648 -1.270 -1.652 389 HE1 PHE 53 HE2 PHE 53 -0.870 -1.522 -4.871 390 HE2 PHE 53 HE1 PHE 53 -4.772 -0.052 -3.817 391 HZ PHE 53 HZ PHE 53 -2.912 -0.222 -5.460 392 H THR 54 H THR 54 -0.069 -5.799 -1.666 393 HA THR 54 HA THR 54 1.857 -4.925 0.444 394 HB THR 54 HB THR 54 1.782 -7.518 -1.132 395 HG1 THR 54 HG1 THR 54 0.376 -7.914 0.404 396 HG21 THR 54 HG21 THR 54 3.607 -8.234 0.315 397 HG22 THR 54 HG22 THR 54 4.109 -6.755 -0.475 398 HG23 THR 54 HG23 THR 54 3.572 -6.685 1.207 399 H VAL 55 H VAL 55 3.534 -3.689 -0.221 400 HA VAL 55 HA VAL 55 3.985 -3.246 -3.079 401 HB VAL 55 HB VAL 55 5.770 -2.341 -0.748 402 HG11 VAL 55 HG11 VAL 55 6.727 -2.061 -2.988 403 HG12 VAL 55 HG12 VAL 55 5.246 -1.266 -3.561 404 HG13 VAL 55 HG13 VAL 55 6.273 -0.477 -2.343 405 HG21 VAL 55 HG21 VAL 55 3.274 -1.046 -1.822 406 HG22 VAL 55 HG22 VAL 55 3.546 -1.585 -0.162 407 HG23 VAL 55 HG23 VAL 55 4.481 -0.233 -0.775 408 H THR 56 H THR 56 4.760 -5.018 -4.061 409 HA THR 56 HA THR 56 7.028 -6.518 -2.847 410 HB THR 56 HB THR 56 5.020 -7.569 -4.863 411 HG1 THR 56 HG1 THR 56 3.959 -6.835 -2.983 412 HG21 THR 56 HG21 THR 56 6.755 -8.953 -2.768 413 HG22 THR 56 HG22 THR 56 5.701 -9.752 -3.947 414 HG23 THR 56 HG23 THR 56 7.130 -8.862 -4.504 415 H GLU 57 H GLU 57 8.854 -5.944 -3.874 416 HA GLU 57 HA GLU 57 8.812 -4.499 -6.375 417 HB2 GLU 57 HB2 GLU 57 10.425 -4.291 -4.341 418 HB3 GLU 57 HB3 GLU 57 11.208 -5.741 -5.002 419 HG2 GLU 57 HG2 GLU 57 11.514 -4.550 -7.167 420 HG3 GLU 57 HG3 GLU 57 10.772 -3.097 -6.468 Start of MODEL 17 1 H1 MET 1 H MET 1 -16.846 4.124 4.585 2 HA MET 1 HA MET 1 -16.107 2.444 3.001 3 HB2 MET 1 HB2 MET 1 -13.927 4.363 3.907 4 HB3 MET 1 HB3 MET 1 -13.835 3.398 2.436 5 HG2 MET 1 HG2 MET 1 -15.808 4.457 1.521 6 HG3 MET 1 HG3 MET 1 -16.113 5.310 3.038 7 HE1 MET 1 HE1 MET 1 -13.372 6.632 3.976 8 HE2 MET 1 HE2 MET 1 -13.604 8.187 3.158 9 HE3 MET 1 HE3 MET 1 -14.994 7.372 3.909 10 H GLY 2 H GLY 2 -14.425 0.819 2.411 11 HA2 GLY 2 HA2 GLY 2 -13.800 -0.806 4.739 12 HA3 GLY 2 HA3 GLY 2 -13.465 -1.187 3.037 13 H THR 3 H THR 3 -11.705 -1.299 5.466 14 HA THR 3 HA THR 3 -9.638 0.741 4.902 15 HB THR 3 HB THR 3 -10.037 -1.330 7.087 16 HG1 THR 3 HG1 THR 3 -9.773 1.474 7.329 17 HG21 THR 3 HG21 THR 3 -7.621 -1.140 6.792 18 HG22 THR 3 HG22 THR 3 -7.735 0.636 6.743 19 HG23 THR 3 HG23 THR 3 -8.109 -0.257 8.240 20 H TYR 4 H TYR 4 -8.026 0.332 3.564 21 HA TYR 4 HA TYR 4 -7.398 -2.459 2.742 22 HB2 TYR 4 HB2 TYR 4 -6.556 0.254 1.630 23 HB3 TYR 4 HB3 TYR 4 -6.005 -1.296 1.027 24 HD1 TYR 4 HD1 TYR 4 -7.493 -2.777 -0.279 25 HD2 TYR 4 HD2 TYR 4 -8.749 1.148 1.031 26 HE1 TYR 4 HE1 TYR 4 -9.242 -2.759 -2.019 27 HE2 TYR 4 HE2 TYR 4 -10.505 1.165 -0.721 28 HH TYR 4 HH TYR 4 -11.067 -1.664 -2.843 29 H LYS 5 H LYS 5 -5.539 -3.374 3.566 30 HA LYS 5 HA LYS 5 -3.868 -1.829 5.464 31 HB2 LYS 5 HB2 LYS 5 -3.900 -4.759 4.608 32 HB3 LYS 5 HB3 LYS 5 -2.737 -4.065 5.752 33 HG2 LYS 5 HG2 LYS 5 -4.418 -3.560 7.361 34 HG3 LYS 5 HG3 LYS 5 -5.718 -3.935 6.210 35 HD2 LYS 5 HD2 LYS 5 -4.896 -6.288 6.111 36 HD3 LYS 5 HD3 LYS 5 -3.691 -5.910 7.357 37 HE2 LYS 5 HE2 LYS 5 -5.315 -5.576 9.026 38 HE3 LYS 5 HE3 LYS 5 -6.597 -5.236 7.850 39 HZ1 LYS 5 HZ1 LYS 5 -6.617 -7.495 7.203 40 HZ2 LYS 5 HZ2 LYS 5 -5.380 -7.895 8.212 41 HZ3 LYS 5 HZ3 LYS 5 -6.860 -7.427 8.820 42 H LEU 6 H LEU 6 -2.159 -0.740 4.716 43 HA LEU 6 HA LEU 6 -1.043 -1.417 2.080 44 HB2 LEU 6 HB2 LEU 6 -1.702 0.970 2.871 45 HB3 LEU 6 HB3 LEU 6 -0.268 0.906 3.866 46 HG LEU 6 HG LEU 6 0.294 2.082 1.894 47 HD11 LEU 6 HD11 LEU 6 2.086 0.944 0.873 48 HD12 LEU 6 HD12 LEU 6 2.035 0.396 2.552 49 HD13 LEU 6 HD13 LEU 6 1.420 -0.649 1.243 50 HD21 LEU 6 HD21 LEU 6 0.012 1.112 -0.392 51 HD22 LEU 6 HD22 LEU 6 -0.939 -0.192 0.293 52 HD23 LEU 6 HD23 LEU 6 -1.511 1.490 0.414 53 H ILE 7 H ILE 7 0.666 -2.866 2.100 54 HA ILE 7 HA ILE 7 2.452 -2.879 4.506 55 HB ILE 7 HB ILE 7 1.669 -5.212 2.725 56 HG12 ILE 7 HG12 ILE 7 1.221 -6.304 4.984 57 HG13 ILE 7 HG13 ILE 7 1.379 -4.719 5.729 58 HG21 ILE 7 HG21 ILE 7 3.823 -5.084 4.892 59 HG22 ILE 7 HG22 ILE 7 3.275 -6.557 4.067 60 HG23 ILE 7 HG23 ILE 7 4.110 -5.313 3.159 61 HD11 ILE 7 HD11 ILE 7 -0.631 -3.957 4.690 62 HD12 ILE 7 HD12 ILE 7 -0.649 -5.307 3.528 63 HD13 ILE 7 HD13 ILE 7 -0.973 -5.594 5.253 64 H LEU 8 H LEU 8 4.544 -2.598 4.127 65 HA LEU 8 HA LEU 8 5.463 -1.937 1.359 66 HB2 LEU 8 HB2 LEU 8 5.649 -0.535 3.923 67 HB3 LEU 8 HB3 LEU 8 7.259 -1.052 3.433 68 HG LEU 8 HG LEU 8 6.883 0.004 1.209 69 HD11 LEU 8 HD11 LEU 8 4.442 0.058 1.127 70 HD12 LEU 8 HD12 LEU 8 4.393 1.105 2.556 71 HD13 LEU 8 HD13 LEU 8 5.070 1.705 1.026 72 HD21 LEU 8 HD21 LEU 8 8.100 1.113 3.123 73 HD22 LEU 8 HD22 LEU 8 7.336 2.266 2.033 74 HD23 LEU 8 HD23 LEU 8 6.573 1.890 3.592 75 H ASN 9 H ASN 9 6.810 -3.549 0.527 76 HA ASN 9 HA ASN 9 8.326 -5.192 2.505 77 HB2 ASN 9 HB2 ASN 9 6.281 -6.320 1.561 78 HB3 ASN 9 HB3 ASN 9 7.007 -6.206 -0.041 79 HD21 ASN 9 HD22 ASN 9 9.400 -7.130 -0.112 80 HD22 ASN 9 HD21 ASN 9 9.589 -8.668 0.692 81 H GLY 10 H GLY 10 10.091 -3.619 2.161 82 HA2 GLY 10 HA2 GLY 10 11.264 -3.649 -0.546 83 HA3 GLY 10 HA3 GLY 10 11.596 -2.497 0.743 84 H LYS 11 H LYS 11 13.546 -3.951 -0.717 85 HA LYS 11 HA LYS 11 14.642 -6.164 0.584 86 HB2 LYS 11 HB2 LYS 11 16.729 -5.701 -0.560 87 HB3 LYS 11 HB3 LYS 11 15.403 -5.518 -1.654 88 HG2 LYS 11 HG2 LYS 11 16.667 -3.083 -0.347 89 HG3 LYS 11 HG3 LYS 11 17.369 -3.869 -1.755 90 HD2 LYS 11 HD2 LYS 11 15.162 -3.581 -2.952 91 HD3 LYS 11 HD3 LYS 11 14.648 -2.576 -1.579 92 HE2 LYS 11 HE2 LYS 11 16.712 -1.141 -2.042 93 HE3 LYS 11 HE3 LYS 11 16.914 -2.084 -3.538 94 HZ1 LYS 11 HZ1 LYS 11 14.633 -0.338 -2.832 95 HZ2 LYS 11 HZ2 LYS 11 15.702 -0.163 -4.087 96 HZ3 LYS 11 HZ3 LYS 11 14.590 -1.348 -4.105 97 H THR 12 H THR 12 14.522 -3.087 2.020 98 HA THR 12 HA THR 12 16.630 -3.935 3.943 99 HB THR 12 HB THR 12 17.235 -1.387 3.970 100 HG1 THR 12 HG1 THR 12 16.994 -0.441 1.908 101 HG21 THR 12 HG21 THR 12 18.963 -1.701 2.288 102 HG22 THR 12 HG22 THR 12 18.752 -3.214 3.186 103 HG23 THR 12 HG23 THR 12 18.074 -3.050 1.552 104 H LEU 13 H LEU 13 13.499 -2.349 3.433 105 HA LEU 13 HA LEU 13 13.123 -2.379 6.300 106 HB2 LEU 13 HB2 LEU 13 12.511 -0.138 6.589 107 HB3 LEU 13 HB3 LEU 13 14.072 -0.120 5.824 108 HG LEU 13 HG LEU 13 12.871 1.653 4.938 109 HD11 LEU 13 HD11 LEU 13 14.137 0.410 3.234 110 HD12 LEU 13 HD12 LEU 13 12.642 -0.432 2.753 111 HD13 LEU 13 HD13 LEU 13 12.781 1.326 2.570 112 HD21 LEU 13 HD21 LEU 13 10.706 1.730 4.054 113 HD22 LEU 13 HD22 LEU 13 10.498 -0.022 4.091 114 HD23 LEU 13 HD23 LEU 13 10.591 0.904 5.610 115 H LYS 14 H LYS 14 10.881 -2.153 6.858 116 HA LYS 14 HA LYS 14 8.958 -2.609 4.645 117 HB2 LYS 14 HB2 LYS 14 9.229 -4.345 7.144 118 HB3 LYS 14 HB3 LYS 14 7.901 -4.420 5.977 119 HG2 LYS 14 HG2 LYS 14 9.781 -4.729 4.177 120 HG3 LYS 14 HG3 LYS 14 10.821 -5.124 5.556 121 HD2 LYS 14 HD2 LYS 14 9.213 -6.927 6.184 122 HD3 LYS 14 HD3 LYS 14 8.238 -6.533 4.745 123 HE2 LYS 14 HE2 LYS 14 10.329 -6.890 3.347 124 HE3 LYS 14 HE3 LYS 14 11.162 -7.422 4.807 125 HZ1 LYS 14 HZ1 LYS 14 8.810 -8.735 3.586 126 HZ2 LYS 14 HZ2 LYS 14 10.384 -9.224 3.532 127 HZ3 LYS 14 HZ3 LYS 14 9.598 -9.242 4.974 128 H GLY 15 H GLY 15 6.625 -2.428 5.492 129 HA2 GLY 15 HA2 GLY 15 6.332 -0.676 7.832 130 HA3 GLY 15 HA3 GLY 15 5.995 0.058 6.266 131 H GLU 16 H GLU 16 4.061 -0.311 8.310 132 HA GLU 16 HA GLU 16 2.060 -1.909 6.839 133 HB2 GLU 16 HB2 GLU 16 3.084 -3.474 8.499 134 HB3 GLU 16 HB3 GLU 16 2.722 -2.320 9.790 135 HG2 GLU 16 HG2 GLU 16 0.258 -2.519 9.124 136 HG3 GLU 16 HG3 GLU 16 0.734 -3.806 8.014 137 H THR 17 H THR 17 0.379 -0.412 6.582 138 HA THR 17 HA THR 17 -0.437 1.239 8.880 139 HB THR 17 HB THR 17 -0.599 3.222 7.291 140 HG1 THR 17 HG1 THR 17 0.711 3.228 5.520 141 HG21 THR 17 HG21 THR 17 1.668 3.987 7.616 142 HG22 THR 17 HG22 THR 17 1.171 3.074 9.049 143 HG23 THR 17 HG23 THR 17 2.263 2.338 7.856 144 H THR 18 H THR 18 -2.666 2.361 8.238 145 HA THR 18 HA THR 18 -4.169 0.712 6.279 146 HB THR 18 HB THR 18 -5.971 0.780 8.239 147 HG1 THR 18 HG1 THR 18 -4.562 1.822 9.746 148 HG21 THR 18 HG21 THR 18 -3.761 -1.294 8.241 149 HG22 THR 18 HG22 THR 18 -5.423 -1.480 8.857 150 HG23 THR 18 HG23 THR 18 -5.158 -1.246 7.133 151 H THR 19 H THR 19 -5.802 1.838 5.253 152 HA THR 19 HA THR 19 -6.856 4.276 6.357 153 HB THR 19 HB THR 19 -5.091 4.357 3.925 154 HG1 THR 19 HG1 THR 19 -4.676 4.772 6.391 155 HG21 THR 19 HG21 THR 19 -5.771 6.766 3.729 156 HG22 THR 19 HG22 THR 19 -7.084 5.651 3.322 157 HG23 THR 19 HG23 THR 19 -7.072 6.455 4.900 158 H GLU 20 H GLU 20 -8.978 4.673 5.560 159 HA GLU 20 HA GLU 20 -9.976 2.491 3.861 160 HB2 GLU 20 HB2 GLU 20 -12.187 2.986 4.698 161 HB3 GLU 20 HB3 GLU 20 -11.089 2.595 5.996 162 HG2 GLU 20 HG2 GLU 20 -10.943 4.978 6.622 163 HG3 GLU 20 HG3 GLU 20 -12.028 5.395 5.291 164 H ALA 21 H ALA 21 -11.197 2.804 2.022 165 HA ALA 21 HA ALA 21 -11.688 5.521 1.089 166 HB1 ALA 21 HB1 ALA 21 -9.323 5.217 0.439 167 HB2 ALA 21 HB2 ALA 21 -9.728 3.666 -0.347 168 HB3 ALA 21 HB3 ALA 21 -10.387 5.183 -0.980 169 H VAL 22 H VAL 22 -12.700 5.508 -1.044 170 HA VAL 22 HA VAL 22 -14.861 3.613 -1.151 171 HB VAL 22 HB VAL 22 -14.999 6.020 -1.773 172 HG11 VAL 22 HG11 VAL 22 -14.276 6.810 -3.985 173 HG12 VAL 22 HG12 VAL 22 -12.868 6.259 -3.063 174 HG13 VAL 22 HG13 VAL 22 -13.555 5.255 -4.355 175 HG21 VAL 22 HG21 VAL 22 -15.830 4.164 -4.039 176 HG22 VAL 22 HG22 VAL 22 -16.707 4.392 -2.511 177 HG23 VAL 22 HG23 VAL 22 -16.529 5.745 -3.634 178 H ASP 23 H ASP 23 -11.703 3.901 -2.866 179 HA ASP 23 HA ASP 23 -12.063 1.209 -3.947 180 HB2 ASP 23 HB2 ASP 23 -13.022 3.102 -5.523 181 HB3 ASP 23 HB3 ASP 23 -11.326 3.495 -5.816 182 H ALA 24 H ALA 24 -9.967 0.549 -4.973 183 HA ALA 24 HA ALA 24 -7.775 1.113 -3.239 184 HB1 ALA 24 HB1 ALA 24 -8.051 -1.028 -4.460 185 