NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570263 | 2m8e | 19249 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 77.988 -6.370 -12.793 2 H2 ALA 1 HT2 ALA 1 77.912 -7.954 -13.367 3 H3 ALA 1 HT3 ALA 1 78.124 -7.668 -11.716 4 HA ALA 1 HA ALA 1 75.875 -8.337 -12.170 5 HB1 ALA 1 HB1 ALA 1 76.053 -5.401 -11.493 6 HB2 ALA 1 HB2 ALA 1 76.313 -6.723 -10.357 7 HB3 ALA 1 HB3 ALA 1 74.727 -6.491 -11.092 8 H SER 2 HN SER 2 73.726 -6.936 -12.814 9 HA SER 2 HA SER 2 74.161 -6.081 -15.587 10 HB2 SER 2 HB2 SER 2 71.806 -7.651 -14.512 11 HB3 SER 2 HB1 SER 2 72.026 -7.118 -16.179 12 HG SER 2 HG SER 2 74.145 -8.381 -15.875 13 H MET 3 HN MET 3 72.230 -4.827 -16.399 14 HA MET 3 HA MET 3 71.448 -2.894 -14.355 15 HB2 MET 3 HB2 MET 3 71.006 -1.361 -16.210 16 HB3 MET 3 HB1 MET 3 72.651 -1.967 -16.280 17 HG2 MET 3 HG2 MET 3 70.370 -3.032 -17.937 18 HG3 MET 3 HG1 MET 3 71.514 -1.811 -18.485 19 HE1 MET 3 HE1 MET 3 74.102 -2.276 -18.874 20 HE2 MET 3 HE2 MET 3 74.880 -3.828 -18.561 21 HE3 MET 3 HE3 MET 3 74.263 -2.865 -17.219 22 H GLY 4 HN GLY 4 69.250 -1.777 -15.198 23 HA2 GLY 4 HA2 GLY 4 67.133 -2.446 -16.314 24 HA3 GLY 4 HA1 GLY 4 67.355 -4.007 -15.535 25 H LYS 5 HN LYS 5 66.356 -0.746 -15.166 26 HA LYS 5 HA LYS 5 65.542 -1.321 -12.400 27 HB2 LYS 5 HB2 LYS 5 67.226 0.504 -12.650 28 HB3 LYS 5 HB1 LYS 5 66.074 1.380 -13.645 29 HG2 LYS 5 HG2 LYS 5 64.522 1.459 -11.749 30 HG3 LYS 5 HG1 LYS 5 65.718 0.632 -10.752 31 HD2 LYS 5 HD2 LYS 5 67.303 2.523 -11.351 32 HD3 LYS 5 HD1 LYS 5 65.894 3.367 -11.990 33 HE2 LYS 5 HE2 LYS 5 66.332 4.083 -9.719 34 HE3 LYS 5 HE1 LYS 5 64.811 3.193 -9.792 35 HZ1 LYS 5 HZ1 LYS 5 66.196 2.560 -7.890 36 HZ2 LYS 5 HZ2 LYS 5 67.406 2.025 -8.945 37 HZ3 LYS 5 HZ3 LYS 5 65.903 1.259 -8.924 38 H SER 6 HN SER 6 63.437 -1.732 -12.327 39 HA SER 6 HA SER 6 61.610 0.070 -13.668 40 HB2 SER 6 HB2 SER 6 61.550 -2.924 -14.116 41 HB3 SER 6 HB1 SER 6 60.281 -1.803 -14.611 42 HG SER 6 HG SER 6 62.740 -0.999 -15.449 43 H LYS 7 HN LYS 7 59.380 -0.271 -12.934 44 HA LYS 7 HA LYS 7 59.261 -1.453 -10.248 45 HB2 LYS 7 HB2 LYS 7 57.739 0.425 -9.634 46 HB3 LYS 7 HB1 LYS 7 59.380 0.948 -9.993 47 HG2 LYS 7 HG2 LYS 7 58.596 1.546 -12.295 48 HG3 LYS 7 HG1 LYS 7 56.951 1.207 -11.753 49 HD2 LYS 7 HD2 LYS 7 58.809 3.237 -10.513 50 HD3 LYS 7 HD1 LYS 7 57.523 3.609 -11.659 51 HE2 LYS 7 HE2 LYS 7 55.870 2.724 -10.090 52 HE3 LYS 7 HE1 LYS 7 57.155 2.338 -8.949 53 HZ1 LYS 7 HZ1 LYS 7 56.049 4.420 -8.406 54 HZ2 LYS 7 HZ2 LYS 7 56.475 5.067 -9.906 55 HZ3 LYS 7 HZ3 LYS 7 57.677 4.679 -8.778 56 H GLU 8 HN GLU 8 56.866 -1.724 -9.590 57 HA GLU 8 HA GLU 8 55.296 -2.479 -11.957 58 HB2 GLU 8 HB2 GLU 8 56.315 -4.460 -10.830 59 HB3 GLU 8 HB1 GLU 8 55.426 -4.039 -9.374 60 HG2 GLU 8 HG2 GLU 8 53.327 -4.410 -10.493 61 HG3 GLU 8 HG1 GLU 8 54.155 -4.684 -12.024 62 H ILE 9 HN ILE 9 54.937 -2.218 -8.427 63 HA ILE 9 HA ILE 9 52.500 -0.624 -8.882 64 HB ILE 9 HB ILE 9 52.946 -2.525 -6.557 65 HG12 ILE 9 HG12 ILE 9 51.219 -2.951 -9.009 66 HG13 ILE 9 HG11 ILE 9 52.748 -3.762 -8.693 67 HG21 ILE 9 HG21 ILE 9 51.431 -0.667 -6.080 68 HG22 ILE 9 HG22 ILE 9 50.556 -2.197 -6.133 69 HG23 ILE 9 HG23 ILE 9 50.465 -1.083 -7.496 70 HD11 ILE 9 HD11 ILE 9 50.249 -3.998 -7.032 71 HD12 ILE 9 HD12 ILE 9 51.780 -4.814 -6.713 72 HD13 ILE 9 HD13 ILE 9 50.863 -5.198 -8.170 73 H SER 10 HN SER 10 52.169 1.095 -7.411 74 HA SER 10 HA SER 10 54.469 2.344 -6.380 75 HB2 SER 10 HB2 SER 10 52.474 3.625 -7.016 76 HB3 SER 10 HB1 SER 10 51.548 2.845 -5.737 77 HG SER 10 HG SER 10 53.064 5.025 -5.587 78 H GLN 11 HN GLN 11 55.624 1.412 -4.804 79 HA GLN 11 HA GLN 11 54.563 -0.285 -2.819 80 HB2 GLN 11 HB2 GLN 11 56.957 -0.228 -3.596 81 HB3 GLN 11 HB1 GLN 11 57.163 1.252 -2.671 82 HG2 GLN 11 HG2 GLN 11 56.623 0.053 -0.615 83 HG3 GLN 11 HG1 GLN 11 56.388 -1.430 -1.537 84 HE21 GLN 11 HE21 GLN 11 58.645 -0.812 -3.318 85 HE22 GLN 11 HE22 GLN 11 60.072 -1.124 -2.398 86 H ASP 12 HN ASP 12 55.160 3.150 -2.974 87 HA ASP 12 HA ASP 12 54.857 3.802 -0.261 88 HB2 ASP 12 HB2 ASP 12 55.703 5.429 -1.857 89 HB3 ASP 12 HB1 ASP 12 54.174 5.419 -2.725 90 H LEU 13 HN LEU 13 52.496 3.774 -2.907 91 HA LEU 13 HA LEU 13 50.263 4.526 -1.422 92 HB2 LEU 13 HB2 LEU 13 50.315 4.479 -3.867 93 HB3 LEU 13 HB1 LEU 13 50.408 2.731 -3.841 94 HG LEU 13 HG LEU 13 48.154 2.641 -2.828 95 HD11 LEU 13 HD11 LEU 13 48.130 4.793 -1.710 96 HD12 LEU 13 HD12 LEU 13 46.766 4.661 -2.820 97 HD13 LEU 13 HD13 LEU 13 48.175 5.622 -3.265 98 HD21 LEU 13 HD21 LEU 13 48.422 2.440 -5.240 99 HD22 LEU 13 HD22 LEU 13 48.334 4.194 -5.408 100 HD23 LEU 13 HD23 LEU 13 46.927 3.291 -4.844 101 H ARG 14 HN ARG 14 51.634 1.327 -2.020 102 HA ARG 14 HA ARG 14 49.545 -0.173 -0.873 103 HB2 ARG 14 HB2 ARG 14 52.473 -0.895 -1.082 104 HB3 ARG 14 HB1 ARG 14 51.163 -2.021 -0.756 105 HG2 ARG 14 HG2 ARG 14 50.202 -1.551 -2.946 106 HG3 ARG 14 HG1 ARG 14 51.499 -0.402 -3.272 107 HD2 ARG 14 HD2 ARG 14 52.105 -2.410 -4.363 108 HD3 ARG 14 HD1 ARG 14 53.112 -2.308 -2.921 109 HE ARG 14 HE ARG 14 50.816 -3.785 -2.296 110 HH11 ARG 14 HH11 ARG 14 53.706 -4.060 -4.267 111 HH12 ARG 14 HH12 ARG 14 53.737 -5.785 -4.213 112 HH21 ARG 14 HH21 ARG 14 50.846 -6.080 -2.231 113 HH22 ARG 14 HH22 ARG 14 52.107 -6.941 -3.051 114 H LYS 15 HN LYS 15 52.537 1.099 0.552 115 HA LYS 15 HA LYS 15 52.022 -0.030 3.131 116 HB2 LYS 15 HB2 LYS 15 53.832 2.284 2.403 117 HB3 LYS 15 HB1 LYS 15 53.874 1.371 3.902 118 HG2 LYS 15 HG2 LYS 15 54.513 0.308 1.153 119 HG3 LYS 15 HG1 LYS 15 55.678 0.709 2.414 120 HD2 LYS 15 HD2 LYS 15 53.535 -1.410 2.640 121 HD3 LYS 15 HD1 LYS 15 55.226 -1.717 2.251 122 HE2 LYS 15 HE2 LYS 15 55.888 -0.760 4.411 123 HE3 LYS 15 HE1 LYS 15 54.191 -0.473 4.798 124 HZ1 LYS 15 HZ1 LYS 15 55.456 -3.116 4.336 125 HZ2 LYS 15 HZ2 LYS 15 53.817 -2.864 4.649 126 HZ3 LYS 15 HZ3 LYS 15 54.966 -2.493 5.826 127 H LYS 16 HN LYS 16 51.521 3.086 1.620 128 HA LYS 16 HA LYS 16 50.730 4.541 3.873 129 HB2 LYS 16 HB2 LYS 16 51.445 5.519 1.740 130 HB3 LYS 16 HB1 LYS 16 49.980 4.923 0.983 131 HG2 LYS 16 HG2 LYS 16 48.632 6.453 2.142 132 HG3 LYS 16 HG1 LYS 16 49.916 6.832 3.296 133 HD2 LYS 16 HD2 LYS 16 49.636 8.621 1.638 134 HD3 LYS 16 HD1 LYS 16 51.226 7.869 1.525 135 HE2 LYS 16 HE2 LYS 16 50.190 6.398 -0.304 136 HE3 LYS 16 HE1 LYS 16 48.869 7.565 -0.315 137 HZ1 LYS 16 HZ1 LYS 16 50.615 9.301 -0.706 138 HZ2 LYS 16 HZ2 LYS 16 50.396 8.205 -1.971 139 HZ3 LYS 16 HZ3 LYS 16 51.726 8.037 -0.944 140 H ILE 17 HN ILE 17 48.722 2.874 1.417 141 HA ILE 17 HA ILE 17 46.265 3.639 2.524 142 HB ILE 17 HB ILE 17 46.454 2.682 0.248 143 HG12 ILE 17 HG12 ILE 17 44.439 1.214 0.336 144 HG13 ILE 17 HG11 ILE 17 44.578 1.191 2.090 145 HG21 ILE 17 HG21 ILE 17 46.606 0.261 -0.084 146 HG22 ILE 17 HG22 ILE 17 46.886 0.050 1.645 147 HG23 ILE 17 HG23 ILE 17 48.062 0.920 0.662 148 HD11 ILE 17 HD11 ILE 17 42.894 2.772 1.332 149 HD12 ILE 17 HD12 ILE 17 44.115 3.636 0.398 150 HD13 ILE 17 HD13 ILE 17 44.215 3.594 2.157 151 H VAL 18 HN VAL 18 48.343 0.894 3.244 152 HA VAL 18 HA VAL 18 46.529 -0.417 4.988 153 HB VAL 18 HB VAL 18 49.535 -0.611 4.711 154 HG11 VAL 18 HG11 VAL 18 47.695 -2.326 6.377 155 HG12 VAL 18 HG12 VAL 18 48.915 -1.211 6.990 156 HG13 VAL 18 HG13 VAL 18 49.405 -2.640 6.079 157 HG21 VAL 18 HG21 VAL 18 48.280 -1.423 2.794 158 HG22 VAL 18 HG22 VAL 18 47.290 -2.433 3.848 159 HG23 VAL 18 HG23 VAL 18 49.011 -2.774 3.662 160 H ASP 19 HN ASP 19 49.292 1.738 5.545 161 HA ASP 19 HA ASP 19 49.191 1.709 8.348 162 HB2 ASP 19 HB2 ASP 19 51.131 2.505 7.053 163 HB3 ASP 19 HB1 ASP 19 50.202 3.909 6.538 164 H LEU 20 HN LEU 20 47.608 3.809 5.991 165 HA LEU 20 HA LEU 20 46.494 5.551 7.941 166 HB2 LEU 20 HB2 LEU 20 46.094 5.126 5.030 167 HB3 LEU 20 HB1 LEU 20 44.831 5.968 5.904 168 HG LEU 20 HG LEU 20 46.362 7.546 4.851 169 HD11 LEU 20 HD11 LEU 20 45.293 8.184 6.936 170 HD12 LEU 20 HD12 LEU 20 46.887 8.918 6.773 171 HD13 LEU 20 HD13 LEU 20 46.660 7.537 7.844 172 HD21 LEU 20 HD21 LEU 20 48.378 6.174 4.828 173 HD22 LEU 20 HD22 LEU 20 48.496 6.311 6.583 174 HD23 LEU 20 HD23 LEU 20 48.683 7.744 5.572 175 H HIS 21 HN HIS 21 45.525 2.458 6.704 176 HA HIS 21 HA HIS 21 42.798 2.607 7.500 177 HB2 HIS 21 HB2 HIS 21 44.643 0.316 6.907 178 HB3 HIS 21 HB1 HIS 21 43.073 0.010 7.634 179 HD1 HIS 21 HD1 HIS 21 41.417 2.070 5.995 180 HD2 HIS 21 HD2 HIS 21 44.166 -0.601 4.392 181 HE1 HIS 21 HE1 HIS 21 40.752 1.785 3.596 182 H LYS 22 HN LYS 22 45.759 1.995 9.151 183 HA LYS 22 HA LYS 22 44.524 0.945 11.524 184 HB2 LYS 22 HB2 LYS 22 47.307 2.071 11.226 185 HB3 LYS 22 HB1 LYS 22 46.737 0.965 12.466 186 HG2 LYS 22 HG2 LYS 22 46.994 0.337 9.531 187 HG3 LYS 22 HG1 LYS 22 48.122 -0.151 10.794 188 HD2 LYS 22 HD2 LYS 22 45.207 -0.928 10.734 189 HD3 LYS 22 HD1 LYS 22 46.510 -1.929 10.096 190 HE2 LYS 22 HE2 LYS 22 47.557 -1.882 12.360 191 HE3 LYS 22 HE1 LYS 22 46.120 -1.049 12.952 192 HZ1 LYS 22 HZ1 LYS 22 45.981 -3.414 13.369 193 HZ2 LYS 22 HZ2 LYS 22 46.182 -3.751 11.722 194 HZ3 LYS 22 HZ3 LYS 22 44.794 -2.951 12.261 195 H SER 23 HN SER 23 45.210 4.019 10.198 196 HA SER 23 HA SER 23 45.056 5.466 12.684 197 HB2 SER 23 HB2 SER 23 44.881 6.501 9.840 198 HB3 SER 23 HB1 SER 23 45.210 7.453 11.287 199 HG SER 23 HG SER 23 46.985 5.554 11.316 200 H GLY 24 HN GLY 24 42.980 4.959 9.833 201 HA2 GLY 24 HA2 GLY 24 40.677 4.706 9.790 202 HA3 GLY 24 HA1 GLY 24 40.632 5.042 11.510 203 H SER 25 HN SER 25 41.335 7.476 11.950 204 HA SER 25 HA SER 25 39.212 8.992 10.784 205 HB2 SER 25 HB2 SER 25 41.383 9.906 12.676 206 HB3 SER 25 HB1 SER 25 39.869 10.746 12.340 207 HG SER 25 HG SER 25 40.092 9.232 14.277 208 H SER 26 HN SER 26 42.254 8.402 9.637 209 HA SER 26 HA SER 26 42.351 10.984 8.227 210 HB2 SER 26 HB2 SER 26 44.632 9.058 8.719 211 HB3 SER 26 HB1 SER 26 44.748 10.655 7.978 212 HG SER 26 HG SER 26 44.643 11.560 9.881 213 H LEU 27 HN LEU 27 41.129 8.111 7.764 214 HA LEU 27 HA LEU 27 42.349 7.178 5.369 215 HB2 LEU 27 HB2 LEU 27 41.012 5.771 6.958 216 HB3 LEU 27 HB1 LEU 27 39.572 6.610 6.434 217 HG LEU 27 HG LEU 27 40.017 4.276 5.479 218 HD11 LEU 27 HD11 LEU 27 38.301 5.718 4.579 219 HD12 LEU 27 HD12 LEU 27 39.127 4.859 3.279 220 HD13 LEU 27 HD13 LEU 27 39.495 6.556 3.587 221 HD21 LEU 27 HD21 LEU 27 42.385 4.598 4.966 222 HD22 LEU 27 HD22 LEU 27 41.964 5.831 3.777 223 HD23 LEU 27 HD23 LEU 27 41.468 4.158 3.527 224 H GLY 28 HN GLY 28 39.568 9.223 6.109 225 HA2 GLY 28 HA2 GLY 28 38.605 9.483 3.469 226 HA3 GLY 28 HA1 GLY 28 38.293 10.595 4.795 227 H ALA 29 HN ALA 29 41.262 10.961 5.112 228 HA ALA 29 HA ALA 29 41.523 13.267 3.499 229 HB1 ALA 29 HB1 ALA 29 43.645 11.799 5.063 230 HB2 ALA 29 HB2 ALA 29 42.593 13.067 5.691 231 HB3 ALA 29 HB3 ALA 29 43.772 13.440 4.433 232 H ILE 30 HN ILE 30 43.310 10.163 3.413 233 HA ILE 30 HA ILE 30 44.652 10.847 0.998 234 HB ILE 30 HB ILE 30 45.321 8.478 0.850 235 HG12 ILE 30 HG12 ILE 30 43.719 8.061 3.382 236 HG13 ILE 30 HG11 ILE 30 43.171 7.560 1.786 237 HG21 ILE 30 HG21 ILE 30 46.634 8.407 2.911 238 HG22 ILE 30 HG22 ILE 30 45.610 9.662 3.607 239 HG23 ILE 30 HG23 ILE 30 46.620 10.024 2.206 240 HD11 ILE 30 HD11 ILE 30 45.066 6.060 1.590 241 HD12 ILE 30 HD12 ILE 30 44.139 5.713 3.050 242 HD13 ILE 30 HD13 ILE 30 45.665 6.589 3.161 243 H SER 31 HN SER 31 41.625 9.277 1.712 244 HA SER 31 HA SER 31 41.190 8.305 -0.940 245 HB2 SER 31 HB2 SER 31 39.171 8.778 1.262 246 HB3 SER 31 HB1 SER 31 38.962 7.750 -0.158 247 HG SER 31 HG SER 31 40.461 7.332 2.158 248 H LYS 32 HN LYS 32 41.066 11.347 0.467 249 HA LYS 32 HA LYS 32 39.028 12.424 -1.283 250 HB2 LYS 32 HB2 LYS 32 39.511 13.257 1.065 251 HB3 LYS 32 HB1 LYS 32 41.008 13.924 0.438 252 HG2 LYS 32 HG2 LYS 32 39.460 15.701 0.505 253 HG3 LYS 32 HG1 LYS 32 39.615 15.241 -1.190 254 HD2 LYS 32 HD2 LYS 32 37.311 15.508 -0.888 255 HD3 LYS 32 HD1 LYS 32 37.549 13.768 -0.781 256 HE2 LYS 32 HE2 LYS 32 37.324 15.636 1.588 257 HE3 LYS 32 HE1 LYS 32 36.005 14.668 0.945 258 HZ1 LYS 32 HZ1 LYS 32 38.477 13.712 2.275 259 HZ2 LYS 32 HZ2 LYS 32 37.452 12.680 1.416 260 HZ3 LYS 32 HZ3 LYS 32 36.879 13.497 2.775 261 H ARG 33 HN ARG 33 42.516 12.518 -0.866 262 HA ARG 33 HA ARG 33 42.966 14.210 -3.124 263 HB2 ARG 33 HB2 ARG 33 44.902 12.526 -1.532 264 HB3 ARG 33 HB1 ARG 33 45.351 13.735 -2.724 265 HG2 ARG 33 HG2 ARG 33 44.304 15.470 -1.346 266 HG3 ARG 33 HG1 ARG 33 43.883 14.248 -0.145 267 HD2 ARG 33 HD2 ARG 33 45.904 15.428 0.518 268 HD3 ARG 33 HD1 ARG 33 46.262 13.740 0.160 269 HE ARG 33 HE ARG 33 46.678 15.678 -1.980 270 HH11 ARG 33 HH11 ARG 33 48.099 13.665 0.526 271 HH12 ARG 33 HH12 ARG 33 49.698 13.761 -0.122 272 HH21 ARG 33 HH21 ARG 33 48.810 15.815 -2.833 273 HH22 ARG 33 HH22 ARG 33 50.110 14.992 -2.033 274 H LEU 34 HN LEU 34 43.657 10.748 -2.495 275 HA LEU 34 HA LEU 34 44.322 10.420 -5.322 276 HB2 LEU 34 HB2 LEU 34 44.573 8.455 -3.053 277 HB3 LEU 34 HB1 LEU 34 45.200 8.249 -4.675 278 HG LEU 34 HG LEU 34 46.131 10.297 -2.665 279 HD11 LEU 34 HD11 LEU 34 47.456 7.814 -3.733 280 HD12 LEU 34 HD12 LEU 34 46.818 8.038 -2.105 281 HD13 LEU 34 HD13 LEU 34 48.194 8.994 -2.651 282 HD21 LEU 34 HD21 LEU 34 46.293 11.169 -4.930 283 HD22 LEU 34 HD22 LEU 34 47.117 9.701 -5.454 284 HD23 LEU 34 HD23 LEU 34 47.895 10.786 -4.302 285 H LYS 35 HN LYS 35 41.679 10.018 -3.295 286 HA LYS 35 HA LYS 35 39.883 8.615 -3.218 287 HB2 LYS 35 HB2 LYS 35 38.406 8.868 -5.201 288 HB3 LYS 35 HB1 LYS 35 39.055 10.381 -4.609 289 HG2 LYS 35 HG2 LYS 35 40.327 8.948 -6.919 290 HG3 LYS 35 HG1 LYS 35 38.915 9.975 -7.150 291 HD2 LYS 35 HD2 LYS 35 41.530 10.850 -5.917 292 HD3 LYS 35 HD1 LYS 35 41.040 11.150 -7.583 293 HE2 LYS 35 HE2 LYS 35 39.083 12.411 -6.735 294 HE3 LYS 35 HE1 LYS 35 39.672 12.166 -5.093 295 HZ1 LYS 35 HZ1 LYS 35 40.340 14.306 -5.846 296 HZ2 LYS 35 HZ2 LYS 35 41.015 13.678 -7.258 297 HZ3 LYS 35 HZ3 LYS 35 41.726 13.339 -5.760 298 H VAL 36 HN VAL 36 41.257 6.761 -2.908 299 HA VAL 36 HA VAL 36 41.860 4.935 -4.961 300 HB VAL 36 HB VAL 36 41.379 4.340 -2.029 301 HG11 VAL 36 HG11 VAL 36 41.408 2.329 -3.399 302 HG12 VAL 36 HG12 VAL 36 42.849 2.416 -2.386 303 HG13 VAL 36 HG13 VAL 36 42.951 2.814 -4.102 304 HG21 VAL 36 HG21 VAL 36 43.811 4.595 -1.769 305 HG22 VAL 36 HG22 VAL 36 43.043 6.095 -2.287 306 HG23 VAL 36 HG23 VAL 36 43.928 5.109 -3.452 307 HA PRO 37 HA PRO 37 37.704 3.453 -5.782 308 HB2 PRO 37 HB2 PRO 37 38.468 1.320 -7.332 309 HB3 PRO 37 HB1 PRO 37 38.326 2.975 -7.932 310 HG2 PRO 37 HG2 PRO 37 40.757 1.460 -7.093 311 HG3 PRO 37 HG1 PRO 37 40.547 2.590 -8.443 312 HD2 PRO 37 HD2 PRO 37 41.775 3.288 -6.143 313 HD3 PRO 37 HD1 PRO 37 40.823 4.441 -7.100 314 H ARG 38 HN ARG 38 36.395 1.665 -5.262 315 HA ARG 38 HA ARG 38 36.954 0.433 -2.834 316 HB2 ARG 38 HB2 ARG 38 34.681 0.740 -3.624 317 HB3 ARG 38 HB1 ARG 38 34.961 -0.386 -4.945 318 HG2 ARG 38 HG2 ARG 38 35.327 -2.184 -3.303 319 HG3 ARG 38 HG1 ARG 38 34.961 -1.045 -2.008 320 HD2 ARG 38 HD2 ARG 38 33.104 -1.860 -4.234 321 HD3 ARG 38 HD1 ARG 38 33.027 -2.422 -2.565 322 HE ARG 38 HE ARG 38 32.913 0.419 -2.731 323 HH11 ARG 38 HH11 ARG 38 31.006 -2.491 -3.088 324 HH12 ARG 38 HH12 ARG 38 29.498 -1.701 -2.784 325 HH21 ARG 38 HH21 ARG 38 30.936 1.478 -2.325 326 HH22 ARG 38 HH22 ARG 38 29.455 0.583 -2.334 327 H SER 39 HN SER 39 37.223 -0.849 -6.119 328 HA SER 39 HA SER 39 37.785 -3.480 -5.411 329 HB2 SER 39 HB2 SER 39 37.203 -2.723 -7.711 330 HB3 SER 39 HB1 SER 39 38.810 -2.014 -7.850 331 HG SER 39 HG SER 39 39.327 -3.925 -8.562 332 H SER 40 HN SER 40 39.916 -0.682 -5.689 333 HA SER 40 HA SER 40 42.309 -2.205 -5.445 334 HB2 SER 40 HB2 SER 40 41.805 0.748 -5.054 335 HB3 SER 40 HB1 SER 40 43.400 -0.004 -5.118 336 HG SER 40 HG SER 40 42.841 -0.760 -7.222 337 H VAL 41 HN VAL 41 40.298 -0.408 -3.132 338 HA VAL 41 HA VAL 41 42.132 -0.855 -0.992 339 HB VAL 41 HB VAL 41 40.591 1.068 -0.957 340 HG11 VAL 41 HG11 VAL 41 38.414 -0.957 -0.500 341 HG12 VAL 41 HG12 VAL 41 38.636 0.032 -1.943 342 HG13 VAL 41 HG13 VAL 41 38.238 0.796 -0.403 343 HG21 VAL 41 HG21 VAL 41 39.880 