HB2 ALA 24 HB2 ALA 24 -7.729 -0.177 -5.988 186 HB3 ALA 24 HB3 ALA 24 -6.460 -0.299 -4.762 187 H ALA 25 H ALA 25 -8.783 2.620 -6.258 188 HA ALA 25 HA ALA 25 -6.457 3.846 -7.168 189 HB1 ALA 25 HB1 ALA 25 -8.031 5.646 -8.002 190 HB2 ALA 25 HB2 ALA 25 -8.527 3.994 -8.401 191 HB3 ALA 25 HB3 ALA 25 -9.336 4.878 -7.085 192 H THR 26 H THR 26 -8.591 4.949 -4.468 193 HA THR 26 HA THR 26 -7.170 7.453 -4.143 194 HB THR 26 HB THR 26 -8.897 5.933 -2.183 195 HG1 THR 26 HG1 THR 26 -9.607 7.747 -4.252 196 HG21 THR 26 HG21 THR 26 -9.452 8.145 -1.254 197 HG22 THR 26 HG22 THR 26 -7.714 7.866 -1.183 198 HG23 THR 26 HG23 THR 26 -8.376 8.928 -2.436 199 H ALA 27 H ALA 27 -7.113 4.225 -2.501 200 HA ALA 27 HA ALA 27 -5.172 4.881 -0.592 201 HB1 ALA 27 HB1 ALA 27 -6.551 2.869 -0.424 202 HB2 ALA 27 HB2 ALA 27 -5.769 2.182 -1.866 203 HB3 ALA 27 HB3 ALA 27 -4.829 2.440 -0.383 204 H GLU 28 H GLU 28 -4.735 3.513 -3.816 205 HA GLU 28 HA GLU 28 -2.007 3.006 -3.937 206 HB2 GLU 28 HB2 GLU 28 -3.674 2.421 -5.660 207 HB3 GLU 28 HB3 GLU 28 -4.050 4.107 -5.904 208 HG2 GLU 28 HG2 GLU 28 -1.486 4.246 -6.690 209 HG3 GLU 28 HG3 GLU 28 -1.744 2.528 -6.980 210 H LYS 29 H LYS 29 -3.691 6.021 -4.966 211 HA LYS 29 HA LYS 29 -1.144 7.364 -5.272 212 HB2 LYS 29 HB2 LYS 29 -3.978 8.421 -5.501 213 HB3 LYS 29 HB3 LYS 29 -2.504 9.365 -5.812 214 HG2 LYS 29 HG2 LYS 29 -1.768 7.539 -7.436 215 HG3 LYS 29 HG3 LYS 29 -3.385 6.829 -7.258 216 HD2 LYS 29 HD2 LYS 29 -4.383 8.924 -8.055 217 HD3 LYS 29 HD3 LYS 29 -2.776 9.648 -8.246 218 HE2 LYS 29 HE2 LYS 29 -2.165 7.997 -9.911 219 HE3 LYS 29 HE3 LYS 29 -3.631 7.057 -9.612 220 HZ1 LYS 29 HZ1 LYS 29 -4.928 8.855 -10.504 221 HZ2 LYS 29 HZ2 LYS 29 -3.590 9.812 -10.685 222 HZ3 LYS 29 HZ3 LYS 29 -3.781 8.422 -11.582 223 H VAL 30 H VAL 30 -3.540 7.414 -2.595 224 HA VAL 30 HA VAL 30 -2.370 9.727 -1.367 225 HB VAL 30 HB VAL 30 -4.103 7.462 -0.357 226 HG11 VAL 30 HG11 VAL 30 -4.504 8.734 1.716 227 HG12 VAL 30 HG12 VAL 30 -2.829 8.192 1.623 228 HG13 VAL 30 HG13 VAL 30 -3.233 9.883 1.260 229 HG21 VAL 30 HG21 VAL 30 -5.800 9.278 -0.250 230 HG22 VAL 30 HG22 VAL 30 -4.592 10.463 -0.763 231 HG23 VAL 30 HG23 VAL 30 -5.130 9.192 -1.878 232 H PHE 31 H PHE 31 -1.783 6.186 -0.601 233 HA PHE 31 HA PHE 31 0.358 6.963 1.156 234 HB2 PHE 31 HB2 PHE 31 -0.679 4.346 0.079 235 HB3 PHE 31 HB3 PHE 31 0.889 4.373 0.846 236 HD1 PHE 31 HD2 PHE 31 0.741 6.126 3.142 237 HD2 PHE 31 HD1 PHE 31 -2.183 3.344 1.607 238 HE1 PHE 31 HE2 PHE 31 -0.164 5.846 5.396 239 HE2 PHE 31 HE1 PHE 31 -3.067 3.034 3.910 240 HZ PHE 31 HZ PHE 31 -2.081 4.307 5.804 241 H LYS 32 H LYS 32 0.443 6.942 -2.267 242 HA LYS 32 HA LYS 32 2.918 5.819 -2.809 243 HB2 LYS 32 HB2 LYS 32 1.310 6.606 -4.490 244 HB3 LYS 32 HB3 LYS 32 1.748 8.288 -4.144 245 HG2 LYS 32 HG2 LYS 32 3.984 7.956 -4.947 246 HG3 LYS 32 HG3 LYS 32 3.797 6.191 -4.945 247 HD2 LYS 32 HD2 LYS 32 2.261 6.252 -6.799 248 HD3 LYS 32 HD3 LYS 32 2.204 8.032 -6.774 249 HE2 LYS 32 HE2 LYS 32 4.558 8.187 -7.357 250 HE3 LYS 32 HE3 LYS 32 4.778 6.445 -7.156 251 HZ1 LYS 32 HZ1 LYS 32 3.067 7.636 -9.255 252 HZ2 LYS 32 HZ2 LYS 32 4.613 7.061 -9.458 253 HZ3 LYS 32 HZ3 LYS 32 3.415 6.052 -9.040 254 H GLN 33 H GLN 33 2.355 9.091 -1.563 255 HA GLN 33 HA GLN 33 4.965 10.157 -1.648 256 HB2 GLN 33 HB2 GLN 33 2.593 10.411 0.243 257 HB3 GLN 33 HB3 GLN 33 4.090 11.211 0.648 258 HG2 GLN 33 HG2 GLN 33 3.922 12.775 -1.079 259 HG3 GLN 33 HG3 GLN 33 2.842 11.784 -2.032 260 HE21 GLN 33 HE22 GLN 33 0.642 12.228 -1.833 261 HE22 GLN 33 HE21 GLN 33 -0.128 12.992 -0.467 262 H TYR 34 H TYR 34 3.354 8.560 1.132 263 HA TYR 34 HA TYR 34 5.547 8.318 2.803 264 HB2 TYR 34 HB2 TYR 34 3.630 7.926 3.918 265 HB3 TYR 34 HB3 TYR 34 2.844 7.109 2.582 266 HD1 TYR 34 HD2 TYR 34 5.484 6.605 5.228 267 HD2 TYR 34 HD1 TYR 34 2.644 4.767 2.544 268 HE1 TYR 34 HE2 TYR 34 5.908 4.405 6.283 269 HE2 TYR 34 HE1 TYR 34 3.032 2.592 3.607 270 HH TYR 34 HH TYR 34 4.028 1.501 5.425 271 H ALA 35 H ALA 35 4.392 5.883 0.396 272 HA ALA 35 HA ALA 35 6.177 3.871 1.165 273 HB1 ALA 35 HB1 ALA 35 5.845 2.949 -1.090 274 HB2 ALA 35 HB2 ALA 35 4.310 3.568 -0.442 275 HB3 ALA 35 HB3 ALA 35 5.220 4.511 -1.651 276 H ASN 36 H ASN 36 6.718 6.261 -1.509 277 HA ASN 36 HA ASN 36 9.452 5.393 -1.749 278 HB2 ASN 36 HB2 ASN 36 8.180 6.440 -3.598 279 HB3 ASN 36 HB3 ASN 36 8.335 8.019 -2.782 280 HD21 ASN 36 HD22 ASN 36 10.087 9.183 -3.723 281 HD22 ASN 36 HD21 ASN 36 11.546 8.394 -4.306 282 H ASP 37 H ASP 37 7.906 7.901 0.220 283 HA ASP 37 HA ASP 37 10.264 9.371 0.863 284 HB2 ASP 37 HB2 ASP 37 7.995 10.233 1.267 285 HB3 ASP 37 HB3 ASP 37 7.722 8.977 2.497 286 H ASN 38 H ASN 38 8.855 6.364 2.024 287 HA ASN 38 HA ASN 38 10.655 6.134 4.319 288 HB2 ASN 38 HB2 ASN 38 8.203 5.383 4.228 289 HB3 ASN 38 HB3 ASN 38 8.763 4.033 3.228 290 HD21 ASN 38 HD22 ASN 38 7.737 2.853 5.157 291 HD22 ASN 38 HD21 ASN 38 8.761 2.578 6.557 292 H GLY 39 H GLY 39 10.819 5.445 0.954 293 HA2 GLY 39 HA2 GLY 39 12.885 4.812 -0.026 294 HA3 GLY 39 HA3 GLY 39 13.275 3.814 1.362 295 H VAL 40 H VAL 40 9.980 3.428 0.005 296 HA VAL 40 HA VAL 40 10.963 1.012 -1.415 297 HB VAL 40 HB VAL 40 8.470 1.145 0.268 298 HG11 VAL 40 HG11 VAL 40 9.851 -1.191 -1.144 299 HG12 VAL 40 HG12 VAL 40 8.445 -1.341 -0.074 300 HG13 VAL 40 HG13 VAL 40 8.297 -0.466 -1.597 301 HG21 VAL 40 HG21 VAL 40 10.367 1.132 1.791 302 HG22 VAL 40 HG22 VAL 40 9.649 -0.483 1.786 303 HG23 VAL 40 HG23 VAL 40 11.145 -0.174 0.877 304 H ASP 41 H ASP 41 10.312 0.815 -3.389 305 HA ASP 41 HA ASP 41 7.870 2.045 -4.413 306 HB2 ASP 41 HB2 ASP 41 9.616 3.725 -4.895 307 HB3 ASP 41 HB3 ASP 41 10.665 2.465 -5.574 308 H GLY 42 H GLY 42 6.922 0.389 -5.629 309 HA2 GLY 42 HA2 GLY 42 8.464 -1.626 -6.976 310 HA3 GLY 42 HA3 GLY 42 7.765 -2.212 -5.444 311 H GLU 43 H GLU 43 6.537 -3.691 -6.645 312 HA GLU 43 HA GLU 43 4.453 -2.796 -8.483 313 HB2 GLU 43 HB2 GLU 43 5.845 -4.814 -8.799 314 HB3 GLU 43 HB3 GLU 43 5.224 -5.489 -7.285 315 HG2 GLU 43 HG2 GLU 43 2.964 -5.566 -8.227 316 HG3 GLU 43 HG3 GLU 43 3.530 -4.775 -9.709 317 H TRP 44 H TRP 44 2.722 -1.771 -7.528 318 HA TRP 44 HA TRP 44 1.805 -2.412 -4.816 319 HB2 TRP 44 HB2 TRP 44 0.817 -0.463 -6.958 320 HB3 TRP 44 HB3 TRP 44 0.112 -0.653 -5.376 321 HD1 TRP 44 HD1 TRP 44 3.669 0.218 -6.632 322 HE1 TRP 44 HE1 TRP 44 4.556 2.175 -5.184 323 HE3 TRP 44 HE3 TRP 44 -0.403 0.917 -3.613 324 HZ2 TRP 44 HZ2 TRP 44 3.668 3.712 -3.006 325 HZ3 TRP 44 HZ3 TRP 44 -0.391 2.731 -1.920 326 HH2 TRP 44 HH2 TRP 44 1.678 4.042 -1.522 327 H THR 45 H THR 45 0.762 -4.462 -4.844 328 HA THR 45 HA THR 45 -1.421 -4.752 -6.883 329 HB THR 45 HB THR 45 0.162 -6.941 -5.530 330 HG1 THR 45 HG1 THR 45 1.293 -6.978 -7.343 331 HG21 THR 45 HG21 THR 45 -1.882 -6.993 -7.808 332 HG22 THR 45 HG22 THR 45 -0.916 -8.370 -7.257 333 HG23 THR 45 HG23 THR 45 -2.135 -7.662 -6.181 334 H TYR 46 H TYR 46 -3.414 -4.589 -6.170 335 HA TYR 46 HA TYR 46 -4.001 -4.749 -3.281 336 HB2 TYR 46 HB2 TYR 46 -6.125 -3.657 -3.965 337 HB3 TYR 46 HB3 TYR 46 -4.719 -2.693 -4.330 338 HD1 TYR 46 HD2 TYR 46 -7.456 -4.724 -5.789 339 HD2 TYR 46 HD1 TYR 46 -4.070 -2.182 -6.666 340 HE1 TYR 46 HE2 TYR 46 -8.143 -4.626 -8.132 341 HE2 TYR 46 HE1 TYR 46 -4.762 -2.087 -9.041 342 HH TYR 46 HH TYR 46 -7.628 -3.925 -10.232 343 H ASP 47 H ASP 47 -5.596 -6.127 -2.512 344 HA ASP 47 HA ASP 47 -6.980 -7.983 -4.336 345 HB2 ASP 47 HB2 ASP 47 -4.883 -9.146 -3.648 346 HB3 ASP 47 HB3 ASP 47 -5.325 -8.926 -1.950 347 H ASP 48 H ASP 48 -9.107 -7.443 -3.769 348 HA ASP 48 HA ASP 48 -9.584 -6.257 -1.175 349 HB2 ASP 48 HB2 ASP 48 -11.529 -5.512 -1.912 350 HB3 ASP 48 HB3 ASP 48 -10.785 -5.784 -3.473 351 H ALA 49 H ALA 49 -10.015 -9.585 -2.399 352 HA ALA 49 HA ALA 49 -11.785 -10.409 -0.284 353 HB1 ALA 49 HB1 ALA 49 -11.183 -12.690 -0.956 354 HB2 ALA 49 HB2 ALA 49 -11.511 -11.695 -2.388 355 HB3 ALA 49 HB3 ALA 49 -9.834 -12.078 -1.925 356 H THR 50 H THR 50 -8.220 -10.536 -0.726 357 HA THR 50 HA THR 50 -7.742 -11.575 1.972 358 HB THR 50 HB THR 50 -5.786 -10.301 -0.004 359 HG1 THR 50 HG1 THR 50 -5.678 -12.184 -0.996 360 HG21 THR 50 HG21 THR 50 -5.415 -12.431 2.155 361 HG22 THR 50 HG22 THR 50 -4.149 -11.850 1.055 362 HG23 THR 50 HG23 THR 50 -4.829 -10.755 2.261 363 H LYS 51 H LYS 51 -8.343 -8.563 0.475 364 HA LYS 51 HA LYS 51 -8.433 -6.443 1.033 365 HB2 LYS 51 HB2 LYS 51 -10.018 -7.540 2.570 366 HB3 LYS 51 HB3 LYS 51 -8.806 -7.563 3.828 367 HG2 LYS 51 HG2 LYS 51 -8.754 -5.032 3.750 368 HG3 LYS 51 HG3 LYS 51 -9.900 -5.096 2.413 369 HD2 LYS 51 HD2 LYS 51 -11.164 -6.678 4.367 370 HD3 LYS 51 HD3 LYS 51 -10.329 -5.469 5.338 371 HE2 LYS 51 HE2 LYS 51 -12.484 -4.610 4.826 372 HE3 LYS 51 HE3 LYS 51 -11.335 -3.680 3.846 373 HZ1 LYS 51 HZ1 LYS 51 -12.941 -5.990 2.898 374 HZ2 LYS 51 HZ2 LYS 51 -13.346 -4.424 2.723 375 HZ3 LYS 51 HZ3 LYS 51 -12.004 -4.993 1.941 376 H THR 52 H THR 52 -5.983 -7.104 0.426 377 HA THR 52 HA THR 52 -4.269 -5.519 2.252 378 HB THR 52 HB THR 52 -2.457 -7.239 1.440 379 HG1 THR 52 HG1 THR 52 -3.310 -8.754 0.251 380 HG21 THR 52 HG21 THR 52 -4.570 -8.040 3.494 381 HG22 THR 52 HG22 THR 52 -2.943 -8.721 3.358 382 HG23 THR 52 HG23 THR 52 -3.151 -7.013 3.792 383 H PHE 53 H PHE 53 -2.519 -4.432 1.192 384 HA PHE 53 HA PHE 53 -2.548 -4.305 -1.727 385 HB2 PHE 53 HB2 PHE 53 -4.136 -2.558 -0.598 386 HB3 PHE 53 HB3 PHE 53 -2.673 -1.779 -0.039 387 HD1 PHE 53 HD2 PHE 53 -1.578 -2.887 -3.162 388 HD2 PHE 53 HD1 PHE 53 -4.526 -0.212 -1.473 389 HE1 PHE 53 HE2 PHE 53 -1.792 -1.732 -5.318 390 HE2 PHE 53 HE1 PHE 53 -4.608 1.016 -3.619 391 HZ PHE 53 HZ PHE 53 -3.264 0.234 -5.560 392 H THR 54 H THR 54 -0.431 -5.140 -1.853 393 HA THR 54 HA THR 54 1.539 -4.012 0.068 394 HB THR 54 HB THR 54 1.552 -6.720 -1.237 395 HG1 THR 54 HG1 THR 54 0.606 -7.441 0.500 396 HG21 THR 54 HG21 THR 54 3.237 -7.242 0.529 397 HG22 THR 54 HG22 THR 54 3.812 -6.023 -0.608 398 HG23 THR 54 HG23 THR 54 3.250 -5.527 0.993 399 H VAL 55 H VAL 55 3.396 -3.202 -0.569 400 HA VAL 55 HA VAL 55 3.854 -2.733 -3.471 401 HB VAL 55 HB VAL 55 5.218 -1.416 -1.055 402 HG11 VAL 55 HG11 VAL 55 6.482 -1.336 -3.183 403 HG12 VAL 55 HG12 VAL 55 5.069 -0.639 -4.005 404 HG13 VAL 55 HG13 VAL 55 5.905 0.273 -2.724 405 HG21 VAL 55 HG21 VAL 55 2.839 -0.425 -2.649 406 HG22 VAL 55 HG22 VAL 55 2.905 -0.774 -0.896 407 HG23 VAL 55 HG23 VAL 55 3.813 0.584 -1.559 408 H THR 56 H THR 56 4.936 -4.582 -4.165 409 HA THR 56 HA THR 56 7.078 -5.673 -2.397 410 HB THR 56 HB THR 56 5.671 -7.190 -4.603 411 HG1 THR 56 HG1 THR 56 4.012 -6.987 -3.406 412 HG21 THR 56 HG21 THR 56 7.136 -8.095 -2.076 413 HG22 THR 56 HG22 THR 56 6.419 -9.144 -3.320 414 HG23 THR 56 HG23 THR 56 7.806 -8.127 -3.728 415 H GLU 57 H GLU 57 9.133 -5.526 -3.117 416 HA GLU 57 HA GLU 57 9.764 -5.223 -5.975 417 HB2 GLU 57 HB2 GLU 57 9.592 -2.939 -4.946 418 HB3 GLU 57 HB3 GLU 57 10.635 -3.444 -3.661 419 HG2 GLU 57 HG2 GLU 57 12.233 -3.988 -5.853 420 HG3 GLU 57 HG3 GLU 57 11.242 -2.708 -6.516 Start of MODEL 18 1 H1 MET 1 H MET 1 -16.519 2.993 6.293 2 HA MET 1 HA MET 1 -16.224 1.848 4.286 3 HB2 MET 1 HB2 MET 1 -14.055 3.988 4.434 4 HB3 MET 1 HB3 MET 1 -14.629 3.239 2.960 5 HG2 MET 1 HG2 MET 1 -16.928 4.018 3.456 6 HG3 MET 1 HG3 MET 1 -16.327 4.831 4.911 7 HE1 MET 1 HE1 MET 1 -15.790 6.031 0.521 8 HE2 MET 1 HE2 MET 1 -14.863 4.651 1.141 9 HE3 MET 1 HE3 MET 1 -16.638 4.608 1.158 10 H GLY 2 H GLY 2 -14.623 0.969 2.645 11 HA2 GLY 2 HA2 GLY 2 -13.431 -1.380 3.508 12 HA3 GLY 2 HA3 GLY 2 -13.108 -0.524 1.988 13 H THR 3 H THR 3 -11.705 -1.570 4.870 14 HA THR 3 HA THR 3 -9.572 0.493 4.888 15 HB THR 3 HB THR 3 -10.334 -1.814 6.736 16 HG1 THR 3 HG1 THR 3 -11.491 0.198 6.815 17 HG21 THR 3 HG21 THR 3 -7.925 -1.746 6.852 18 HG22 THR 3 HG22 THR 3 -7.905 0.032 6.874 19 HG23 THR 3 HG23 THR 3 -8.535 -0.893 8.264 20 H TYR 4 H TYR 4 -8.071 0.211 3.395 21 HA TYR 4 HA TYR 4 -7.267 -2.495 2.503 22 HB2 TYR 4 HB2 TYR 4 -6.577 0.272 1.442 23 HB3 TYR 4 HB3 TYR 4 -5.992 -1.244 0.779 24 HD1 TYR 4 HD2 TYR 4 -8.963 0.971 1.167 25 HD2 TYR 4 HD1 TYR 4 -7.367 -2.589 -0.709 26 HE1 TYR 4 HE2 TYR 4 -10.838 0.982 -0.451 27 HE2 TYR 4 HE1 TYR 4 -9.235 -2.576 -2.320 28 HH TYR 4 HH TYR 4 -11.319 -1.654 -2.811 29 H LYS 5 H LYS 5 -5.629 -3.366 3.615 30 HA LYS 5 HA LYS 5 -3.915 -1.812 5.451 31 HB2 LYS 5 HB2 LYS 5 -3.934 -4.730 4.620 32 HB3 LYS 5 HB3 LYS 5 -2.957 -4.067 5.923 33 HG2 LYS 5 HG2 LYS 5 -4.807 -3.774 7.347 34 HG3 LYS 5 HG3 LYS 5 -5.986 -3.836 6.019 35 HD2 LYS 5 HD2 LYS 5 -5.513 -6.197 5.633 36 HD3 LYS 5 HD3 LYS 5 -4.249 -6.184 6.892 37 HE2 LYS 5 HE2 LYS 5 -5.898 -5.692 8.611 38 HE3 LYS 5 HE3 LYS 5 -7.186 -5.540 7.388 39 HZ1 LYS 5 HZ1 LYS 5 -6.960 -7.832 6.882 40 HZ2 LYS 5 HZ2 LYS 5 -5.630 -8.004 7.844 41 HZ3 LYS 5 HZ3 LYS 5 -7.131 -7.714 8.494 42 H LEU 6 H LEU 6 -2.217 -0.684 4.557 43 HA LEU 6 HA LEU 6 -1.056 -1.571 1.999 44 HB2 LEU 6 HB2 LEU 6 -1.704 0.820 2.556 45 HB3 LEU 6 HB3 LEU 6 -0.349 0.856 3.668 46 HG LEU 6 HG LEU 6 0.353 1.910 1.702 47 HD11 LEU 6 HD11 LEU 6 2.219 0.775 0.883 48 HD12 LEU 6 HD12 LEU 6 2.028 0.228 2.564 49 HD13 LEU 6 HD13 LEU 6 1.543 -0.823 1.207 50 HD21 LEU 6 HD21 LEU 6 -1.364 1.152 0.130 51 HD22 LEU 6 HD22 LEU 6 0.253 0.997 -0.564 52 HD23 LEU 6 HD23 LEU 6 -0.580 -0.441 0.025 53 H ILE 7 H ILE 7 0.659 -2.959 2.071 54 HA ILE 7 HA ILE 7 2.468 -2.936 4.451 55 HB ILE 7 HB ILE 7 1.392 -5.260 2.834 56 HG12 ILE 7 HG12 ILE 7 1.238 -6.292 5.138 57 HG13 ILE 7 HG13 ILE 7 1.718 -4.752 5.827 58 HG21 ILE 7 HG21 ILE 7 3.914 -5.268 4.561 59 HG22 ILE 7 HG22 ILE 7 3.101 -6.716 3.929 60 HG23 ILE 7 HG23 ILE 7 3.831 -5.578 2.815 61 HD11 ILE 7 HD11 ILE 7 -0.761 -5.328 5.864 62 HD12 ILE 7 HD12 ILE 7 -0.382 -3.746 5.183 63 HD13 ILE 7 HD13 ILE 7 -0.776 -5.109 4.101 64 H LEU 8 H LEU 8 4.356 -2.212 4.011 65 HA LEU 8 HA LEU 8 5.409 -1.810 1.260 66 HB2 LEU 8 HB2 LEU 8 5.642 -0.521 3.915 67 HB3 LEU 8 HB3 LEU 8 7.225 -0.952 3.286 68 HG LEU 8 HG LEU 8 6.820 0.372 1.279 69 HD11 LEU 8 HD11 LEU 8 4.886 1.947 1.212 70 HD12 LEU 8 HD12 LEU 8 4.431 0.247 1.023 71 HD13 LEU 8 HD13 LEU 8 4.187 1.064 2.586 72 HD21 LEU 8 HD21 LEU 8 7.845 1.345 3.354 73 HD22 LEU 8 HD22 LEU 8 6.983 2.559 2.405 74 HD23 LEU 8 HD23 LEU 8 6.225 1.886 3.864 75 H ASN 9 H ASN 9 6.703 -3.510 0.499 76 HA ASN 9 HA ASN 9 8.275 -5.105 2.466 77 HB2 ASN 9 HB2 ASN 9 6.256 -6.332 2.023 78 HB3 ASN 9 HB3 ASN 9 6.401 -6.052 0.289 79 HD21 ASN 9 HD22 ASN 9 6.817 -8.031 -0.628 80 HD22 ASN 9 HD21 ASN 9 8.086 -9.123 -0.083 81 H GLY 10 H GLY 10 10.116 -3.748 1.801 82 HA2 GLY 10 HA2 GLY 10 11.165 -4.463 -0.908 83 HA3 GLY 10 HA3 GLY 10 11.353 -2.874 -0.168 84 H LYS 11 H LYS 11 13.415 -4.546 -1.036 85 HA LYS 11 HA LYS 11 14.850 -6.150 0.569 86 HB2 LYS 11 HB2 LYS 11 16.771 -5.555 -0.760 87 HB3 LYS 11 HB3 LYS 11 15.358 -5.547 -1.788 88 HG2 LYS 11 HG2 LYS 11 16.043 -2.877 -0.573 89 HG3 LYS 11 HG3 LYS 11 17.268 -3.551 -1.636 90 HD2 LYS 11 HD2 LYS 11 15.731 -3.650 -3.498 91 HD3 LYS 11 HD3 LYS 11 14.365 -3.227 -2.455 92 HE2 LYS 11 HE2 LYS 11 15.190 -1.052 -2.029 93 HE3 LYS 11 HE3 LYS 11 16.771 -1.385 -2.769 94 HZ1 LYS 11 HZ1 LYS 11 15.806 -1.282 -4.893 95 HZ2 LYS 11 HZ2 LYS 11 14.282 -1.523 -4.334 96 HZ3 LYS 11 HZ3 LYS 11 15.045 -0.082 -4.097 97 H THR 12 H THR 12 14.216 -3.206 2.035 98 HA THR 12 HA THR 12 16.642 -3.576 3.689 99 HB THR 12 HB THR 12 16.073 -0.921 2.326 100 HG1 THR 12 HG1 THR 12 17.440 -3.037 1.575 101 HG21 THR 12 HG21 THR 12 18.232 -0.177 3.331 102 HG22 THR 12 HG22 THR 12 17.003 -0.475 4.561 103 HG23 THR 12 HG23 THR 12 18.296 -1.670 4.276 104 H LEU 13 H LEU 13 13.415 -1.982 3.354 105 HA LEU 13 HA LEU 13 13.133 -2.264 6.206 106 HB2 LEU 13 HB2 LEU 13 12.619 -0.032 6.737 107 HB3 LEU 13 HB3 LEU 13 14.186 -0.044 5.987 108 HG LEU 13 HG LEU 13 13.089 1.896 5.309 109 HD11 LEU 13 HD11 LEU 13 14.363 0.792 3.496 110 HD12 LEU 13 HD12 LEU 13 12.844 0.069 2.889 111 HD13 LEU 13 HD13 LEU 13 13.055 1.825 2.903 112 HD21 LEU 13 HD21 LEU 13 10.949 2.097 4.300 113 HD22 LEU 13 HD22 LEU 13 10.697 0.362 4.238 114 HD23 LEU 13 HD23 LEU 13 10.768 1.200 5.814 115 H LYS 14 H LYS 14 10.836 -1.634 6.816 116 HA LYS 14 HA LYS 14 8.884 -2.086 4.632 117 HB2 LYS 14 HB2 LYS 14 9.125 -3.727 7.188 118 HB3 LYS 14 HB3 LYS 14 7.741 -3.743 6.089 119 HG2 LYS 14 HG2 LYS 14 9.431 -4.365 4.219 120 HG3 LYS 14 HG3 LYS 14 10.552 -4.736 5.543 121 HD2 LYS 14 HD2 LYS 14 8.730 -6.182 6.550 122 HD3 LYS 14 HD3 LYS 14 7.774 -5.895 5.076 123 HE2 LYS 14 HE2 LYS 14 9.692 -6.836 3.739 124 HE3 LYS 14 HE3 LYS 14 10.518 -7.217 5.255 125 HZ1 LYS 14 HZ1 LYS 14 7.891 -8.267 4.395 126 HZ2 LYS 14 HZ2 LYS 14 9.316 -9.093 4.400 127 HZ3 LYS 14 HZ3 LYS 14 8.606 -8.610 5.834 128 H GLY 15 H GLY 15 6.603 -1.872 5.479 129 HA2 GLY 15 HA2 GLY 15 6.206 -0.115 7.779 130 HA3 GLY 15 HA3 GLY 15 5.839 0.571 6.189 131 H GLU 16 H GLU 16 3.939 -0.145 8.337 132 HA GLU 16 HA GLU 16 2.113 -1.836 6.719 133 HB2 GLU 16 HB2 GLU 16 3.258 -3.390 8.332 134 HB3 GLU 16 HB3 GLU 16 2.762 -2.343 9.666 135 HG2 GLU 16 HG2 GLU 16 0.348 -2.725 8.860 136 HG3 GLU 16 HG3 GLU 16 0.982 -3.980 7.817 137 H THR 17 H THR 17 0.407 -0.372 6.462 138 HA THR 17 HA THR 17 -0.501 1.140 8.851 139 HB THR 17 HB THR 17 -0.717 3.123 7.232 140 HG1 THR 17 HG1 THR 17 0.704 3.151 5.515 141 HG21 THR 17 HG21 THR 17 1.520 3.956 7.636 142 HG22 THR 17 HG22 THR 17 0.962 3.070 9.066 143 HG23 THR 17 HG23 THR 17 2.133 2.321 7.953 144 H THR 18 H THR 18 -2.692 2.092 8.514 145 HA THR 18 HA THR 18 -4.279 0.650 6.436 146 HB THR 18 HB THR 18 -6.049 0.641 8.413 147 HG1 THR 18 HG1 THR 18 -4.476 1.567 9.969 148 HG21 THR 18 HG21 THR 18 -3.823 -1.418 8.217 149 HG22 THR 18 HG22 THR 18 -5.428 -1.664 8.944 150 HG23 THR 18 HG23 THR 18 -5.292 -1.338 7.210 151 H THR 19 H THR 19 -5.834 1.864 5.481 152 HA THR 19 HA THR 19 -6.796 4.346 6.541 153 HB THR 19 HB THR 19 -4.964 4.313 4.126 154 HG1 THR 19 HG1 THR 19 -4.471 4.725 6.521 155 HG21 THR 19 HG21 THR 19 -5.577 6.727 3.843 156 HG22 THR 19 HG22 THR 19 -6.922 5.646 3.464 157 HG23 THR 19 HG23 THR 19 -6.895 6.514 5.014 158 H GLU 20 H GLU 20 -8.930 4.661 5.676 159 HA GLU 20 HA GLU 20 -9.784 2.485 3.885 160 HB2 GLU 20 HB2 GLU 20 -12.053 2.931 4.735 161 HB3 GLU 20 HB3 GLU 20 -10.927 2.334 5.937 162 HG2 GLU 20 HG2 GLU 20 -10.661 4.603 6.882 163 HG3 GLU 20 HG3 GLU 20 -11.764 5.240 5.653 164 H ALA 21 H ALA 21 -10.859 2.888 1.990 165 HA ALA 21 HA ALA 21 -11.389 5.672 1.210 166 HB1 ALA 21 HB1 ALA 21 -9.029 5.218 0.549 167 HB2 ALA 21 HB2 ALA 21 -9.578 3.786 -0.367 168 HB3 ALA 21 HB3 ALA 21 -10.085 5.417 -0.865 169 H VAL 22 H VAL 22 -12.392 5.649 -1.072 170 HA VAL 22 HA VAL 22 -14.559 3.694 -1.062 171 HB VAL 22 HB VAL 22 -14.821 6.181 -1.402 172 HG11 VAL 22 HG11 VAL 22 -14.493 7.185 -3.560 173 HG12 VAL 22 HG12 VAL 22 -12.941 6.539 -3.010 174 HG13 VAL 22 HG13 VAL 22 -13.881 5.675 -4.244 175 HG21 VAL 22 HG21 VAL 22 -16.011 4.444 -3.595 176 HG22 VAL 22 HG22 VAL 22 -16.604 4.545 -1.922 177 HG23 VAL 22 HG23 VAL 22 -16.656 5.973 -2.969 178 H ASP 23 H ASP 23 -11.436 4.033 -2.711 179 HA ASP 23 HA ASP 23 -12.024 1.616 -4.231 180 HB2 ASP 23 HB2 ASP 23 -12.288 4.226 -5.443 181 HB3 ASP 23 HB3 ASP 23 -10.750 3.600 -5.993 182 H ALA 24 H ALA 24 -10.037 0.836 -5.272 183 HA ALA 24 HA ALA 24 -7.834 0.873 -3.482 184 HB1 ALA 24 HB1 ALA 24 -6.704 -0.516 -5.165 185 HB2 ALA 24 HB2 ALA 24 -8.378 -1.046 -4.944 186 HB3 ALA 24 HB3 ALA 24 -7.926 -0.080 -6.373 187 H ALA 25 H ALA 25 -8.338 2.564 -6.607 188 HA ALA 25 HA ALA 25 -5.766 3.607 -6.985 189 HB1 ALA 25 HB1 ALA 25 -6.882 5.384 -8.303 190 HB2 ALA 25 HB2 ALA 25 -7.540 3.781 -8.662 191 HB3 ALA 25 HB3 ALA 25 -8.450 4.903 -7.620 192 H THR 26 H THR 26 -8.451 5.045 -5.008 193 HA THR 26 HA THR 26 -6.932 