0.881 1.394 344 HG22 VAL 41 HG22 VAL 41 41.535 0.332 1.133 345 HG23 VAL 41 HG23 VAL 41 40.238 -0.846 1.341 346 H GLN 42 HN GLN 42 39.318 -2.557 -2.207 347 HA GLN 42 HA GLN 42 39.030 -4.309 0.023 348 HB2 GLN 42 HB2 GLN 42 37.264 -3.739 -1.712 349 HB3 GLN 42 HB1 GLN 42 38.119 -4.784 -2.830 350 HG2 GLN 42 HG2 GLN 42 37.219 -5.861 -0.195 351 HG3 GLN 42 HG1 GLN 42 36.053 -5.650 -1.495 352 HE21 GLN 42 HE21 GLN 42 37.956 -6.295 -3.607 353 HE22 GLN 42 HE22 GLN 42 38.219 -7.997 -3.508 354 H THR 43 HN THR 43 40.985 -4.387 -2.887 355 HA THR 43 HA THR 43 41.679 -7.146 -2.559 356 HB THR 43 HB THR 43 43.514 -6.521 -4.272 357 HG1 THR 43 HG1 THR 43 41.874 -4.322 -4.862 358 HG21 THR 43 HG21 THR 43 40.591 -6.213 -4.975 359 HG22 THR 43 HG22 THR 43 41.474 -7.735 -4.859 360 HG23 THR 43 HG23 THR 43 41.887 -6.570 -6.117 361 H ILE 44 HN ILE 44 43.152 -4.049 -1.680 362 HA ILE 44 HA ILE 44 45.591 -5.281 -0.861 363 HB ILE 44 HB ILE 44 46.210 -3.106 0.144 364 HG12 ILE 44 HG12 ILE 44 44.563 -1.177 -0.642 365 HG13 ILE 44 HG11 ILE 44 43.362 -2.451 -0.483 366 HG21 ILE 44 HG21 ILE 44 46.731 -3.553 -2.166 367 HG22 ILE 44 HG22 ILE 44 46.321 -1.851 -1.958 368 HG23 ILE 44 HG23 ILE 44 45.147 -2.960 -2.666 369 HD11 ILE 44 HD11 ILE 44 45.202 -1.476 1.690 370 HD12 ILE 44 HD12 ILE 44 44.001 -2.757 1.854 371 HD13 ILE 44 HD13 ILE 44 43.487 -1.101 1.528 372 H VAL 45 HN VAL 45 42.585 -4.526 0.790 373 HA VAL 45 HA VAL 45 43.631 -4.868 3.400 374 HB VAL 45 HB VAL 45 41.277 -5.269 4.141 375 HG11 VAL 45 HG11 VAL 45 42.189 -3.018 4.023 376 HG12 VAL 45 HG12 VAL 45 40.467 -3.040 3.654 377 HG13 VAL 45 HG13 VAL 45 41.644 -2.883 2.350 378 HG21 VAL 45 HG21 VAL 45 40.420 -6.411 2.185 379 HG22 VAL 45 HG22 VAL 45 40.633 -4.950 1.221 380 HG23 VAL 45 HG23 VAL 45 39.455 -4.976 2.534 381 H ARG 46 HN ARG 46 42.495 -7.094 0.968 382 HA ARG 46 HA ARG 46 42.342 -9.397 2.593 383 HB2 ARG 46 HB2 ARG 46 43.006 -9.099 -0.337 384 HB3 ARG 46 HB1 ARG 46 42.776 -10.648 0.457 385 HG2 ARG 46 HG2 ARG 46 40.478 -9.960 1.038 386 HG3 ARG 46 HG1 ARG 46 40.729 -8.474 0.117 387 HD2 ARG 46 HD2 ARG 46 41.147 -9.768 -1.892 388 HD3 ARG 46 HD1 ARG 46 40.967 -11.268 -0.985 389 HE ARG 46 HE ARG 46 38.710 -9.429 -0.993 390 HH11 ARG 46 HH11 ARG 46 40.155 -12.359 -2.264 391 HH12 ARG 46 HH12 ARG 46 38.668 -12.971 -2.898 392 HH21 ARG 46 HH21 ARG 46 36.748 -10.238 -1.815 393 HH22 ARG 46 HH22 ARG 46 36.716 -11.758 -2.637 394 H LYS 47 HN LYS 47 44.974 -8.001 0.689 395 HA LYS 47 HA LYS 47 46.865 -9.991 1.323 396 HB2 LYS 47 HB2 LYS 47 46.952 -7.325 0.052 397 HB3 LYS 47 HB1 LYS 47 48.457 -7.887 0.766 398 HG2 LYS 47 HG2 LYS 47 48.346 -8.468 -1.585 399 HG3 LYS 47 HG1 LYS 47 48.345 -9.921 -0.586 400 HD2 LYS 47 HD2 LYS 47 45.818 -9.892 -0.795 401 HD3 LYS 47 HD1 LYS 47 46.031 -8.657 -2.037 402 HE2 LYS 47 HE2 LYS 47 47.197 -11.440 -2.083 403 HE3 LYS 47 HE1 LYS 47 45.816 -10.887 -3.025 404 HZ1 LYS 47 HZ1 LYS 47 48.555 -9.770 -3.238 405 HZ2 LYS 47 HZ2 LYS 47 47.231 -9.383 -4.218 406 HZ3 LYS 47 HZ3 LYS 47 47.911 -10.931 -4.280 407 H TYR 48 HN TYR 48 46.140 -6.857 2.854 408 HA TYR 48 HA TYR 48 48.252 -6.931 4.655 409 HB2 TYR 48 HB2 TYR 48 47.071 -4.885 4.262 410 HB3 TYR 48 HB1 TYR 48 45.548 -5.605 4.773 411 HD1 TYR 48 HD1 TYR 48 48.952 -5.583 6.262 412 HD2 TYR 48 HD2 TYR 48 44.849 -4.605 6.709 413 HE1 TYR 48 HE1 TYR 48 49.388 -4.874 8.542 414 HE2 TYR 48 HE2 TYR 48 45.261 -3.884 8.996 415 HH TYR 48 HH TYR 48 48.418 -3.414 10.239 416 H LYS 49 HN LYS 49 44.883 -8.026 4.951 417 HA LYS 49 HA LYS 49 45.092 -8.936 7.608 418 HB2 LYS 49 HB2 LYS 49 42.957 -8.503 6.422 419 HB3 LYS 49 HB1 LYS 49 43.252 -9.911 5.415 420 HG2 LYS 49 HG2 LYS 49 43.018 -11.382 7.277 421 HG3 LYS 49 HG1 LYS 49 42.978 -10.028 8.409 422 HD2 LYS 49 HD2 LYS 49 40.732 -10.900 8.025 423 HD3 LYS 49 HD1 LYS 49 40.875 -9.257 7.404 424 HE2 LYS 49 HE2 LYS 49 41.206 -10.162 5.138 425 HE3 LYS 49 HE1 LYS 49 41.024 -11.795 5.777 426 HZ1 LYS 49 HZ1 LYS 49 38.973 -10.985 4.793 427 HZ2 LYS 49 HZ2 LYS 49 38.949 -9.672 5.847 428 HZ3 LYS 49 HZ3 LYS 49 38.772 -11.240 6.451 429 H HIS 50 HN HIS 50 45.868 -10.393 4.538 430 HA HIS 50 HA HIS 50 46.235 -13.058 5.471 431 HB2 HIS 50 HB2 HIS 50 45.828 -12.460 3.094 432 HB3 HIS 50 HB1 HIS 50 47.406 -11.696 3.034 433 HD1 HIS 50 HD1 HIS 50 45.750 -15.051 3.103 434 HD2 HIS 50 HD2 HIS 50 49.568 -13.448 2.780 435 HE1 HIS 50 HE1 HIS 50 47.212 -16.949 2.362 436 H HIS 51 HN HIS 51 48.449 -10.356 4.827 437 HA HIS 51 HA HIS 51 50.777 -11.820 5.700 438 HB2 HIS 51 HB2 HIS 51 50.339 -8.904 5.029 439 HB3 HIS 51 HB1 HIS 51 51.885 -9.528 5.589 440 HD1 HIS 51 HD1 HIS 51 53.410 -9.739 3.624 441 HD2 HIS 51 HD2 HIS 51 49.504 -10.808 2.670 442 HE1 HIS 51 HE1 HIS 51 53.473 -10.453 1.226 443 H GLY 52 HN GLY 52 48.293 -10.120 7.272 444 HA2 GLY 52 HA2 GLY 52 49.631 -9.261 9.590 445 HA3 GLY 52 HA1 GLY 52 47.931 -9.720 9.504 446 H THR 53 HN THR 53 48.403 -12.363 8.571 447 HA THR 53 HA THR 53 49.318 -13.599 11.042 448 HB THR 53 HB THR 53 48.261 -15.671 10.027 449 HG1 THR 53 HG1 THR 53 48.280 -14.391 7.845 450 HG21 THR 53 HG21 THR 53 45.975 -14.945 10.535 451 HG22 THR 53 HG22 THR 53 46.486 -13.261 10.436 452 HG23 THR 53 HG23 THR 53 47.118 -14.300 11.711 453 H THR 54 HN THR 54 51.375 -14.151 11.064 454 HA THR 54 HA THR 54 53.469 -14.693 10.444 455 HB THR 54 HB THR 54 53.724 -16.742 9.010 456 HG1 THR 54 HG1 THR 54 51.226 -16.067 8.288 457 HG21 THR 54 HG21 THR 54 51.669 -16.910 11.218 458 HG22 THR 54 HG22 THR 54 53.420 -16.931 11.428 459 HG23 THR 54 HG23 THR 54 52.616 -18.260 10.593 460 H GLN 55 HN GLN 55 53.600 -12.549 9.457 461 HA GLN 55 HA GLN 55 53.474 -12.209 6.653 462 HB2 GLN 55 HB2 GLN 55 53.343 -10.330 8.246 463 HB3 GLN 55 HB1 GLN 55 55.017 -10.611 8.704 464 HG2 GLN 55 HG2 GLN 55 55.693 -10.136 6.378 465 HG3 GLN 55 HG1 GLN 55 54.015 -9.757 5.997 466 HE21 GLN 55 HE21 GLN 55 56.889 -8.730 7.638 467 HE22 GLN 55 HE22 GLN 55 56.381 -7.114 7.951 468 H HIS 56 HN HIS 56 54.684 -13.573 5.461 469 HA HIS 56 HA HIS 56 57.327 -14.352 6.105 470 HB2 HIS 56 HB2 HIS 56 57.448 -15.246 3.822 471 HB3 HIS 56 HB1 HIS 56 55.929 -15.690 4.584 472 HD1 HIS 56 HD1 HIS 56 57.322 -14.062 1.615 473 HD2 HIS 56 HD2 HIS 56 53.664 -14.160 3.581 474 HE1 HIS 56 HE1 HIS 56 55.651 -13.180 -0.039 475 H HIS 57 HN HIS 57 59.298 -13.653 5.225 476 HA HIS 57 HA HIS 57 59.233 -11.112 3.781 477 HB2 HIS 57 HB2 HIS 57 59.429 -10.681 6.259 478 HB3 HIS 57 HB1 HIS 57 60.950 -11.562 6.233 479 HD1 HIS 57 HD1 HIS 57 63.009 -10.301 5.466 480 HD2 HIS 57 HD2 HIS 57 59.489 -8.171 4.880 481 HE1 HIS 57 HE1 HIS 57 63.730 -7.980 4.859 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 49.915 -4.616 -31.713 2 H2 ALA 1 HT2 ALA 1 49.775 -3.001 -32.198 3 H3 ALA 1 HT3 ALA 1 49.005 -3.531 -30.794 4 HA ALA 1 HA ALA 1 51.921 -3.442 -31.214 5 HB1 ALA 1 HB1 ALA 1 50.141 -1.666 -29.547 6 HB2 ALA 1 HB2 ALA 1 50.942 -1.207 -31.049 7 HB3 ALA 1 HB3 ALA 1 51.900 -1.590 -29.621 8 H SER 2 HN SER 2 53.085 -3.733 -29.144 9 HA SER 2 HA SER 2 51.825 -5.883 -27.641 10 HB2 SER 2 HB2 SER 2 54.183 -6.183 -26.732 11 HB3 SER 2 HB1 SER 2 53.986 -6.472 -28.460 12 HG SER 2 HG SER 2 55.322 -4.902 -28.837 13 H MET 3 HN MET 3 52.023 -5.938 -25.305 14 HA MET 3 HA MET 3 51.688 -3.255 -24.194 15 HB2 MET 3 HB2 MET 3 49.781 -4.657 -23.837 16 HB3 MET 3 HB1 MET 3 50.783 -5.961 -23.219 17 HG2 MET 3 HG2 MET 3 51.302 -4.705 -21.245 18 HG3 MET 3 HG1 MET 3 50.485 -3.284 -21.881 19 HE1 MET 3 HE1 MET 3 50.059 -6.948 -20.564 20 HE2 MET 3 HE2 MET 3 49.256 -7.036 -22.133 21 HE3 MET 3 HE3 MET 3 48.311 -7.169 -20.649 22 H GLY 4 HN GLY 4 53.240 -2.417 -23.036 23 HA2 GLY 4 HA2 GLY 4 55.321 -4.164 -21.950 24 HA3 GLY 4 HA1 GLY 4 55.438 -2.421 -22.162 25 H LYS 5 HN LYS 5 54.127 -4.984 -20.187 26 HA LYS 5 HA LYS 5 52.781 -3.318 -18.351 27 HB2 LYS 5 HB2 LYS 5 52.765 -5.285 -16.849 28 HB3 LYS 5 HB1 LYS 5 52.173 -5.636 -18.463 29 HG2 LYS 5 HG2 LYS 5 54.074 -6.874 -19.018 30 HG3 LYS 5 HG1 LYS 5 55.014 -6.196 -17.686 31 HD2 LYS 5 HD2 LYS 5 54.282 -8.539 -17.295 32 HD3 LYS 5 HD1 LYS 5 53.699 -7.409 -16.073 33 HE2 LYS 5 HE2 LYS 5 51.531 -7.310 -17.230 34 HE3 LYS 5 HE1 LYS 5 52.124 -8.468 -18.418 35 HZ1 LYS 5 HZ1 LYS 5 52.343 -10.111 -16.699 36 HZ2 LYS 5 HZ2 LYS 5 50.771 -9.496 -16.665 37 HZ3 LYS 5 HZ3 LYS 5 51.894 -9.000 -15.507 38 H SER 6 HN SER 6 53.389 -2.346 -16.560 39 HA SER 6 HA SER 6 55.886 -2.864 -15.273 40 HB2 SER 6 HB2 SER 6 56.565 -1.422 -17.198 41 HB3 SER 6 HB1 SER 6 55.466 -0.176 -16.611 42 HG SER 6 HG SER 6 57.248 -1.137 -14.730 43 H LYS 7 HN LYS 7 55.083 -2.947 -13.276 44 HA LYS 7 HA LYS 7 52.861 -1.341 -12.469 45 HB2 LYS 7 HB2 LYS 7 54.606 -3.351 -11.085 46 HB3 LYS 7 HB1 LYS 7 53.543 -2.322 -10.139 47 HG2 LYS 7 HG2 LYS 7 52.481 -4.454 -10.571 48 HG3 LYS 7 HG1 LYS 7 51.611 -3.169 -11.406 49 HD2 LYS 7 HD2 LYS 7 52.814 -3.773 -13.490 50 HD3 LYS 7 HD1 LYS 7 53.573 -5.112 -12.629 51 HE2 LYS 7 HE2 LYS 7 51.664 -5.905 -13.909 52 HE3 LYS 7 HE1 LYS 7 51.353 -6.066 -12.182 53 HZ1 LYS 7 HZ1 LYS 7 50.371 -3.825 -13.868 54 HZ2 LYS 7 HZ2 LYS 7 49.989 -4.107 -12.244 55 HZ3 LYS 7 HZ3 LYS 7 49.448 -5.174 -13.435 56 H GLU 8 HN GLU 8 52.843 0.547 -11.490 57 HA GLU 8 HA GLU 8 55.183 2.122 -11.362 58 HB2 GLU 8 HB2 GLU 8 52.899 3.019 -11.762 59 HB3 GLU 8 HB1 GLU 8 52.480 2.634 -10.101 60 HG2 GLU 8 HG2 GLU 8 53.005 5.012 -10.443 61 HG3 GLU 8 HG1 GLU 8 54.071 4.234 -9.273 62 H ILE 9 HN ILE 9 56.367 2.847 -9.614 63 HA ILE 9 HA ILE 9 56.669 1.024 -7.467 64 HB ILE 9 HB ILE 9 57.767 3.840 -7.684 65 HG12 ILE 9 HG12 ILE 9 58.423 2.469 -9.612 66 HG13 ILE 9 HG11 ILE 9 59.803 2.788 -8.571 67 HG21 ILE 9 HG21 ILE 9 59.493 3.053 -6.119 68 HG22 ILE 9 HG22 ILE 9 58.664 1.502 -5.994 69 HG23 ILE 9 HG23 ILE 9 57.879 2.971 -5.413 70 HD11 ILE 9 HD11 ILE 9 58.223 0.227 -8.691 71 HD12 ILE 9 HD12 ILE 9 59.587 0.539 -7.620 72 HD13 ILE 9 HD13 ILE 9 59.829 0.501 -9.366 73 H SER 10 HN SER 10 54.828 0.836 -6.330 74 HA SER 10 HA SER 10 53.667 3.224 -5.115 75 HB2 SER 10 HB2 SER 10 52.581 0.406 -5.189 76 HB3 SER 10 HB1 SER 10 51.712 1.873 -4.732 77 HG SER 10 HG SER 10 52.731 1.184 -7.296 78 H GLN 11 HN GLN 11 56.169 1.649 -4.331 79 HA GLN 11 HA GLN 11 55.773 0.199 -1.996 80 HB2 GLN 11 HB2 GLN 11 57.903 0.344 -3.284 81 HB3 GLN 11 HB1 GLN 11 58.153 1.950 -2.613 82 HG2 GLN 11 HG2 GLN 11 59.456 0.359 -1.380 83 HG3 GLN 11 HG1 GLN 11 58.159 0.970 -0.352 84 HE21 GLN 11 HE21 GLN 11 59.385 -1.751 -2.098 85 HE22 GLN 11 HE22 GLN 11 58.351 -2.939 -1.388 86 H ASP 12 HN ASP 12 56.596 3.656 -2.293 87 HA ASP 12 HA ASP 12 56.505 4.198 0.469 88 HB2 ASP 12 HB2 ASP 12 56.166 6.051 -1.893 89 HB3 ASP 12 HB1 ASP 12 56.279 6.601 -0.227 90 H LEU 13 HN LEU 13 54.093 4.562 -2.071 91 HA LEU 13 HA LEU 13 52.098 5.720 -0.467 92 HB2 LEU 13 HB2 LEU 13 52.050 5.776 -2.913 93 HB3 LEU 13 HB1 LEU 13 51.820 4.041 -2.959 94 HG LEU 13 HG LEU 13 49.635 4.347 -1.798 95 HD11 LEU 13 HD11 LEU 13 50.069 6.471 -0.707 96 HD12 LEU 13 HD12 LEU 13 48.645 6.587 -1.741 97 HD13 LEU 13 HD13 LEU 13 50.180 7.274 -2.274 98 HD21 LEU 13 HD21 LEU 13 49.955 5.846 -4.394 99 HD22 LEU 13 HD22 LEU 13 48.448 5.187 -3.758 100 HD23 LEU 13 HD23 LEU 13 49.758 4.101 -4.225 101 H ARG 14 HN ARG 14 52.865 2.356 -1.223 102 HA ARG 14 HA ARG 14 50.571 1.238 -0.041 103 HB2 ARG 14 HB2 ARG 14 51.923 -0.030 -1.613 104 HB3 ARG 14 HB1 ARG 14 53.282 -0.011 -0.493 105 HG2 ARG 14 HG2 ARG 14 52.050 -1.353 1.088 106 HG3 ARG 14 HG1 ARG 14 50.619 -1.298 0.061 107 HD2 ARG 14 HD2 ARG 14 51.812 -2.513 -1.682 108 HD3 ARG 14 HD1 ARG 14 53.265 -2.541 -0.679 109 HE ARG 14 HE ARG 14 51.688 -3.749 0.969 110 HH11 ARG 14 HH11 ARG 14 51.705 -4.157 -2.522 111 HH12 ARG 14 HH12 ARG 14 51.064 -5.760 -2.464 112 HH21 ARG 14 HH21 ARG 14 50.841 -5.851 1.049 113 HH22 ARG 14 HH22 ARG 14 50.560 -6.736 -0.412 114 H LYS 15 HN LYS 15 53.891 1.566 1.271 115 HA LYS 15 HA LYS 15 53.213 0.437 3.759 116 HB2 LYS 15 HB2 LYS 15 55.317 1.302 4.603 117 HB3 LYS 15 HB1 LYS 15 55.545 0.641 2.995 118 HG2 LYS 15 HG2 LYS 15 55.529 2.920 2.076 119 HG3 LYS 15 HG1 LYS 15 55.343 3.560 3.712 120 HD2 LYS 15 HD2 LYS 15 57.464 2.426 4.338 121 HD3 LYS 15 HD1 LYS 15 57.657 1.938 2.655 122 HE2 LYS 15 HE2 LYS 15 57.674 4.315 1.997 123 HE3 LYS 15 HE1 LYS 15 57.538 4.769 3.694 124 HZ1 LYS 15 HZ1 LYS 15 59.821 4.883 2.990 125 HZ2 LYS 15 HZ2 LYS 15 59.785 3.293 2.438 126 HZ3 LYS 15 HZ3 LYS 15 59.657 3.610 4.089 127 H LYS 16 HN LYS 16 52.916 3.683 2.526 128 HA LYS 16 HA LYS 16 52.354 4.878 5.050 129 HB2 LYS 16 HB2 LYS 16 53.159 6.222 3.161 130 HB3 LYS 16 HB1 LYS 16 51.696 5.847 2.261 131 HG2 LYS 16 HG2 LYS 16 50.382 6.965 4.050 132 HG3 LYS 16 HG1 LYS 16 51.903 7.459 4.793 133 HD2 LYS 16 HD2 LYS 16 52.493 8.723 2.817 134 HD3 LYS 16 HD1 LYS 16 51.041 8.155 1.988 135 HE2 LYS 16 HE2 LYS 16 49.681 9.238 3.776 136 HE3 LYS 16 HE1 LYS 16 51.169 9.913 4.435 137 HZ1 LYS 16 HZ1 LYS 16 50.101 10.414 1.716 138 HZ2 LYS 16 HZ2 LYS 16 51.516 11.078 2.348 139 HZ3 LYS 16 HZ3 LYS 16 50.017 11.491 3.014 140 H ILE 17 HN ILE 17 50.326 3.740 2.336 141 HA ILE 17 HA ILE 17 47.891 4.528 3.486 142 HB ILE 17 HB ILE 17 48.243 3.853 1.051 143 HG12 ILE 17 HG12 ILE 17 45.888 2.620 2.497 144 HG13 ILE 17 HG11 ILE 17 46.027 4.314 2.044 145 HG21 ILE 17 HG21 ILE 17 49.330 1.696 1.469 146 HG22 ILE 17 HG22 ILE 17 47.899 1.521 0.451 147 HG23 ILE 17 HG23 ILE 17 47.828 1.078 2.158 148 HD11 ILE 17 HD11 ILE 17 46.065 3.676 -0.314 149 HD12 ILE 17 HD12 ILE 17 44.607 3.099 0.493 150 HD13 ILE 17 HD13 ILE 17 45.925 1.979 0.145 151 H VAL 18 HN VAL 18 49.899 1.751 4.061 152 HA VAL 18 HA VAL 18 48.009 0.110 5.351 153 HB VAL 18 HB VAL 18 51.005 0.339 5.784 154 HG11 VAL 18 HG11 VAL 18 49.085 -1.748 6.815 155 HG12 VAL 18 HG12 VAL 18 50.000 -0.592 7.783 156 HG13 VAL 18 HG13 VAL 18 50.844 -1.857 6.890 157 HG21 VAL 18 HG21 VAL 18 50.365 -0.417 3.559 158 HG22 VAL 18 HG22 VAL 18 49.340 -1.667 4.263 159 HG23 VAL 18 HG23 VAL 18 51.089 -1.737 4.478 160 H ASP 19 HN ASP 19 50.214 2.600 6.615 161 HA ASP 19 HA ASP 19 49.378 2.421 9.311 162 HB2 ASP 19 HB2 ASP 19 51.463 3.552 8.644 163 HB3 ASP 19 HB1 ASP 19 50.526 4.799 7.828 164 H LEU 20 HN LEU 20 48.297 4.367 6.593 165 HA LEU 20 HA LEU 20 46.444 5.983 7.940 166 HB2 LEU 20 HB2 LEU 20 46.799 5.114 5.112 167 HB3 LEU 20 HB1 LEU 20 45.297 5.895 5.553 168 HG LEU 20 HG LEU 20 46.455 7.911 6.196 169 HD11 LEU 20 HD11 LEU 20 49.011 6.455 5.575 170 HD12 LEU 20 HD12 LEU 20 48.452 6.951 7.173 171 HD13 LEU 20 HD13 LEU 20 48.867 8.169 5.965 172 HD21 LEU 20 HD21 LEU 20 47.484 6.879 3.565 173 HD22 LEU 20 HD22 LEU 20 47.412 8.572 4.055 174 HD23 LEU 20 HD23 LEU 20 45.923 7.650 3.844 175 H HIS 21 HN HIS 21 46.184 2.721 6.697 176 HA HIS 21 HA HIS 21 43.376 2.415 6.980 177 HB2 HIS 21 HB2 HIS 21 45.693 0.561 6.712 178 HB3 HIS 21 HB1 HIS 21 44.179 -0.101 7.313 179 HD1 HIS 21 HD1 HIS 21 45.596 1.629 4.272 180 HD2 HIS 21 HD2 HIS 21 42.253 -0.547 5.420 181 HE1 HIS 21 HE1 HIS 21 44.316 1.190 2.153 182 H LYS 22 HN LYS 22 46.089 1.862 9.108 183 HA LYS 22 HA LYS 22 44.556 0.738 11.224 184 HB2 LYS 22 HB2 LYS 22 47.325 1.940 11.191 185 HB3 LYS 22 HB1 LYS 22 46.639 1.020 12.524 186 HG2 LYS 22 HG2 LYS 22 46.681 -0.983 11.331 187 HG3 LYS 22 HG1 LYS 22 46.823 -0.160 9.777 188 HD2 LYS 22 HD2 LYS 22 49.069 0.537 10.312 189 HD3 LYS 22 HD1 LYS 22 48.948 -0.187 11.921 190 HE2 LYS 22 HE2 LYS 22 48.770 -1.681 9.301 191 HE3 LYS 22 HE1 LYS 22 50.206 -1.593 10.317 192 HZ1 LYS 22 HZ1 LYS 22 48.945 -2.687 12.083 193 HZ2 LYS 22 HZ2 LYS 22 49.022 -3.638 10.692 194 HZ3 LYS 22 HZ3 LYS 22 47.601 -2.807 11.064 195 H SER 23 HN SER 23 45.109 3.908 10.126 196 HA SER 23 HA SER 23 44.509 5.161 12.677 197 HB2 SER 23 HB2 SER 23 44.898 6.431 9.958 198 HB3 SER 23 HB1 SER 23 44.881 7.262 11.514 199 HG SER 23 HG SER 23 46.770 5.295 10.680 200 H GLY 24 HN GLY 24 42.945 4.368 9.649 201 HA2 GLY 24 HA2 GLY 24 40.653 4.073 9.341 202 HA3 GLY 24 HA1 GLY 24 40.364 4.881 10.873 203 H SER 25 HN SER 25 40.875 7.280 10.845 204 HA SER 25 HA SER 25 39.199 8.510 8.963 205 HB2 SER 25 HB2 SER 25 39.684 9.371 11.263 206 HB3 SER 25 HB1 SER 25 41.275 9.872 10.694 207 HG SER 25 HG SER 25 40.406 11.526 9.715 208 H SER 26 HN SER 26 42.701 8.187 9.091 209 HA SER 26 HA SER 26 43.289 10.028 7.039 210 HB2 SER 26 HB2 SER 26 44.971 7.645 7.783 211 HB3 SER 26 HB1 SER 26 45.497 9.220 7.177 212 HG SER 26 HG SER 26 44.434 10.031 9.199 213 H LEU 27 HN LEU 27 42.013 6.850 6.957 214 HA LEU 27 HA LEU 27 42.915 6.057 4.377 215 HB2 LEU 27 HB2 LEU 27 41.912 4.592 6.218 216 HB3 LEU 27 HB1 LEU 27 40.353 5.232 5.761 217 HG LEU 27 HG LEU 27 42.132 3.652 3.888 218 HD11 LEU 27 HD11 LEU 27 40.623 1.779 4.334 219 HD12 LEU 27 HD12 LEU 27 39.799 2.740 5.562 220 HD13 LEU 27 HD13 LEU 27 41.487 2.282 5.786 221 HD21 LEU 27 HD21 LEU 27 39.201 4.375 3.732 222 HD22 LEU 27 HD22 LEU 27 40.085 3.381 2.574 223 HD23 LEU 27 HD23 LEU 27 40.489 5.089 2.762 224 H GLY 28 HN GLY 28 39.940 7.538 5.607 225 HA2 GLY 28 HA2 GLY 28 38.690 7.834 3.086 226 HA3 GLY 28 HA1 GLY 28 38.254 8.678 4.564 227 H ALA 29 HN ALA 29 40.911 9.823 4.896 228 HA ALA 29 HA ALA 29 40.543 12.279 3.664 229 HB1 ALA 29 HB1 ALA 29 42.802 12.819 4.380 230 HB2 ALA 29 HB2 ALA 29 43.148 11.109 4.638 231 HB3 ALA 29 HB3 ALA 29 41.954 11.928 5.643 232 H ILE 30 HN ILE 30 42.913 9.756 2.760 233 HA ILE 30 HA ILE 30 43.675 11.162 0.405 234 HB ILE 30 HB ILE 30 44.910 9.132 -0.235 235 HG12 ILE 30 HG12 ILE 30 43.839 7.914 2.320 236 HG13 ILE 30 HG11 ILE 30 43.228 7.519 0.718 237 HG21 ILE 30 HG21 ILE 30 45.970 10.739 1.218 238 HG22 ILE 30 HG22 ILE 30 46.443 9.109 1.701 239 HG23 ILE 30 HG23 ILE 30 45.236 9.990 2.635 240 HD11 ILE 30 HD11 ILE 30 46.038 7.077 1.698 241 HD12 ILE 30 HD12 ILE 30 45.432 6.682 0.089 242 HD13 ILE 30 HD13 ILE 30 44.790 5.847 1.504 243 H SER 31 HN SER 31 41.310 8.677 1.096 244 HA SER 31 HA SER 31 40.801 7.848 -1.536 245 HB2 SER 31 HB2 SER 31 38.904 7.948 0.821 246 HB3 SER 31 HB1 SER 31 38.640 7.035 -0.664 247 HG SER 31 HG SER 31 40.558 6.612 1.368 248 H LYS 32 HN LYS 32 39.620 10.553 0.330 249 HA LYS 32 HA LYS 32 37.733 11.383 -1.675 250 HB2 LYS 32 HB2 LYS 32 37.577 11.792 0.852 251 HB3 LYS 32 HB1 LYS 32 38.815 13.013 0.635 252 HG2 LYS 32 HG2 LYS 32 36.156 13.070 -0.783 253 HG3 LYS 32 HG1 LYS 32 36.458 13.864 0.759 254 HD2 LYS 32 HD2 LYS 32 38.200 15.227 -0.284 255 HD3 LYS 32 HD1 LYS 32 37.919 14.415 -1.824 256 HE2 LYS 32 HE2 LYS 32 35.550 15.226 -1.705 257 HE3 LYS 32 HE1 LYS 32 36.019 16.191 -0.308 258 HZ1 LYS 32 HZ1 LYS 32 36.101 17.515 -2.297 259 HZ2 LYS 32 HZ2 LYS 32 37.134 16.413 -3.047 260 HZ3 LYS 32 HZ3 LYS 32 37.674 17.302 -1.713 261 H ARG 33 HN ARG 33 40.992 12.230 -0.654 262 HA ARG 33 HA ARG 33 41.213 14.588 -2.208 263 HB2 ARG 33 HB2 ARG 33 42.596 13.898 -0.174 264 HB3 ARG 33 HB1 ARG 33 43.545 12.932 -1.294 265 HG2 ARG 33 HG2 ARG 33 43.939 15.029 -2.614 266 HG3 ARG 33 HG1 ARG 33 43.193 15.916 -1.284 267 HD2 ARG 33 HD2 ARG 33 45.496 16.025 -0.859 268 HD3 ARG 33 HD1 ARG 33 44.898 14.763 0.217 269 HE ARG 33 HE ARG 33 45.924 13.893 -2.357 270 HH11 ARG 33 HH11 ARG 33 46.543 14.328 1.070 271 HH12 ARG 33 HH12 ARG 33 47.935 13.301 1.076 272 HH21 ARG 33 HH21 ARG 33 47.765 12.533 -2.349 273 HH22 ARG 33 HH22 ARG 33 48.635 12.273 -0.878 274 H LEU 34 HN LEU 34 42.858 11.429 -2.695 275 HA LEU 34 HA LEU 34 43.430 12.298 -5.426 276 HB2 LEU 34 HB2 LEU 34 44.999 10.314 -5.455 277 HB3 LEU 34 HB1 LEU 34 45.412 11.630 -4.384 278 HG LEU 34 HG LEU 34 44.313 10.209 -2.531 279 HD11 LEU 34 HD11 LEU 34 44.788 8.062 -4.587 280 HD12 LEU 34 HD12 LEU 34 43.221 8.582 -3.967 281 HD13 LEU 34 HD13 LEU 34 44.383 7.803 -2.891 282 HD21 LEU 34 HD21 LEU 34 46.894 9.340 -3.824 283 HD22 LEU 34 HD22 LEU 34 46.401 8.981 -2.168 284 HD23 LEU 34 HD23 LEU 34 46.695 10.648 -2.657 285 H LYS 35 HN LYS 35 41.101 10.555 -3.931 286 HA LYS 35 HA LYS 35 39.494 9.107 -4.596 287 HB2 LYS 35 HB2 LYS 35 40.351 10.037 -7.342 288 HB3 LYS 35 HB1 LYS 35 38.912 9.084 -7.023 289 HG2 LYS 35 HG2 LYS 35 39.429 11.813 -5.865 290 HG3 LYS 35 HG1 LYS 35 38.486 11.507 -7.324 291 HD2 LYS 35 HD2 LYS 35 36.940 10.115 -6.005 292 HD3 LYS 35 HD1 LYS 35 37.877 10.473 -4.553 293 HE2 LYS 35 HE2 LYS 35 37.379 12.834 -4.785 294 HE3 LYS 35 HE1 LYS 35 36.507 12.526 -6.284 295 HZ1 LYS 35 HZ1 LYS 35 35.011 12.787 -4.404 296 HZ2 LYS 35 HZ2 LYS 35 35.736 11.487 -3.606 297 HZ3 LYS 35 HZ3 LYS 35 34.899 11.231 -5.049 298 H VAL 36 HN VAL 36 40.827 7.390 -3.744 299 HA VAL 36 HA VAL 36 42.171 5.739 -5.723 300 HB VAL 36 HB VAL 36 43.201 6.122 -3.457 301 HG11 VAL 36 HG11 VAL 36 41.168 6.075 -2.117 302 HG12 VAL 36 HG12 VAL 36 42.363 4.928 -1.518 303 HG13 VAL 36 HG13 VAL 36 40.982 4.355 -2.451 304 HG21 VAL 36 HG21 VAL 36 43.925 4.231 -4.775 305 HG22 VAL 36 HG22 VAL 36 42.593 3.254 -4.161 306 HG23 VAL 36 HG23 VAL 36 43.874 3.782 -3.070 307 HA PRO 37 HA PRO 37 38.571 3.191 -6.446 308 HB2 PRO 37 HB2 PRO 37 39.938 0.867 -7.097 309 HB3 PRO 37 HB1 PRO 37 39.598 2.178 -8.230 310 HG2 PRO 37 HG2 PRO 37 42.093 1.606 -6.684 311 HG3 PRO 37 HG1 PRO 37 41.914 2.155 -8.361 312 HD2 PRO 37 HD2 PRO 37 42.599 3.846 -6.414 313 HD3 PRO 37 HD1 PRO 37 41.516 4.351 -7.728 314 H ARG 38 HN ARG 38 37.735 2.992 -4.371 315 HA ARG 38 HA ARG 38 39.028 1.590 -2.300 316 HB2 ARG 38 HB2 ARG 38 37.338 3.394 -1.978 317 HB3 ARG 38 HB1 ARG 38 36.091 2.252 -2.458 318 HG2 ARG 38 HG2 ARG 38 36.459 0.905 -0.552 319 HG3 ARG 38 HG1 ARG 38 37.951 1.758 -0.152 320 HD2 ARG 38 HD2 ARG 38 36.630 3.807 0.218 321 HD3 ARG 38 HD1 ARG 38 35.155 2.885 -0.068 322 HE ARG 38 HE ARG 38 36.025 1.473 1.882 323 HH11 ARG 38 HH11 ARG 38 36.461 4.945 1.569 324 HH12 ARG 38 HH12 ARG 38 36.602 5.211 3.275 325 HH21 ARG 38 HH21 ARG 38 36.192 1.823 4.143 326 HH22 ARG 38 HH22 ARG 38 36.441 3.421 4.751 327 H SER 39 HN SER 39 36.877 0.509 -4.821 328 HA SER 39 HA SER 39 36.096 -1.921 -3.611 329 HB2 SER 39 HB2 SER 39 36.465 -1.380 -6.569 330 HB3 SER 39 HB1 SER 39 35.465 -2.635 -5.841 331 HG SER 39 HG SER 39 33.992 -1.193 -5.285 332 H SER 40 HN SER 40 38.927 -0.905 -5.386 333 HA SER 40 HA SER 40 40.069 -3.525 -5.557 334 HB2 SER 40 HB2 SER 40 40.594 -1.667 -7.171 335 HB3 SER 40 HB1 SER 40 41.438 -0.834 -5.867 336 HG SER 40 HG SER 40 42.073 -3.456 -6.750 337 H VAL 41 HN VAL 41 40.340 -0.713 -3.462 338 HA VAL 41 HA VAL 41 42.494 -1.565 -1.890 339 HB VAL 41 HB VAL 41 40.165 0.205 -1.103 340 HG11 VAL 41 HG11 VAL 41 42.857 -0.142 0.213 341 HG12 VAL 41 HG12 VAL 41 41.305 -0.664 0.867 342 HG13 VAL 41 HG13 VAL 41 41.641 1.054 0.659 343 HG21 VAL 41 HG21 VAL 41 41.710 2.050 -1.582 344 HG22 VAL 41 HG22 VAL 41 41.405 1.065 -3.014 345 HG23 VAL 41 HG23 VAL 41 42.921 0.889 -2.127 346 H GLN 42 HN GLN 42 38.986 -1.938 -1.354 347 HA GLN 42 HA GLN 42 39.228 -3.263 1.112 348 HB2 GLN 42 HB2 GLN 42 36.897 -3.910 0.840 349 HB3 GLN 42 HB1 GLN 42 37.136 -2.229 0.389 350 HG2 GLN 42 HG2 GLN 42 37.121 -2.870 -1.972 351 HG3 GLN 42 HG1 GLN 42 36.863 -4.550 -1.507 352 HE21 GLN 42 HE21 GLN 42 34.925 -4.667 -2.592 353 HE22 GLN 42 HE22 GLN 42 33.492 -3.882 -2.031 354 H THR 43 HN THR 43 39.494 -4.492 -2.148 355 HA THR 43 HA THR 43 39.166 -7.202 -1.249 356 HB THR 43 HB THR 43 38.507 -6.348 -3.588 357 HG1 THR 43 HG1 THR 43 40.109 -8.639 -3.861 358 HG21 THR 43 HG21 THR 43 40.638 -5.266 -4.163 359 HG22 THR 43 HG22 THR 43 40.227 -6.529 -5.322 360 HG23 THR 43 HG23 THR 43 41.451 -6.829 -4.089 361 H ILE 44 HN ILE 44 41.870 -5.038 -1.953 362 HA ILE 44 HA ILE 44 43.781 -7.183 -1.774 363 HB ILE 44 HB ILE 44 45.532 -5.472 -1.876 364 HG12 ILE 44 HG12 ILE 44 43.307 -3.433 -2.020 365 HG13 ILE 44 HG11 ILE 44 44.260 -3.739 -0.573 366 HG21 ILE 44 HG21 ILE 44 44.603 -6.312 -3.949 367 HG22 ILE 44 HG22 ILE 44 45.032 -4.609 -4.117 368 HG23 ILE 44 HG23 ILE 44 43.345 -5.076 -3.911 369 HD11 ILE 44 HD11 ILE 44 46.275 -3.050 -1.749 370 HD12 ILE 44 HD12 ILE 44 45.051 -1.780 -1.775 371 HD13 ILE 44 HD13 ILE 44 45.331 -2.765 -3.212 372 H VAL 45 HN VAL 45 42.403 -4.825 0.431 373 HA VAL 45 HA VAL 45 44.357 -5.175 2.442 374 HB VAL 45 HB VAL 45 42.750 -4.202 4.030 375 HG11 VAL 45 HG11 VAL 45 42.544 -2.022 2.948 376 HG12 VAL 45 HG12 VAL 45 42.916 -2.768 1.394 377 HG13 VAL 45 HG13 VAL 45 44.126 -2.751 2.678 378 HG21 VAL 45 HG21 VAL 45 40.561 -3.407 3.220 379 HG22 VAL 45 HG22 VAL 45 40.683 -5.167 3.225 380 HG23 VAL 45 HG23 VAL 45 40.830 -4.277 1.709 381 H ARG 46 HN ARG 46 41.393 -6.907 1.684 382 HA ARG 46 HA ARG 46 41.316 -8.495 4.014 383 HB2 ARG 46 HB2 ARG 46 40.394 -9.151 1.208 384 HB3 ARG 46 HB1 ARG 46 40.000 -10.098 2.635 385 HG2 ARG 46 HG2 ARG 46 38.804 -8.213 3.583 386 HG3 ARG 46 HG1 ARG 46 39.237 -7.222 2.188 387 HD2 ARG 46 HD2 ARG 46 36.988 -8.017 1.904 388 HD3 ARG 46 HD1 ARG 46 38.030 -8.831 0.739 389 HE ARG 46 HE ARG 46 37.757 -10.349 3.126 390 HH11 ARG 46 HH11 ARG 46 36.101 -9.521 0.142 391 HH12 ARG 46 HH12 ARG 46 35.125 -10.950 0.134 392 HH21 ARG 46 HH21 ARG 46 36.471 -12.255 3.099 393 HH22 ARG 46 HH22 ARG 46 35.338 -12.507 1.814 394 H LYS 47 HN LYS 47 42.995 -8.814 0.962 395 HA LYS 47 HA LYS 47 44.124 -11.372 1.425 396 HB2 LYS 47 HB2 LYS 47 43.906 -10.116 -0.791 397 HB3 LYS 47 HB1 LYS 47 45.294 -9.170 -0.281 398 HG2 LYS 47 HG2 LYS 47 46.086 -10.868 -1.724 399 HG3 LYS 47 HG1 LYS 47 46.567 -11.319 -0.086 400 HD2 LYS 47 HD2 LYS 47 44.700 -12.865 0.061 401 HD3 LYS 47 HD1 LYS 47 44.141 -12.374 -1.538 402 HE2 LYS 47 HE2 LYS 47 45.329 -14.467 -1.699 403 HE3 LYS 47 HE1 LYS 47 46.256 -13.198 -2.496 404 HZ1 LYS 47 HZ1 LYS 47 47.645 -14.635 -1.135 405 HZ2 LYS 47 HZ2 LYS 47 46.759 -14.226 0.242 406 HZ3 LYS 47 HZ3 LYS 47 47.673 -13.051 -0.553 407 H TYR 48 HN TYR 48 45.158 -8.056 2.010 408 HA TYR 48 HA TYR 48 47.752 -8.672 2.920 409 HB2 TYR 48 HB2 TYR 48 47.776 -6.485 2.361 410 HB3 TYR 48 HB1 TYR 48 46.052 -6.301 2.634 411 HD1 TYR 48 HD1 TYR 48 49.355 -6.327 4.324 412 HD2 TYR 48 HD2 TYR 48 45.247 -5.273 4.578 413 HE1 TYR 48 HE1 TYR 48 49.816 -5.044 6.368 414 HE2 TYR 48 HE2 TYR 48 45.686 -3.996 6.612 415 HH TYR 48 HH TYR 48 47.357 -3.935 8.421 416 H LYS 49 HN LYS 49 44.628 -8.405 4.541 417 HA LYS 49 HA LYS 49 45.542 -8.331 7.194 418 HB2 LYS 49 HB2 LYS 49 43.033 -9.589 6.066 419 HB3 LYS 49 HB1 LYS 49 43.339 -9.376 7.782 420 HG2 LYS 49 HG2 LYS 49 43.118 -7.161 5.751 421 HG3 LYS 49 HG1 LYS 49 41.865 -7.647 6.892 422 HD2 LYS 49 HD2 LYS 49 43.347 -7.061 8.758 423 HD3 LYS 49 HD1 LYS 49 44.594 -6.571 7.611 424 HE2 LYS 49 HE2 LYS 49 43.389 -4.629 8.449 425 HE3 LYS 49 HE1 LYS 49 43.098 -4.845 6.724 426 HZ1 LYS 49 HZ1 LYS 49 41.072 -4.306 7.968 427 HZ2 LYS 49 HZ2 LYS 49 41.250 -5.719 8.879 428 HZ3 LYS 49 HZ3 LYS 49 40.962 -5.816 7.219 429 H HIS 50 HN HIS 50 45.126 -10.988 4.968 430 HA HIS 50 HA HIS 50 45.678 -13.033 6.890 431 HB2 HIS 50 HB2 HIS 50 45.555 -12.986 3.883 432 HB3 HIS 50 HB1 HIS 50 46.104 -14.413 4.749 433 HD1 HIS 50 HD1 HIS 50 44.326 -16.030 5.276 434 HD2 HIS 50 HD2 HIS 50 42.819 -12.187 4.818 435 HE1 HIS 50 HE1 HIS 50 41.833 -16.263 5.480 436 H HIS 51 HN HIS 51 47.555 -11.413 4.355 437 HA HIS 51 HA HIS 51 49.930 -12.880 4.842 438 HB2 HIS 51 HB2 HIS 51 49.445 -11.704 2.701 439 HB3 HIS 51 HB1 HIS 51 49.679 -10.167 3.527 440 HD1 HIS 51 HD1 HIS 51 51.601 -13.223 2.397 441 HD2 HIS 51 HD2 HIS 51 52.323 -9.379 3.820 442 HE1 HIS 51 HE1 HIS 51 54.063 -12.854 2.110 443 H GLY 52 HN GLY 52 48.561 -10.067 6.340 444 HA2 GLY 52 HA2 GLY 52 50.939 -9.084 7.545 445 HA3 GLY 52 HA1 GLY 52 49.298 -8.768 8.095 446 H THR 53 HN THR 53 48.796 -11.688 8.312 447 HA THR 53 HA THR 53 49.883 -12.024 10.980 448 HB THR 53 HB THR 53 47.955 -13.829 9.500 449 HG1 THR 53 HG1 THR 53 47.089 -11.937 11.387 450 HG21 THR 53 HG21 THR 53 48.968 -14.798 11.516 451 HG22 THR 53 HG22 THR 53 47.255 -14.468 11.771 452 HG23 THR 53 HG23 THR 53 48.471 -13.387 12.449 453 H THR 54 HN THR 54 50.208 -13.329 7.768 454 HA THR 54 HA THR 54 52.003 -15.432 8.768 455 HB THR 54 HB THR 54 51.568 -16.461 6.460 456 HG1 THR 54 HG1 THR 54 49.232 -14.837 6.544 457 HG21 THR 54 HG21 THR 54 49.271 -16.212 8.412 458 HG22 THR 54 HG22 THR 54 50.599 -17.368 8.519 459 HG23 THR 54 HG23 THR 54 49.446 -17.470 7.188 460 H GLN 55 HN GLN 55 52.775 -12.642 8.269 461 HA GLN 55 HA GLN 55 54.152 -12.517 5.774 462 HB2 GLN 55 HB2 GLN 55 55.151 -10.457 6.608 463 HB3 GLN 55 HB1 GLN 55 53.428 -10.475 6.942 464 HG2 GLN 55 HG2 GLN 55 53.906 -11.123 9.262 465 HG3 GLN 55 HG1 GLN 55 55.632 -11.046 8.910 466 HE21 GLN 55 HE21 GLN 55 56.606 -9.022 8.574 467 HE22 GLN 55 HE22 GLN 55 55.825 -7.565 9.067 468 H HIS 56 HN HIS 56 56.498 -12.273 5.570 469 HA HIS 56 HA HIS 56 57.835 -14.322 7.181 470 HB2 HIS 56 HB2 HIS 56 58.612 -13.079 4.530 471 HB3 HIS 56 HB1 HIS 56 59.544 -14.316 5.365 472 HD1 HIS 56 HD1 HIS 56 58.599 -16.743 5.316 473 HD2 HIS 56 HD2 HIS 56 56.313 -13.979 3.213 474 HE1 HIS 56 HE1 HIS 56 57.001 -18.100 3.941 475 H HIS 57 HN HIS 57 57.459 -12.089 8.568 476 HA HIS 57 HA HIS 57 58.425 -10.536 9.862 477 HB2 HIS 57 HB2 HIS 57 60.961 -11.876 8.919 478 HB3 HIS 57 HB1 HIS 57 60.941 -10.580 10.110 479 HD1 HIS 57 HD1 HIS 57 61.239 -14.036 10.059 480 HD2 HIS 57 HD2 HIS 57 58.848 -11.449 12.256 481 HE1 HIS 57 HE1 HIS 57 60.523 -15.340 12.073 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 56.083 21.393 -5.828 2 H2 ALA 1 HT2 ALA 1 57.079 22.737 -6.039 3 H3 ALA 1 HT3 ALA 1 57.751 21.190 -6.005 4 HA ALA 1 HA ALA 1 55.891 22.230 -8.054 5 HB1 ALA 1 HB1 ALA 1 57.797 22.194 -9.562 6 HB2 ALA 1 HB2 ALA 1 58.842 21.637 -8.255 7 HB3 ALA 1 HB3 ALA 1 58.121 23.244 -8.183 8 H SER 2 HN SER 2 56.726 19.528 -6.325 9 HA SER 2 HA SER 2 56.144 17.783 -8.616 10 HB2 SER 2 HB2 SER 2 58.018 17.165 -6.321 11 HB3 SER 2 HB1 SER 2 57.656 16.106 -7.685 12 HG SER 2 HG SER 2 58.468 17.946 -9.010 13 H MET 3 HN MET 3 54.358 18.946 -6.520 14 HA MET 3 HA MET 3 53.734 16.830 -4.707 15 HB2 MET 3 HB2 MET 3 52.303 19.369 -5.430 16 HB3 MET 3 HB1 MET 3 51.598 18.184 -4.343 17 HG2 MET 3 HG2 MET 3 53.585 18.405 -2.887 18 HG3 MET 3 HG1 MET 3 54.176 19.681 -3.949 19 HE1 MET 3 HE1 MET 3 50.261 19.997 -1.516 20 HE2 MET 3 HE2 MET 3 51.274 18.554 -1.574 21 HE3 MET 3 HE3 MET 3 50.382 19.063 -3.006 22 H GLY 4 HN GLY 4 52.891 14.990 -5.274 23 HA2 GLY 4 HA2 GLY 4 51.548 13.410 -6.236 24 HA3 GLY 4 HA1 GLY 4 50.338 14.678 -6.304 25 H LYS 5 HN LYS 5 53.388 14.019 -8.055 26 HA LYS 5 HA LYS 5 52.252 14.906 -10.534 27 HB2 LYS 5 HB2 LYS 5 54.809 13.390 -9.976 28 HB3 LYS 5 HB1 LYS 5 54.361 14.065 -11.533 29 HG2 LYS 5 HG2 LYS 5 54.447 16.303 -10.629 30 HG3 LYS 5 HG1 LYS 5 54.789 15.663 -9.020 31 HD2 LYS 5 HD2 LYS 5 56.839 16.436 -10.074 32 HD3 LYS 5 HD1 LYS 5 56.879 14.687 -9.869 33 HE2 LYS 5 HE2 LYS 5 56.290 14.374 -12.206 34 HE3 LYS 5 HE1 LYS 5 56.149 16.116 -12.425 35 HZ1 LYS 5 HZ1 LYS 5 58.494 16.344 -11.975 36 HZ2 LYS 5 HZ2 LYS 5 58.263 15.240 -13.231 37 HZ3 LYS 5 HZ3 LYS 5 58.645 14.685 -11.683 38 H SER 6 HN SER 6 53.023 11.849 -9.047 39 HA SER 6 HA SER 6 50.951 10.438 -10.329 40 HB2 SER 6 HB2 SER 6 52.665 10.587 -12.203 41 HB3 SER 6 HB1 SER 6 53.772 9.682 -11.174 42 HG SER 6 HG SER 6 52.142 8.636 -12.821 43 H LYS 7 HN LYS 7 51.934 7.872 -9.986 44 HA LYS 7 HA LYS 7 52.111 7.718 -7.135 45 HB2 LYS 7 HB2 LYS 7 52.383 5.232 -7.567 46 HB3 LYS 7 HB1 LYS 7 50.904 5.961 -8.166 47 HG2 LYS 7 HG2 LYS 7 51.981 6.087 -10.425 48 HG3 LYS 7 HG1 LYS 7 53.323 5.151 -9.764 49 HD2 LYS 7 HD2 LYS 7 51.766 3.681 -10.910 50 HD3 LYS 7 HD1 LYS 7 51.742 3.350 -9.176 51 HE2 LYS 7 HE2 LYS 7 49.701 4.649 -8.932 52 HE3 LYS 7 HE1 LYS 7 49.747 5.079 -10.640 53 HZ1 LYS 7 HZ1 LYS 7 49.450 2.333 -9.563 54 HZ2 LYS 7 HZ2 LYS 7 49.442 2.759 -11.199 55 HZ3 LYS 7 HZ3 LYS 7 48.198 3.278 -10.185 56 H GLU 8 HN GLU 8 53.885 8.462 -6.248 57 HA GLU 8 HA GLU 8 56.386 8.595 -7.467 58 HB2 GLU 8 HB2 GLU 8 55.796 8.717 -4.510 59 HB3 GLU 8 HB1 GLU 8 57.230 9.341 -5.317 60 HG2 GLU 8 HG2 GLU 8 55.759 10.882 -6.596 61 HG3 GLU 8 HG1 GLU 8 54.406 10.331 -5.615 62 H ILE 9 HN ILE 9 55.658 6.608 -4.573 63 HA ILE 9 HA ILE 9 57.458 4.591 -5.727 64 HB ILE 9 HB ILE 9 57.304 5.260 -2.772 65 HG12 ILE 9 HG12 ILE 9 59.848 5.767 -3.280 66 