7.366 -4.328 194 HB THR 26 HB THR 26 -9.323 6.075 -2.961 195 HG1 THR 26 HG1 THR 26 -10.359 7.788 -4.250 196 HG21 THR 26 HG21 THR 26 -9.778 8.380 -2.131 197 HG22 THR 26 HG22 THR 26 -8.280 7.731 -1.457 198 HG23 THR 26 HG23 THR 26 -8.210 8.919 -2.774 199 H ALA 27 H ALA 27 -6.974 4.059 -2.995 200 HA ALA 27 HA ALA 27 -5.579 4.817 -0.579 201 HB1 ALA 27 HB1 ALA 27 -6.990 2.763 -0.778 202 HB2 ALA 27 HB2 ALA 27 -5.782 2.072 -1.878 203 HB3 ALA 27 HB3 ALA 27 -5.349 2.450 -0.206 204 H GLU 28 H GLU 28 -4.693 3.464 -3.716 205 HA GLU 28 HA GLU 28 -1.939 3.033 -3.490 206 HB2 GLU 28 HB2 GLU 28 -3.156 2.157 -5.316 207 HB3 GLU 28 HB3 GLU 28 -3.873 3.681 -5.718 208 HG2 GLU 28 HG2 GLU 28 -0.977 3.825 -6.100 209 HG3 GLU 28 HG3 GLU 28 -1.645 2.436 -6.934 210 H LYS 29 H LYS 29 -3.595 5.896 -4.819 211 HA LYS 29 HA LYS 29 -1.260 7.436 -5.264 212 HB2 LYS 29 HB2 LYS 29 -4.155 8.275 -4.854 213 HB3 LYS 29 HB3 LYS 29 -2.895 9.312 -5.543 214 HG2 LYS 29 HG2 LYS 29 -2.656 7.991 -7.479 215 HG3 LYS 29 HG3 LYS 29 -3.438 6.593 -6.777 216 HD2 LYS 29 HD2 LYS 29 -5.013 7.336 -8.235 217 HD3 LYS 29 HD3 LYS 29 -5.593 7.966 -6.683 218 HE2 LYS 29 HE2 LYS 29 -4.618 10.171 -7.196 219 HE3 LYS 29 HE3 LYS 29 -3.877 9.518 -8.670 220 HZ1 LYS 29 HZ1 LYS 29 -6.037 9.086 -9.534 221 HZ2 LYS 29 HZ2 LYS 29 -6.772 9.645 -8.160 222 HZ3 LYS 29 HZ3 LYS 29 -5.901 10.690 -9.114 223 H VAL 30 H VAL 30 -3.477 7.464 -2.432 224 HA VAL 30 HA VAL 30 -2.150 9.678 -1.203 225 HB VAL 30 HB VAL 30 -4.018 7.501 -0.217 226 HG11 VAL 30 HG11 VAL 30 -4.309 8.910 1.845 227 HG12 VAL 30 HG12 VAL 30 -2.748 8.109 1.751 228 HG13 VAL 30 HG13 VAL 30 -2.868 9.832 1.350 229 HG21 VAL 30 HG21 VAL 30 -5.638 9.370 -0.174 230 HG22 VAL 30 HG22 VAL 30 -4.366 10.519 -0.632 231 HG23 VAL 30 HG23 VAL 30 -4.908 9.282 -1.775 232 H PHE 31 H PHE 31 -1.888 6.091 -0.469 233 HA PHE 31 HA PHE 31 0.302 6.625 1.273 234 HB2 PHE 31 HB2 PHE 31 -0.853 4.116 0.080 235 HB3 PHE 31 HB3 PHE 31 0.705 4.046 0.870 236 HD1 PHE 31 HD2 PHE 31 0.443 5.895 3.224 237 HD2 PHE 31 HD1 PHE 31 -2.292 2.972 1.582 238 HE1 PHE 31 HE2 PHE 31 -0.521 5.562 5.443 239 HE2 PHE 31 HE1 PHE 31 -3.185 2.582 3.866 240 HZ PHE 31 HZ PHE 31 -2.331 3.894 5.785 241 H LYS 32 H LYS 32 0.374 6.709 -2.143 242 HA LYS 32 HA LYS 32 2.966 5.707 -2.671 243 HB2 LYS 32 HB2 LYS 32 1.203 6.519 -4.320 244 HB3 LYS 32 HB3 LYS 32 1.694 8.176 -3.912 245 HG2 LYS 32 HG2 LYS 32 3.987 7.675 -4.673 246 HG3 LYS 32 HG3 LYS 32 3.509 5.993 -5.025 247 HD2 LYS 32 HD2 LYS 32 1.851 6.808 -6.678 248 HD3 LYS 32 HD3 LYS 32 2.298 8.477 -6.286 249 HE2 LYS 32 HE2 LYS 32 4.686 7.881 -6.918 250 HE3 LYS 32 HE3 LYS 32 4.079 6.322 -7.498 251 HZ1 LYS 32 HZ1 LYS 32 3.377 8.995 -8.486 252 HZ2 LYS 32 HZ2 LYS 32 4.244 7.829 -9.286 253 HZ3 LYS 32 HZ3 LYS 32 2.629 7.609 -9.010 254 H GLN 33 H GLN 33 1.932 8.771 -1.230 255 HA GLN 33 HA GLN 33 4.364 10.201 -1.353 256 HB2 GLN 33 HB2 GLN 33 2.244 10.205 0.860 257 HB3 GLN 33 HB3 GLN 33 3.499 11.422 0.624 258 HG2 GLN 33 HG2 GLN 33 2.510 11.959 -1.620 259 HG3 GLN 33 HG3 GLN 33 1.207 10.808 -1.278 260 HE21 GLN 33 HE22 GLN 33 2.762 13.863 -0.008 261 HE22 GLN 33 HE21 GLN 33 1.285 14.419 0.728 262 H TYR 34 H TYR 34 3.078 8.162 1.268 263 HA TYR 34 HA TYR 34 5.361 8.153 2.931 264 HB2 TYR 34 HB2 TYR 34 3.647 7.540 4.192 265 HB3 TYR 34 HB3 TYR 34 2.680 7.020 2.850 266 HD1 TYR 34 HD2 TYR 34 5.223 5.852 5.347 267 HD2 TYR 34 HD1 TYR 34 2.341 4.732 2.347 268 HE1 TYR 34 HE2 TYR 34 5.112 3.575 6.307 269 HE2 TYR 34 HE1 TYR 34 2.183 2.471 3.327 270 HH TYR 34 HH TYR 34 2.584 1.347 5.495 271 H ALA 35 H ALA 35 4.371 5.869 0.313 272 HA ALA 35 HA ALA 35 6.328 3.924 0.873 273 HB1 ALA 35 HB1 ALA 35 6.057 3.230 -1.475 274 HB2 ALA 35 HB2 ALA 35 4.487 3.566 -0.718 275 HB3 ALA 35 HB3 ALA 35 5.211 4.747 -1.836 276 H ASN 36 H ASN 36 6.603 6.649 -1.505 277 HA ASN 36 HA ASN 36 9.392 6.103 -1.959 278 HB2 ASN 36 HB2 ASN 36 8.007 7.389 -3.544 279 HB3 ASN 36 HB3 ASN 36 7.928 8.743 -2.400 280 HD21 ASN 36 HD22 ASN 36 9.635 10.359 -2.773 281 HD22 ASN 36 HD21 ASN 36 11.160 9.863 -3.483 282 H ASP 37 H ASP 37 7.727 8.250 0.367 283 HA ASP 37 HA ASP 37 10.104 9.641 1.199 284 HB2 ASP 37 HB2 ASP 37 7.814 10.504 1.465 285 HB3 ASP 37 HB3 ASP 37 7.482 9.227 2.653 286 H ASN 38 H ASN 38 8.869 6.476 1.941 287 HA ASN 38 HA ASN 38 10.561 6.252 4.359 288 HB2 ASN 38 HB2 ASN 38 8.136 5.493 4.289 289 HB3 ASN 38 HB3 ASN 38 8.666 4.188 3.219 290 HD21 ASN 38 HD22 ASN 38 7.765 2.811 5.021 291 HD22 ASN 38 HD21 ASN 38 8.831 2.485 6.383 292 H GLY 39 H GLY 39 10.798 5.682 0.974 293 HA2 GLY 39 HA2 GLY 39 12.790 5.018 -0.079 294 HA3 GLY 39 HA3 GLY 39 13.339 4.216 1.392 295 H VAL 40 H VAL 40 10.112 3.648 -0.132 296 HA VAL 40 HA VAL 40 11.120 0.994 -1.012 297 HB VAL 40 HB VAL 40 8.478 1.500 0.387 298 HG11 VAL 40 HG11 VAL 40 8.378 -1.050 0.396 299 HG12 VAL 40 HG12 VAL 40 8.266 -0.345 -1.214 300 HG13 VAL 40 HG13 VAL 40 9.789 -1.061 -0.664 301 HG21 VAL 40 HG21 VAL 40 10.996 0.092 1.384 302 HG22 VAL 40 HG22 VAL 40 10.271 1.571 2.041 303 HG23 VAL 40 HG23 VAL 40 9.424 0.028 2.194 304 H ASP 41 H ASP 41 10.219 0.197 -2.835 305 HA ASP 41 HA ASP 41 8.240 1.666 -4.334 306 HB2 ASP 41 HB2 ASP 41 10.691 2.571 -4.828 307 HB3 ASP 41 HB3 ASP 41 10.885 1.054 -5.703 308 H GLY 42 H GLY 42 7.730 0.127 -6.394 309 HA2 GLY 42 HA2 GLY 42 8.691 -2.380 -6.760 310 HA3 GLY 42 HA3 GLY 42 7.708 -2.568 -5.294 311 H GLU 43 H GLU 43 6.424 -4.009 -6.474 312 HA GLU 43 HA GLU 43 4.687 -2.947 -8.594 313 HB2 GLU 43 HB2 GLU 43 5.944 -5.045 -8.959 314 HB3 GLU 43 HB3 GLU 43 5.125 -5.782 -7.561 315 HG2 GLU 43 HG2 GLU 43 2.936 -5.448 -8.665 316 HG3 GLU 43 HG3 GLU 43 3.731 -4.569 -9.983 317 H TRP 44 H TRP 44 3.017 -1.894 -7.781 318 HA TRP 44 HA TRP 44 1.816 -2.452 -5.186 319 HB2 TRP 44 HB2 TRP 44 1.076 -0.626 -7.519 320 HB3 TRP 44 HB3 TRP 44 0.234 -0.651 -5.992 321 HD1 TRP 44 HD1 TRP 44 3.895 0.036 -7.149 322 HE1 TRP 44 HE1 TRP 44 4.800 1.982 -5.797 323 HE3 TRP 44 HE3 TRP 44 -0.141 0.842 -4.078 324 HZ2 TRP 44 HZ2 TRP 44 4.022 3.510 -3.483 325 HZ3 TRP 44 HZ3 TRP 44 -0.008 2.562 -2.287 326 HH2 TRP 44 HH2 TRP 44 2.076 3.839 -1.931 327 H THR 45 H THR 45 0.452 -4.238 -4.988 328 HA THR 45 HA THR 45 -1.565 -4.637 -7.148 329 HB THR 45 HB THR 45 -0.142 -6.979 -5.863 330 HG1 THR 45 HG1 THR 45 1.365 -5.892 -7.086 331 HG21 THR 45 HG21 THR 45 -1.842 -6.744 -8.372 332 HG22 THR 45 HG22 THR 45 -1.087 -8.222 -7.751 333 HG23 THR 45 HG23 THR 45 -2.379 -7.437 -6.824 334 H TYR 46 H TYR 46 -3.568 -4.573 -6.278 335 HA TYR 46 HA TYR 46 -3.840 -4.750 -3.340 336 HB2 TYR 46 HB2 TYR 46 -5.901 -3.598 -3.562 337 HB3 TYR 46 HB3 TYR 46 -4.683 -2.702 -4.439 338 HD1 TYR 46 HD2 TYR 46 -7.682 -4.859 -4.746 339 HD2 TYR 46 HD1 TYR 46 -4.823 -2.410 -6.884 340 HE1 TYR 46 HE2 TYR 46 -9.018 -5.087 -6.796 341 HE2 TYR 46 HE1 TYR 46 -6.160 -2.655 -8.946 342 HH TYR 46 HH TYR 46 -8.744 -5.041 -9.118 343 H ASP 47 H ASP 47 -5.423 -6.092 -2.418 344 HA ASP 47 HA ASP 47 -6.442 -8.361 -4.073 345 HB2 ASP 47 HB2 ASP 47 -4.491 -9.035 -2.753 346 HB3 ASP 47 HB3 ASP 47 -5.196 -8.329 -1.290 347 H ASP 48 H ASP 48 -8.583 -7.872 -4.196 348 HA ASP 48 HA ASP 48 -9.938 -6.248 -2.286 349 HB2 ASP 48 HB2 ASP 48 -11.788 -6.380 -3.644 350 HB3 ASP 48 HB3 ASP 48 -10.494 -6.624 -4.790 351 H ALA 49 H ALA 49 -9.298 -9.684 -2.158 352 HA ALA 49 HA ALA 49 -11.664 -10.246 -0.470 353 HB1 ALA 49 HB1 ALA 49 -10.856 -12.570 -0.591 354 HB2 ALA 49 HB2 ALA 49 -11.023 -11.873 -2.210 355 HB3 ALA 49 HB3 ALA 49 -9.419 -12.038 -1.482 356 H THR 50 H THR 50 -8.090 -10.441 -0.298 357 HA THR 50 HA THR 50 -8.111 -10.839 2.578 358 HB THR 50 HB THR 50 -5.736 -10.085 0.869 359 HG1 THR 50 HG1 THR 50 -6.069 -11.798 -0.188 360 HG21 THR 50 HG21 THR 50 -5.325 -10.253 3.318 361 HG22 THR 50 HG22 THR 50 -5.991 -11.903 3.307 362 HG23 THR 50 HG23 THR 50 -4.497 -11.529 2.421 363 H LYS 51 H LYS 51 -8.350 -8.133 0.459 364 HA LYS 51 HA LYS 51 -8.406 -5.925 0.668 365 HB2 LYS 51 HB2 LYS 51 -9.302 -6.559 3.493 366 HB3 LYS 51 HB3 LYS 51 -9.493 -4.996 2.666 367 HG2 LYS 51 HG2 LYS 51 -10.811 -6.094 0.880 368 HG3 LYS 51 HG3 LYS 51 -10.620 -7.663 1.671 369 HD2 LYS 51 HD2 LYS 51 -11.830 -6.819 3.657 370 HD3 LYS 51 HD3 LYS 51 -12.106 -5.286 2.791 371 HE2 LYS 51 HE2 LYS 51 -13.171 -6.623 0.924 372 HE3 LYS 51 HE3 LYS 51 -12.992 -8.085 1.914 373 HZ1 LYS 51 HZ1 LYS 51 -14.551 -5.674 2.584 374 HZ2 LYS 51 HZ2 LYS 51 -15.202 -7.139 2.185 375 HZ3 LYS 51 HZ3 LYS 51 -14.357 -6.899 3.610 376 H THR 52 H THR 52 -5.945 -6.989 0.685 377 HA THR 52 HA THR 52 -4.369 -5.142 2.385 378 HB THR 52 HB THR 52 -2.547 -6.856 1.935 379 HG1 THR 52 HG1 THR 52 -2.997 -8.644 1.008 380 HG21 THR 52 HG21 THR 52 -3.374 -8.518 3.644 381 HG22 THR 52 HG22 THR 52 -3.431 -6.833 4.153 382 HG23 THR 52 HG23 THR 52 -4.922 -7.662 3.657 383 H PHE 53 H PHE 53 -2.560 -4.206 1.284 384 HA PHE 53 HA PHE 53 -2.614 -4.280 -1.658 385 HB2 PHE 53 HB2 PHE 53 -3.980 -2.346 -0.556 386 HB3 PHE 53 HB3 PHE 53 -2.429 -1.673 -0.111 387 HD1 PHE 53 HD2 PHE 53 -1.233 -2.845 -3.011 388 HD2 PHE 53 HD1 PHE 53 -4.536 -0.342 -1.771 389 HE1 PHE 53 HE2 PHE 53 -1.390 -1.889 -5.275 390 HE2 PHE 53 HE1 PHE 53 -4.596 0.664 -4.025 391 HZ PHE 53 HZ PHE 53 -3.036 -0.120 -5.794 392 H THR 54 H THR 54 -0.687 -5.335 -1.826 393 HA THR 54 HA THR 54 1.479 -4.603 0.037 394 HB THR 54 HB THR 54 2.039 -6.786 -1.840 395 HG1 THR 54 HG1 THR 54 0.148 -7.548 -1.720 396 HG21 THR 54 HG21 THR 54 1.969 -6.735 1.200 397 HG22 THR 54 HG22 THR 54 2.776 -7.925 0.163 398 HG23 THR 54 HG23 THR 54 3.367 -6.257 0.206 399 H VAL 55 H VAL 55 3.329 -3.704 -0.613 400 HA VAL 55 HA VAL 55 3.679 -3.007 -3.502 401 HB VAL 55 HB VAL 55 4.568 -1.415 -1.028 402 HG11 VAL 55 HG11 VAL 55 6.096 -1.222 -2.965 403 HG12 VAL 55 HG12 VAL 55 4.725 -0.799 -4.019 404 HG13 VAL 55 HG13 VAL 55 5.217 0.295 -2.704 405 HG21 VAL 55 