HG13 ILE 9 HG11 ILE 9 59.239 6.081 -4.900 67 HG21 ILE 9 HG21 ILE 9 59.129 3.688 -2.500 68 HG22 ILE 9 HG22 ILE 9 59.127 3.360 -4.231 69 HG23 ILE 9 HG23 ILE 9 57.741 2.896 -3.246 70 HD11 ILE 9 HD11 ILE 9 57.710 7.756 -3.984 71 HD12 ILE 9 HD12 ILE 9 59.395 8.128 -3.622 72 HD13 ILE 9 HD13 ILE 9 58.353 7.449 -2.371 73 H SER 10 HN SER 10 56.485 2.713 -6.020 74 HA SER 10 HA SER 10 53.834 2.219 -5.268 75 HB2 SER 10 HB2 SER 10 55.925 0.171 -6.042 76 HB3 SER 10 HB1 SER 10 54.174 -0.012 -6.158 77 HG SER 10 HG SER 10 55.904 1.141 -7.886 78 H GLN 11 HN GLN 11 56.902 1.123 -3.862 79 HA GLN 11 HA GLN 11 55.818 -0.574 -1.889 80 HB2 GLN 11 HB2 GLN 11 58.212 -0.541 -2.544 81 HB3 GLN 11 HB1 GLN 11 58.383 1.023 -1.764 82 HG2 GLN 11 HG2 GLN 11 57.745 -0.028 0.384 83 HG3 GLN 11 HG1 GLN 11 57.716 -1.591 -0.430 84 HE21 GLN 11 HE21 GLN 11 59.695 0.977 0.783 85 HE22 GLN 11 HE22 GLN 11 61.207 0.142 0.667 86 H ASP 12 HN ASP 12 56.567 2.856 -1.902 87 HA ASP 12 HA ASP 12 56.050 3.403 0.807 88 HB2 ASP 12 HB2 ASP 12 57.239 4.972 -0.669 89 HB3 ASP 12 HB1 ASP 12 55.769 5.199 -1.609 90 H LEU 13 HN LEU 13 54.026 3.733 -2.084 91 HA LEU 13 HA LEU 13 51.682 4.566 -0.806 92 HB2 LEU 13 HB2 LEU 13 52.226 4.612 -3.284 93 HB3 LEU 13 HB1 LEU 13 51.846 2.908 -3.330 94 HG LEU 13 HG LEU 13 50.047 4.477 -4.167 95 HD11 LEU 13 HD11 LEU 13 49.522 2.182 -3.587 96 HD12 LEU 13 HD12 LEU 13 48.201 3.259 -3.133 97 HD13 LEU 13 HD13 LEU 13 49.299 2.643 -1.898 98 HD21 LEU 13 HD21 LEU 13 50.305 6.213 -2.462 99 HD22 LEU 13 HD22 LEU 13 49.725 5.089 -1.231 100 HD23 LEU 13 HD23 LEU 13 48.651 5.607 -2.528 101 H ARG 14 HN ARG 14 52.832 1.309 -1.620 102 HA ARG 14 HA ARG 14 50.582 -0.141 -0.818 103 HB2 ARG 14 HB2 ARG 14 53.497 -0.837 -0.976 104 HB3 ARG 14 HB1 ARG 14 52.325 -1.997 -0.371 105 HG2 ARG 14 HG2 ARG 14 52.202 -0.688 -3.081 106 HG3 ARG 14 HG1 ARG 14 52.859 -2.295 -2.761 107 HD2 ARG 14 HD2 ARG 14 50.634 -2.907 -1.782 108 HD3 ARG 14 HD1 ARG 14 50.024 -1.359 -2.360 109 HE ARG 14 HE ARG 14 50.415 -2.117 -4.613 110 HH11 ARG 14 HH11 ARG 14 50.690 -4.600 -2.139 111 HH12 ARG 14 HH12 ARG 14 50.283 -5.893 -3.215 112 HH21 ARG 14 HH21 ARG 14 49.876 -3.855 -6.043 113 HH22 ARG 14 HH22 ARG 14 49.821 -5.472 -5.425 114 H LYS 15 HN LYS 15 53.459 0.730 1.067 115 HA LYS 15 HA LYS 15 52.515 -0.490 3.459 116 HB2 LYS 15 HB2 LYS 15 54.899 -0.052 3.021 117 HB3 LYS 15 HB1 LYS 15 54.583 1.676 3.075 118 HG2 LYS 15 HG2 LYS 15 53.808 1.372 5.434 119 HG3 LYS 15 HG1 LYS 15 54.383 -0.293 5.337 120 HD2 LYS 15 HD2 LYS 15 56.068 1.113 6.380 121 HD3 LYS 15 HD1 LYS 15 56.643 0.540 4.813 122 HE2 LYS 15 HE2 LYS 15 56.105 2.668 3.795 123 HE3 LYS 15 HE1 LYS 15 55.386 3.241 5.296 124 HZ1 LYS 15 HZ1 LYS 15 58.237 2.513 4.942 125 HZ2 LYS 15 HZ2 LYS 15 57.534 3.160 6.339 126 HZ3 LYS 15 HZ3 LYS 15 57.626 4.089 4.929 127 H LYS 16 HN LYS 16 52.389 2.745 2.119 128 HA LYS 16 HA LYS 16 51.487 4.123 4.381 129 HB2 LYS 16 HB2 LYS 16 52.469 5.151 2.370 130 HB3 LYS 16 HB1 LYS 16 51.014 4.759 1.478 131 HG2 LYS 16 HG2 LYS 16 49.732 6.329 2.641 132 HG3 LYS 16 HG1 LYS 16 50.928 6.474 3.932 133 HD2 LYS 16 HD2 LYS 16 51.478 7.263 1.077 134 HD3 LYS 16 HD1 LYS 16 50.865 8.391 2.290 135 HE2 LYS 16 HE2 LYS 16 52.817 8.225 3.589 136 HE3 LYS 16 HE1 LYS 16 53.359 6.772 2.758 137 HZ1 LYS 16 HZ1 LYS 16 53.117 9.394 1.407 138 HZ2 LYS 16 HZ2 LYS 16 53.924 8.000 0.861 139 HZ3 LYS 16 HZ3 LYS 16 54.531 8.874 2.169 140 H ILE 17 HN ILE 17 49.653 2.664 1.692 141 HA ILE 17 HA ILE 17 47.141 3.528 2.602 142 HB ILE 17 HB ILE 17 47.521 2.614 0.310 143 HG12 ILE 17 HG12 ILE 17 45.400 1.294 0.166 144 HG13 ILE 17 HG11 ILE 17 45.355 1.257 1.924 145 HG21 ILE 17 HG21 ILE 17 47.516 0.193 -0.058 146 HG22 ILE 17 HG22 ILE 17 47.594 -0.063 1.686 147 HG23 ILE 17 HG23 ILE 17 48.934 0.722 0.850 148 HD11 ILE 17 HD11 ILE 17 43.883 2.966 1.004 149 HD12 ILE 17 HD12 ILE 17 45.264 3.737 0.223 150 HD13 ILE 17 HD13 ILE 17 45.166 3.676 1.982 151 H VAL 18 HN VAL 18 49.174 0.876 3.568 152 HA VAL 18 HA VAL 18 47.191 -0.569 5.002 153 HB VAL 18 HB VAL 18 50.207 -0.609 5.271 154 HG11 VAL 18 HG11 VAL 18 49.908 -2.730 6.462 155 HG12 VAL 18 HG12 VAL 18 48.159 -2.516 6.402 156 HG13 VAL 18 HG13 VAL 18 49.152 -1.393 7.330 157 HG21 VAL 18 HG21 VAL 18 50.047 -2.701 4.004 158 HG22 VAL 18 HG22 VAL 18 49.409 -1.336 3.087 159 HG23 VAL 18 HG23 VAL 18 48.304 -2.475 3.858 160 H ASP 19 HN ASP 19 49.802 1.643 6.098 161 HA ASP 19 HA ASP 19 48.982 1.502 8.800 162 HB2 ASP 19 HB2 ASP 19 50.510 3.298 9.283 163 HB3 ASP 19 HB1 ASP 19 51.268 2.201 8.144 164 H LEU 20 HN LEU 20 48.018 3.597 6.175 165 HA LEU 20 HA LEU 20 46.607 5.448 7.789 166 HB2 LEU 20 HB2 LEU 20 46.235 4.710 4.889 167 HB3 LEU 20 HB1 LEU 20 45.412 6.041 5.679 168 HG LEU 20 HG LEU 20 48.393 5.793 5.268 169 HD11 LEU 20 HD11 LEU 20 46.376 7.650 4.030 170 HD12 LEU 20 HD12 LEU 20 47.169 6.295 3.225 171 HD13 LEU 20 HD13 LEU 20 48.119 7.681 3.761 172 HD21 LEU 20 HD21 LEU 20 47.939 6.937 7.351 173 HD22 LEU 20 HD22 LEU 20 46.765 7.982 6.552 174 HD23 LEU 20 HD23 LEU 20 48.475 8.100 6.138 175 H HIS 21 HN HIS 21 45.924 2.232 6.849 176 HA HIS 21 HA HIS 21 43.079 2.407 7.231 177 HB2 HIS 21 HB2 HIS 21 45.007 0.213 6.690 178 HB3 HIS 21 HB1 HIS 21 43.524 -0.233 7.529 179 HD1 HIS 21 HD1 HIS 21 44.627 1.474 4.324 180 HD2 HIS 21 HD2 HIS 21 41.376 -0.575 5.898 181 HE1 HIS 21 HE1 HIS 21 43.000 1.232 2.426 182 H LYS 22 HN LYS 22 45.833 2.077 9.240 183 HA LYS 22 HA LYS 22 44.258 1.230 11.533 184 HB2 LYS 22 HB2 LYS 22 47.164 1.989 11.223 185 HB3 LYS 22 HB1 LYS 22 46.434 1.720 12.795 186 HG2 LYS 22 HG2 LYS 22 47.520 -0.288 12.238 187 HG3 LYS 22 HG1 LYS 22 45.806 -0.587 11.964 188 HD2 LYS 22 HD2 LYS 22 46.083 -0.315 9.593 189 HD3 LYS 22 HD1 LYS 22 47.760 0.189 9.807 190 HE2 LYS 22 HE2 LYS 22 46.621 -2.525 10.465 191 HE3 LYS 22 HE1 LYS 22 47.626 -2.131 9.073 192 HZ1 LYS 22 HZ1 LYS 22 48.419 -2.093 11.930 193 HZ2 LYS 22 HZ2 LYS 22 49.373 -1.443 10.703 194 HZ3 LYS 22 HZ3 LYS 22 49.019 -3.094 10.712 195 H SER 23 HN SER 23 45.454 4.116 10.062 196 HA SER 23 HA SER 23 45.188 5.887 12.230 197 HB2 SER 23 HB2 SER 23 44.874 6.527 9.294 198 HB3 SER 23 HB1 SER 23 45.362 7.628 10.582 199 HG SER 23 HG SER 23 47.313 7.028 10.153 200 H GLY 24 HN GLY 24 42.978 5.140 9.525 201 HA2 GLY 24 HA2 GLY 24 40.643 4.881 9.773 202 HA3 GLY 24 HA1 GLY 24 40.733 5.743 11.298 203 H SER 25 HN SER 25 41.160 8.100 11.164 204 HA SER 25 HA SER 25 39.279 9.338 9.501 205 HB2 SER 25 HB2 SER 25 41.595 10.700 10.886 206 HB3 SER 25 HB1 SER 25 40.067 11.430 10.401 207 HG SER 25 HG SER 25 40.655 10.198 12.679 208 H SER 26 HN SER 26 42.782 9.056 9.172 209 HA SER 26 HA SER 26 43.063 10.806 6.987 210 HB2 SER 26 HB2 SER 26 44.943 10.038 8.427 211 HB3 SER 26 HB1 SER 26 44.821 8.444 7.683 212 HG SER 26 HG SER 26 45.131 9.643 5.628 213 H LEU 27 HN LEU 27 41.834 7.593 7.176 214 HA LEU 27 HA LEU 27 42.365 6.776 4.515 215 HB2 LEU 27 HB2 LEU 27 41.740 5.191 6.278 216 HB3 LEU 27 HB1 LEU 27 40.159 5.933 6.402 217 HG LEU 27 HG LEU 27 39.627 5.180 4.118 218 HD11 LEU 27 HD11 LEU 27 41.841 5.149 3.158 219 HD12 LEU 27 HD12 LEU 27 41.107 3.552 3.015 220 HD13 LEU 27 HD13 LEU 27 42.330 3.854 4.249 221 HD21 LEU 27 HD21 LEU 27 40.588 2.986 5.952 222 HD22 LEU 27 HD22 LEU 27 39.437 2.795 4.629 223 HD23 LEU 27 HD23 LEU 27 39.019 3.787 6.026 224 H GLY 28 HN GLY 28 39.718 8.543 6.044 225 HA2 GLY 28 HA2 GLY 28 38.090 8.670 3.704 226 HA3 GLY 28 HA1 GLY 28 37.925 9.675 5.138 227 H ALA 29 HN ALA 29 40.704 10.559 4.988 228 HA ALA 29 HA ALA 29 40.349 12.878 3.419 229 HB1 ALA 29 HB1 ALA 29 42.661 13.402 4.029 230 HB2 ALA 29 HB2 ALA 29 42.872 11.762 4.641 231 HB3 ALA 29 HB3 ALA 29 41.736 12.857 5.428 232 H ILE 30 HN ILE 30 42.482 10.046 3.006 233 HA ILE 30 HA ILE 30 43.480 10.923 0.504 234 HB ILE 30 HB ILE 30 44.377 8.649 0.222 235 HG12 ILE 30 HG12 ILE 30 42.965 8.026 2.826 236 HG13 ILE 30 HG11 ILE 30 42.464 7.435 1.246 237 HG21 ILE 30 HG21 ILE 30 44.768 9.791 2.986 238 HG22 ILE 30 HG22 ILE 30 45.621 10.284 1.524 239 HG23 ILE 30 HG23 ILE 30 45.855 8.663 2.175 240 HD11 ILE 30 HD11 ILE 30 43.687 5.744 2.482 241 HD12 ILE 30 HD12 ILE 30 45.071 6.826 2.616 242 HD13 ILE 30 HD13 ILE 30 44.571 6.226 1.035 243 H SER 31 HN SER 31 40.632 9.159 1.418 244 HA SER 31 HA SER 31 40.069 8.049 -1.122 245 HB2 SER 31 HB2 SER 31 38.212 8.766 1.157 246 HB3 SER 31 HB1 SER 31 37.742 7.827 -0.261 247 HG SER 31 HG SER 31 39.616 7.137 1.762 248 H LYS 32 HN LYS 32 39.608 11.195 0.265 249 HA LYS 32 HA LYS 32 37.839 12.038 -1.873 250 HB2 LYS 32 HB2 LYS 32 37.404 12.837 0.391 251 HB3 LYS 32 HB1 LYS 32 39.006 13.556 0.464 252 HG2 LYS 32 HG2 LYS 32 38.391 15.092 -1.343 253 HG3 LYS 32 HG1 LYS 32 36.779 14.377 -1.389 254 HD2 LYS 32 HD2 LYS 32 36.389 15.077 0.913 255 HD3 LYS 32 HD1 LYS 32 38.015 15.758 0.990 256 HE2 LYS 32 HE2 LYS 32 37.446 17.323 -0.793 257 HE3 LYS 32 HE1 LYS 32 35.826 16.636 -0.883 258 HZ1 LYS 32 HZ1 LYS 32 36.986 18.005 1.478 259 HZ2 LYS 32 HZ2 LYS 32 35.426 17.364 1.378 260 HZ3 LYS 32 HZ3 LYS 32 35.868 18.673 0.402 261 H ARG 33 HN ARG 33 41.125 12.700 -0.727 262 HA ARG 33 HA ARG 33 41.602 14.619 -2.821 263 HB2 ARG 33 HB2 ARG 33 43.538 13.423 -0.838 264 HB3 ARG 33 HB1 ARG 33 43.849 14.809 -1.874 265 HG2 ARG 33 HG2 ARG 33 41.794 14.652 0.323 266 HG3 ARG 33 HG1 ARG 33 43.322 15.531 0.376 267 HD2 ARG 33 HD2 ARG 33 42.587 17.021 -1.362 268 HD3 ARG 33 HD1 ARG 33 41.129 16.066 -1.619 269 HE ARG 33 HE ARG 33 41.171 16.897 1.046 270 HH11 ARG 33 HH11 ARG 33 40.824 18.267 -2.166 271 HH12 ARG 33 HH12 ARG 33 39.848 19.589 -1.632 272 HH21 ARG 33 HH21 ARG 33 39.855 18.633 1.743 273 HH22 ARG 33 HH22 ARG 33 39.287 19.797 0.596 274 H LEU 34 HN LEU 34 42.714 11.308 -2.155 275 HA LEU 34 HA LEU 34 44.105 11.314 -4.722 276 HB2 LEU 34 HB2 LEU 34 44.062 9.325 -2.455 277 HB3 LEU 34 HB1 LEU 34 44.804 8.973 -3.998 278 HG LEU 34 HG LEU 34 46.545 9.577 -2.509 279 HD11 LEU 34 HD11 LEU 34 47.534 11.522 -3.557 280 HD12 LEU 34 HD12 LEU 34 45.971 11.973 -4.233 281 HD13 LEU 34 HD13 LEU 34 46.761 10.485 -4.757 282 HD21 LEU 34 HD21 LEU 34 45.243 10.692 -0.788 283 HD22 LEU 34 HD22 LEU 34 44.983 12.073 -1.853 284 HD23 LEU 34 HD23 LEU 34 46.607 11.696 -1.277 285 H LYS 35 HN LYS 35 41.220 10.195 -3.233 286 HA LYS 35 HA LYS 35 39.437 9.029 -3.946 287 HB2 LYS 35 HB2 LYS 35 40.488 9.884 -6.644 288 HB3 LYS 35 HB1 LYS 35 38.920 9.130 -6.392 289 HG2 LYS 35 HG2 LYS 35 38.202 10.985 -5.031 290 HG3 LYS 35 HG1 LYS 35 39.800 11.723 -5.145 291 HD2 LYS 35 HD2 LYS 35 39.538 12.019 -7.528 292 HD3 LYS 35 HD1 LYS 35 37.997 11.162 -7.493 293 HE2 LYS 35 HE2 LYS 35 37.699 13.591 -7.594 294 HE3 LYS 35 HE1 LYS 35 37.023 12.907 -6.120 295 HZ1 LYS 35 HZ1 LYS 35 39.662 14.239 -6.333 296 HZ2 LYS 35 HZ2 LYS 35 38.962 13.656 -4.908 297 HZ3 LYS 35 HZ3 LYS 35 38.262 14.957 -5.727 298 H VAL 36 HN VAL 36 40.734 7.214 -3.060 299 HA VAL 36 HA VAL 36 41.863 5.393 -4.959 300 HB VAL 36 HB VAL 36 42.076 3.834 -3.007 301 HG11 VAL 36 HG11 VAL 36 43.151 6.623 -2.600 302 HG12 VAL 36 HG12 VAL 36 43.880 5.356 -3.588 303 HG13 VAL 36 HG13 VAL 36 43.778 5.160 -1.838 304 HG21 VAL 36 HG21 VAL 36 40.136 4.598 -1.717 305 HG22 VAL 36 HG22 VAL 36 40.925 6.152 -1.445 306 HG23 VAL 36 HG23 VAL 36 41.613 4.681 -0.756 307 HA PRO 37 HA PRO 37 38.053 3.448 -6.090 308 HB2 PRO 37 HB2 PRO 37 39.174 1.145 -7.110 309 HB3 PRO 37 HB1 PRO 37 39.025 2.662 -8.003 310 HG2 PRO 37 HG2 PRO 37 41.389 1.517 -6.592 311 HG3 PRO 37 HG1 PRO 37 41.317 2.423 -8.112 312 HD2 PRO 37 HD2 PRO 37 42.119 3.533 -5.784 313 HD3 PRO 37 HD1 PRO 37 41.275 4.456 -7.042 314 H ARG 38 HN ARG 38 36.743 2.495 -4.707 315 HA ARG 38 HA ARG 38 37.564 1.186 -2.377 316 HB2 ARG 38 HB2 ARG 38 34.904 1.336 -3.765 317 HB3 ARG 38 HB1 ARG 38 35.113 0.365 -2.319 318 HG2 ARG 38 HG2 ARG 38 34.215 2.500 -1.702 319 HG3 ARG 38 HG1 ARG 38 35.874 2.396 -1.117 320 HD2 ARG 38 HD2 ARG 38 36.630 3.726 -3.022 321 HD3 ARG 38 HD1 ARG 38 34.976 3.799 -3.628 322 HE ARG 38 HE ARG 38 35.160 4.778 -0.971 323 HH11 ARG 38 HH11 ARG 38 35.829 5.666 -4.293 324 HH12 ARG 38 HH12 ARG 38 35.585 7.360 -4.032 325 HH21 ARG 38 HH21 ARG 38 34.846 7.028 -0.609 326 HH22 ARG 38 HH22 ARG 38 35.023 8.131 -1.928 327 H SER 39 HN SER 39 36.724 -0.102 -5.525 328 HA SER 39 HA SER 39 36.506 -2.801 -4.854 329 HB2 SER 39 HB2 SER 39 37.659 -1.654 -7.404 330 HB3 SER 39 HB1 SER 39 36.951 -3.254 -7.193 331 HG SER 39 HG SER 39 35.016 -1.944 -6.461 332 H SER 40 HN SER 40 39.349 -0.810 -5.532 333 HA SER 40 HA SER 40 41.169 -3.007 -5.368 334 HB2 SER 40 HB2 SER 40 41.730 -0.037 -5.225 335 HB3 SER 40 HB1 SER 40 42.911 -1.309 -5.539 336 HG SER 40 HG SER 40 41.572 -1.839 -7.411 337 H VAL 41 HN VAL 41 39.896 -0.577 -3.192 338 HA VAL 41 HA VAL 41 41.688 -0.879 -1.060 339 HB VAL 41 HB VAL 41 38.731 -0.214 -0.946 340 HG11 VAL 41 HG11 VAL 41 39.227 0.793 1.235 341 HG12 VAL 41 HG12 VAL 41 40.887 0.210 1.125 342 HG13 VAL 41 HG13 VAL 41 39.554 -0.939 1.233 343 HG21 VAL 41 HG21 VAL 41 39.995 1.346 -2.324 344 HG22 VAL 41 HG22 VAL 41 41.157 1.579 -1.019 345 HG23 VAL 41 HG23 VAL 41 39.490 2.116 -0.820 346 H GLN 42 HN GLN 42 38.643 -2.558 -1.766 347 HA GLN 42 HA GLN 42 38.649 -4.226 0.493 348 HB2 GLN 42 HB2 GLN 42 37.435 -4.697 -2.231 349 HB3 GLN 42 HB1 GLN 42 37.071 -5.635 -0.789 350 HG2 GLN 42 HG2 GLN 42 36.176 -3.652 0.296 351 HG3 GLN 42 HG1 GLN 42 36.572 -2.688 -1.125 352 HE21 GLN 42 HE21 GLN 42 34.469 -5.086 0.210 353 HE22 GLN 42 HE22 GLN 42 33.271 -5.020 -1.033 354 H THR 43 HN THR 43 40.337 -4.433 -2.530 355 HA THR 43 HA THR 43 41.080 -7.171 -2.293 356 HB THR 43 HB THR 43 42.431 -4.994 -3.908 357 HG1 THR 43 HG1 THR 43 40.866 -5.232 -5.345 358 HG21 THR 43 HG21 THR 43 42.379 -8.001 -4.250 359 HG22 THR 43 HG22 THR 43 43.751 -7.057 -3.668 360 HG23 THR 43 HG23 THR 43 43.179 -6.851 -5.323 361 H ILE 44 HN ILE 44 42.697 -4.069 -1.577 362 HA ILE 44 HA ILE 44 45.076 -5.382 -0.718 363 HB ILE 44 HB ILE 44 45.874 -3.153 0.027 364 HG12 ILE 44 HG12 ILE 44 44.356 -1.222 -0.971 365 HG13 ILE 44 HG11 ILE 44 43.066 -2.376 -0.660 366 HG21 ILE 44 HG21 ILE 44 44.765 -3.291 -2.767 367 HG22 ILE 44 HG22 ILE 44 46.315 -3.923 -2.212 368 HG23 ILE 44 HG23 ILE 44 46.024 -2.183 -2.221 369 HD11 ILE 44 HD11 ILE 44 43.707 -2.450 1.697 370 HD12 ILE 44 HD12 ILE 44 43.311 -0.812 1.177 371 HD13 ILE 44 HD13 ILE 44 44.996 -1.289 1.379 372 H VAL 45 HN VAL 45 42.175 -4.360 0.943 373 HA VAL 45 HA VAL 45 43.314 -4.405 3.540 374 HB VAL 45 HB VAL 45 41.021 -4.644 4.429 375 HG11 VAL 45 HG11 VAL 45 40.124 -2.541 3.573 376 HG12 VAL 45 HG12 VAL 45 41.283 -2.597 2.246 377 HG13 VAL 45 HG13 VAL 45 41.852 -2.440 3.907 378 HG21 VAL 45 HG21 VAL 45 40.029 -6.098 2.791 379 HG22 VAL 45 HG22 VAL 45 40.235 -4.880 1.535 380 HG23 VAL 45 HG23 VAL 45 39.105 -4.596 2.859 381 H ARG 46 HN ARG 46 41.823 -6.887 1.543 382 HA ARG 46 HA ARG 46 42.015 -8.938 3.522 383 HB2 ARG 46 HB2 ARG 46 41.891 -9.216 0.510 384 HB3 ARG 46 HB1 ARG 46 41.575 -10.486 1.678 385 HG2 ARG 46 HG2 ARG 46 39.936 -7.997 1.263 386 HG3 ARG 46 HG1 ARG 46 39.515 -9.629 0.745 387 HD2 ARG 46 HD2 ARG 46 39.501 -10.344 3.099 388 HD3 ARG 46 HD1 ARG 46 39.870 -8.691 3.589 389 HE ARG 46 HE ARG 46 37.544 -8.877 1.936 390 HH11 ARG 46 HH11 ARG 46 38.711 -9.119 5.234 391 HH12 ARG 46 HH12 ARG 46 37.172 -8.790 5.941 392 HH21 ARG 46 HH21 ARG 46 35.503 -8.453 2.872 393 HH22 ARG 46 HH22 ARG 46 35.338 -8.414 4.593 394 H LYS 47 HN LYS 47 44.063 -7.566 1.113 395 HA LYS 47 HA LYS 47 45.980 -9.602 0.883 396 HB2 LYS 47 HB2 LYS 47 45.724 -7.789 -0.754 397 HB3 LYS 47 HB1 LYS 47 46.279 -6.630 0.443 398 HG2 LYS 47 HG2 LYS 47 48.068 -7.125 -1.075 399 HG3 LYS 47 HG1 LYS 47 48.455 -7.794 0.510 400 HD2 LYS 47 HD2 LYS 47 47.738 -10.005 -0.243 401 HD3 LYS 47 HD1 LYS 47 47.321 -9.338 -1.823 402 HE2 LYS 47 HE2 LYS 47 49.666 -8.685 -2.145 403 HE3 LYS 47 HE1 LYS 47 50.067 -9.387 -0.579 404 HZ1 LYS 47 HZ1 LYS 47 50.588 -10.895 -2.369 405 HZ2 LYS 47 HZ2 LYS 47 48.992 -10.861 -2.917 406 HZ3 LYS 47 HZ3 LYS 47 49.359 -11.535 -1.407 407 H TYR 