HG21 VAL 55 2.304 -0.883 -2.990 406 HG22 VAL 55 HG22 VAL 55 2.161 -1.164 -1.247 407 HG23 VAL 55 HG23 VAL 55 2.936 0.308 -1.837 408 H THR 56 H THR 56 4.788 -4.883 -3.897 409 HA THR 56 HA THR 56 7.001 -5.684 -2.078 410 HB THR 56 HB THR 56 5.023 -7.233 -3.778 411 HG1 THR 56 HG1 THR 56 4.478 -8.111 -1.897 412 HG21 THR 56 HG21 THR 56 7.631 -8.297 -2.621 413 HG22 THR 56 HG22 THR 56 6.269 -9.316 -3.124 414 HG23 THR 56 HG23 THR 56 7.101 -8.319 -4.308 415 H GLU 57 H GLU 57 8.989 -6.146 -3.032 416 HA GLU 57 HA GLU 57 9.289 -5.745 -5.931 417 HB2 GLU 57 HB2 GLU 57 9.628 -3.570 -4.849 418 HB3 GLU 57 HB3 GLU 57 10.814 -4.253 -3.746 419 HG2 GLU 57 HG2 GLU 57 11.555 -4.863 -6.521 420 HG3 GLU 57 HG3 GLU 57 11.214 -3.133 -6.356 Start of MODEL 19 1 H1 MET 1 H MET 1 -16.398 2.715 6.314 2 HA MET 1 HA MET 1 -16.491 2.178 3.880 3 HB2 MET 1 HB2 MET 1 -14.187 4.179 3.903 4 HB3 MET 1 HB3 MET 1 -14.440 3.008 2.602 5 HG2 MET 1 HG2 MET 1 -16.702 3.903 2.210 6 HG3 MET 1 HG3 MET 1 -16.426 5.141 3.446 7 HE1 MET 1 HE1 MET 1 -17.365 5.477 0.367 8 HE2 MET 1 HE2 MET 1 -17.306 6.797 1.555 9 HE3 MET 1 HE3 MET 1 -16.531 6.990 -0.035 10 H GLY 2 H GLY 2 -14.954 0.542 2.934 11 HA2 GLY 2 HA2 GLY 2 -13.792 -1.054 5.021 12 HA3 GLY 2 HA3 GLY 2 -13.658 -1.320 3.263 13 H THR 3 H THR 3 -11.398 -1.778 4.835 14 HA THR 3 HA THR 3 -9.616 0.522 4.132 15 HB THR 3 HB THR 3 -9.687 -1.286 6.570 16 HG1 THR 3 HG1 THR 3 -9.360 1.339 7.038 17 HG21 THR 3 HG21 THR 3 -7.318 -1.056 5.944 18 HG22 THR 3 HG22 THR 3 -7.505 0.710 5.864 19 HG23 THR 3 HG23 THR 3 -7.696 -0.160 7.410 20 H TYR 4 H TYR 4 -7.970 -0.015 2.780 21 HA TYR 4 HA TYR 4 -7.375 -2.895 2.271 22 HB2 TYR 4 HB2 TYR 4 -6.403 -0.322 0.955 23 HB3 TYR 4 HB3 TYR 4 -5.795 -1.917 0.561 24 HD1 TYR 4 HD1 TYR 4 -7.124 -3.465 -0.874 25 HD2 TYR 4 HD2 TYR 4 -8.467 0.507 0.119 26 HE1 TYR 4 HE1 TYR 4 -8.806 -3.577 -2.695 27 HE2 TYR 4 HE2 TYR 4 -10.192 0.383 -1.640 28 HH TYR 4 HH TYR 4 -10.417 -2.280 -3.984 29 H LYS 5 H LYS 5 -5.691 -3.729 3.499 30 HA LYS 5 HA LYS 5 -4.151 -2.018 5.341 31 HB2 LYS 5 HB2 LYS 5 -4.028 -4.987 4.668 32 HB3 LYS 5 HB3 LYS 5 -3.096 -4.223 5.951 33 HG2 LYS 5 HG2 LYS 5 -4.964 -3.908 7.325 34 HG3 LYS 5 HG3 LYS 5 -6.114 -3.960 5.980 35 HD2 LYS 5 HD2 LYS 5 -5.755 -6.353 5.667 36 HD3 LYS 5 HD3 LYS 5 -4.524 -6.366 6.950 37 HE2 LYS 5 HE2 LYS 5 -6.187 -5.713 8.612 38 HE3 LYS 5 HE3 LYS 5 -7.433 -5.531 7.364 39 HZ1 LYS 5 HZ1 LYS 5 -7.566 -7.633 8.575 40 HZ2 LYS 5 HZ2 LYS 5 -7.391 -7.859 6.971 41 HZ3 LYS 5 HZ3 LYS 5 -6.094 -8.075 7.970 42 H LEU 6 H LEU 6 -2.621 -0.765 4.358 43 HA LEU 6 HA LEU 6 -1.319 -1.724 1.928 44 HB2 LEU 6 HB2 LEU 6 -2.292 0.580 2.185 45 HB3 LEU 6 HB3 LEU 6 -1.053 0.962 3.341 46 HG LEU 6 HG LEU 6 -0.797 1.698 0.883 47 HD11 LEU 6 HD11 LEU 6 1.001 1.892 2.542 48 HD12 LEU 6 HD12 LEU 6 1.540 0.248 2.135 49 HD13 LEU 6 HD13 LEU 6 1.615 1.537 0.916 50 HD21 LEU 6 HD21 LEU 6 0.258 -1.107 0.421 51 HD22 LEU 6 HD22 LEU 6 -1.283 -0.458 -0.192 52 HD23 LEU 6 HD23 LEU 6 0.238 0.260 -0.711 53 H ILE 7 H ILE 7 0.392 -3.010 2.172 54 HA ILE 7 HA ILE 7 2.277 -2.591 4.441 55 HB ILE 7 HB ILE 7 1.394 -5.052 2.900 56 HG12 ILE 7 HG12 ILE 7 1.327 -6.052 5.209 57 HG13 ILE 7 HG13 ILE 7 1.728 -4.478 5.885 58 HG21 ILE 7 HG21 ILE 7 3.884 -5.130 2.881 59 HG22 ILE 7 HG22 ILE 7 3.900 -4.900 4.641 60 HG23 ILE 7 HG23 ILE 7 3.187 -6.356 3.914 61 HD11 ILE 7 HD11 ILE 7 -0.437 -3.599 5.202 62 HD12 ILE 7 HD12 ILE 7 -0.767 -5.064 4.233 63 HD13 ILE 7 HD13 ILE 7 -0.694 -5.150 6.004 64 H LEU 8 H LEU 8 4.388 -2.412 3.997 65 HA LEU 8 HA LEU 8 5.295 -1.853 1.194 66 HB2 LEU 8 HB2 LEU 8 5.834 -0.623 3.899 67 HB3 LEU 8 HB3 LEU 8 7.184 -0.748 2.797 68 HG LEU 8 HG LEU 8 6.154 0.698 1.172 69 HD11 LEU 8 HD11 LEU 8 3.831 0.069 1.285 70 HD12 LEU 8 HD12 LEU 8 3.713 0.619 2.972 71 HD13 LEU 8 HD13 LEU 8 3.953 1.792 1.655 72 HD21 LEU 8 HD21 LEU 8 7.322 1.914 2.855 73 HD22 LEU 8 HD22 LEU 8 5.751 2.739 2.771 74 HD23 LEU 8 HD23 LEU 8 6.068 1.618 4.071 75 H ASN 9 H ASN 9 6.856 -3.304 0.509 76 HA ASN 9 HA ASN 9 8.408 -4.785 2.565 77 HB2 ASN 9 HB2 ASN 9 6.447 -6.137 1.759 78 HB3 ASN 9 HB3 ASN 9 7.119 -6.086 0.134 79 HD21 ASN 9 HD22 ASN 9 9.824 -6.601 0.395 80 HD22 ASN 9 HD21 ASN 9 10.004 -8.138 1.150 81 H GLY 10 H GLY 10 9.960 -3.147 2.114 82 HA2 GLY 10 HA2 GLY 10 10.971 -2.701 -0.562 83 HA3 GLY 10 HA3 GLY 10 11.530 -2.032 0.972 84 H LYS 11 H LYS 11 13.412 -2.783 -0.782 85 HA LYS 11 HA LYS 11 14.283 -5.519 -0.288 86 HB2 LYS 11 HB2 LYS 11 16.230 -5.052 -1.567 87 HB3 LYS 11 HB3 LYS 11 14.840 -4.421 -2.418 88 HG2 LYS 11 HG2 LYS 11 16.476 -2.541 -0.683 89 HG3 LYS 11 HG3 LYS 11 17.141 -3.075 -2.211 90 HD2 LYS 11 HD2 LYS 11 15.123 -2.250 -3.386 91 HD3 LYS 11 HD3 LYS 11 14.504 -1.654 -1.843 92 HE2 LYS 11 HE2 LYS 11 16.703 -0.300 -1.669 93 HE3 LYS 11 HE3 LYS 11 16.961 -0.731 -3.369 94 HZ1 LYS 11 HZ1 LYS 11 15.848 1.285 -3.490 95 HZ2 LYS 11 HZ2 LYS 11 14.590 0.234 -3.634 96 HZ3 LYS 11 HZ3 LYS 11 14.882 0.955 -2.193 97 H THR 12 H THR 12 14.429 -2.808 1.688 98 HA THR 12 HA THR 12 16.592 -4.071 3.308 99 HB THR 12 HB THR 12 16.383 -1.074 3.218 100 HG1 THR 12 HG1 THR 12 17.352 -0.792 1.439 101 HG21 THR 12 HG21 THR 12 18.770 -1.147 3.632 102 HG22 THR 12 HG22 THR 12 17.971 -2.237 4.766 103 HG23 THR 12 HG23 THR 12 18.809 -2.905 3.353 104 H LEU 13 H LEU 13 13.441 -2.492 3.235 105 HA LEU 13 HA LEU 13 13.182 -2.845 6.089 106 HB2 LEU 13 HB2 LEU 13 12.564 -0.591 6.584 107 HB3 LEU 13 HB3 LEU 13 14.153 -0.604 5.882 108 HG LEU 13 HG LEU 13 13.190 1.283 5.049 109 HD11 LEU 13 HD11 LEU 13 12.659 -0.565 2.716 110 HD12 LEU 13 HD12 LEU 13 12.958 1.176 2.678 111 HD13 LEU 13 HD13 LEU 13 14.251 0.092 3.193 112 HD21 LEU 13 HD21 LEU 13 11.007 1.617 4.184 113 HD22 LEU 13 HD22 LEU 13 10.652 -0.124 4.189 114 HD23 LEU 13 HD23 LEU 13 10.876 0.765 5.731 115 H LYS 14 H LYS 14 10.926 -2.655 6.771 116 HA LYS 14 HA LYS 14 8.955 -2.977 4.555 117 HB2 LYS 14 HB2 LYS 14 9.030 -4.603 7.128 118 HB3 LYS 14 HB3 LYS 14 7.817 -4.689 5.841 119 HG2 LYS 14 HG2 LYS 14 9.872 -5.203 4.268 120 HG3 LYS 14 HG3 LYS 14 10.704 -5.597 5.781 121 HD2 LYS 14 HD2 LYS 14 8.820 -7.210 6.296 122 HD3 LYS 14 HD3 LYS 14 8.131 -6.838 4.705 123 HE2 LYS 14 HE2 LYS 14 10.403 -7.510 3.718 124 HE3 LYS 14 HE3 LYS 14 10.840 -8.095 5.330 125 HZ1 LYS 14 HZ1 LYS 14 8.832 -9.543 5.166 126 HZ2 LYS 14 HZ2 LYS 14 8.655 -9.046 3.607 127 HZ3 LYS 14 HZ3 LYS 14 10.006 -9.890 4.028 128 H GLY 15 H GLY 15 6.603 -2.720 5.454 129 HA2 GLY 15 HA2 GLY 15 6.347 -0.873 7.691 130 HA3 GLY 15 HA3 GLY 15 6.042 -0.146 6.104 131 H GLU 16 H GLU 16 4.044 -0.406 8.089 132 HA GLU 16 HA GLU 16 2.032 -2.010 6.657 133 HB2 GLU 16 HB2 GLU 16 3.001 -3.502 8.443 134 HB3 GLU 16 HB3 GLU 16 2.598 -2.279 9.651 135 HG2 GLU 16 HG2 GLU 16 0.158 -2.511 8.884 136 HG3 GLU 16 HG3 GLU 16 0.673 -3.881 7.912 137 H THR 17 H THR 17 0.355 -0.566 6.354 138 HA THR 17 HA THR 17 -0.307 1.438 8.424 139 HB THR 17 HB THR 17 -0.527 3.054 6.421 140 HG1 THR 17 HG1 THR 17 0.605 0.939 5.183 141 HG21 THR 17 HG21 THR 17 1.114 3.355 8.240 142 HG22 THR 17 HG22 THR 17 2.273 2.339 7.355 143 HG23 THR 17 HG23 THR 17 1.730 3.882 6.668 144 H THR 18 H THR 18 -2.453 2.510 7.885 145 HA THR 18 HA THR 18 -4.206 0.910 6.091 146 HB THR 18 HB THR 18 -5.866 0.905 8.127 147 HG1 THR 18 HG1 THR 18 -3.969 2.015 9.357 148 HG21 THR 18 HG21 THR 18 -3.571 -1.087 8.225 149 HG22 THR 18 HG22 THR 18 -5.199 -1.292 8.896 150 HG23 THR 18 HG23 THR 18 -4.984 -1.179 7.146 151 H THR 19 H THR 19 -5.792 2.221 5.182 152 HA THR 19 HA THR 19 -6.762 4.611 6.482 153 HB THR 19 HB THR 19 -5.184 4.741 3.883 154 HG1 THR 19 HG1 THR 19 -4.298 4.942 6.135 155 HG21 THR 19 HG21 THR 19 -5.801 7.152 3.840 156 HG22 THR 19 HG22 THR 19 -7.206 6.102 3.578 157 HG23 THR 19 HG23 THR 19 -6.957 6.866 5.159 158 H GLU 20 H GLU 20 -8.931 4.958 5.816 159 HA GLU 20 HA GLU 20 -9.974 2.794 4.064 160 HB2 GLU 20 HB2 GLU 20 -12.113 3.165 4.946 161 HB3 GLU 20 HB3 GLU 20 -10.972 2.991 6.272 162 HG2 GLU 20 HG2 GLU 20 -11.075 5.505 6.553 163 HG3 GLU 20 HG3 GLU 20 -12.379 5.509 5.342 164 H ALA 21 H ALA 21 -10.407 3.232 2.005 165 HA ALA 21 HA ALA 21 -10.909 6.035 1.154 166 HB1 ALA 21 HB1 ALA 21 -8.601 5.311 0.571 167 HB2 ALA 21 HB2 ALA 21 -9.268 3.864 -0.234 168 HB3 ALA 21 HB3 ALA 21 -9.633 5.479 -0.862 169 H VAL 22 H VAL 22 -11.950 5.915 -1.174 170 HA VAL 22 HA VAL 22 -14.293 4.193 -0.896 171 HB VAL 22 HB VAL 22 -14.614 6.432 -1.630 172 HG11 VAL 22 HG11 VAL 22 -13.878 7.334 -3.786 173 HG12 VAL 22 HG12 VAL 22 -12.489 6.961 -2.766 174 HG13 VAL 22 HG13 VAL 22 -12.935 5.878 -4.107 175 HG21 VAL 22 HG21 VAL 22 -15.194 4.579 -3.960 176 HG22 VAL 22 HG22 VAL 22 -16.159 4.714 -2.471 177 HG23 VAL 22 HG23 VAL 22 -16.021 6.096 -3.570 178 H ASP 23 H ASP 23 -11.340 4.293 -2.996 179 HA ASP 23 HA ASP 23 -11.901 1.501 -3.744 180 HB2 ASP 23 HB2 ASP 23 -12.658 3.539 -5.424 181 HB3 ASP 23 HB3 ASP 23 -10.985 3.339 -5.930 182 H ALA 24 H ALA 24 -9.986 0.581 -4.843 183 HA ALA 24 HA ALA 24 -7.652 0.778 -3.311 184 HB1 ALA 24 HB1 ALA 24 -6.636 -0.594 -5.151 185 HB2 ALA 24 HB2 ALA 24 -8.206 -1.217 -4.618 186 HB3 ALA 24 HB3 ALA 24 -8.084 -0.281 -6.116 187 H ALA 25 H ALA 25 -8.336 2.250 -6.523 188 HA ALA 25 HA ALA 25 -5.793 3.311 -7.010 189 HB1 ALA 25 HB1 ALA 25 -7.581 3.311 -8.680 190 HB2 ALA 25 HB2 ALA 25 -8.501 4.507 -7.733 191 HB3 ALA 25 HB3 ALA 25 -6.940 4.949 -8.466 192 H THR 26 H THR 26 -8.384 4.676 -4.894 193 HA THR 26 HA THR 26 -7.035 7.201 -4.539 194 HB THR 26 HB THR 26 -9.072 5.714 -2.837 195 HG1 THR 26 HG1 THR 26 -10.116 7.875 -3.770 196 HG21 THR 26 HG21 THR 26 -9.494 7.851 -1.663 197 HG22 THR 26 HG22 THR 26 -7.842 7.317 -1.382 198 HG23 THR 26 HG23 THR 26 -8.156 8.618 -2.544 199 H ALA 27 H ALA 27 -7.134 4.109 -2.661 200 HA ALA 27 HA ALA 27 -5.375 4.927 -0.611 201 HB1 ALA 27 HB1 ALA 27 -5.793 2.126 -1.744 202 