48 HN TYR 48 46.243 -6.481 2.654 408 HA TYR 48 HA TYR 48 48.696 -7.232 3.834 409 HB2 TYR 48 HB2 TYR 48 48.692 -5.189 4.985 410 HB3 TYR 48 HB1 TYR 48 47.769 -4.843 3.536 411 HD1 TYR 48 HD1 TYR 48 47.510 -5.476 7.178 412 HD2 TYR 48 HD2 TYR 48 45.488 -4.080 3.698 413 HE1 TYR 48 HE1 TYR 48 45.713 -4.576 8.587 414 HE2 TYR 48 HE2 TYR 48 43.687 -3.184 5.108 415 HH TYR 48 HH TYR 48 42.733 -3.563 7.327 416 H LYS 49 HN LYS 49 45.401 -7.707 4.830 417 HA LYS 49 HA LYS 49 45.987 -8.347 7.531 418 HB2 LYS 49 HB2 LYS 49 43.735 -7.683 6.790 419 HB3 LYS 49 HB1 LYS 49 43.613 -9.163 5.851 420 HG2 LYS 49 HG2 LYS 49 43.855 -10.453 7.959 421 HG3 LYS 49 HG1 LYS 49 43.800 -8.929 8.844 422 HD2 LYS 49 HD2 LYS 49 41.584 -8.474 7.959 423 HD3 LYS 49 HD1 LYS 49 41.638 -9.962 7.010 424 HE2 LYS 49 HE2 LYS 49 41.906 -11.222 9.150 425 HE3 LYS 49 HE1 LYS 49 41.638 -9.709 10.013 426 HZ1 LYS 49 HZ1 LYS 49 39.609 -10.979 9.850 427 HZ2 LYS 49 HZ2 LYS 49 39.726 -11.019 8.165 428 HZ3 LYS 49 HZ3 LYS 49 39.464 -9.551 8.957 429 H HIS 50 HN HIS 50 45.349 -10.362 4.659 430 HA HIS 50 HA HIS 50 45.773 -12.802 6.072 431 HB2 HIS 50 HB2 HIS 50 44.396 -12.539 3.967 432 HB3 HIS 50 HB1 HIS 50 45.913 -12.431 3.080 433 HD1 HIS 50 HD1 HIS 50 46.821 -14.600 2.266 434 HD2 HIS 50 HD2 HIS 50 44.184 -15.104 5.438 435 HE1 HIS 50 HE1 HIS 50 46.571 -17.082 2.545 436 H HIS 51 HN HIS 51 47.808 -10.710 4.107 437 HA HIS 51 HA HIS 51 50.012 -12.465 3.917 438 HB2 HIS 51 HB2 HIS 51 49.675 -10.364 2.557 439 HB3 HIS 51 HB1 HIS 51 50.108 -9.440 3.989 440 HD1 HIS 51 HD1 HIS 51 51.552 -11.420 1.212 441 HD2 HIS 51 HD2 HIS 51 52.864 -9.616 4.721 442 HE1 HIS 51 HE1 HIS 51 54.054 -11.374 1.045 443 H GLY 52 HN GLY 52 48.962 -10.138 6.323 444 HA2 GLY 52 HA2 GLY 52 51.299 -10.295 7.944 445 HA3 GLY 52 HA1 GLY 52 49.740 -9.639 8.420 446 H THR 53 HN THR 53 48.691 -12.427 7.465 447 HA THR 53 HA THR 53 48.792 -13.631 10.077 448 HB THR 53 HB THR 53 47.572 -14.745 7.534 449 HG1 THR 53 HG1 THR 53 46.743 -12.771 9.322 450 HG21 THR 53 HG21 THR 53 47.853 -16.394 9.329 451 HG22 THR 53 HG22 THR 53 46.148 -16.014 9.083 452 HG23 THR 53 HG23 THR 53 47.017 -15.320 10.450 453 H THR 54 HN THR 54 50.107 -14.233 6.873 454 HA THR 54 HA THR 54 51.372 -16.708 7.680 455 HB THR 54 HB THR 54 51.694 -15.195 5.078 456 HG1 THR 54 HG1 THR 54 49.798 -17.188 5.847 457 HG21 THR 54 HG21 THR 54 53.378 -16.939 5.481 458 HG22 THR 54 HG22 THR 54 52.283 -17.407 4.181 459 HG23 THR 54 HG23 THR 54 52.095 -18.110 5.787 460 H GLN 55 HN GLN 55 52.438 -13.496 6.535 461 HA GLN 55 HA GLN 55 55.166 -14.104 7.429 462 HB2 GLN 55 HB2 GLN 55 54.110 -11.846 5.714 463 HB3 GLN 55 HB1 GLN 55 55.800 -12.114 6.111 464 HG2 GLN 55 HG2 GLN 55 54.082 -14.059 4.589 465 HG3 GLN 55 HG1 GLN 55 55.149 -12.872 3.843 466 HE21 GLN 55 HE21 GLN 55 57.225 -13.153 5.845 467 HE22 GLN 55 HE22 GLN 55 57.986 -14.673 5.542 468 H HIS 56 HN HIS 56 56.233 -12.791 8.905 469 HA HIS 56 HA HIS 56 54.530 -11.222 10.629 470 HB2 HIS 56 HB2 HIS 56 56.221 -12.633 11.684 471 HB3 HIS 56 HB1 HIS 56 57.498 -11.821 10.784 472 HD1 HIS 56 HD1 HIS 56 58.738 -10.249 12.233 473 HD2 HIS 56 HD2 HIS 56 54.719 -10.442 13.280 474 HE1 HIS 56 HE1 HIS 56 58.464 -8.641 14.139 475 H HIS 57 HN HIS 57 53.949 -9.352 9.766 476 HA HIS 57 HA HIS 57 55.877 -7.744 8.311 477 HB2 HIS 57 HB2 HIS 57 53.514 -8.114 7.499 478 HB3 HIS 57 HB1 HIS 57 52.965 -7.151 8.865 479 HD1 HIS 57 HD1 HIS 57 55.055 -6.828 5.736 480 HD2 HIS 57 HD2 HIS 57 52.976 -4.453 8.433 481 HE1 HIS 57 HE1 HIS 57 55.075 -4.521 4.743 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 53.753 17.645 -19.184 2 H2 ALA 1 HT2 ALA 1 52.067 17.463 -19.177 3 H3 ALA 1 HT3 ALA 1 53.046 16.255 -19.834 4 HA ALA 1 HA ALA 1 53.017 17.069 -16.999 5 HB1 ALA 1 HB1 ALA 1 51.962 14.895 -16.585 6 HB2 ALA 1 HB2 ALA 1 51.888 14.603 -18.324 7 HB3 ALA 1 HB3 ALA 1 50.958 15.920 -17.609 8 H SER 2 HN SER 2 55.026 16.870 -16.290 9 HA SER 2 HA SER 2 56.798 14.899 -17.476 10 HB2 SER 2 HB2 SER 2 57.580 17.238 -17.107 11 HB3 SER 2 HB1 SER 2 57.376 17.006 -15.374 12 HG SER 2 HG SER 2 59.100 15.491 -17.054 13 H MET 3 HN MET 3 58.051 13.479 -16.093 14 HA MET 3 HA MET 3 56.564 12.690 -13.682 15 HB2 MET 3 HB2 MET 3 57.350 10.389 -14.085 16 HB3 MET 3 HB1 MET 3 56.371 10.988 -15.414 17 HG2 MET 3 HG2 MET 3 58.343 11.376 -16.749 18 HG3 MET 3 HG1 MET 3 59.382 10.920 -15.400 19 HE1 MET 3 HE1 MET 3 59.697 8.470 -14.525 20 HE2 MET 3 HE2 MET 3 58.731 7.098 -15.067 21 HE3 MET 3 HE3 MET 3 57.973 8.406 -14.160 22 H GLY 4 HN GLY 4 57.697 12.291 -11.834 23 HA2 GLY 4 HA2 GLY 4 60.421 13.311 -11.810 24 HA3 GLY 4 HA1 GLY 4 59.421 12.965 -10.403 25 H LYS 5 HN LYS 5 58.919 10.629 -10.070 26 HA LYS 5 HA LYS 5 61.000 8.841 -11.025 27 HB2 LYS 5 HB2 LYS 5 61.863 9.877 -8.959 28 HB3 LYS 5 HB1 LYS 5 60.451 9.300 -8.092 29 HG2 LYS 5 HG2 LYS 5 61.119 6.996 -8.497 30 HG3 LYS 5 HG1 LYS 5 62.517 7.554 -9.419 31 HD2 LYS 5 HD2 LYS 5 61.989 8.127 -6.502 32 HD3 LYS 5 HD1 LYS 5 63.133 6.936 -7.123 33 HE2 LYS 5 HE2 LYS 5 64.416 8.708 -8.198 34 HE3 LYS 5 HE1 LYS 5 63.252 9.909 -7.644 35 HZ1 LYS 5 HZ1 LYS 5 65.144 9.904 -6.209 36 HZ2 LYS 5 HZ2 LYS 5 65.013 8.245 -5.945 37 HZ3 LYS 5 HZ3 LYS 5 63.822 9.286 -5.357 38 H SER 6 HN SER 6 59.829 7.242 -11.865 39 HA SER 6 HA SER 6 57.892 5.868 -10.214 40 HB2 SER 6 HB2 SER 6 57.043 7.033 -12.880 41 HB3 SER 6 HB1 SER 6 56.060 6.015 -11.829 42 HG SER 6 HG SER 6 57.027 8.121 -10.459 43 H LYS 7 HN LYS 7 58.655 3.870 -10.371 44 HA LYS 7 HA LYS 7 59.274 2.825 -13.056 45 HB2 LYS 7 HB2 LYS 7 60.595 2.165 -10.423 46 HB3 LYS 7 HB1 LYS 7 60.831 1.232 -11.891 47 HG2 LYS 7 HG2 LYS 7 61.779 3.204 -12.985 48 HG3 LYS 7 HG1 LYS 7 61.560 4.125 -11.494 49 HD2 LYS 7 HD2 LYS 7 63.055 2.636 -10.312 50 HD3 LYS 7 HD1 LYS 7 63.211 1.616 -11.743 51 HE2 LYS 7 HE2 LYS 7 64.250 3.470 -12.948 52 HE3 LYS 7 HE1 LYS 7 64.084 4.493 -11.519 53 HZ1 LYS 7 HZ1 LYS 7 66.311 3.528 -11.745 54 HZ2 LYS 7 HZ2 LYS 7 65.651 1.978 -11.624 55 HZ3 LYS 7 HZ3 LYS 7 65.550 3.040 -10.319 56 H GLU 8 HN GLU 8 58.718 1.565 -9.798 57 HA GLU 8 HA GLU 8 56.296 0.251 -10.403 58 HB2 GLU 8 HB2 GLU 8 57.065 -2.077 -10.325 59 HB3 GLU 8 HB1 GLU 8 57.719 -1.235 -11.722 60 HG2 GLU 8 HG2 GLU 8 59.859 -1.021 -10.660 61 HG3 GLU 8 HG1 GLU 8 59.223 -1.680 -9.155 62 H ILE 9 HN ILE 9 59.123 0.662 -8.440 63 HA ILE 9 HA ILE 9 58.356 -0.748 -6.164 64 HB ILE 9 HB ILE 9 60.639 -0.094 -6.404 65 HG12 ILE 9 HG12 ILE 9 59.477 1.515 -4.122 66 HG13 ILE 9 HG11 ILE 9 59.814 -0.213 -4.083 67 HG21 ILE 9 HG21 ILE 9 61.416 2.231 -6.356 68 HG22 ILE 9 HG22 ILE 9 59.740 2.778 -6.371 69 HG23 ILE 9 HG23 ILE 9 60.390 1.889 -7.749 70 HD11 ILE 9 HD11 ILE 9 61.551 1.036 -2.954 71 HD12 ILE 9 HD12 ILE 9 61.844 1.985 -4.412 72 HD13 ILE 9 HD13 ILE 9 62.194 0.256 -4.400 73 H SER 10 HN SER 10 56.231 -0.409 -5.710 74 HA SER 10 HA SER 10 55.365 2.277 -4.941 75 HB2 SER 10 HB2 SER 10 53.700 -0.201 -5.418 76 HB3 SER 10 HB1 SER 10 53.102 1.446 -5.198 77 HG SER 10 HG SER 10 54.804 0.573 -7.301 78 H GLN 11 HN GLN 11 57.039 0.373 -3.313 79 HA GLN 11 HA GLN 11 55.604 -0.799 -1.250 80 HB2 GLN 11 HB2 GLN 11 57.664 -0.644 0.085 81 HB3 GLN 11 HB1 GLN 11 57.955 -1.232 -1.544 82 HG2 GLN 11 HG2 GLN 11 58.708 1.026 -2.189 83 HG3 GLN 11 HG1 GLN 11 58.485 1.547 -0.521 84 HE21 GLN 11 HE21 GLN 11 59.649 -1.616 -1.362 85 HE22 GLN 11 HE22 GLN 11 61.273 -1.377 -0.824 86 H ASP 12 HN ASP 12 56.614 2.566 -1.612 87 HA ASP 12 HA ASP 12 55.888 3.322 1.025 88 HB2 ASP 12 HB2 ASP 12 57.411 4.696 -0.351 89 HB3 ASP 12 HB1 ASP 12 56.075 5.077 -1.432 90 H LEU 13 HN LEU 13 54.219 3.475 -2.086 91 HA LEU 13 HA LEU 13 51.870 4.711 -1.232 92 HB2 LEU 13 HB2 LEU 13 52.576 4.249 -3.607 93 HB3 LEU 13 HB1 LEU 13 52.108 2.581 -3.369 94 HG LEU 13 HG LEU 13 50.110 4.813 -3.030 95 HD11 LEU 13 HD11 LEU 13 49.460 4.478 -5.364 96 HD12 LEU 13 HD12 LEU 13 50.831 3.391 -5.589 97 HD13 LEU 13 HD13 LEU 13 51.107 5.096 -5.232 98 HD21 LEU 13 HD21 LEU 13 49.476 2.586 -2.215 99 HD22 LEU 13 HD22 LEU 13 49.833 1.903 -3.801 100 HD23 LEU 13 HD23 LEU 13 48.510 3.054 -3.614 101 H ARG 14 HN ARG 14 52.737 1.273 -1.326 102 HA ARG 14 HA ARG 14 50.281 0.281 -0.358 103 HB2 ARG 14 HB2 ARG 14 51.986 -1.136 -1.435 104 HB3 ARG 14 HB1 ARG 14 53.049 -0.899 -0.057 105 HG2 ARG 14 HG2 ARG 14 51.422 -2.030 1.386 106 HG3 ARG 14 HG1 ARG 14 50.373 -2.284 -0.010 107 HD2 ARG 14 HD2 ARG 14 51.667 -4.287 0.465 108 HD3 ARG 14 HD1 ARG 14 52.128 -3.595 -1.089 109 HE ARG 14 HE ARG 14 53.704 -3.070 1.337 110 HH11 ARG 14 HH11 ARG 14 53.507 -4.266 -1.967 111 HH12 ARG 14 HH12 ARG 14 55.217 -4.463 -2.130 112 HH21 ARG 14 HH21 ARG 14 55.970 -3.334 1.106 113 HH22 ARG 14 HH22 ARG 14 56.624 -3.938 -0.376 114 H LYS 15 HN LYS 15 53.299 1.111 1.294 115 HA LYS 15 HA LYS 15 52.568 0.508 3.911 116 HB2 LYS 15 HB2 LYS 15 54.843 1.032 3.294 117 HB3 LYS 15 HB1 LYS 15 54.373 2.648 2.801 118 HG2 LYS 15 HG2 LYS 15 53.747 3.083 5.198 119 HG3 LYS 15 HG1 LYS 15 54.505 1.538 5.594 120 HD2 LYS 15 HD2 LYS 15 56.090 3.341 5.952 121 HD3 LYS 15 HD1 LYS 15 56.615 2.351 4.589 122 HE2 LYS 15 HE2 LYS 15 55.630 4.001 3.038 123 HE3 LYS 15 HE1 LYS 15 55.156 4.987 4.415 124 HZ1 LYS 15 HZ1 LYS 15 57.217 5.691 3.287 125 HZ2 LYS 15 HZ2 LYS 15 57.962 4.257 3.797 126 HZ3 LYS 15 HZ3 LYS 15 57.419 5.384 4.937 127 H LYS 16 HN LYS 16 52.152 3.489 2.040 128 HA LYS 16 HA LYS 16 51.053 5.055 4.097 129 HB2 LYS 16 HB2 LYS 16 50.732 5.292 1.104 130 HB3 LYS 16 HB1 LYS 16 50.221 6.513 2.257 131 HG2 LYS 16 HG2 LYS 16 53.057 5.563 1.910 132 HG3 LYS 16 HG1 LYS 16 52.379 7.015 1.175 133 HD2 LYS 16 HD2 LYS 16 51.985 7.987 3.341 134 HD3 LYS 16 HD1 LYS 16 52.473 6.494 4.143 135 HE2 LYS 16 HE2 LYS 16 54.241 8.217 4.175 136 HE3 LYS 16 HE1 LYS 16 54.733 6.747 3.340 137 HZ1 LYS 16 HZ1 LYS 16 54.469 7.786 1.253 138 HZ2 LYS 16 HZ2 LYS 16 55.349 8.862 2.216 139 HZ3 LYS 16 HZ3 LYS 16 53.706 9.140 1.932 140 H ILE 17 HN ILE 17 49.403 3.310 1.437 141 HA ILE 17 HA ILE 17 46.838 4.071 2.231 142 HB ILE 17 HB ILE 17 47.288 3.104 0.009 143 HG12 ILE 17 HG12 ILE 17 45.229 1.485 1.520 144 HG13 ILE 17 HG11 ILE 17 44.988 3.138 0.965 145 HG21 ILE 17 HG21 ILE 17 48.830 1.340 0.640 146 HG22 ILE 17 HG22 ILE 17 47.487 0.694 -0.305 147 HG23 ILE 17 HG23 ILE 17 47.525 0.469 1.443 148 HD11 ILE 17 HD11 ILE 17 43.947 1.530 -0.532 149 HD12 ILE 17 HD12 ILE 17 45.510 0.750 -0.791 150 HD13 ILE 17 HD13 ILE 17 45.248 2.402 -1.343 151 H VAL 18 HN VAL 18 48.750 1.259 3.243 152 HA VAL 18 HA VAL 18 46.724 0.052 4.809 153 HB VAL 18 HB VAL 18 49.736 -0.084 5.146 154 HG11 VAL 18 HG11 VAL 18 48.597 -0.741 7.197 155 HG12 VAL 18 HG12 VAL 18 49.323 -2.144 6.411 156 HG13 VAL 18 HG13 VAL 18 47.586 -1.866 6.290 157 HG21 VAL 18 HG21 VAL 18 49.543 -2.229 3.969 158 HG22 VAL 18 HG22 VAL 18 48.999 -0.883 2.969 159 HG23 VAL 18 HG23 VAL 18 47.819 -1.942 3.741 160 H ASP 19 HN ASP 19 49.306 2.345 5.589 161 HA ASP 19 HA ASP 19 48.804 2.533 8.348 162 HB2 ASP 19 HB2 ASP 19 50.891 3.311 7.256 163 HB3 ASP 19 HB1 ASP 19 49.993 4.634 6.524 164 H LEU 20 HN LEU 20 47.569 4.361 5.600 165 HA LEU 20 HA LEU 20 46.122 6.277 7.074 166 HB2 LEU 20 HB2 LEU 20 46.123 5.328 4.263 167 HB3 LEU 20 HB1 LEU 20 44.692 6.176 4.805 168 HG LEU 20 HG LEU 20 46.280 7.663 3.653 169 HD11 LEU 20 HD11 LEU 20 45.989 8.278 6.583 170 HD12 LEU 20 HD12 LEU 20 44.787 8.587 5.329 171 HD13 LEU 20 HD13 LEU 20 46.328 9.443 5.305 172 HD21 LEU 20 HD21 LEU 20 48.391 8.288 4.743 173 HD22 LEU 20 HD22 LEU 20 48.374 6.599 4.240 174 HD23 LEU 20 HD23 LEU 20 48.137 7.014 5.937 175 H HIS 21 HN HIS 21 45.238 3.066 5.881 176 HA HIS 21 HA HIS 21 42.508 3.179 6.603 177 HB2 HIS 21 HB2 HIS 21 44.422 0.887 6.208 178 HB3 HIS 21 HB1 HIS 21 42.796 0.600 6.812 179 HD1 HIS 21 HD1 HIS 21 40.896 1.884 5.130 180 HD2 HIS 21 HD2 HIS 21 44.506 0.599 3.523 181 HE1 HIS 21 HE1 HIS 21 40.519 1.750 2.659 182 H LYS 22 HN LYS 22 45.332 1.939 8.322 183 HA LYS 22 HA LYS 22 43.900 1.281 10.678 184 HB2 LYS 22 HB2 LYS 22 46.847 1.673 10.185 185 HB3 LYS 22 HB1 LYS 22 46.166 1.039 11.680 186 HG2 LYS 22 HG2 LYS 22 45.279 -0.873 10.535 187 HG3 LYS 22 HG1 LYS 22 45.760 -0.214 8.972 188 HD2 LYS 22 HD2 LYS 22 47.303 -1.949 9.724 189 HD3 LYS 22 HD1 LYS 22 48.101 -0.380 9.613 190 HE2 LYS 22 HE2 LYS 22 47.877 -0.088 12.031 191 HE3 LYS 22 HE1 LYS 22 47.045 -1.638 12.147 192 HZ1 LYS 22 HZ1 LYS 22 49.021 -2.765 11.469 193 HZ2 LYS 22 HZ2 LYS 22 49.431 -1.720 12.732 194 HZ3 LYS 22 HZ3 LYS 22 49.813 -1.308 11.142 195 H SER 23 HN SER 23 45.098 4.230 9.455 196 HA SER 23 HA SER 23 45.373 5.637 11.899 197 HB2 SER 23 HB2 SER 23 46.327 6.549 9.843 198 HB3 SER 23 HB1 SER 23 44.730 6.626 9.102 199 HG SER 23 HG SER 23 45.836 8.214 11.148 200 H GLY 24 HN GLY 24 42.718 5.157 9.614 201 HA2 GLY 24 HA2 GLY 24 40.448 5.101 10.013 202 HA3 GLY 24 HA1 GLY 24 40.775 5.396 11.713 203 H SER 25 HN SER 25 41.755 7.715 12.020 204 HA SER 25 HA SER 25 39.653 9.501 11.447 205 HB2 SER 25 HB2 SER 25 41.192 9.567 13.454 206 HB3 SER 25 HB1 SER 25 42.427 10.243 12.396 207 HG SER 25 HG SER 25 41.453 12.108 12.457 208 H SER 26 HN SER 26 42.591 8.753 9.763 209 HA SER 26 HA SER 26 42.324 11.142 8.092 210 HB2 SER 26 HB2 SER 26 44.575 9.130 8.165 211 HB3 SER 26 HB1 SER 26 44.581 10.696 7.352 212 HG SER 26 HG SER 26 44.859 10.076 10.047 213 H LEU 27 HN LEU 27 40.809 8.398 8.037 214 HA LEU 27 HA LEU 27 41.472 7.155 5.581 215 HB2 LEU 27 HB2 LEU 27 40.185 6.043 7.354 216 HB3 LEU 27 HB1 LEU 27 38.852 7.146 7.081 217 HG LEU 27 HG LEU 27 38.602 6.221 4.790 218 HD11 LEU 27 HD11 LEU 27 40.679 4.243 5.714 219 HD12 LEU 27 HD12 LEU 27 40.870 5.440 4.431 220 HD13 LEU 27 HD13 LEU 27 39.724 4.115 4.239 221 HD21 LEU 27 HD21 LEU 27 38.465 4.208 7.031 222 HD22 LEU 27 HD22 LEU 27 37.616 4.091 5.489 223 HD23 LEU 27 HD23 LEU 27 37.224 5.391 6.616 224 H GLY 28 HN GLY 28 39.398 9.846 6.408 225 HA2 GLY 28 HA2 GLY 28 38.005 9.939 3.924 226 HA3 GLY 28 HA1 GLY 28 38.088 11.226 5.120 227 H ALA 29 HN ALA 29 40.991 11.261 5.120 228 HA ALA 29 HA ALA 29 41.413 13.206 3.125 229 HB1 ALA 29 HB1 ALA 29 42.615 13.226 5.242 230 HB2 ALA 29 HB2 ALA 29 43.743 13.184 3.885 231 HB3 ALA 29 HB3 ALA 29 43.422 11.719 4.810 232 H ILE 30 HN ILE 30 42.670 9.879 3.441 233 HA ILE 30 HA ILE 30 44.091 9.932 1.010 234 HB ILE 30 HB ILE 30 44.646 8.277 2.691 235 HG12 ILE 30 HG12 ILE 30 43.591 6.944 0.185 236 HG13 ILE 30 HG11 ILE 30 45.152 7.739 0.343 237 HG21 ILE 30 HG21 ILE 30 42.460 7.874 3.645 238 HG22 ILE 30 HG22 ILE 30 43.198 6.347 3.160 239 HG23 ILE 30 HG23 ILE 30 41.935 7.072 2.165 240 HD11 ILE 30 HD11 ILE 30 45.369 5.329 0.462 241 HD12 ILE 30 HD12 ILE 30 44.264 5.285 1.836 242 HD13 ILE 30 HD13 ILE 30 45.832 6.077 1.990 243 H SER 31 HN SER 31 40.775 9.017 1.755 244 HA SER 31 HA SER 31 40.241 7.914 -0.815 245 HB2 SER 31 HB2 SER 31 38.926 7.327 1.207 246 HB3 SER 31 HB1 SER 31 38.284 8.969 1.243 247 HG SER 31 HG SER 31 36.801 7.742 0.177 248 H LYS 32 HN LYS 32 40.233 11.122 0.497 249 HA LYS 32 HA LYS 32 38.598 12.233 -1.591 250 HB2 LYS 32 HB2 LYS 32 38.641 13.169 0.704 251 HB3 LYS 32 HB1 LYS 32 40.317 13.635 0.461 252 HG2 LYS 32 HG2 LYS 32 38.890 15.546 0.171 253 HG3 LYS 32 HG1 LYS 32 39.611 15.113 -1.381 254 HD2 LYS 32 HD2 LYS 32 37.538 13.959 -2.011 255 HD3 LYS 32 HD1 LYS 32 36.824 14.402 -0.459 256 HE2 LYS 32 HE2 LYS 32 36.067 15.915 -2.198 257 HE3 LYS 32 HE1 LYS 32 37.076 16.773 -1.036 258 HZ1 LYS 32 HZ1 LYS 32 38.013 15.744 -3.659 259 HZ2 LYS 32 HZ2 LYS 32 38.920 16.665 -2.572 260 HZ3 LYS 32 HZ3 LYS 32 37.585 17.346 -3.351 261 H ARG 33 HN ARG 33 42.054 12.104 -0.828 262 HA ARG 33 HA ARG 33 42.639 13.682 -3.186 263 HB2 ARG 33 HB2 ARG 33 43.941 14.149 -1.197 264 HB3 ARG 33 HB1 ARG 33 44.504 12.484 -1.139 265 HG2 ARG 33 HG2 ARG 33 46.187 14.053 -2.043 266 HG3 ARG 33 HG1 ARG 33 45.749 12.776 -3.179 267 HD2 ARG 33 HD2 ARG 33 44.177 14.353 -4.272 268 HD3 ARG 33 HD1 ARG 33 44.744 15.623 -3.193 269 HE ARG 33 HE ARG 33 47.008 15.118 -4.223 270 HH11 ARG 33 HH11 ARG 33 43.977 14.757 -5.973 271 HH12 ARG 33 HH12 ARG 33 44.692 15.054 -7.516 272 HH21 ARG 33 HH21 ARG 33 47.943 15.509 -6.278 273 HH22 ARG 33 HH22 ARG 33 46.945 15.489 -7.694 274 H LEU 34 HN LEU 34 43.468 10.398 -2.040 275 HA LEU 34 HA LEU 34 44.680 9.770 -4.569 276 HB2 LEU 34 HB2 LEU 34 44.108 8.124 -2.112 277 HB3 LEU 34 HB1 LEU 34 44.755 7.414 -3.574 278 HG LEU 34 HG LEU 34 46.559 7.769 -2.045 279 HD11 LEU 34 HD11 LEU 34 46.671 9.887 -4.179 280 HD12 LEU 34 HD12 LEU 34 47.045 8.178 -4.395 281 HD13 LEU 34 HD13 LEU 34 48.047 9.173 -3.340 282 HD21 LEU 34 HD21 LEU 34 45.543 9.492 -0.636 283 HD22 LEU 34 HD22 LEU 34 45.739 10.672 -1.931 284 HD23 LEU 34 HD23 LEU 34 47.159 9.965 -1.161 285 H LYS 35 HN LYS 35 41.628 9.189 -2.981 286 HA LYS 35 HA LYS 35 39.661 8.310 -3.671 287 HB2 LYS 35 HB2 LYS 35 40.662 9.088 -6.416 288 HB3 LYS 35 HB1 LYS 35 38.992 8.756 -5.987 289 HG2 LYS 35 HG2 LYS 35 39.090 10.685 -4.406 290 HG3 LYS 35 HG1 LYS 35 40.695 11.049 -5.039 291 HD2 LYS 35 HD2 LYS 35 39.347 12.441 -6.308 292 HD3 LYS 35 HD1 LYS 35 39.501 11.029 -7.352 293 HE2 LYS 35 HE2 LYS 35 37.181 11.628 -5.511 294 HE3 LYS 35 HE1 LYS 35 37.189 11.856 -7.255 295 HZ1 LYS 35 HZ1 LYS 35 37.604 9.406 -7.428 296 HZ2 LYS 35 HZ2 LYS 35 36.097 9.822 -6.803 297 HZ3 LYS 35 HZ3 LYS 35 37.311 9.290 -5.765 298 H VAL 36 HN VAL 36 41.383 6.372 -3.143 299 HA VAL 36 HA VAL 36 41.974 4.569 -5.195 300 HB VAL 36 HB VAL 36 42.117 2.839 -3.354 301 HG11 VAL 36 HG11 VAL 36 44.064 3.895 -2.287 302 HG12 VAL 36 HG12 VAL 36 43.569 5.453 -2.947 303 HG13 VAL 36 HG13 VAL 36 44.050 4.148 -4.031 304 HG21 VAL 36 HG21 VAL 36 40.407 3.779 -1.868 305 HG22 VAL 36 HG22 VAL 36 41.413 5.205 -1.608 306 HG23 VAL 36 HG23 VAL 36 41.957 3.627 -1.039 307 HA PRO 37 HA PRO 37 38.033 2.970 -6.432 308 HB2 PRO 37 HB2 PRO 37 39.582 0.469 -6.904 309 HB3 PRO 37 HB1 PRO 37 38.534 1.368 -8.007 310 HG2 PRO 37 HG2 PRO 37 41.173 1.490 -8.266 311 HG3 PRO 37 HG1 PRO 37 40.171 2.932 -8.505 312 HD2 PRO 37 HD2 PRO 37 41.872 2.171 -6.169 313 HD3 PRO 37 HD1 PRO 37 41.601 3.766 -6.903 314 H ARG 38 HN ARG 38 36.415 1.888 -5.463 315 HA ARG 38 HA ARG 38 36.680 1.093 -2.806 316 HB2 ARG 38 HB2 ARG 38 34.585 1.875 -4.035 317 HB3 ARG 38 HB1 ARG 38 34.414 0.212 -4.577 318 HG2 ARG 38 HG2 ARG 38 33.031 0.613 -2.633 319 HG3 ARG 38 HG1 ARG 38 34.318 -0.528 -2.236 320 HD2 ARG 38 HD2 ARG 38 35.612 1.253 -1.208 321 HD3 ARG 38 HD1 ARG 38 34.387 2.432 -1.666 322 HE ARG 38 HE ARG 38 33.431 0.271 -0.015 323 HH11 ARG 38 HH11 ARG 38 34.855 3.475 -0.080 324 HH12 ARG 38 HH12 ARG 38 34.292 3.899 1.504 325 HH21 ARG 38 HH21 ARG 38 32.687 0.842 2.103 326 HH22 ARG 38 HH22 ARG 38 33.079 2.402 2.741 327 H SER 39 HN SER 39 36.300 -0.939 -5.705 328 HA SER 39 HA SER 39 36.306 -3.399 -4.354 329 HB2 SER 39 HB2 SER 39 37.228 -2.776 -7.166 330 HB3 SER 39 HB1 SER 39 36.827 -4.376 -6.544 331 HG SER 39 HG SER 39 34.826 -3.958 -6.945 332 H SER 40 HN SER 40 38.884 -1.295 -5.411 333 HA SER 40 HA SER 40 40.962 -3.214 -5.043 334 HB2 SER 40 HB2 SER 40 41.140 -0.202 -5.235 335 HB3 SER 40 HB1 SER 40 42.475 -1.343 -5.422 336 HG SER 40 HG SER 40 40.700 -2.201 -7.077 337 H VAL 41 HN VAL 41 39.391 -0.794 -3.051 338 HA VAL 41 HA VAL 41 41.207 -0.672 -0.924 339 HB VAL 41 HB VAL 41 38.180 -0.482 -0.862 340 HG11 VAL 41 HG11 VAL 41 40.193 0.287 1.247 341 HG12 VAL 41 HG12 VAL 41 39.005 -1.011 1.357 342 HG13 VAL 41 HG13 VAL 41 38.471 0.669 1.296 343 HG21 VAL 41 HG21 VAL 41 39.226 1.216 -2.252 344 HG22 VAL 41 HG22 VAL 41 40.312 1.651 -0.930 345 HG23 VAL 41 HG23 VAL 41 38.579 1.938 -0.778 346 H GLN 42 HN GLN 42 38.354 -2.734 -1.326 347 HA GLN 42 HA GLN 42 38.738 -4.311 0.962 348 HB2 GLN 42 HB2 GLN 42 36.607 -4.212 -0.245 349 HB3 GLN 42 HB1 GLN 42 37.336 -4.960 -1.651 350 HG2 GLN 42 HG2 GLN 42 37.286 -6.405 0.974 351 HG3 GLN 42 HG1 GLN 42 35.852 -6.364 -0.046 352 HE21 GLN 42 HE21 GLN 42 37.404 -6.391 -2.525 353 HE22 GLN 42 HE22 GLN 42 38.014 -7.994 -2.697 354 H THR 43 HN THR 43 40.064 -4.543 -2.264 355 HA THR 43 HA THR 43 41.140 -7.154 -1.940 356 HB THR 43 HB THR 43 41.947 -4.988 -3.896 357 HG1 THR 43 HG1 THR 43 39.855 -5.460 -4.367 358 HG21 THR 43 HG21 THR 43 42.377 -7.983 -3.989 359 HG22 THR 43 HG22 THR 43 43.626 -6.782 -3.666 360 HG23 THR 43 HG23 THR 43 42.835 -6.828 -5.241 361 H ILE 44 HN ILE 44 42.481 -3.873 -1.566 362 HA ILE 44 HA ILE 44 45.118 -4.799 -1.063 363 HB ILE 44 HB ILE 44 44.338 -2.440 -1.862 364 HG12 ILE 44 HG12 ILE 44 46.713 -3.135 -1.448 365 HG13 ILE 44 HG11 ILE 44 46.411 -1.425 -1.187 366 HG21 ILE 44 HG21 ILE 44 44.242 -1.982 1.110 367 HG22 ILE 44 HG22 ILE 44 42.883 -1.899 -0.012 368 HG23 ILE 44 HG23 ILE 44 44.195 -0.726 -0.129 369 HD11 ILE 44 HD11 ILE 44 47.898 -2.331 0.499 370 HD12 ILE 44 HD12 ILE 44 46.684 -3.529 0.949 371 HD13 ILE 44 HD13 ILE 44 46.378 -1.815 1.230 372 H VAL 45 HN VAL 45 42.408 -3.876 1.067 373 HA VAL 45 HA VAL 45 43.896 -4.147 3.464 374 HB VAL 45 HB VAL 45 41.725 -4.272 4.648 375 HG11 VAL 45 HG11 VAL 45 41.848 -2.139 2.528 376 HG12 VAL 45 HG12 VAL 45 42.650 -2.100 4.099 377 HG13 VAL 45 HG13 VAL 45 40.889 -2.064 4.006 378 HG21 VAL 45 HG21 VAL 45 40.453 -5.578 3.051 379 HG22 VAL 45 HG22 VAL 45 40.531 -4.253 1.889 380 HG23 VAL 45 HG23 VAL 45 39.631 -4.053 3.394 381 H ARG 46 HN ARG 46 42.231 -6.375 1.434 382 HA ARG 46 HA ARG 46 42.275 -8.589 3.224 383 HB2 ARG 46 HB2 ARG 46 40.682 -8.624 1.464 384 HB3 ARG 46 HB1 ARG 46 41.904 -8.286 0.252 385 HG2 ARG 46 HG2 ARG 46 42.870 -10.523 0.654 386 HG3 ARG 46 HG1 ARG 46 41.552 -10.852 1.784 387 HD2 ARG 46 HD2 ARG 46 39.922 -10.589 0.040 388 HD3 ARG 46 HD1 ARG 46 41.163 -10.070 -1.097 389 HE ARG 46 HE ARG 46 41.871 -12.601 -0.195 390 HH11 ARG 46 HH11 ARG 46 39.295 -11.096 -2.012 391 HH12 ARG 46 HH12 ARG 46 38.942 -12.500 -2.952 392 HH21 ARG 46 HH21 ARG 46 41.430 -14.486 -1.451 393 HH22 ARG 46 HH22 ARG 46 40.169 -14.440 -2.632 394 H LYS 47 HN LYS 47 44.388 -7.338 0.711 395 HA LYS 47 HA LYS 47 46.074 -9.533 0.421 396 HB2 LYS 47 HB2 LYS 47 46.016 -7.631 -1.141 397 HB3 LYS 47 HB1 LYS 47 46.771 -6.614 0.076 398 HG2 LYS 47 HG2 LYS 47 48.789 -7.945 -0.002 399 HG3 LYS 47 HG1 LYS 47 48.031 -9.076 -1.124 400 HD2 LYS 47 HD2 LYS 47 47.812 -7.278 -2.780 401 HD3 LYS 47 HD1 LYS 47 48.578 -6.155 -1.654 402 HE2 LYS 47 HE2 LYS 47 50.621 -7.480 -1.694 403 HE3 LYS 47 HE1 LYS 47 49.856 -8.655 -2.762 404 HZ1 LYS 47 HZ1 LYS 47 50.322 -5.798 -3.438 405 HZ2 LYS 47 HZ2 LYS 47 49.683 -6.974 -4.465 406 HZ3 LYS 47 HZ3 LYS 47 51.290 -7.084 -3.954 407 H TYR 48 HN TYR 48 46.703 -6.596 2.417 408 HA TYR 48 HA TYR 48 49.048 -7.791 3.502 409 HB2 TYR 48 HB2 TYR 48 49.254 -5.882 4.962 410 HB3 TYR 48 HB1 TYR 48 48.793 -5.329 3.364 411 HD1 TYR 48 HD1 TYR 48 47.515 -5.941 6.799 412 HD2 TYR 48 HD2 TYR 48 46.852 -4.010 3.069 413 HE1 TYR 48 HE1 TYR 48 45.705 -4.620 7.812 414 HE2 TYR 48 HE2 TYR 48 45.040 -2.685 4.072 415 HH TYR 48 HH TYR 48 43.467 -2.888 6.008 416 H LYS 49 HN LYS 49 45.724 -7.836 4.440 417 HA LYS 49 HA LYS 49 46.127 -8.722 7.109 418 HB2 LYS 49 HB2 LYS 49 43.989 -7.744 6.097 419 HB3 LYS 49 HB1 LYS 49 43.727 -9.318 5.366 420 HG2 LYS 49 HG2 LYS 49 44.027 -8.937 8.339 421 HG3 LYS 49 HG1 LYS 49 42.475 -8.827 7.512 422 HD2 LYS 49 HD2 LYS 49 42.804 -11.135 6.672 423 HD3 LYS 49 HD1 LYS 49 44.312 -11.224 7.583 424 HE2 LYS 49 HE2 LYS 49 42.522 -12.300 8.813 425 HE3 LYS 49 HE1 LYS 49 43.067 -10.853 9.659 426 HZ1 LYS 49 HZ1 LYS 49 40.669 -10.986 9.660 427 HZ2 LYS 49 HZ2 LYS 49 40.631 -11.079 7.976 428 HZ3 LYS 49 HZ3 LYS 49 41.156 -9.664 8.728 429 H HIS 50 HN HIS 50 45.346 -10.402 4.080 430 HA HIS 50 HA HIS 50 45.435 -13.013 5.109 431 HB2 HIS 50 HB2 HIS 50 44.403 -12.483 2.950 432 HB3 HIS 50 HB1 HIS 50 45.966 -12.020 2.297 433 HD1 HIS 50 HD1 HIS 50 44.009 -15.065 3.366 434 HD2 HIS 50 HD2 HIS 50 47.510 -14.100 1.337 435 HE1 HIS 50 HE1 HIS 50 44.809 -17.214 2.337 436 H HIS 51 HN HIS 51 47.901 -11.044 3.510 437 HA HIS 51 HA HIS 51 49.927 -12.962 3.414 438 HB2 HIS 51 HB2 HIS 51 49.982 -10.833 2.169 439 HB3 HIS 51 HB1 HIS 51 50.200 -9.961 3.679 440 HD1 HIS 51 HD1 HIS 51 52.552 -9.408 4.197 441 HD2 HIS 51 HD2 HIS 51 52.252 -12.745 1.739 442 HE1 HIS 51 HE1 HIS 51 54.916 -10.051 3.652 443 H GLY 52 HN GLY 52 49.397 -10.420 5.860 444 HA2 GLY 52 HA2 GLY 52 51.603 -11.180 7.454 445 HA3 GLY 52 HA1 GLY 52 50.276 -10.150 7.957 446 H THR 53 HN THR 53 48.183 -12.072 7.628 447 HA THR 53 HA THR 53 48.467 -13.340 10.177 448 HB THR 53 HB THR 53 46.198 -13.748 8.219 449 HG1 THR 53 HG1 THR 53 46.190 -11.594 8.459 450 HG21 THR 53 HG21 THR 53 46.221 -15.242 10.183 451 HG22 THR 53 HG22 THR 53 44.878 -14.102 10.256 452 HG23 THR 53 HG23 THR 53 46.314 -13.837 11.244 453 H THR 54 HN THR 54 48.867 -14.399 6.889 454 HA THR 54 HA THR 54 48.747 -17.211 7.614 455 HB THR 54 HB THR 54 49.564 -15.993 4.956 456 HG1 THR 54 HG1 THR 54 47.493 -15.356 5.236 457 HG21 THR 54 HG21 THR 54 48.521 -18.747 5.649 458 HG22 THR 54 HG22 THR 54 50.199 -18.360 5.266 459 HG23 THR 54 HG23 THR 54 48.948 -18.174 4.036 460 H GLN 55 HN GLN 55 51.060 -14.718 7.517 461 HA GLN 55 HA GLN 55 53.310 -16.515 7.158 462 HB2 GLN 55 HB2 GLN 55 53.308 -14.263 6.124 463 HB3 GLN 55 HB1 GLN 55 53.282 -13.550 7.729 464 HG2 GLN 55 HG2 GLN 55 55.452 -14.456 8.220 465 HG3 GLN 55 HG1 GLN 55 55.469 -15.336 6.692 466 HE21 GLN 55 HE21 GLN 55 57.316 -13.336 7.716 467 HE22 GLN 55 HE22 GLN 55 57.345 -12.065 6.546 468 H HIS 56 HN HIS 56 53.659 -17.770 8.864 469 HA HIS 56 HA HIS 56 53.894 -16.490 11.512 470 HB2 HIS 56 HB2 HIS 56 52.966 -19.266 10.774 471 HB3 HIS 56 HB1 HIS 56 53.496 -18.864 12.396 472 HD1 HIS 56 HD1 HIS 56 50.524 -19.176 10.506 473 HD2 HIS 56 HD2 HIS 56 51.863 -16.479 13.373 474 HE1 HIS 56 HE1 HIS 56 48.457 -18.104 11.436 475 H HIS 57 HN HIS 57 55.023 -19.321 9.686 476 HA HIS 57 HA HIS 57 57.674 -18.931 10.889 477 HB2 HIS 57 HB2 HIS 57 56.310 -21.480 10.014 478 HB3 HIS 57 HB1 HIS 57 58.021 -21.384 10.410 479 HD1 HIS 57 HD1 HIS 57 54.865 -22.167 11.885 480 HD2 HIS 57 HD2 HIS 57 58.361 -20.361 13.214 481 HE1 HIS 57 HE1 HIS 57 54.781 -22.307 14.387 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 63.239 6.853 5.366 2 H2 ALA 1 HT2 ALA 1 64.143 5.492 4.958 3 H3 ALA 1 HT3 ALA 1 62.549 5.313 5.490 4 HA ALA 1 HA ALA 1 63.462 6.598 2.992 5 HB1 ALA 1 HB1 ALA 1 63.598 4.146 2.983 6 HB2 ALA 1 HB2 ALA 1 62.393 4.755 1.849 7 HB3 ALA 1 HB3 ALA 1 61.884 4.061 3.388 8 H SER 2 HN SER 2 60.801 5.992 5.224 9 HA SER 2 HA SER 2 58.870 7.207 3.462 10 HB2 SER 2 HB2 SER 2 58.605 6.316 6.342 11 HB3 SER 2 HB1 SER 2 57.277 6.805 5.290 12 HG SER 2 HG SER 2 58.051 5.029 3.856 13 H MET 3 HN MET 3 61.274 8.560 5.227 14 HA MET 3 HA MET 3 59.825 10.678 6.514 15 HB2 MET 3 HB2 MET 3 62.764 10.364 5.897 16 HB3 MET 3 HB1 MET 3 62.107 11.775 6.695 17 HG2 MET 3 HG2 MET 3 61.260 10.310 8.495 18 HG3 MET 3 HG1 MET 3 62.051 8.949 7.707 19 HE1 MET 3 HE1 MET 3 64.777 10.313 6.651 20 HE2 MET 3 HE2 MET 3 64.679 8.728 7.413 21 HE3 MET 3 HE3 MET 3 65.842 9.916 7.999 22 H GLY 4 HN GLY 4 61.446 10.257 3.431 23 HA2 GLY 4 HA2 GLY 4 61.141 13.037 2.700 24 HA3 GLY 4 HA1 GLY 4 61.775 11.752 1.684 25 H LYS 5 HN LYS 5 58.670 12.122 3.341 26 HA LYS 5 HA LYS 5 56.524 12.169 2.663 27 HB2 LYS 5 HB2 LYS 5 57.685 13.119 0.053 28 HB3 LYS 5 HB1 LYS 5 55.966 13.080 0.417 29 HG2 LYS 5 HG2 LYS 5 56.448 14.589 2.361 30 HG3 LYS 5 HG1 LYS 5 58.088 14.752 1.728 31 HD2 LYS 5 HD2 LYS 5 55.549 15.445 0.253 32 HD3 LYS 5 HD1 LYS 5 56.651 16.598 1.001 33 HE2 LYS 5 HE2 LYS 5 58.438 15.836 -0.508 34 HE3 LYS 5 HE1 LYS 5 57.303 14.720 -1.268 35 HZ1 LYS 5 HZ1 LYS 5 57.085 17.676 -1.225 36 HZ2 LYS 5 HZ2 LYS 5 55.947 16.631 -1.903 37 HZ3 LYS 5 HZ3 LYS 5 57.500 16.729 -2.561 38 H SER 6 HN SER 6 55.537 10.319 2.622 39 HA SER 6 HA SER 6 56.288 8.219 0.830 40 HB2 SER 6 HB2 SER 6 54.189 7.132 1.895 41 HB3 SER 6 HB1 SER 6 55.578 7.445 2.935 42 HG SER 6 HG SER 6 54.534 9.110 3.867 43 H LYS 7 HN LYS 7 55.865 8.686 -1.268 44 HA LYS 7 HA LYS 7 53.178 8.691 -2.192 45 HB2 LYS 7 HB2 LYS 7 53.226 11.007 -1.432 46 HB3 LYS 7 HB1 LYS 7 54.687 11.306 -2.360 47 HG2 LYS 7 HG2 LYS 7 52.810 12.251 -3.515 48 HG3 LYS 7 HG1 LYS 7 53.412 10.870 -4.433 49 HD2 LYS 7 HD2 LYS 7 51.628 9.474 -3.478 50 HD3 LYS 7 HD1 LYS 7 51.019 10.873 -2.591 51 HE2 LYS 7 HE2 LYS 7 49.703 10.564 -4.588 52 HE3 LYS 7 HE1 LYS 7 50.664 12.033 -4.744 53 HZ1 LYS 7 HZ1 LYS 7 52.283 10.715 -6.052 54 HZ2 LYS 7 HZ2 LYS 7 50.766 10.829 -6.778 55 HZ3 LYS 7 HZ3 LYS 7 51.216 9.400 -6.004 56 H GLU 8 HN GLU 8 56.557 9.456 -2.932 57 HA GLU 8 HA GLU 8 56.240 9.231 -5.745 58 HB2 GLU 8 HB2 GLU 8 58.066 10.523 -4.690 59 HB3 GLU 8 HB1 GLU 8 58.784 9.016 -4.136 60 HG2 GLU 8 HG2 GLU 8 59.150 8.303 -6.411 61 HG3 GLU 8 HG1 GLU 8 58.321 9.731 -7.023 62 H ILE 9 HN ILE 9 57.789 7.060 -3.388 63 HA ILE 9 HA ILE 9 58.136 5.009 -5.348 64 HB ILE 9 HB ILE 9 58.351 4.844 -2.333 65 HG12 ILE 9 HG12 ILE 9 59.929 6.450 -3.196 66 HG13 ILE 9 HG11 ILE 9 60.800 4.983 -2.765 67 HG21 ILE 9 HG21 ILE 9 58.028 2.649 -3.345 68 HG22 ILE 9 HG22 ILE 9 59.667 2.822 -2.718 69 HG23 ILE 9 HG23 ILE 9 59.367 2.956 -4.451 70 HD11 ILE 9 HD11 ILE 9 60.788 4.334 -5.150 71 HD12 ILE 9 HD12 ILE 9 61.645 5.842 -4.835 72 HD13 ILE 9 HD13 ILE 9 60.027 5.878 -5.534 73 H SER 10 HN SER 10 56.652 3.682 -6.056 74 HA SER 10 HA SER 10 54.004 3.727 -5.308 75 HB2 SER 10 HB2 SER 10 55.495 1.506 -6.703 76 HB3 SER 10 HB1 SER 10 53.744 1.710 -6.684 77 HG SER 10 HG SER 10 55.623 2.964 -8.209 78 H GLN 11 HN GLN 11 56.488 1.385 -4.256 79 HA GLN 11 HA GLN 11 54.644 -0.190 -2.766 80 HB2 GLN 11 HB2 GLN 11 56.855 -1.025 -3.537 81 HB3 GLN 11 HB1 GLN 11 57.630 0.032 -2.365 82 HG2 GLN 11 HG2 GLN 11 56.534 -1.164 -0.546 83 HG3 GLN 11 HG1 GLN 11 55.733 -2.214 -1.714 84 HE21 GLN 11 HE21 GLN 11 58.704 -1.417 -0.149 85 HE22 GLN 11 HE22 GLN 11 59.589 -2.811 -0.654 86 H ASP 12 HN ASP 12 56.703 2.534 -1.981 87 HA ASP 12 HA ASP 12 56.286 2.493 0.826 88 HB2 ASP 12 HB2 ASP 12 58.156 3.694 -0.291 89 HB3 ASP 12 HB1 ASP 12 56.992 4.821 -0.974 90 H LEU 13 HN LEU 13 54.680 4.101 -1.871 91 HA LEU 13 HA LEU 13 52.736 5.485 -0.319 92 HB2 LEU 13 HB2 LEU 13 53.235 6.200 -2.573 93 HB3 LEU 13 HB1 LEU 13 52.789 4.635 -3.217 94 HG LEU 13 HG LEU 13 50.438 5.063 -2.564 95 HD11 LEU 13 HD11 LEU 13 49.756 7.314 -1.928 96 HD12 LEU 13 HD12 LEU 13 51.444 7.814 -1.857 97 HD13 LEU 13 HD13 LEU 13 50.835 6.608 -0.725 98 HD21 LEU 13 HD21 LEU 13 51.226 5.557 -4.821 99 HD22 LEU 13 HD22 LEU 13 51.668 7.187 -4.314 100 HD23 LEU 13 HD23 LEU 13 49.976 6.689 -4.311 101 H ARG 14 HN ARG 14 52.916 2.310 -1.791 102 HA ARG 14 HA ARG 14 50.249 1.488 -1.399 103 HB2 ARG 14 HB2 ARG 14 52.069 0.361 -2.792 104 HB3 ARG 14 HB1 ARG 14 52.687 -0.292 -1.284 105 HG2 ARG 14 HG2 ARG 14 50.525 -1.421 -0.922 106 HG3 ARG 14 HG1 ARG 14 49.977 -0.814 -2.488 107 HD2 ARG 14 HD2 ARG 14 51.998 -1.947 -3.493 108 HD3 ARG 14 HD1 ARG 14 52.237 -2.724 -1.931 109 HE ARG 14 HE ARG 14 49.714 -3.038 -3.414 110 HH11 ARG 14 HH11 ARG 14 52.509 -4.471 -1.824 111 HH12 ARG 14 HH12 ARG 14 51.948 -6.092 -2.047 112 HH21 ARG 14 HH21 ARG 14 48.995 -5.187 -3.702 113 HH22 ARG 14 HH22 ARG 14 49.954 -6.502 -3.110 114 H LYS 15 HN LYS 15 53.102 1.497 0.625 115 HA LYS 15 HA LYS 15 51.903 0.108 2.811 116 HB2 LYS 15 HB2 LYS 15 54.385 0.275 2.329 117 HB3 LYS 15 HB1 LYS 15 54.312 1.947 2.848 118 HG2 LYS 15 HG2 LYS 15 53.404 -0.235 4.687 119 HG3 LYS 15 HG1 LYS 15 55.120 0.107 4.492 120 HD2 LYS 15 HD2 LYS 15 54.638 2.484 5.096 121 HD3 LYS 15 HD1 LYS 15 52.975 2.006 5.445 122 HE2 LYS 15 HE2 LYS 15 53.779 0.438 7.142 123 HE3 LYS 15 HE1 LYS 15 55.441 0.883 6.774 124 HZ1 LYS 15 HZ1 LYS 15 53.356 2.647 7.966 125 HZ2 LYS 15 HZ2 LYS 15 54.880 3.176 7.459 126 HZ3 LYS 15 HZ3 LYS 15 54.757 2.056 8.711 127 H LYS 16 HN LYS 16 52.256 3.442 1.809 128 HA LYS 16 HA LYS 16 51.487 4.764 4.151 129 HB2 LYS 16 HB2 LYS 16 52.441 5.871 2.161 130 HB3 LYS 16 HB1 LYS 16 50.939 5.580 1.297 131 HG2 LYS 16 HG2 LYS 16 49.809 6.925 3.144 132 HG3 LYS 16 HG1 LYS 16 51.439 7.431 3.603 133 HD2 LYS 16 HD2 LYS 16 51.763 8.148 1.208 134 