HB2 ALA 27 HB2 ALA 27 -5.070 2.551 -0.183 203 HB3 ALA 27 HB3 ALA 27 -6.780 2.902 -0.482 204 H GLU 28 H GLU 28 -4.665 3.327 -3.738 205 HA GLU 28 HA GLU 28 -1.857 3.022 -3.475 206 HB2 GLU 28 HB2 GLU 28 -3.300 1.954 -5.178 207 HB3 GLU 28 HB3 GLU 28 -3.653 3.525 -5.889 208 HG2 GLU 28 HG2 GLU 28 -1.099 3.697 -6.337 209 HG3 GLU 28 HG3 GLU 28 -1.054 1.968 -5.978 210 H LYS 29 H LYS 29 -3.726 5.671 -5.085 211 HA LYS 29 HA LYS 29 -1.415 7.244 -5.609 212 HB2 LYS 29 HB2 LYS 29 -3.690 7.394 -6.699 213 HB3 LYS 29 HB3 LYS 29 -4.273 8.246 -5.260 214 HG2 LYS 29 HG2 LYS 29 -2.741 10.082 -5.664 215 HG3 LYS 29 HG3 LYS 29 -1.844 9.144 -6.873 216 HD2 LYS 29 HD2 LYS 29 -3.171 10.758 -8.022 217 HD3 LYS 29 HD3 LYS 29 -3.857 9.155 -8.344 218 HE2 LYS 29 HE2 LYS 29 -5.512 9.607 -6.458 219 HE3 LYS 29 HE3 LYS 29 -4.889 11.268 -6.387 220 HZ1 LYS 29 HZ1 LYS 29 -5.534 11.468 -8.735 221 HZ2 LYS 29 HZ2 LYS 29 -6.223 9.968 -8.670 222 HZ3 LYS 29 HZ3 LYS 29 -6.823 11.183 -7.735 223 H VAL 30 H VAL 30 -3.467 7.087 -2.675 224 HA VAL 30 HA VAL 30 -2.256 9.440 -1.501 225 HB VAL 30 HB VAL 30 -4.078 7.226 -0.538 226 HG11 VAL 30 HG11 VAL 30 -4.333 8.558 1.597 227 HG12 VAL 30 HG12 VAL 30 -2.828 7.644 1.454 228 HG13 VAL 30 HG13 VAL 30 -2.819 9.391 1.156 229 HG21 VAL 30 HG21 VAL 30 -4.429 10.255 -0.725 230 HG22 VAL 30 HG22 VAL 30 -4.958 9.121 -1.973 231 HG23 VAL 30 HG23 VAL 30 -5.689 9.054 -0.366 232 H PHE 31 H PHE 31 -1.874 5.895 -0.720 233 HA PHE 31 HA PHE 31 0.249 6.424 1.049 234 HB2 PHE 31 HB2 PHE 31 -0.853 3.934 -0.225 235 HB3 PHE 31 HB3 PHE 31 0.664 3.857 0.647 236 HD1 PHE 31 HD2 PHE 31 0.654 5.273 2.985 237 HD2 PHE 31 HD1 PHE 31 -2.732 3.333 1.141 238 HE1 PHE 31 HE2 PHE 31 -0.398 5.068 5.183 239 HE2 PHE 31 HE1 PHE 31 -3.750 3.045 3.381 240 HZ PHE 31 HZ PHE 31 -2.578 3.913 5.414 241 H LYS 32 H LYS 32 0.533 6.436 -2.400 242 HA LYS 32 HA LYS 32 3.146 5.379 -2.599 243 HB2 LYS 32 HB2 LYS 32 1.534 6.100 -4.437 244 HB3 LYS 32 HB3 LYS 32 2.170 7.741 -4.241 245 HG2 LYS 32 HG2 LYS 32 4.410 7.001 -4.856 246 HG3 LYS 32 HG3 LYS 32 3.932 5.294 -4.728 247 HD2 LYS 32 HD2 LYS 32 2.240 5.682 -6.544 248 HD3 LYS 32 HD3 LYS 32 2.925 7.307 -6.779 249 HE2 LYS 32 HE2 LYS 32 5.082 6.340 -7.398 250 HE3 LYS 32 HE3 LYS 32 4.543 4.721 -6.914 251 HZ1 LYS 32 HZ1 LYS 32 3.391 6.296 -9.124 252 HZ2 LYS 32 HZ2 LYS 32 4.396 5.028 -9.292 253 HZ3 LYS 32 HZ3 LYS 32 2.906 4.779 -8.647 254 H GLN 33 H GLN 33 2.059 8.473 -1.376 255 HA GLN 33 HA GLN 33 4.515 9.871 -1.254 256 HB2 GLN 33 HB2 GLN 33 1.803 10.001 0.008 257 HB3 GLN 33 HB3 GLN 33 3.056 10.705 0.991 258 HG2 GLN 33 HG2 GLN 33 3.590 12.364 -0.536 259 HG3 GLN 33 HG3 GLN 33 2.988 11.446 -1.915 260 HE21 GLN 33 HE22 GLN 33 2.275 14.128 -0.103 261 HE22 GLN 33 HE21 GLN 33 0.536 14.160 -0.292 262 H TYR 34 H TYR 34 2.888 7.860 1.267 263 HA TYR 34 HA TYR 34 5.006 7.946 3.155 264 HB2 TYR 34 HB2 TYR 34 2.879 7.289 3.926 265 HB3 TYR 34 HB3 TYR 34 2.664 6.134 2.623 266 HD1 TYR 34 HD2 TYR 34 5.082 6.634 5.517 267 HD2 TYR 34 HD1 TYR 34 2.672 3.894 3.190 268 HE1 TYR 34 HE2 TYR 34 5.776 4.768 6.979 269 HE2 TYR 34 HE1 TYR 34 3.351 2.052 4.669 270 HH TYR 34 HH TYR 34 5.089 2.422 7.630 271 H ALA 35 H ALA 35 4.289 5.567 0.545 272 HA ALA 35 HA ALA 35 6.380 3.772 1.144 273 HB1 ALA 35 HB1 ALA 35 5.129 4.402 -1.549 274 HB2 ALA 35 HB2 ALA 35 6.067 2.949 -1.146 275 HB3 ALA 35 HB3 ALA 35 4.505 3.237 -0.357 276 H ASN 36 H ASN 36 6.503 6.412 -1.385 277 HA ASN 36 HA ASN 36 9.302 5.831 -1.736 278 HB2 ASN 36 HB2 ASN 36 7.897 7.018 -3.472 279 HB3 ASN 36 HB3 ASN 36 7.987 8.472 -2.466 280 HD21 ASN 36 HD22 ASN 36 9.273 9.587 -4.147 281 HD22 ASN 36 HD21 ASN 36 10.985 9.185 -4.320 282 H ASP 37 H ASP 37 7.535 8.036 0.433 283 HA ASP 37 HA ASP 37 9.762 9.604 1.184 284 HB2 ASP 37 HB2 ASP 37 7.557 10.317 1.692 285 HB3 ASP 37 HB3 ASP 37 7.282 8.935 2.779 286 H ASN 38 H ASN 38 8.691 6.398 2.210 287 HA ASN 38 HA ASN 38 10.744 6.335 4.301 288 HB2 ASN 38 HB2 ASN 38 8.297 5.390 4.535 289 HB3 ASN 38 HB3 ASN 38 8.964 3.982 3.705 290 HD21 ASN 38 HD22 ASN 38 8.521 2.791 5.828 291 HD22 ASN 38 HD21 ASN 38 9.703 2.976 7.106 292 H GLY 39 H GLY 39 10.884 5.863 1.035 293 HA2 GLY 39 HA2 GLY 39 12.739 5.099 -0.121 294 HA3 GLY 39 HA3 GLY 39 13.315 4.247 1.304 295 H VAL 40 H VAL 40 10.035 3.728 -0.200 296 HA VAL 40 HA VAL 40 10.976 1.032 -1.053 297 HB VAL 40 HB VAL 40 8.295 1.752 0.184 298 HG11 VAL 40 HG11 VAL 40 9.432 -0.917 -0.769 299 HG12 VAL 40 HG12 VAL 40 7.947 -0.736 0.186 300 HG13 VAL 40 HG13 VAL 40 8.036 -0.060 -1.442 301 HG21 VAL 40 HG21 VAL 40 9.067 0.254 2.048 302 HG22 VAL 40 HG22 VAL 40 10.672 0.195 1.297 303 HG23 VAL 40 HG23 VAL 40 10.021 1.730 1.913 304 H ASP 41 H ASP 41 10.554 0.463 -3.122 305 HA ASP 41 HA ASP 41 8.492 1.892 -4.676 306 HB2 ASP 41 HB2 ASP 41 10.687 3.187 -4.843 307 HB3 ASP 41 HB3 ASP 41 11.398 1.782 -5.622 308 H GLY 42 H GLY 42 7.321 -0.020 -5.044 309 HA2 GLY 42 HA2 GLY 42 8.609 -2.039 -6.746 310 HA3 GLY 42 HA3 GLY 42 7.944 -2.556 -5.189 311 H GLU 43 H GLU 43 6.719 -3.880 -6.901 312 HA GLU 43 HA GLU 43 4.691 -2.624 -8.473 313 HB2 GLU 43 HB2 GLU 43 5.826 -4.954 -8.741 314 HB3 GLU 43 HB3 GLU 43 4.677 -5.522 -7.530 315 HG2 GLU 43 HG2 GLU 43 3.837 -5.993 -9.770 316 HG3 GLU 43 HG3 GLU 43 2.799 -4.779 -9.007 317 H TRP 44 H TRP 44 2.746 -1.916 -7.935 318 HA TRP 44 HA TRP 44 1.723 -2.178 -5.199 319 HB2 TRP 44 HB2 TRP 44 1.012 -0.490 -7.638 320 HB3 TRP 44 HB3 TRP 44 0.028 -0.477 -6.195 321 HD1 TRP 44 HD1 TRP 44 3.672 0.218 -7.232 322 HE1 TRP 44 HE1 TRP 44 4.729 1.922 -5.712 323 HE3 TRP 44 HE3 TRP 44 -0.264 0.963 -4.008 324 HZ2 TRP 44 HZ2 TRP 44 4.075 3.252 -3.239 325 HZ3 TRP 44 HZ3 TRP 44 0.024 2.395 -2.018 326 HH2 TRP 44 HH2 TRP 44 2.210 3.497 -1.582 327 H THR 45 H THR 45 0.810 -4.246 -4.985 328 HA THR 45 HA THR 45 -1.357 -4.937 -6.930 329 HB THR 45 HB THR 45 0.453 -6.815 -5.387 330 HG1 THR 45 HG1 THR 45 1.515 -7.046 -7.284 331 HG21 THR 45 HG21 THR 45 -1.475 -7.326 -7.702 332 HG22 THR 45 HG22 THR 45 -0.433 -8.525 -6.928 333 HG23 THR 45 HG23 THR 45 -1.768 -7.806 -6.011 334 H TYR 46 H TYR 46 -3.314 -4.942 -6.181 335 HA TYR 46 HA TYR 46 -3.865 -4.803 -3.285 336 HB2 TYR 46 HB2 TYR 46 -5.881 -3.725 -3.880 337 HB3 TYR 46 HB3 TYR 46 -4.647 -3.027 -4.922 338 HD1 TYR 46 HD2 TYR 46 -7.613 -5.242 -4.804 339 HD2 TYR 46 HD1 TYR 46 -4.671 -3.371 -7.361 340 HE1 TYR 46 HE2 TYR 46 -8.833 -6.051 -6.779 341 HE2 TYR 46 HE1 TYR 46 -5.900 -4.172 -9.352 342 HH TYR 46 HH TYR 46 -8.341 -6.585 -9.201 343 H ASP 47 H ASP 47 -5.490 -6.122 -2.303 344 HA ASP 47 HA ASP 47 -6.637 -8.364 -3.853 345 HB2 ASP 47 HB2 ASP 47 -4.622 -9.260 -2.765 346 HB3 ASP 47 HB3 ASP 47 -5.198 -8.693 -1.194 347 H ASP 48 H ASP 48 -8.595 -7.335 -3.816 348 HA ASP 48 HA ASP 48 -9.689 -5.890 -1.606 349 HB2 ASP 48 HB2 ASP 48 -11.648 -5.728 -2.971 350 HB3 ASP 48 HB3 ASP 48 -10.256 -5.578 -4.044 351 H ALA 49 H ALA 49 -9.544 -9.324 -2.269 352 HA ALA 49 HA ALA 49 -11.954 -9.992 -0.720 353 HB1 ALA 49 HB1 ALA 49 -9.730 -11.805 -1.724 354 HB2 ALA 49 HB2 ALA 49 -11.293 -12.304 -1.065 355 HB3 ALA 49 HB3 ALA 49 -11.233 -11.432 -2.605 356 H THR 50 H THR 50 -8.409 -10.334 -0.404 357 HA THR 50 HA THR 50 -8.486 -11.125 2.370 358 HB THR 50 HB THR 50 -6.187 -10.171 0.640 359 HG1 THR 50 HG1 THR 50 -6.392 -11.953 -0.391 360 HG21 THR 50 HG21 THR 50 -4.784 -11.578 1.973 361 HG22 THR 50 HG22 THR 50 -5.578 -10.443 3.053 362 HG23 THR 50 HG23 THR 50 -6.151 -12.132 2.971 363 H LYS 51 H LYS 51 -8.522 -8.094 0.718 364 HA LYS 51 HA LYS 51 -8.599 -5.969 1.281 365 HB2 LYS 51 HB2 LYS 51 -8.854 -6.642 4.219 366 HB3 LYS 51 HB3 LYS 51 -9.338 -5.180 3.362 367 HG2 LYS 51 HG2 LYS 51 -10.978 -6.573 2.024 368 HG3 LYS 51 HG3 LYS 51 -10.597 -7.943 3.094 369 HD2 LYS 51 HD2 LYS 51 -11.291 -6.570 5.061 370 HD3 LYS 51 HD3 LYS 51 -11.714 -5.245 3.939 371 HE2 LYS 51 HE2 LYS 51 -13.182 -6.966 2.727 372 HE3 LYS 51 HE3 LYS 51 -12.949 -8.033 4.114 373 HZ1 LYS 51 HZ1 LYS 51 -13.936 -6.252 5.490 374 HZ2 LYS 51 HZ2 LYS 51 -14.093 -5.318 4.156 375 HZ3 LYS 51 HZ3 LYS 51 -14.953 -6.722 4.247 376 H THR 52 H THR 52 -6.109 -7.298 0.930 377 HA THR 52 HA THR 52 -4.320 -5.582 2.556 378 HB THR 52 HB THR 52 -2.595 -7.365 2.164 379 HG1 THR 52 HG1 THR 52 -3.322 -8.654 0.666 380 HG21 THR 52 HG21 THR 52 -3.421 -8.883 3.950 381 HG22 THR 52 HG22 THR 52 -3.640 -7.185 4.352 382 HG23 THR 52 HG23 THR 52 -5.034 -8.157 3.820 383 H PHE 53 H PHE 53 -2.476 -4.759 1.379 384 HA PHE 53 HA PHE 53 -2.591 -4.819 -1.531 385 HB2 PHE 53 HB2 PHE 53 -4.095 -2.956 -0.608 386 HB3 PHE 53 HB3 PHE 53 -2.665 -2.231 0.087 387 HD1 PHE 53 HD2 PHE 53 -0.643 -2.446 -2.117 388 HD2 PHE 53 HD1 PHE 53 -4.867 -1.527 -2.274 389 HE1 PHE 53 HE2 PHE 53 -0.325 -1.379 -4.252 390 HE2 PHE 53 HE1 PHE 53 -4.498 -0.356 -4.443 391 HZ PHE 53 HZ PHE 53 -2.258 -0.327 -5.476 392 H THR 54 H THR 54 -0.414 -5.221 -2.029 393 HA THR 54 HA THR 54 1.563 -4.428 0.054 394 HB THR 54 HB THR 54 2.061 -6.797 -1.702 395 HG1 THR 54 HG1 THR 54 1.119 -8.151 -0.235 396 HG21 THR 54 HG21 THR 54 2.649 -6.206 1.227 397 HG22 THR 54 HG22 THR 54 3.338 -7.516 0.266 398 HG23 THR 54 HG23 THR 54 3.768 -5.852 -0.110 399 H VAL 55 H VAL 55 3.322 -3.386 -0.565 400 HA VAL 55 HA VAL 55 3.811 -2.860 -3.457 401 HB VAL 55 HB VAL 55 4.685 -1.235 -1.020 402 HG11 VAL 55 HG11 VAL 55 6.139 -1.003 -3.005 403 HG12 VAL 55 HG12 VAL 55 4.722 -0.632 -4.012 404 HG13 VAL 55 HG13 VAL 55 5.219 0.485 -2.720 405 HG21 VAL 55 HG21 VAL 55 2.350 -0.755 -2.905 406 HG22 VAL 55 HG22 VAL 55 2.264 -1.080 -1.158 407 HG23 VAL 55 HG23 VAL 55 2.986 0.420 -1.728 408 H THR 56 H THR 56 5.063 -4.697 -3.867 409 HA THR 56 HA THR 56 7.222 -5.373 -1.939 410 HB THR 56 HB THR 56 6.115 -7.144 -4.129 411 HG1 THR 56 HG1 THR 56 4.419 -6.876 -2.932 412 HG21 THR 56 HG21 THR 56 7.628 -7.730 -1.547 413 HG22 THR 56 HG22 THR 56 6.966 -8.948 -2.655 414 HG23 THR 56 HG23 THR 56 8.258 -7.871 -3.207 415 H GLU 57 H GLU 57 9.243 -4.916 -2.460 416 HA GLU 57 HA GLU 57 9.959 -4.221 -5.260 417 HB2 GLU 57 HB2 GLU 57 9.912 -2.304 -3.773 418 HB3 GLU 57 HB3 GLU 57 10.795 -3.197 -2.530 419 HG2 GLU 57 HG2 GLU 57 12.809 -3.234 -3.823 420 HG3 GLU 57 HG3 GLU 57 11.989 -2.587 -5.241 Start of MODEL 20 1 H1 MET 1 H MET 1 -18.647 1.122 3.070 2 HA MET 1 HA MET 1 -16.796 2.561 2.620 3 HB2 MET 1 HB2 MET 1 -17.361 3.920 4.768 4 HB3 MET 1 HB3 MET 1 -16.326 2.768 5.618 5 HG2 MET 1 HG2 MET 1 -15.134 4.805 5.002 6 HG3 MET 1 HG3 MET 1 -14.420 3.410 4.215 7 HE1 MET 1 HE1 MET 1 -14.115 6.627 3.626 8 HE2 MET 1 HE2 MET 1 -13.130 5.324 2.946 9 HE3 MET 1 HE3 MET 1 -13.878 6.525 1.865 10 H GLY 2 H GLY 2 -14.416 1.830 2.866 11 HA2 GLY 2 HA2 GLY 2 -14.158 -0.907 3.966 12 HA3 GLY 2 HA3 GLY 2 -13.700 -0.514 2.316 13 H THR 3 H THR 3 -11.661 -1.475 3.775 14 HA THR 3 HA THR 3 -9.927 0.836 4.265 15 HB THR 3 HB THR 3 -10.423 -1.406 6.275 16 HG1 THR 3 HG1 THR 3 -11.687 0.753 5.936 17 HG21 THR 3 HG21 THR 3 -8.020 -0.800 6.303 18 HG22 THR 3 HG22 THR 3 -8.449 0.920 6.463 19 HG23 THR 3 HG23 THR 3 -8.837 -0.232 7.761 20 H TYR 4 H TYR 4 -7.735 0.352 3.786 21 HA TYR 4 HA TYR 4 -7.188 -2.368 2.667 22 HB2 TYR 4 HB2 TYR 4 -6.287 0.333 1.593 23 HB3 TYR 4 HB3 TYR 4 -5.580 -1.202 1.125 24 HD1 TYR 4 HD1 TYR 4 -6.955 -2.934 -0.140 25 HD2 TYR 4 HD2 TYR 4 -8.327 1.093 0.606 26 HE1 TYR 4 HE1 TYR 4 -8.698 -3.206 -1.879 27 HE2 TYR 4 HE2 TYR 4 -10.043 0.842 -1.143 28 HH TYR 4 HH TYR 4 -10.852 -2.259 -2.580 29 H LYS 5 H LYS 5 -5.545 -3.330 3.633 30 HA LYS 5 HA LYS 5 -3.881 -1.875 5.611 31 HB2 LYS 5 HB2 LYS 5 -4.206 -4.800 4.834 32 HB3 LYS 5 HB3 LYS 5 -3.017 -4.230 6.020 33 HG2 LYS 5 HG2 LYS 5 -4.802 -3.346 7.452 34 HG3 LYS 5 HG3 LYS 5 -6.022 -3.742 6.227 35 HD2 LYS 5 HD2 LYS 5 -5.385 -6.150 6.422 36 HD3 LYS 5 HD3 LYS 5 -4.312 -5.744 7.766 37 HE2 LYS 5 HE2 LYS 5 -6.069 -5.163 9.195 38 HE3 LYS 5 HE3 LYS 5 -7.152 -4.724 7.859 39 HZ1 LYS 5 HZ1 LYS 5 -7.792 -6.774 8.939 40 HZ2 LYS 5 HZ2 LYS 5 -7.471 -6.970 7.335 41 HZ3 LYS 5 HZ3 LYS 5 -6.367 -7.489 8.448 42 H LEU 6 H LEU 6 -2.150 -0.869 4.792 43 HA LEU 6 HA LEU 6 -1.067 -1.596 2.169 44 HB2 LEU 6 HB2 LEU 6 -1.604 0.778 3.043 45 HB3 LEU 6 HB3 LEU 6 -0.189 0.618 4.046 46 HG LEU 6 HG LEU 6 0.467 1.857 2.156 47 HD11 LEU 6 HD11 LEU 6 2.141 0.636 0.952 48 HD12 LEU 6 HD12 LEU 6 2.157 0.058 2.616 49 HD13 LEU 6 HD13 LEU 6 1.402 -0.921 1.335 50 HD21 LEU 6 HD21 LEU 6 0.019 1.158 -0.156 51 HD22 LEU 6 HD22 LEU 6 -0.862 -0.263 0.431 52 HD23 LEU 6 HD23 LEU 6 -1.482 1.353 0.740 53 H ILE 7 H ILE 7 0.408 -3.285 2.220 54 HA ILE 7 HA ILE 7 2.299 -3.443 4.543 55 HB ILE 7 HB ILE 7 1.419 -5.586 2.567 56 HG12 ILE 7 HG12 ILE 7 0.949 -6.884 4.669 57 HG13 ILE 7 HG13 ILE 7 1.284 -5.445 5.625 58 HG21 ILE 7 HG21 ILE 7 3.887 -5.737 2.947 59 HG22 ILE 7 HG22 ILE 7 3.616 -5.714 4.699 60 HG23 ILE 7 HG23 ILE 7 3.042 -7.077 3.705 61 HD11 ILE 7 HD11 ILE 7 -0.702 -4.361 4.793 62 HD12 ILE 7 HD12 ILE 7 -0.931 -5.613 3.538 63 HD13 ILE 7 HD13 ILE 7 -1.145 -6.003 5.260 64 H LEU 8 H LEU 8 4.281 -2.700 4.129 65 HA LEU 8 HA LEU 8 5.058 -2.100 1.324 66 HB2 LEU 8 HB2 LEU 8 4.695 -0.278 3.236 67 HB3 LEU 8 HB3 LEU 8 6.230 -0.882 3.841 68 HG LEU 8 HG LEU 8 7.116 -0.478 1.443 69 HD11 LEU 8 HD11 LEU 8 5.943 1.134 0.087 70 HD12 LEU 8 HD12 LEU 8 4.786 -0.140 0.457 71 HD13 LEU 8 HD13 LEU 8 4.701 1.386 1.342 72 HD21 LEU 8 HD21 LEU 8 7.766 0.920 3.360 73 HD22 LEU 8 HD22 LEU 8 7.518 1.937 1.932 74 HD23 LEU 8 HD23 LEU 8 6.275 1.876 3.197 75 H ASN 9 H ASN 9 6.626 -3.513 0.531 76 HA ASN 9 HA ASN 9 8.493 -4.793 2.467 77 HB2 ASN 9 HB2 ASN 9 6.865 -6.448 1.865 78 HB3 ASN 9 HB3 ASN 9 6.916 -5.993 0.168 79 HD21 ASN 9 HD22 ASN 9 9.165 -6.257 -0.932 80 HD22 ASN 9 HD21 ASN 9 9.873 -7.815 -0.648 81 H GLY 10 H GLY 10 10.405 -3.683 2.064 82 HA2 GLY 10 HA2 GLY 10 11.145 -3.125 -0.766 83 HA3 GLY 10 HA3 GLY 10 11.592 -2.177 0.652 84 H LYS 11 H LYS 11 13.610 -2.782 -0.868 85 HA LYS 11 HA LYS 11 14.909 -5.313 -0.197 86 HB2 LYS 11 HB2 LYS 11 16.866 -4.432 -1.369 87 HB3 LYS 11 HB3 LYS 11 15.458 -4.305 -2.366 88 HG2 LYS 11 HG2 LYS 11 16.190 -1.876 -0.730 89 HG3 LYS 11 HG3 LYS 11 17.264 -2.320 -2.055 90 HD2 LYS 11 HD2 LYS 11 15.528 -2.121 -3.679 91 HD3 LYS 11 HD3 LYS 11 14.290 -1.981 -2.439 92 HE2 LYS 11 HE2 LYS 11 15.466 0.160 -1.647 93 HE3 LYS 11 HE3 LYS 11 16.496 0.018 -3.093 94 HZ1 LYS 11 HZ1 LYS 11 13.617 0.608 -2.966 95 HZ2 LYS 11 HZ2 LYS 11 14.807 1.335 -3.912 96 HZ3 LYS 11 HZ3 LYS 11 14.190 -0.136 -4.240 97 H THR 12 H THR 12 14.523 -2.488 1.603 98 HA THR 12 HA THR 12 16.904 -3.200 3.274 99 HB THR 12 HB THR 12 16.006 -0.393 2.511 100 HG1 THR 12 HG1 THR 12 17.635 -0.286 1.147 101 HG21 THR 12 HG21 THR 12 18.506 -1.372 3.932 102 HG22 THR 12 HG22 THR 12 18.271 0.279 3.335 103 HG23 THR 12 HG23 THR 12 17.213 -0.338 4.603 104 H LEU 13 H LEU 13 13.547 -1.948 3.138 105 HA LEU 13 HA LEU 13 13.302 -2.345 6.010 106 HB2 LEU 13 HB2 LEU 13 12.475 -0.151 6.424 107 HB3 LEU 13 HB3 LEU 13 14.038 0.006 5.690 108 HG LEU 13 HG LEU 13 12.683 1.743 4.916 109 HD11 LEU 13 HD11 LEU 13 12.737 -0.182 2.564 110 HD12 LEU 13 HD12 LEU 13 12.703 1.579 2.513 111 HD13 LEU 13 HD13 LEU 13 14.128 0.773 3.166 112 HD21 LEU 13 HD21 LEU 13 10.578 1.646 3.854 113 HD22 LEU 13 HD22 LEU 13 10.550 -0.107 3.805 114 HD23 LEU 13 HD23 LEU 13 10.445 0.740 5.369 115 H LYS 14 H LYS 14 10.961 -1.997 6.654 116 HA LYS 14 HA LYS 14 8.993 -2.546 4.536 117 HB2 LYS 14 HB2 LYS 14 9.245 -4.256 7.049 118 HB3 LYS 14 HB3 LYS 14 7.966 -4.327 5.851 119 HG2 LYS 14 HG2 LYS 14 9.858 -4.838 4.125 120 HG3 LYS 14 HG3 LYS 14 10.836 -5.196 5.559 121 HD2 LYS 14 HD2 LYS 14 9.065 -6.765 6.339 122 HD3 LYS 14 HD3 LYS 14 8.146 -6.412 4.860 123 HE2 LYS 14 HE2 LYS 14 10.055 -7.250 3.496 124 HE3 LYS 14 HE3 LYS 14 10.917 -7.678 4.980 125 HZ1 LYS 14 HZ1 LYS 14 9.694 -9.525 3.951 126 HZ2 LYS 14 HZ2 LYS 14 9.169 -9.218 5.506 127 HZ3 LYS 14 HZ3 LYS 14 8.265 -8.742 4.219 128 H GLY 15 H GLY 15 6.710 -2.423 5.510 129 HA2 GLY 15 HA2 GLY 15 6.398 -0.897 7.977 130 HA3 GLY 15 HA3 GLY 15 6.104 0.021 6.505 131 H GLU 16 H GLU 16 4.074 -0.552 8.408 132 HA GLU 16 HA GLU 16 2.171 -1.954 6.680 133 HB2 GLU 16 HB2 GLU 16 2.998 -3.752 8.132 134 HB3 GLU 16 HB3 GLU 16 2.564 -2.814 9.577 135 HG2 GLU 16 HG2 GLU 16 0.208 -2.859 8.954 136 HG3 GLU 16 HG3 GLU 16 0.582 -3.510 7.362 137 H THR 17 H THR 17 0.535 -0.464 6.457 138 HA THR 17 HA THR 17 -0.315 1.136 8.806 139 HB THR 17 HB THR 17 -0.388 3.120 7.274 140 HG1 THR 17 HG1 THR 17 0.737 3.091 5.425 141 HG21 THR 17 HG21 THR 17 2.445 2.040 7.625 142 HG22 THR 17 HG22 THR 17 1.931 3.731 7.514 143 HG23 THR 17 HG23 THR 17 1.483 2.752 8.924 144 H THR 18 H THR 18 -2.482 2.404 8.113 145 HA THR 18 HA THR 18 -4.189 0.621 6.444 146 HB THR 18 HB THR 18 -5.926 1.008 8.250 147 HG1 THR 18 HG1 THR 18 -5.108 1.705 10.299 148 HG21 THR 18 HG21 THR 18 -3.441 -0.431 9.289 149 HG22 THR 18 HG22 THR 18 -5.119 -0.679 9.807 150 HG23 THR 18 HG23 THR 18 -4.625 -1.125 8.162 151 H THR 19 H THR 19 -5.848 1.732 5.262 152 HA THR 19 HA THR 19 -6.311 4.555 5.804 153 HB THR 19 HB THR 19 -4.341 4.453 4.311 154 HG1 THR 19 HG1 THR 19 -4.844 6.143 3.360 155 HG21 THR 19 HG21 THR 19 -4.578 3.952 1.944 156 HG22 THR 19 HG22 THR 19 -5.012 2.505 2.875 157 HG23 THR 19 HG23 THR 19 -6.286 3.519 2.164 158 H GLU 20 H GLU 20 -8.443 5.149 5.172 159 HA GLU 20 HA GLU 20 -10.069 2.960 3.988 160 HB2 GLU 20 HB2 GLU 20 -11.974 3.860 5.317 161 HB3 GLU 20 HB3 GLU 20 -10.755 2.936 6.182 162 HG2 GLU 20 HG2 GLU 20 -9.884 4.886 7.272 163 HG3 GLU 20 HG3 GLU 20 -10.867 5.951 6.251 164 H ALA 21 H ALA 21 -10.512 3.475 2.022 165 HA ALA 21 HA ALA 21 -11.496 6.198 1.356 166 HB1 ALA 21 HB1 ALA 21 -9.096 6.107 0.731 167 HB2 ALA 21 HB2 ALA 21 -9.407 4.645 -0.241 168 HB3 ALA 21 HB3 ALA 21 -10.158 6.195 -0.685 169 H VAL 22 H VAL 22 -12.663 6.156 -0.791 170 HA VAL 22 HA VAL 22 -14.553 4.039 -0.877 171 HB VAL 22 HB VAL 22 -14.965 6.396 -1.454 172 HG11 VAL 22 HG11 VAL 22 -14.321 7.351 -3.604 173 HG12 VAL 22 HG12 VAL 22 -12.861 6.884 -2.733 174 HG13 VAL 22 HG13 VAL 22 -13.465 5.874 -4.057 175 HG21 VAL 22 HG21 VAL 22 -15.637 4.564 -3.781 176 HG22 VAL 22 HG22 VAL 22 -16.520 4.648 -2.239 177 HG23 VAL 22 HG23 VAL 22 -16.470 6.056 -3.315 178 H ASP 23 H ASP 23 -11.443 4.455 -2.605 179 HA ASP 23 HA ASP 23 -11.899 1.834 -3.907 180 HB2 ASP 23 HB2 ASP 23 -11.526 4.522 -5.226 181 HB3 ASP 23 HB3 ASP 23 -10.608 3.178 -5.887 182 H ALA 24 H ALA 24 -10.013 0.826 -4.629 183 HA ALA 24 HA ALA 24 -7.789 0.891 -2.904 184 HB1 ALA 24 HB1 ALA 24 -8.603 -1.055 -4.313 185 HB2 ALA 24 HB2 ALA 24 -7.990 -0.222 -5.749 186 HB3 ALA 24 HB3 ALA 24 -6.878 -0.760 -4.475 187 H ALA 25 H ALA 25 -8.369 2.391 -6.071 188 HA ALA 25 HA ALA 25 -5.770 3.247 -6.703 189 HB1 ALA 25 HB1 ALA 25 -7.668 3.391 -8.266 190 HB2 ALA 25 HB2 ALA 25 -8.436 4.621 -7.231 191 HB3 ALA 25 HB3 ALA 25 -6.911 4.984 -8.070 192 H THR 26 H THR 26 -8.228 4.863 -4.562 193 HA THR 26 HA THR 26 -6.632 7.207 -4.163 194 HB THR 26 HB THR 26 -8.825 5.955 -2.464 195 HG1 THR 26 HG1 THR 26 -9.724 8.014 -3.769 196 HG21 THR 26 HG21 THR 26 -9.181 8.256 -1.607 197 HG22 THR 26 HG22 THR 26 -7.581 7.654 -1.171 198 HG23 THR 26 HG23 THR 26 -7.749 8.816 -2.503 199 H ALA 27 H ALA 27 -6.965 4.123 -2.328 200 HA ALA 27 HA ALA 27 -5.272 4.807 -0.182 201 HB1 ALA 27 HB1 ALA 27 -5.685 2.079 -1.512 202 HB2 ALA 27 HB2 ALA 27 -4.965 2.349 0.074 203 HB3 ALA 27 HB3 ALA 27 -6.671 2.772 -0.206 204 H GLU 28 H GLU 28 -4.488 3.236 -3.285 205 HA GLU 28 HA GLU 28 -1.702 2.965 -2.990 206 HB2 GLU 28 HB2 GLU 28 -3.205 1.885 -4.667 207 HB3 GLU 28 HB3 GLU 28 -3.472 3.430 -5.427 208 HG2 GLU 28 HG2 GLU 28 -0.818 3.367 -5.749 209 HG3 GLU 28 HG3 GLU 28 -1.071 1.627 -5.555 210 H LYS 29 H LYS 29 -3.479 5.532 -4.787 211 HA LYS 29 HA LYS 29 -1.213 7.044 -5.442 212 HB2 LYS 29 HB2 LYS 29 -4.133 7.804 -5.112 213 HB3 LYS 29 HB3 LYS 29 -2.912 8.950 -5.686 214 HG2 LYS 29 HG2 LYS 29 -2.473 7.760 -7.668 215 HG3 LYS 29 HG3 LYS 29 -3.161 6.258 -7.052 216 HD2 LYS 29 HD2 LYS 29 -4.609 7.241 -8.755 217 HD3 LYS 29 HD3 LYS 29 -5.415 7.125 -7.189 218 HE2 LYS 29 HE2 LYS 29 -4.804 9.553 -6.783 219 HE3 LYS 29 HE3 LYS 29 -4.263 9.633 -8.469 220 HZ1 LYS 29 HZ1 LYS 29 -6.984 8.828 -7.622 221 HZ2 LYS 29 HZ2 LYS 29 -6.600 10.347 -8.069 222 HZ3 LYS 29 HZ3 LYS 29 -6.525 9.145 -9.169 223 H VAL 30 H VAL 30 -3.372 7.475 -2.574 224 HA VAL 30 HA VAL 30 -1.877 9.711 -1.612 225 HB VAL 30 HB VAL 30 -3.847 7.865 -0.209 226 HG11 VAL 30 HG11 VAL 30 -2.485 9.001 1.480 227 HG12 VAL 30 HG12 VAL 30 -2.690 10.554 0.642 228 HG13 VAL 30 HG13 VAL 30 -4.084 9.741 1.417 229 HG21 VAL 30 HG21 VAL 30 -4.182 10.672 -1.398 230 HG22 VAL 30 HG22 VAL 30 -4.804 9.190 -2.131 231 HG23 VAL 30 HG23 VAL 30 -5.440 9.723 -0.574 232 H PHE 31 H PHE 31 -1.785 6.185 -0.552 233 HA PHE 31 HA PHE 31 0.301 6.786 1.306 234 HB2 PHE 31 HB2 PHE 31 -0.821 4.222 0.203 235 HB3 PHE 31 HB3 PHE 31 0.759 4.164 0.917 236 HD1 PHE 31 HD2 PHE 31 0.660 5.988 3.265 237 HD2 PHE 31 HD1 PHE 31 -2.200 3.119 1.767 238 HE1 PHE 31 HE2 PHE 31 -0.182 5.638 5.542 239 HE2 PHE 31 HE1 PHE 31 -2.912 2.652 4.096 240 HZ PHE 31 HZ PHE 31 -1.977 3.988 5.975 241 H LYS 32 H LYS 32 0.519 6.534 -2.157 242 HA LYS 32 HA LYS 32 3.102 5.486 -2.439 243 HB2 LYS 32 HB2 LYS 32 1.550 6.037 -4.272 244 HB3 LYS 32 HB3 LYS 32 1.870 7.765 -4.009 245 HG2 LYS 32 HG2 LYS 32 4.210 7.476 -4.619 246 HG3 LYS 32 HG3 LYS 32 4.032 5.707 -4.655 247 HD2 LYS 32 HD2 LYS 32 2.492 5.812 -6.496 248 HD3 LYS 32 HD3 LYS 32 2.398 7.584 -6.391 249 HE2 LYS 32 HE2 LYS 32 4.605 7.890 -7.167 250 HE3 LYS 32 HE3 LYS 32 5.018 6.177 -6.957 251 HZ1 LYS 32 HZ1 LYS 32 2.936 7.088 -8.834 252 HZ2 LYS 32 HZ2 LYS 32 4.528 6.829 -9.261 253 HZ3 LYS 32 HZ3 LYS 32 3.624 5.586 -8.707 254 H GLN 33 H GLN 33 2.119 8.676 -1.297 255 HA GLN 33 HA GLN 33 4.600 10.051 -1.444 256 HB2 GLN 33 HB2 GLN 33 2.363 10.127 0.646 257 HB3 GLN 33 HB3 GLN 33 3.666 11.301 0.556 258 HG2 GLN 33 HG2 GLN 33 2.874 12.125 -1.581 259 HG3 GLN 33 HG3 GLN 33 1.655 10.840 -1.690 260 HE21 GLN 33 HE22 GLN 33 0.011 10.744 0.091 261 HE22 GLN 33 HE21 GLN 33 -0.446 12.259 0.896 262 H TYR 34 H TYR 34 3.139 8.352 1.350 263 HA TYR 34 HA TYR 34 5.386 8.296 3.015 264 HB2 TYR 34 HB2 TYR 34 3.525 7.868 4.224 265 HB3 TYR 34 HB3 TYR 34 2.691 7.072 2.906 266 HD1 TYR 34 HD2 TYR 34 5.164 6.534 5.652 267 HD2 TYR 34 HD1 TYR 34 2.713 4.689 2.610 268 HE1 TYR 34 HE2 TYR 34 5.713 4.292 6.562 269 HE2 TYR 34 HE1 TYR 34 3.255 2.461 3.514 270 HH TYR 34 HH TYR 34 4.153 1.345 5.402 271 H ALA 35 H ALA 35 4.247 5.827 0.664 272 HA ALA 35 HA ALA 35 6.106 3.807 1.305 273 HB1 ALA 35 HB1 ALA 35 4.812 4.546 -1.358 274 HB2 ALA 35 HB2 ALA 35 5.685 3.042 -1.063 275 HB3 ALA 35 HB3 ALA 35 4.197 3.392 -0.153 276 H ASN 36 H ASN 36 6.333 6.361 -1.207 277 HA ASN 36 HA ASN 36 8.981 5.679 -2.054 278 HB2 ASN 36 HB2 ASN 36 7.247 7.129 -3.292 279 HB3 ASN 36 HB3 ASN 36 7.694 8.436 -2.196 280 HD21 ASN 36 HD22 ASN 36 8.720 6.457 -4.968 281 HD22 ASN 36 HD21 ASN 36 10.097 7.453 -5.330 282 H ASP 37 H ASP 37 7.727 8.022 0.343 283 HA ASP 37 HA ASP 37 10.169 9.231 1.087 284 HB2 ASP 37 HB2 ASP 37 7.942 10.139 1.543 285 HB3 ASP 37 HB3 ASP 37 7.598 8.790 2.641 286 H ASN 38 H ASN 38 8.648 6.214 2.127 287 HA ASN 38 HA ASN 38 10.475 5.777 4.357 288 HB2 ASN 38 HB2 ASN 38 8.025 4.911 4.020 289 HB3 ASN 38 HB3 ASN 38 8.766 3.650 3.032 290 HD21 ASN 38 HD22 ASN 38 7.292 2.781 5.146 291 HD22 ASN 38 HD21 ASN 38 8.314 2.372 6.503 292 H GLY 39 H GLY 39 10.584 5.282 0.914 293 HA2 GLY 39 HA2 GLY 39 12.655 4.853 -0.168 294 HA3 GLY 39 HA3 GLY 39 13.172 3.838 1.163 295 H VAL 40 H VAL 40 9.881 3.328 -0.166 296 HA VAL 40 HA VAL 40 10.927 0.899 -1.542 297 HB VAL 40 HB VAL 40 8.294 1.113 -0.083 298 HG11 VAL 40 HG11 VAL 40 9.790 -1.251 -1.295 299 HG12 VAL 40 HG12 VAL 40 8.296 -1.376 -0.350 300 HG13 VAL 40 HG13 VAL 40 8.284 -0.541 -1.901 301 HG21 VAL 40 HG21 VAL 40 10.948 -0.060 0.834 302 HG22 VAL 40 HG22 VAL 40 9.975 1.183 1.635 303 HG23 VAL 40 HG23 VAL 40 9.400 -0.487 1.579 304 H ASP 41 H ASP 41 10.358 0.623 -3.597 305 HA ASP 41 HA ASP 41 8.010 1.957 -4.733 306 HB2 ASP 41 HB2 ASP 41 9.899 3.659 -4.783 307 HB3 ASP 41 HB3 ASP 41 10.796 2.565 -5.832 308 H GLY 42 H GLY 42 7.193 -0.045 -5.300 309 HA2 GLY 42 HA2 GLY 42 8.665 -1.620 -7.277 310 HA3 GLY 42 HA3 GLY 42 8.269 -2.414 -5.740 311 H GLU 43 H GLU 43 7.021 -3.901 -6.961 312 HA GLU 43 HA GLU 43 4.826 -3.167 -8.593 313 HB2 GLU 43 HB2 GLU 43 6.272 -5.190 -8.711 314 HB3 GLU 43 HB3 GLU 43 5.515 -5.810 -7.239 315 HG2 GLU 43 HG2 GLU 43 3.378 -5.976 -8.335 316 HG3 GLU 43 HG3 GLU 43 3.946 -5.032 -9.722 317 H TRP 44 H TRP 44 3.106 -2.096 -7.774 318 HA TRP 44 HA TRP 44 2.054 -2.519 -5.068 319 HB2 TRP 44 HB2 TRP 44 1.213 -0.749 -7.418 320 HB3 TRP 44 HB3 TRP 44 0.403 -0.775 -5.873 321 HD1 TRP 44 HD1 TRP 44 3.805 0.251 -7.370 322 HE1 TRP 44 HE1 TRP 44 4.798 2.127 -5.957 323 HE3 TRP 44 HE3 TRP 44 0.158 0.577 -3.822 324 HZ2 TRP 44 HZ2 TRP 44 4.179 3.482 -3.481 325 HZ3 TRP 44 HZ3 TRP 44 0.324 2.251 -2.003 326 HH2 TRP 44 HH2 TRP 44 2.342 3.627 -1.751 327 H THR 45 H THR 45 0.889 -4.549 -4.904 328 HA THR 45 HA THR 45 -1.223 -4.965 -6.990 329 HB THR 45 HB THR 45 -0.088 -7.195 -5.333 330 HG1 THR 45 HG1 THR 45 0.966 -6.150 -7.742 331 HG21 THR 45 HG21 THR 45 -2.172 -7.607 -6.612 332 HG22 THR 45 HG22 THR 45 -1.345 -7.116 -8.108 333 HG23 THR 45 HG23 THR 45 -0.832 -8.570 -7.240 334 H TYR 46 H TYR 46 -3.273 -4.882 -6.295 335 HA TYR 46 HA TYR 46 -3.848 -4.752 -3.418 336 HB2 TYR 46 HB2 TYR 46 -5.972 -3.868 -4.084 337 HB3 TYR 46 HB3 TYR 46 -4.702 -3.000 -4.908 338 HD1 TYR 46 HD1 TYR 46 -4.314 -3.299 -7.398 339 HD2 TYR 46 HD2 TYR 46 -7.599 -5.191 -5.305 340 HE1 TYR 46 HE1 TYR 46 -5.468 -3.685 -9.547 341 HE2 TYR 46 HE2 TYR 46 -8.756 -5.537 -7.434 342 HH TYR 46 HH TYR 46 -7.421 -4.857 -10.616 343 H ASP 47 H ASP 47 -5.369 -6.087 -2.416 344 HA ASP 47 HA ASP 47 -6.346 -8.514 -3.820 345 HB2 ASP 47 HB2 ASP 47 -4.353 -9.215 -2.687 346 HB3 ASP 47 HB3 ASP 47 -4.778 -8.332 -1.227 347 H ASP 48 H ASP 48 -8.395 -7.638 -3.902 348 HA ASP 48 HA ASP 48 -9.623 -6.256 -1.686 349 HB2 ASP 48 HB2 ASP 48 -11.538 -6.063 -2.952 350 HB3 ASP 48 HB3 ASP 48 -10.288 -6.082 -4.175 351 H ALA 49 H ALA 49 -9.177 -9.668 -2.353 352 HA ALA 49 HA ALA 49 -11.487 -10.570 -0.874 353 HB1 ALA 49 HB1 ALA 49 -8.923 -12.073 -1.551 354 HB2 ALA 49 HB2 ALA 49 -10.459 -12.777 -1.011 355 HB3 ALA 49 HB3 ALA 49 -10.356 -11.967 -2.583 356 H THR 50 H THR 50 -7.982 -10.221 -0.101 357 HA THR 50 HA THR 50 -8.572 -10.782 2.755 358 HB THR 50 HB THR 50 -5.928 -10.047 1.515 359 HG1 THR 50 HG1 THR 50 -5.989 -11.708 0.472 360 HG21 THR 50 HG21 THR 50 -4.999 -11.460 3.328 361 HG22 THR 50 HG22 THR 50 -5.867 -10.058 3.944 362 HG23 THR 50 HG23 THR 50 -6.640 -11.655 3.995 363 H LYS 51 H LYS 51 -8.433 -8.064 0.677 364 HA LYS 51 HA LYS 51 -8.576 -5.856 0.911 365 HB2 LYS 51 HB2 LYS 51 -9.517 -6.515 3.723 366 HB3 LYS 51 HB3 LYS 51 -9.386 -4.873 3.084 367 HG2 LYS 51 HG2 LYS 51 -10.889 -5.535 1.207 368 HG3 LYS 51 HG3 LYS 51 -11.112 -7.127 1.978 369 HD2 LYS 51 HD2 LYS 51 -12.006 -6.052 3.999 370 HD3 LYS 51 HD3 LYS 51 -11.613 -4.459 3.349 371 HE2 LYS 51 HE2 LYS 51 -13.950 -4.782 3.151 372 HE3 LYS 51 HE3 LYS 51 -13.245 -4.738 1.530 373 HZ1 LYS 51 HZ1 LYS 51 -13.506 -7.099 1.372 374 HZ2 LYS 51 HZ2 LYS 51 -13.966 -7.229 2.960 375 HZ3 LYS 51 HZ3 LYS 51 -14.927 -6.471 1.881 376 H THR 52 H THR 52 -6.228 -6.697 0.636 377 HA THR 52 HA THR 52 -4.480 -5.078 2.388 378 HB THR 52 HB THR 52 -2.796 -7.017 1.690 379 HG1 THR 52 HG1 THR 52 -3.712 -8.810 1.018 380 HG21 THR 52 HG21 THR 52 -3.283 -6.641 4.025 381 HG22 THR 52 HG22 THR 52 -4.924 -7.323 3.864 382 HG23 THR 52 HG23 THR 52 -3.502 -8.367 3.711 383 H PHE 53 H PHE 53 -2.605 -4.259 1.220 384 HA PHE 53 HA PHE 53 -2.676 -4.423 -1.696 385 HB2 PHE 53 HB2 PHE 53 -4.163 -2.455 -0.724 386 HB3 PHE 53 HB3 PHE 53 -2.627 -1.665 -0.439 387 HD1 PHE 53 HD2 PHE 53 -1.342 -2.948 -3.150 388 HD2 PHE 53 HD1 PHE 53 -4.935 -0.729 -2.199 389 HE1 PHE 53 HE2 PHE 53 -1.405 -2.043 -5.431 390 HE2 PHE 53 HE1 PHE 53 -4.907 0.215 -4.498 391 HZ PHE 53 HZ PHE 53 -3.160 -0.425 -6.102 392 H THR 54 H THR 54 -0.694 -5.356 -1.780 393 HA THR 54 HA THR 54 1.390 -4.382 0.051 394 HB THR 54 HB THR 54 1.271 -6.958 -1.506 395 HG1 THR 54 HG1 THR 54 0.465 -7.860 0.278 396 HG21 THR 54 HG21 THR 54 3.552 -6.403 -0.783 397 HG22 THR 54 HG22 THR 54 2.981 -6.057 0.852 398 HG23 THR 54 HG23 THR 54 2.923 -7.714 0.219 399 H VAL 55 H VAL 55 3.300 -3.607 -0.610 400 HA VAL 55 HA VAL 55 3.756 -3.205 -3.534 401 HB VAL 55 HB VAL 55 5.075 -1.685 -1.240 402 HG11 VAL 55 HG11 VAL 55 6.296 -1.717 -3.401 403 HG12 VAL 55 HG12 VAL 55 4.849 -1.106 -4.232 404 HG13 VAL 55 HG13 VAL 55 5.682 -0.098 -3.029 405 HG21 VAL 55 HG21 VAL 55 2.626 -0.929 -2.854 406 HG22 VAL 55 HG22 VAL 55 2.756 -1.107 -1.074 407 HG23 VAL 55 HG23 VAL 55 3.578 0.225 -1.892 408 H THR 56 H THR 56 4.782 -5.152 -4.009 409 HA THR 56 HA THR 56 6.814 -6.189 -2.092 410 HB THR 56 HB THR 56 5.758 -7.676 -4.507 411 HG1 THR 56 HG1 THR 56 4.017 -7.263 -3.444 412 HG21 THR 56 HG21 THR 56 6.939 -8.587 -1.843 413 HG22 THR 56 HG22 THR 56 6.368 -9.648 -3.155 414 HG23 THR 56 HG23 THR 56 7.771 -8.603 -3.416 415 H GLU 57 H GLU 57 8.486 -4.713 -2.532 416 HA GLU 57 HA GLU 57 9.248 -4.277 -5.306 417 HB2 GLU 57 HB2 GLU 57 9.421 -2.539 -3.437 418 HB3 GLU 57 HB3 GLU 57 10.764 -3.512 -2.784 419 HG2 GLU 57 HG2 GLU 57 11.813 -3.386 -5.096 420 HG3 GLU 57 HG3 GLU 57 10.553 -2.270 -5.552
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