HD3 LYS 16 HD1 LYS 16 50.036 7.873 0.976 135 HE2 LYS 16 HE2 LYS 16 50.427 10.210 1.419 136 HE3 LYS 16 HE1 LYS 16 49.574 9.491 2.783 137 HZ1 LYS 16 HZ1 LYS 16 52.515 9.789 2.736 138 HZ2 LYS 16 HZ2 LYS 16 51.522 9.496 4.072 139 HZ3 LYS 16 HZ3 LYS 16 51.498 11.006 3.314 140 H ILE 17 HN ILE 17 49.475 3.729 1.384 141 HA ILE 17 HA ILE 17 47.041 4.653 2.461 142 HB ILE 17 HB ILE 17 47.329 4.094 0.057 143 HG12 ILE 17 HG12 ILE 17 45.089 2.554 1.390 144 HG13 ILE 17 HG11 ILE 17 45.075 4.277 1.028 145 HG21 ILE 17 HG21 ILE 17 48.627 2.052 0.279 146 HG22 ILE 17 HG22 ILE 17 47.189 1.777 -0.704 147 HG23 ILE 17 HG23 ILE 17 47.231 1.226 0.971 148 HD11 ILE 17 HD11 ILE 17 43.786 3.021 -0.601 149 HD12 ILE 17 HD12 ILE 17 45.205 2.049 -0.993 150 HD13 ILE 17 HD13 ILE 17 45.190 3.774 -1.359 151 H VAL 18 HN VAL 18 48.863 1.768 3.027 152 HA VAL 18 HA VAL 18 46.745 0.384 4.407 153 HB VAL 18 HB VAL 18 49.718 -0.156 4.195 154 HG11 VAL 18 HG11 VAL 18 47.581 -1.857 5.466 155 HG12 VAL 18 HG12 VAL 18 48.879 -1.015 6.313 156 HG13 VAL 18 HG13 VAL 18 49.259 -2.332 5.202 157 HG21 VAL 18 HG21 VAL 18 47.331 -1.522 2.956 158 HG22 VAL 18 HG22 VAL 18 49.011 -2.027 2.777 159 HG23 VAL 18 HG23 VAL 18 48.481 -0.477 2.122 160 H ASP 19 HN ASP 19 49.585 2.284 5.238 161 HA ASP 19 HA ASP 19 49.537 1.941 8.030 162 HB2 ASP 19 HB2 ASP 19 51.425 2.904 6.692 163 HB3 ASP 19 HB1 ASP 19 50.474 4.372 6.497 164 H LEU 20 HN LEU 20 48.210 4.468 5.952 165 HA LEU 20 HA LEU 20 46.975 5.902 8.050 166 HB2 LEU 20 HB2 LEU 20 46.398 5.880 5.088 167 HB3 LEU 20 HB1 LEU 20 45.733 7.041 6.219 168 HG LEU 20 HG LEU 20 48.639 6.714 5.467 169 HD11 LEU 20 HD11 LEU 20 46.689 8.960 5.018 170 HD12 LEU 20 HD12 LEU 20 47.332 7.866 3.793 171 HD13 LEU 20 HD13 LEU 20 48.405 8.996 4.620 172 HD21 LEU 20 HD21 LEU 20 48.514 7.244 7.824 173 HD22 LEU 20 HD22 LEU 20 47.376 8.552 7.498 174 HD23 LEU 20 HD23 LEU 20 49.039 8.667 6.922 175 H HIS 21 HN HIS 21 46.146 3.040 6.404 176 HA HIS 21 HA HIS 21 43.334 3.056 6.866 177 HB2 HIS 21 HB2 HIS 21 45.276 1.270 5.734 178 HB3 HIS 21 HB1 HIS 21 44.279 0.386 6.882 179 HD1 HIS 21 HD1 HIS 21 44.074 2.340 3.697 180 HD2 HIS 21 HD2 HIS 21 41.708 -0.127 6.053 181 HE1 HIS 21 HE1 HIS 21 42.009 1.902 2.335 182 H LYS 22 HN LYS 22 46.149 1.839 8.611 183 HA LYS 22 HA LYS 22 44.593 0.742 10.762 184 HB2 LYS 22 HB2 LYS 22 47.555 1.327 10.600 185 HB3 LYS 22 HB1 LYS 22 46.772 0.388 11.862 186 HG2 LYS 22 HG2 LYS 22 46.940 -0.330 8.942 187 HG3 LYS 22 HG1 LYS 22 47.846 -1.069 10.261 188 HD2 LYS 22 HD2 LYS 22 44.838 -1.121 9.961 189 HD3 LYS 22 HD1 LYS 22 45.929 -2.441 9.556 190 HE2 LYS 22 HE2 LYS 22 46.665 -2.527 11.898 191 HE3 LYS 22 HE1 LYS 22 45.521 -1.245 12.291 192 HZ1 LYS 22 HZ1 LYS 22 43.722 -2.693 11.580 193 HZ2 LYS 22 HZ2 LYS 22 44.611 -3.406 12.822 194 HZ3 LYS 22 HZ3 LYS 22 44.820 -3.928 11.230 195 H SER 23 HN SER 23 45.583 3.811 9.891 196 HA SER 23 HA SER 23 45.864 4.922 12.509 197 HB2 SER 23 HB2 SER 23 45.329 6.293 9.867 198 HB3 SER 23 HB1 SER 23 45.860 7.077 11.354 199 HG SER 23 HG SER 23 47.314 5.065 9.945 200 H GLY 24 HN GLY 24 43.255 4.341 10.273 201 HA2 GLY 24 HA2 GLY 24 40.990 4.231 10.766 202 HA3 GLY 24 HA1 GLY 24 41.331 4.898 12.354 203 H SER 25 HN SER 25 42.275 7.279 12.080 204 HA SER 25 HA SER 25 40.060 8.790 11.083 205 HB2 SER 25 HB2 SER 25 41.452 10.724 11.946 206 HB3 SER 25 HB1 SER 25 41.029 9.488 13.132 207 HG SER 25 HG SER 25 43.385 10.339 12.737 208 H SER 26 HN SER 26 42.540 7.505 9.432 209 HA SER 26 HA SER 26 42.857 9.835 7.675 210 HB2 SER 26 HB2 SER 26 44.618 7.388 7.864 211 HB3 SER 26 HB1 SER 26 44.942 8.855 6.937 212 HG SER 26 HG SER 26 44.735 9.917 9.113 213 H LEU 27 HN LEU 27 40.805 7.457 7.845 214 HA LEU 27 HA LEU 27 41.127 5.997 5.425 215 HB2 LEU 27 HB2 LEU 27 39.055 6.254 7.500 216 HB3 LEU 27 HB1 LEU 27 38.456 5.831 5.911 217 HG LEU 27 HG LEU 27 38.836 3.858 7.327 218 HD11 LEU 27 HD11 LEU 27 40.108 2.550 5.714 219 HD12 LEU 27 HD12 LEU 27 40.703 4.034 4.971 220 HD13 LEU 27 HD13 LEU 27 38.984 3.645 4.911 221 HD21 LEU 27 HD21 LEU 27 41.114 3.159 7.874 222 HD22 LEU 27 HD22 LEU 27 40.704 4.689 8.651 223 HD23 LEU 27 HD23 LEU 27 41.737 4.675 7.222 224 H GLY 28 HN GLY 28 39.004 8.707 6.290 225 HA2 GLY 28 HA2 GLY 28 37.848 8.989 3.725 226 HA3 GLY 28 HA1 GLY 28 37.871 10.218 4.981 227 H ALA 29 HN ALA 29 40.836 10.066 5.069 228 HA ALA 29 HA ALA 29 41.394 12.169 3.284 229 HB1 ALA 29 HB1 ALA 29 43.708 11.940 4.025 230 HB2 ALA 29 HB2 ALA 29 43.325 10.386 4.767 231 HB3 ALA 29 HB3 ALA 29 42.600 11.865 5.395 232 H ILE 30 HN ILE 30 42.767 8.878 3.341 233 HA ILE 30 HA ILE 30 43.947 9.054 0.795 234 HB ILE 30 HB ILE 30 43.989 6.520 0.892 235 HG12 ILE 30 HG12 ILE 30 42.758 7.045 3.611 236 HG13 ILE 30 HG11 ILE 30 41.996 6.188 2.278 237 HG21 ILE 30 HG21 ILE 30 45.854 7.870 1.628 238 HG22 ILE 30 HG22 ILE 30 45.652 6.481 2.696 239 HG23 ILE 30 HG23 ILE 30 45.108 8.076 3.213 240 HD11 ILE 30 HD11 ILE 30 44.466 5.293 3.743 241 HD12 ILE 30 HD12 ILE 30 43.633 4.414 2.459 242 HD13 ILE 30 HD13 ILE 30 42.835 4.683 4.007 243 H SER 31 HN SER 31 40.760 7.986 1.800 244 HA SER 31 HA SER 31 40.000 6.711 -0.574 245 HB2 SER 31 HB2 SER 31 38.788 6.449 1.555 246 HB3 SER 31 HB1 SER 31 38.250 8.123 1.455 247 HG SER 31 HG SER 31 36.646 7.383 0.352 248 H LYS 32 HN LYS 32 39.686 10.111 0.430 249 HA LYS 32 HA LYS 32 38.373 10.704 -2.100 250 HB2 LYS 32 HB2 LYS 32 37.497 11.675 -0.001 251 HB3 LYS 32 HB1 LYS 32 38.996 12.573 0.184 252 HG2 LYS 32 HG2 LYS 32 38.559 13.828 -1.821 253 HG3 LYS 32 HG1 LYS 32 37.132 12.851 -2.163 254 HD2 LYS 32 HD2 LYS 32 37.494 14.639 0.244 255 HD3 LYS 32 HD1 LYS 32 36.554 15.040 -1.194 256 HE2 LYS 32 HE2 LYS 32 36.007 12.784 0.743 257 HE3 LYS 32 HE1 LYS 32 35.089 14.276 0.584 258 HZ1 LYS 32 HZ1 LYS 32 34.495 13.614 -1.673 259 HZ2 LYS 32 HZ2 LYS 32 33.980 12.473 -0.543 260 HZ3 LYS 32 HZ3 LYS 32 35.339 12.161 -1.488 261 H ARG 33 HN ARG 33 41.367 11.546 -0.392 262 HA ARG 33 HA ARG 33 42.305 13.453 -2.228 263 HB2 ARG 33 HB2 ARG 33 43.235 13.156 0.027 264 HB3 ARG 33 HB1 ARG 33 43.898 11.602 -0.453 265 HG2 ARG 33 HG2 ARG 33 45.323 12.722 -2.091 266 HG3 ARG 33 HG1 ARG 33 44.665 14.281 -1.588 267 HD2 ARG 33 HD2 ARG 33 45.485 13.849 0.692 268 HD3 ARG 33 HD1 ARG 33 46.208 12.345 0.127 269 HE ARG 33 HE ARG 33 47.350 14.068 -1.517 270 HH11 ARG 33 HH11 ARG 33 46.816 14.298 1.940 271 HH12 ARG 33 HH12 ARG 33 48.215 15.262 2.229 272 HH21 ARG 33 HH21 ARG 33 49.219 15.355 -1.144 273 HH22 ARG 33 HH22 ARG 33 49.588 15.885 0.458 274 H LEU 34 HN LEU 34 43.221 10.026 -1.926 275 HA LEU 34 HA LEU 34 44.597 10.084 -4.448 276 HB2 LEU 34 HB2 LEU 34 43.806 7.718 -2.746 277 HB3 LEU 34 HB1 LEU 34 44.949 7.698 -4.075 278 HG LEU 34 HG LEU 34 45.323 9.164 -1.461 279 HD11 LEU 34 HD11 LEU 34 46.631 6.668 -2.528 280 HD12 LEU 34 HD12 LEU 34 45.467 6.750 -1.205 281 HD13 LEU 34 HD13 LEU 34 47.055 7.498 -1.030 282 HD21 LEU 34 HD21 LEU 34 47.607 9.559 -2.261 283 HD22 LEU 34 HD22 LEU 34 46.415 10.321 -3.312 284 HD23 LEU 34 HD23 LEU 34 47.193 8.818 -3.806 285 H LYS 35 HN LYS 35 41.462 9.264 -3.253 286 HA LYS 35 HA LYS 35 39.512 8.640 -4.188 287 HB2 LYS 35 HB2 LYS 35 40.082 10.746 -5.514 288 HB3 LYS 35 HB1 LYS 35 40.602 9.675 -6.807 289 HG2 LYS 35 HG2 LYS 35 38.376 8.761 -7.013 290 HG3 LYS 35 HG1 LYS 35 37.830 9.690 -5.617 291 HD2 LYS 35 HD2 LYS 35 37.105 10.766 -7.664 292 HD3 LYS 35 HD1 LYS 35 38.305 11.771 -6.852 293 HE2 LYS 35 HE2 LYS 35 40.034 10.889 -8.366 294 HE3 LYS 35 HE1 LYS 35 38.804 9.931 -9.191 295 HZ1 LYS 35 HZ1 LYS 35 39.281 11.985 -10.366 296 HZ2 LYS 35 HZ2 LYS 35 38.850 12.893 -9.007 297 HZ3 LYS 35 HZ3 LYS 35 37.688 11.974 -9.812 298 H VAL 36 HN VAL 36 41.579 6.702 -4.072 299 HA VAL 36 HA VAL 36 41.579 5.120 -6.441 300 HB VAL 36 HB VAL 36 42.201 4.299 -3.585 301 HG11 VAL 36 HG11 VAL 36 41.737 2.377 -5.020 302 HG12 VAL 36 HG12 VAL 36 43.444 2.443 -4.579 303 HG13 VAL 36 HG13 VAL 36 42.927 2.953 -6.186 304 HG21 VAL 36 HG21 VAL 36 44.546 4.625 -4.189 305 HG22 VAL 36 HG22 VAL 36 43.628 6.124 -4.352 306 HG23 VAL 36 HG23 VAL 36 44.059 5.193 -5.786 307 HA PRO 37 HA PRO 37 37.444 3.469 -6.164 308 HB2 PRO 37 HB2 PRO 37 38.137 0.978 -7.292 309 HB3 PRO 37 HB1 PRO 37 37.547 2.393 -8.167 310 HG2 PRO 37 HG2 PRO 37 40.337 1.427 -7.787 311 HG3 PRO 37 HG1 PRO 37 39.608 2.244 -9.181 312 HD2 PRO 37 HD2 PRO 37 41.244 3.533 -7.515 313 HD3 PRO 37 HD1 PRO 37 39.830 4.345 -8.219 314 H ARG 38 HN ARG 38 36.471 2.503 -4.500 315 HA ARG 38 HA ARG 38 37.952 1.440 -2.381 316 HB2 ARG 38 HB2 ARG 38 35.775 0.828 -1.372 317 HB3 ARG 38 HB1 ARG 38 35.862 2.492 -1.923 318 HG2 ARG 38 HG2 ARG 38 34.641 1.779 -3.986 319 HG3 ARG 38 HG1 ARG 38 34.420 0.202 -3.227 320 HD2 ARG 38 HD2 ARG 38 32.466 1.656 -2.907 321 HD3 ARG 38 HD1 ARG 38 33.232 1.227 -1.376 322 HE ARG 38 HE ARG 38 34.363 3.621 -2.146 323 HH11 ARG 38 HH11 ARG 38 31.130 2.481 -1.360 324 HH12 ARG 38 HH12 ARG 38 30.592 4.018 -0.783 325 HH21 ARG 38 HH21 ARG 38 33.658 5.647 -1.360 326 HH22 ARG 38 HH22 ARG 38 32.034 5.832 -0.786 327 H SER 39 HN SER 39 36.624 -0.151 -5.150 328 HA SER 39 HA SER 39 36.678 -2.787 -4.092 329 HB2 SER 39 HB2 SER 39 36.978 -1.892 -6.973 330 HB3 SER 39 HB1 SER 39 36.560 -3.516 -6.426 331 HG SER 39 HG SER 39 34.965 -1.372 -6.796 332 H SER 40 HN SER 40 39.043 -0.748 -5.744 333 HA SER 40 HA SER 40 41.073 -2.739 -5.921 334 HB2 SER 40 HB2 SER 40 41.046 -0.741 -7.390 335 HB3 SER 40 HB1 SER 40 41.314 0.289 -5.986 336 HG SER 40 HG SER 40 43.107 -1.805 -6.526 337 H VAL 41 HN VAL 41 40.160 -0.273 -3.608 338 HA VAL 41 HA VAL 41 42.386 -0.553 -1.884 339 HB VAL 41 HB VAL 41 39.569 0.344 -1.218 340 HG11 VAL 41 HG11 VAL 41 42.155 0.790 0.263 341 HG12 VAL 41 HG12 VAL 41 40.836 -0.264 0.770 342 HG13 VAL 41 HG13 VAL 41 40.589 1.480 0.688 343 HG21 VAL 41 HG21 VAL 41 40.446 2.619 -1.482 344 HG22 VAL 41 HG22 VAL 41 40.548 1.700 -2.984 345 HG23 VAL 41 HG23 VAL 41 41.994 1.955 -2.007 346 H GLN 42 HN GLN 42 39.191 -2.046 -1.989 347 HA GLN 42 HA GLN 42 39.323 -3.519 0.383 348 HB2 GLN 42 HB2 GLN 42 37.240 -3.202 -0.803 349 HB3 GLN 42 HB1 GLN 42 37.850 -4.085 -2.193 350 HG2 GLN 42 HG2 GLN 42 37.981 -6.116 -0.805 351 HG3 GLN 42 HG1 GLN 42 37.278 -5.210 0.535 352 HE21 GLN 42 HE21 GLN 42 35.128 -4.617 0.448 353 HE22 GLN 42 HE22 GLN 42 34.020 -5.332 -0.667 354 H THR 43 HN THR 43 40.378 -4.393 -2.897 355 HA THR 43 HA THR 43 40.982 -7.056 -2.133 356 HB THR 43 HB THR 43 40.490 -6.512 -4.480 357 HG1 THR 43 HG1 THR 43 42.426 -8.089 -3.576 358 HG21 THR 43 HG21 THR 43 43.200 -5.175 -4.488 359 HG22 THR 43 HG22 THR 43 41.649 -4.344 -4.603 360 HG23 THR 43 HG23 THR 43 42.163 -5.433 -5.891 361 H ILE 44 HN ILE 44 42.869 -4.072 -2.111 362 HA ILE 44 HA ILE 44 45.306 -5.533 -1.683 363 HB ILE 44 HB ILE 44 46.426 -3.377 -1.354 364 HG12 ILE 44 HG12 ILE 44 44.789 -1.350 -2.050 365 HG13 ILE 44 HG11 ILE 44 43.640 -2.355 -1.175 366 HG21 ILE 44 HG21 ILE 44 44.594 -3.420 -3.737 367 HG22 ILE 44 HG22 ILE 44 46.159 -4.218 -3.594 368 HG23 ILE 44 HG23 ILE 44 46.063 -2.456 -3.589 369 HD11 ILE 44 HD11 ILE 44 46.240 -1.285 -0.093 370 HD12 ILE 44 HD12 ILE 44 45.097 -2.298 0.789 371 HD13 ILE 44 HD13 ILE 44 44.626 -0.678 0.275 372 H VAL 45 HN VAL 45 42.914 -3.952 0.344 373 HA VAL 45 HA VAL 45 44.487 -4.220 2.717 374 HB VAL 45 HB VAL 45 42.429 -3.715 3.981 375 HG11 VAL 45 HG11 VAL 45 43.756 -1.881 3.128 376 HG12 VAL 45 HG12 VAL 45 42.041 -1.468 3.111 377 HG13 VAL 45 HG13 VAL 45 42.856 -1.915 1.611 378 HG21 VAL 45 HG21 VAL 45 40.348 -3.177 2.795 379 HG22 VAL 45 HG22 VAL 45 40.794 -4.877 2.639 380 HG23 VAL 45 HG23 VAL 45 41.073 -3.766 1.299 381 H ARG 46 HN ARG 46 42.227 -6.237 0.999 382 HA ARG 46 HA ARG 46 41.712 -8.137 2.999 383 HB2 ARG 46 HB2 ARG 46 40.495 -8.011 0.848 384 HB3 ARG 46 HB1 ARG 46 41.938 -8.563 0.012 385 HG2 ARG 46 HG2 ARG 46 41.822 -10.677 1.292 386 HG3 ARG 46 HG1 ARG 46 40.309 -10.118 2.009 387 HD2 ARG 46 HD2 ARG 46 40.829 -10.521 -0.932 388 HD3 ARG 46 HD1 ARG 46 39.918 -11.612 0.108 389 HE ARG 46 HE ARG 46 38.411 -9.587 0.454 390 HH11 ARG 46 HH11 ARG 46 40.189 -10.156 -2.521 391 HH12 ARG 46 HH12 ARG 46 39.007 -9.403 -3.531 392 HH21 ARG 46 HH21 ARG 46 36.830 -8.580 -0.894 393 HH22 ARG 46 HH22 ARG 46 37.094 -8.494 -2.600 394 H LYS 47 HN LYS 47 44.264 -7.934 0.557 395 HA LYS 47 HA LYS 47 45.585 -10.327 1.265 396 HB2 LYS 47 HB2 LYS 47 46.732 -7.840 -0.021 397 HB3 LYS 47 HB1 LYS 47 47.490 -9.425 0.001 398 HG2 LYS 47 HG2 LYS 47 45.579 -10.313 -1.294 399 HG3 LYS 47 HG1 LYS 47 44.922 -8.678 -1.379 400 HD2 LYS 47 HD2 LYS 47 46.930 -7.926 -2.551 401 HD3 LYS 47 HD1 LYS 47 47.605 -9.554 -2.451 402 HE2 LYS 47 HE2 LYS 47 45.662 -10.387 -3.747 403 HE3 LYS 47 HE1 LYS 47 45.105 -8.724 -3.919 404 HZ1 LYS 47 HZ1 LYS 47 46.335 -9.486 -5.860 405 HZ2 LYS 47 HZ2 LYS 47 47.697 -9.776 -4.907 406 HZ3 LYS 47 HZ3 LYS 47 47.131 -8.195 -5.109 407 H TYR 48 HN TYR 48 45.890 -6.980 2.364 408 HA TYR 48 HA TYR 48 48.168 -7.362 3.929 409 HB2 TYR 48 HB2 TYR 48 47.645 -5.154 3.330 410 HB3 TYR 48 HB1 TYR 48 45.976 -5.314 3.863 411 HD1 TYR 48 HD1 TYR 48 49.434 -5.503 5.228 412 HD2 TYR 48 HD2 TYR 48 45.386 -4.403 5.856 413 HE1 TYR 48 HE1 TYR 48 50.038 -4.574 7.403 414 HE2 TYR 48 HE2 TYR 48 45.948 -3.470 8.014 415 HH TYR 48 HH TYR 48 49.112 -2.800 8.942 416 H LYS 49 HN LYS 49 44.691 -7.483 4.665 417 HA LYS 49 HA LYS 49 44.965 -7.921 7.421 418 HB2 LYS 49 HB2 LYS 49 42.773 -8.733 5.518 419 HB3 LYS 49 HB1 LYS 49 42.675 -8.948 7.259 420 HG2 LYS 49 HG2 LYS 49 42.909 -6.523 7.563 421 HG3 LYS 49 HG1 LYS 49 42.971 -6.322 5.811 422 HD2 LYS 49 HD2 LYS 49 40.734 -5.854 6.604 423 HD3 LYS 49 HD1 LYS 49 40.724 -7.339 5.649 424 HE2 LYS 49 HE2 LYS 49 40.801 -8.650 7.738 425 HE3 LYS 49 HE1 LYS 49 40.751 -7.151 8.660 426 HZ1 LYS 49 HZ1 LYS 49 38.660 -8.105 6.795 427 HZ2 LYS 49 HZ2 LYS 49 38.595 -6.678 7.684 428 HZ3 LYS 49 HZ3 LYS 49 38.568 -8.167 8.478 429 H HIS 50 HN HIS 50 45.047 -10.133 4.690 430 HA HIS 50 HA HIS 50 45.054 -12.503 6.228 431 HB2 HIS 50 HB2 HIS 50 44.685 -12.430 3.747 432 HB3 HIS 50 HB1 HIS 50 46.401 -12.090 3.546 433 HD1 HIS 50 HD1 HIS 50 47.522 -14.162 2.778 434 HD2 HIS 50 HD2 HIS 50 44.585 -14.958 5.598 435 HE1 HIS 50 HE1 HIS 50 47.619 -16.637 3.165 436 H HIS 51 HN HIS 51 47.631 -10.372 5.066 437 HA HIS 51 HA HIS 51 49.778 -11.851 6.199 438 HB2 HIS 51 HB2 HIS 51 49.536 -8.926 5.452 439 HB3 HIS 51 HB1 HIS 51 51.023 -9.635 6.069 440 HD1 HIS 51 HD1 HIS 51 49.848 -8.567 3.019 441 HD2 HIS 51 HD2 HIS 51 51.418 -12.209 4.266 442 HE1 HIS 51 HE1 HIS 51 50.677 -9.683 0.941 443 H GLY 52 HN GLY 52 47.523 -9.503 7.415 444 HA2 GLY 52 HA2 GLY 52 48.818 -9.015 9.899 445 HA3 GLY 52 HA1 GLY 52 47.140 -8.661 9.513 446 H THR 53 HN THR 53 47.241 -11.695 8.678 447 HA THR 53 HA THR 53 46.375 -12.656 11.287 448 HB THR 53 HB THR 53 46.160 -14.079 8.623 449 HG1 THR 53 HG1 THR 53 45.084 -11.934 8.723 450 HG21 THR 53 HG21 THR 53 44.322 -15.270 9.736 451 HG22 THR 53 HG22 THR 53 44.619 -14.348 11.209 452 HG23 THR 53 HG23 THR 53 45.837 -15.475 10.615 453 H THR 54 HN THR 54 48.741 -13.237 8.745 454 HA THR 54 HA THR 54 49.854 -15.543 10.061 455 HB THR 54 HB THR 54 51.590 -15.321 8.195 456 HG1 THR 54 HG1 THR 54 51.081 -13.900 6.537 457 HG21 THR 54 HG21 THR 54 50.042 -16.178 6.489 458 HG22 THR 54 HG22 THR 54 48.675 -15.586 7.435 459 HG23 THR 54 HG23 THR 54 49.695 -16.875 8.072 460 H GLN 55 HN GLN 55 51.393 -12.537 8.927 461 HA GLN 55 HA GLN 55 53.450 -12.760 10.955 462 HB2 GLN 55 HB2 GLN 55 52.953 -10.697 8.804 463 HB3 GLN 55 HB1 GLN 55 54.326 -10.660 9.902 464 HG2 GLN 55 HG2 GLN 55 55.097 -12.797 9.033 465 HG3 GLN 55 HG1 GLN 55 53.701 -12.873 7.963 466 HE21 GLN 55 HE21 GLN 55 55.043 -12.991 6.169 467 HE22 GLN 55 HE22 GLN 55 55.886 -11.608 5.561 468 H HIS 56 HN HIS 56 50.600 -10.917 10.343 469 HA HIS 56 HA HIS 56 49.280 -9.650 11.648 470 HB2 HIS 56 HB2 HIS 56 49.777 -11.351 13.412 471 HB3 HIS 56 HB1 HIS 56 51.086 -10.320 13.975 472 HD1 HIS 56 HD1 HIS 56 47.386 -10.684 14.014 473 HD2 HIS 56 HD2 HIS 56 50.243 -7.967 15.330 474 HE1 HIS 56 HE1 HIS 56 46.173 -9.149 15.578 475 H HIS 57 HN HIS 57 50.015 -7.887 10.374 476 HA HIS 57 HA HIS 57 50.473 -5.684 10.177 477 HB2 HIS 57 HB2 HIS 57 49.306 -5.550 12.362 478 HB3 HIS 57 HB1 HIS 57 50.851 -5.744 13.177 479 HD1 HIS 57 HD1 HIS 57 49.096 -3.322 10.848 480 HD2 HIS 57 HD2 HIS 57 52.164 -3.407 13.648 481 HE1 HIS 57 HE1 HIS 57 49.770 -0.929 11.181 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 75.304 5.963 -16.627 2 H2 ALA 1 HT2 ALA 1 73.953 5.012 -16.303 3 H3 ALA 1 HT3 ALA 1 75.292 4.957 -15.269 4 HA ALA 1 HA ALA 1 74.949 7.283 -14.696 5 HB1 ALA 1 HB1 ALA 1 73.837 7.967 -16.750 6 HB2 ALA 1 HB2 ALA 1 72.853 8.368 -15.344 7 HB3 ALA 1 HB3 ALA 1 72.440 6.973 -16.339 8 H SER 2 HN SER 2 73.288 4.304 -14.675 9 HA SER 2 HA SER 2 72.025 3.172 -13.228 10 HB2 SER 2 HB2 SER 2 72.418 3.531 -10.794 11 HB3 SER 2 HB1 SER 2 73.912 3.431 -11.716 12 HG SER 2 HG SER 2 73.236 5.974 -11.661 13 H MET 3 HN MET 3 70.363 3.386 -11.323 14 HA MET 3 HA MET 3 68.314 5.141 -12.325 15 HB2 MET 3 HB2 MET 3 68.317 3.205 -10.002 16 HB3 MET 3 HB1 MET 3 66.905 4.085 -10.565 17 HG2 MET 3 HG2 MET 3 67.043 2.948 -12.713 18 HG3 MET 3 HG1 MET 3 68.478 2.082 -12.168 19 HE1 MET 3 HE1 MET 3 67.344 -0.232 -12.812 20 HE2 MET 3 HE2 MET 3 65.920 0.640 -13.377 21 HE3 MET 3 HE3 MET 3 65.741 -0.719 -12.267 22 H GLY 4 HN GLY 4 68.439 7.230 -11.789 23 HA2 GLY 4 HA2 GLY 4 69.694 8.203 -9.442 24 HA3 GLY 4 HA1 GLY 4 68.651 9.130 -10.515 25 H LYS 5 HN LYS 5 66.320 7.705 -10.346 26 HA LYS 5 HA LYS 5 65.420 6.961 -7.837 27 HB2 LYS 5 HB2 LYS 5 65.954 9.310 -7.200 28 HB3 LYS 5 HB1 LYS 5 64.811 9.872 -8.410 29 HG2 LYS 5 HG2 LYS 5 62.992 8.748 -7.208 30 HG3 LYS 5 HG1 LYS 5 64.145 8.199 -5.991 31 HD2 LYS 5 HD2 LYS 5 63.556 11.085 -6.652 32 HD3 LYS 5 HD1 LYS 5 62.880 10.204 -5.284 33 HE2 LYS 5 HE2 LYS 5 65.817 10.727 -5.765 34 HE3 LYS 5 HE1 LYS 5 64.793 11.601 -4.630 35 HZ1 LYS 5 HZ1 LYS 5 66.030 9.940 -3.462 36 HZ2 LYS 5 HZ2 LYS 5 65.510 8.725 -4.508 37 HZ3 LYS 5 HZ3 LYS 5 64.402 9.472 -3.473 38 H SER 6 HN SER 6 64.371 9.089 -10.492 39 HA SER 6 HA SER 6 62.686 8.980 -11.989 40 HB2 SER 6 HB2 SER 6 63.353 6.639 -12.425 41 HB3 SER 6 HB1 SER 6 62.363 6.097 -11.075 42 HG SER 6 HG SER 6 61.361 7.478 -13.349 43 H LYS 7 HN LYS 7 61.413 6.847 -9.466 44 HA LYS 7 HA LYS 7 59.870 8.872 -8.231 45 HB2 LYS 7 HB2 LYS 7 58.588 8.313 -10.410 46 HB3 LYS 7 HB1 LYS 7 58.228 6.773 -9.644 47 HG2 LYS 7 HG2 LYS 7 56.376 8.267 -9.320 48 HG3 LYS 7 HG1 LYS 7 57.174 7.998 -7.767 49 HD2 LYS 7 HD2 LYS 7 58.360 10.128 -8.005 50 HD3 LYS 7 HD1 LYS 7 57.584 10.390 -9.566 51 HE2 LYS 7 HE2 LYS 7 55.398 10.418 -8.459 52 HE3 LYS 7 HE1 LYS 7 56.187 10.168 -6.902 53 HZ1 LYS 7 HZ1 LYS 7 57.338 12.277 -7.189 54 HZ2 LYS 7 HZ2 LYS 7 55.665 12.496 -7.272 55 HZ3 LYS 7 HZ3 LYS 7 56.584 12.509 -8.685 56 H GLU 8 HN GLU 8 60.556 8.167 -6.284 57 HA GLU 8 HA GLU 8 60.743 5.355 -5.700 58 HB2 GLU 8 HB2 GLU 8 61.514 6.052 -3.490 59 HB3 GLU 8 HB1 GLU 8 62.383 6.888 -4.768 60 HG2 GLU 8 HG2 GLU 8 61.151 8.889 -4.388 61 HG3 GLU 8 HG1 GLU 8 60.069 8.069 -3.263 62 H ILE 9 HN ILE 9 58.252 7.556 -5.649 63 HA ILE 9 HA ILE 9 56.873 6.456 -3.360 64 HB ILE 9 HB ILE 9 55.688 8.288 -5.461 65 HG12 ILE 9 HG12 ILE 9 57.764 9.308 -4.633 66 HG13 ILE 9 HG11 ILE 9 56.357 10.187 -4.048 67 HG21 ILE 9 HG21 ILE 9 54.220 9.001 -3.628 68 HG22 ILE 9 HG22 ILE 9 55.014 7.856 -2.547 69 HG23 ILE 9 HG23 ILE 9 54.086 7.268 -3.925 70 HD11 ILE 9 HD11 ILE 9 56.576 9.061 -1.882 71 HD12 ILE 9 HD12 ILE 9 58.024 9.973 -2.308 72 HD13 ILE 9 HD13 ILE 9 58.004 8.218 -2.476 73 H SER 10 HN SER 10 57.357 4.318 -4.695 74 HA SER 10 HA SER 10 55.098 3.708 -6.450 75 HB2 SER 10 HB2 SER 10 56.450 1.579 -6.859 76 HB3 SER 10 HB1 SER 10 57.162 3.082 -7.445 77 HG SER 10 HG SER 10 58.816 2.317 -6.353 78 H GLN 11 HN GLN 11 56.932 1.764 -4.104 79 HA GLN 11 HA GLN 11 54.592 0.307 -3.323 80 HB2 GLN 11 HB2 GLN 11 56.873 -0.696 -3.342 81 HB3 GLN 11 HB1 GLN 11 57.321 0.362 -2.011 82 HG2 GLN 11 HG2 GLN 11 55.680 -0.701 -0.577 83 HG3 GLN 11 HG1 GLN 11 55.142 -1.716 -1.911 84 HE21 GLN 11 HE21 GLN 11 58.498 -0.929 -1.334 85 HE22 GLN 11 HE22 GLN 11 58.977 -2.522 -0.858 86 H ASP 12 HN ASP 12 56.083 3.197 -2.379 87 HA ASP 12 HA ASP 12 55.335 3.469 0.292 88 HB2 ASP 12 HB2 ASP 12 56.815 5.052 -0.891 89 HB3 ASP 12 HB1 ASP 12 55.444 5.618 -1.837 90 H LEU 13 HN LEU 13 53.496 3.854 -2.667 91 HA LEU 13 HA LEU 13 51.175 5.025 -1.537 92 HB2 LEU 13 HB2 LEU 13 51.427 3.266 -3.982 93 HB3 LEU 13 HB1 LEU 13 50.048 4.268 -3.590 94 HG LEU 13 HG LEU 13 52.813 5.309 -4.217 95 HD11 LEU 13 HD11 LEU 13 51.835 6.038 -6.333 96 HD12 LEU 13 HD12 LEU 13 50.318 5.246 -5.908 97 HD13 LEU 13 HD13 LEU 13 51.772 4.282 -6.166 98 HD21 LEU 13 HD21 LEU 13 51.554 6.782 -2.738 99 HD22 LEU 13 HD22 LEU 13 50.180 6.736 -3.842 100 HD23 LEU 13 HD23 LEU 13 51.695 7.485 -4.349 101 H ARG 14 HN ARG 14 52.254 1.729 -2.010 102 HA ARG 14 HA ARG 14 49.822 0.434 -1.360 103 HB2 ARG 14 HB2 ARG 14 52.673 -0.556 -1.317 104 HB3 ARG 14 HB1 ARG 14 51.268 -1.587 -1.079 105 HG2 ARG 14 HG2 ARG 14 50.500 -1.185 -3.294 106 HG3 ARG 14 HG1 ARG 14 51.700 0.083 -3.540 107 HD2 ARG 14 HD2 ARG 14 52.333 -2.001 -4.656 108 HD3 ARG 14 HD1 ARG 14 53.488 -1.552 -3.407 109 HE ARG 14 HE ARG 14 52.093 -3.231 -2.004 110 HH11 ARG 14 HH11 ARG 14 52.773 -3.553 -5.444 111 HH12 ARG 14 HH12 ARG 14 52.839 -5.280 -5.389 112 HH21 ARG 14 HH21 ARG 14 52.171 -5.522 -1.951 113 HH22 ARG 14 HH22 ARG 14 52.505 -6.401 -3.405 114 H LYS 15 HN LYS 15 52.709 1.200 0.559 115 HA LYS 15 HA LYS 15 51.633 0.026 2.934 116 HB2 LYS 15 HB2 LYS 15 53.510 1.169 4.093 117 HB3 LYS 15 HB1 LYS 15 54.031 0.202 2.721 118 HG2 LYS 15 HG2 LYS 15 54.301 2.167 1.371 119 HG3 LYS 15 HG1 LYS 15 53.624 3.182 2.642 120 HD2 LYS 15 HD2 LYS 15 56.158 1.563 2.898 121 HD3 LYS 15 HD1 LYS 15 56.101 3.283 2.510 122 HE2 LYS 15 HE2 LYS 15 54.882 3.654 4.654 123 HE3 LYS 15 HE1 LYS 15 55.144 1.955 5.043 124 HZ1 LYS 15 HZ1 LYS 15 56.809 3.310 6.086 125 HZ2 LYS 15 HZ2 LYS 15 57.250 3.998 4.605 126 HZ3 LYS 15 HZ3 LYS 15 57.536 2.358 4.893 127 H LYS 16 HN LYS 16 51.450 3.148 1.431 128 HA LYS 16 HA LYS 16 50.659 4.640 3.706 129 HB2 LYS 16 HB2 LYS 16 51.287 5.213 1.073 130 HB3 LYS 16 HB1 LYS 16 49.577 5.603 1.179 131 HG2 LYS 16 HG2 LYS 16 50.862 7.571 1.639 132 HG3 LYS 16 HG1 LYS 16 50.072 7.045 3.126 133 HD2 LYS 16 HD2 LYS 16 52.137 6.013 3.890 134 HD3 LYS 16 HD1 LYS 16 52.933 6.439 2.376 135 HE2 LYS 16 HE2 LYS 16 53.527 7.983 4.174 136 HE3 LYS 16 HE1 LYS 16 52.655 8.801 2.878 137 HZ1 LYS 16 HZ1 LYS 16 51.490 7.896 5.450 138 HZ2 LYS 16 HZ2 LYS 16 50.650 8.684 4.213 139 HZ3 LYS 16 HZ3 LYS 16 51.872 9.491 5.046 140 H ILE 17 HN ILE 17 48.807 3.123 1.075 141 HA ILE 17 HA ILE 17 46.284 3.966 1.964 142 HB ILE 17 HB ILE 17 46.688 3.097 -0.319 143 HG12 ILE 17 HG12 ILE 17 44.624 1.684 -0.502 144 HG13 ILE 17 HG11 ILE 17 44.557 1.650 1.257 145 HG21 ILE 17 HG21 ILE 17 46.869 0.401 1.001 146 HG22 ILE 17 HG22 ILE 17 48.170 1.260 0.177 147 HG23 ILE 17 HG23 ILE 17 46.773 0.686 -0.736 148 HD11 ILE 17 HD11 ILE 17 44.390 4.106 -0.470 149 HD12 ILE 17 HD12 ILE 17 44.325 4.076 1.291 150 HD13 ILE 17 HD13 ILE 17 43.045 3.310 0.348 151 H VAL 18 HN VAL 18 48.296 1.296 2.948 152 HA VAL 18 HA VAL 18 46.214 -0.015 4.445 153 HB VAL 18 HB VAL 18 49.212 -0.453 4.471 154 HG11 VAL 18 HG11 VAL 18 48.708 -2.579 5.580 155 HG12 VAL 18 HG12 VAL 18 47.001 -2.139 5.645 156 HG13 VAL 18 HG13 VAL 18 48.188 -1.204 6.554 157 HG21 VAL 18 HG21 VAL 18 47.000 -1.976 3.093 158 HG22 VAL 18 HG22 VAL 18 48.701 -2.443 3.124 159 HG23 VAL 18 HG23 VAL 18 48.209 -0.957 2.310 160 H ASP 19 HN ASP 19 49.047 1.990 5.195 161 HA ASP 19 HA ASP 19 48.867 1.878 7.982 162 HB2 ASP 19 HB2 ASP 19 50.862 2.725 6.910 163 HB3 ASP 19 HB1 ASP 19 49.963 4.069 6.213 164 H LEU 20 HN LEU 20 47.645 4.431 5.812 165 HA LEU 20 HA LEU 20 46.388 5.853 7.916 166 HB2 LEU 20 HB2 LEU 20 46.140 5.984 4.927 167 HB3 LEU 20 HB1 LEU 20 45.106 6.949 5.958 168 HG LEU 20 HG LEU 20 47.191 7.959 6.958 169 HD11 LEU 20 HD11 LEU 20 49.261 7.800 5.662 170 HD12 LEU 20 HD12 LEU 20 48.521 6.560 4.651 171 HD13 LEU 20 HD13 LEU 20 48.793 6.253 6.365 172 HD21 LEU 20 HD21 LEU 20 46.837 8.358 3.994 173 HD22 LEU 20 HD22 LEU 20 47.554 9.498 5.132 174 HD23 LEU 20 HD23 LEU 20 45.841 9.097 5.247 175 H HIS 21 HN HIS 21 45.442 3.139 6.044 176 HA HIS 21 HA HIS 21 42.640 3.221 6.259 177 HB2 HIS 21 HB2 HIS 21 44.074 1.548 4.930 178 HB3 HIS 21 HB1 HIS 21 44.342 0.741 6.451 179 HD1 HIS 21 HD1 HIS 21 41.419 1.673 4.220 180 HD2 HIS 21 HD2 HIS 21 42.478 -1.098 7.136 181 HE1 HIS 21 HE1 HIS 21 39.504 0.056 4.330 182 H LYS 22 HN LYS 22 45.148 2.074 8.400 183 HA LYS 22 HA LYS 22 43.237 1.088 10.343 184 HB2 LYS 22 HB2 LYS 22 46.251 1.050 10.319 185 HB3 LYS 22 HB1 LYS 22 45.220 0.206 11.469 186 HG2 LYS 22 HG2 LYS 22 44.537 -1.356 9.938 187 HG3 LYS 22 HG1 LYS 22 44.813 -0.287 8.565 188 HD2 LYS 22 HD2 LYS 22 46.505 -1.822 8.342 189 HD3 LYS 22 HD1 LYS 22 47.304 -0.510 9.197 190 HE2 LYS 22 HE2 LYS 22 46.125 -2.942 10.559 191 HE3 LYS 22 HE1 LYS 22 47.815 -2.807 10.093 192 HZ1 LYS 22 HZ1 LYS 22 46.416 -1.011 12.005 193 HZ2 LYS 22 HZ2 LYS 22 48.047 -0.934 11.583 194 HZ3 LYS 22 HZ3 LYS 22 47.459 -2.267 12.424 195 H SER 23 HN SER 23 44.696 4.000 9.664 196 HA SER 23 HA SER 23 45.038 4.876 12.380 197 HB2 SER 23 HB2 SER 23 44.950 6.463 9.804 198 HB3 SER 23 HB1 SER 23 45.450 7.087 11.377 199 HG SER 23 HG SER 23 47.151 5.565 11.364 200 H GLY 24 HN GLY 24 42.483 4.622 10.119 201 HA2 GLY 24 HA2 GLY 24 40.217 4.764 10.596 202 HA3 GLY 24 HA1 GLY 24 40.615 5.489 12.145 203 H SER 25 HN SER 25 41.445 7.773 12.017 204 HA SER 25 HA SER 25 39.482 9.348 10.757 205 HB2 SER 25 HB2 SER 25 40.968 11.259 11.546 206 HB3 SER 25 HB1 SER 25 40.389 10.146 12.788 207 HG SER 25 HG SER 25 42.649 10.654 12.924 208 H SER 26 HN SER 26 42.526 8.210 9.678 209 HA SER 26 HA SER 26 42.867 10.250 7.671 210 HB2 SER 26 HB2 SER 26 44.373 7.656 8.026 211 HB3 SER 26 HB1 SER 26 44.879 9.057 7.080 212 HG SER 26 HG SER 26 44.707 10.228 9.171 213 H LEU 27 HN LEU 27 40.698 7.859 7.861 214 HA LEU 27 HA LEU 27 40.922 6.457 5.417 215 HB2 LEU 27 HB2 LEU 27 39.352 6.140 7.535 216 HB3 LEU 27 HB1 LEU 27 38.248 7.121 6.598 217 HG LEU 27 HG LEU 27 37.738 4.750 6.364 218 HD11 LEU 27 HD11 LEU 27 38.850 5.905 3.819 219 HD12 LEU 27 HD12 LEU 27 37.235 6.176 4.474 220 HD13 LEU 27 HD13 LEU 27 37.709 4.565 3.935 221 HD21 LEU 27 HD21 LEU 27 39.271 3.209 5.270 222 HD22 LEU 27 HD22 LEU 27 39.973 3.854 6.754 223 HD23 LEU 27 HD23 LEU 27 40.497 4.471 5.188 224 H GLY 28 HN GLY 28 39.141 9.403 6.316 225 HA2 GLY 28 HA2 GLY 28 38.107 9.902 3.720 226 HA3 GLY 28 HA1 GLY 28 38.205 11.062 5.037 227 H ALA 29 HN ALA 29 41.204 10.328 5.078 228 HA ALA 29 HA ALA 29 42.023 12.505 3.408 229 HB1 ALA 29 HB1 ALA 29 43.086 12.095 5.582 230 HB2 ALA 29 HB2 ALA 29 44.263 12.073 4.269 231 HB3 ALA 29 HB3 ALA 29 43.708 10.558 4.983 232 H ILE 30 HN ILE 30 42.775 9.014 3.467 233 HA ILE 30 HA ILE 30 44.228 9.018 1.061 234 HB ILE 30 HB ILE 30 43.624 6.526 0.973 235 HG12 ILE 30 HG12 ILE 30 42.486 7.206 3.696 236 HG13 ILE 30 HG11 ILE 30 41.570 6.638 2.307 237 HG21 ILE 30 HG21 ILE 30 45.013 7.635 3.397 238 HG22 ILE 30 HG22 ILE 30 45.736 7.359 1.812 239 HG23 ILE 30 HG23 ILE 30 45.180 5.993 2.779 240 HD11 ILE 30 HD11 ILE 30 41.975 4.884 3.969 241 HD12 ILE 30 HD12 ILE 30 43.711 5.068 3.726 242 HD13 ILE 30 HD13 ILE 30 42.689 4.501 2.405 243 H SER 31 HN SER 31 40.792 8.544 1.683 244 HA SER 31 HA SER 31 40.067 7.804 -0.933 245 HB2 SER 31 HB2 SER 31 38.599 7.545 1.060 246 HB3 SER 31 HB1 SER 31 38.407 9.296 1.122 247 HG SER 31 HG SER 31 36.776 7.883 -0.041 248 H LYS 32 HN LYS 32 40.729 10.880 0.552 249 HA LYS 32 HA LYS 32 39.573 12.453 -1.553 250 HB2 LYS 32 HB2 LYS 32 39.613 13.299 0.730 251 HB3 LYS 32 HB1 LYS 32 41.364 13.211 0.753 252 HG2 LYS 32 HG2 LYS 32 40.687 15.494 0.444 253 HG3 LYS 32 HG1 LYS 32 41.452 14.911 -1.033 254 HD2 LYS 32 HD2 LYS 32 39.477 16.209 -1.575 255 HD3 LYS 32 HD1 LYS 32 39.224 14.517 -2.002 256 HE2 LYS 32 HE2 LYS 32 37.943 14.173 0.036 257 HE3 LYS 32 HE1 LYS 32 38.238 15.841 0.522 258 HZ1 LYS 32 HZ1 LYS 32 36.052 15.546 -0.463 259 HZ2 LYS 32 HZ2 LYS 32 36.749 14.994 -1.900 260 HZ3 LYS 32 HZ3 LYS 32 37.000 16.584 -1.394 261 H ARG 33 HN ARG 33 42.923 12.061 -0.375 262 HA ARG 33 HA ARG 33 43.928 13.440 -2.674 263 HB2 ARG 33 HB2 ARG 33 46.183 12.937 -1.704 264 HB3 ARG 33 HB1 ARG 33 45.096 13.844 -0.670 265 HG2 ARG 33 HG2 ARG 33 44.618 11.855 0.620 266 HG3 ARG 33 HG1 ARG 33 45.630 10.893 -0.457 267 HD2 ARG 33 HD2 ARG 33 46.567 13.196 1.248 268 HD3 ARG 33 HD1 ARG 33 46.801 11.487 1.614 269 HE ARG 33 HE ARG 33 47.846 11.950 -0.921 270 HH11 ARG 33 HH11 ARG 33 48.501 12.939 2.377 271 HH12 ARG 33 HH12 ARG 33 50.197 13.143 2.116 272 HH21 ARG 33 HH21 ARG 33 50.073 12.223 -1.280 273 HH22 ARG 33 HH22 ARG 33 51.099 12.725 0.020 274 H LEU 34 HN LEU 34 43.871 10.027 -1.714 275 HA LEU 34 HA LEU 34 45.505 9.295 -3.979 276 HB2 LEU 34 HB2 LEU 34 44.190 7.775 -1.770 277 HB3 LEU 34 HB1 LEU 34 44.629 6.913 -3.226 278 HG LEU 34 HG LEU 34 46.338 6.632 -1.537 279 HD11 LEU 34 HD11 LEU 34 48.290 7.326 -2.792 280 HD12 LEU 34 HD12 LEU 34 47.307 8.436 -3.743 281 HD13 LEU 34 HD13 LEU 34 47.042 6.697 -3.867 282 HD21 LEU 34 HD21 LEU 34 47.654 8.487 -0.690 283 HD22 LEU 34 HD22 LEU 34 45.952 8.702 -0.281 284 HD23 LEU 34 HD23 LEU 34 46.666 9.626 -1.605 285 H LYS 35 HN LYS 35 42.096 9.296 -3.129 286 HA LYS 35 HA LYS 35 40.204 9.008 -4.354 287 HB2 LYS 35 HB2 LYS 35 41.401 10.767 -5.742 288 HB3 LYS 35 HB1 LYS 35 41.967 9.465 -6.773 289 HG2 LYS 35 HG2 LYS 35 39.519 8.888 -7.133 290 HG3 LYS 35 HG1 LYS 35 39.158 10.445 -6.383 291 HD2 LYS 35 HD2 LYS 35 40.585 11.551 -8.067 292 HD3 LYS 35 HD1 LYS 35 40.857 9.986 -8.832 293 HE2 LYS 35 HE2 LYS 35 39.145 11.101 -10.057 294 HE3 LYS 35 HE1 LYS 35 38.388 9.800 -9.143 295 HZ1 LYS 35 HZ1 LYS 35 37.634 11.392 -7.519 296 HZ2 LYS 35 HZ2 LYS 35 37.138 11.893 -9.057 297 HZ3 LYS 35 HZ3 LYS 35 38.445 12.643 -8.313 298 H VAL 36 HN VAL 36 41.362 6.700 -3.577 299 HA VAL 36 HA VAL 36 41.531 4.952 -5.887 300 HB VAL 36 HB VAL 36 42.134 3.182 -4.178 301 HG11 VAL 36 HG11 VAL 36 44.426 4.097 -3.841 302 HG12 VAL 36 HG12 VAL 36 43.849 5.642 -4.469 303 HG13 VAL 36 HG13 VAL 36 43.841 4.214 -5.499 304 HG21 VAL 36 HG21 VAL 36 41.151 4.268 -2.214 305 HG22 VAL 36 HG22 VAL 36 42.316 5.586 -2.355 306 HG23 VAL 36 HG23 VAL 36 42.870 3.954 -1.977 307 HA PRO 37 HA PRO 37 37.355 3.540 -5.490 308 HB2 PRO 37 HB2 PRO 37 38.384 1.033 -6.673 309 HB3 PRO 37 HB1 PRO 37 37.124 2.118 -7.269 310 HG2 PRO 37 HG2 PRO 37 39.520 1.996 -8.447 311 HG3 PRO 37 HG1 PRO 37 38.635 3.526 -8.300 312 HD2 PRO 37 HD2 PRO 37 40.947 2.507 -6.703 313 HD3 PRO 37 HD1 PRO 37 40.610 4.148 -7.301 314 H ARG 38 HN ARG 38 36.185 2.131 -4.213 315 HA ARG 38 HA ARG 38 37.420 1.181 -1.879 316 HB2 ARG 38 HB2 ARG 38 34.688 0.843 -3.067 317 HB3 ARG 38 HB1 ARG 38 35.147 -0.084 -1.650 318 HG2 ARG 38 HG2 ARG 38 33.900 1.949 -1.075 319 HG3 ARG 38 HG1 ARG 38 35.524 1.954 -0.392 320 HD2 ARG 38 HD2 ARG 38 34.869 4.144 -1.326 321 HD3 ARG 38 HD1 ARG 38 36.287 3.461 -2.119 322 HE ARG 38 HE ARG 38 33.745 2.931 -3.410 323 HH11 ARG 38 HH11 ARG 38 36.581 5.003 -3.240 324 HH12 ARG 38 HH12 ARG 38 36.399 5.617 -4.841 325 HH21 ARG 38 HH21 ARG 38 33.503 3.751 -5.568 326 HH22 ARG 38 HH22 ARG 38 34.635 4.911 -6.163 327 H SER 39 HN SER 39 36.545 -0.376 -4.885 328 HA SER 39 HA SER 39 36.862 -3.043 -4.129 329 HB2 SER 39 HB2 SER 39 37.488 -1.802 -6.816 330 HB3 SER 39 HB1 SER 39 37.127 -3.501 -6.507 331 HG SER 39 HG SER 39 35.047 -2.870 -5.822 332 H SER 40 HN SER 40 39.237 -0.627 -5.166 333 HA SER 40 HA SER 40 41.448 -2.394 -5.273 334 HB2 SER 40 HB2 SER 40 41.400 0.598 -4.794 335 HB3 SER 40 HB1 SER 40 42.811 -0.349 -5.262 336 HG SER 40 HG SER 40 42.147 0.222 -7.181 337 H VAL 41 HN VAL 41 40.099 -0.292 -2.782 338 HA VAL 41 HA VAL 41 42.068 -0.685 -0.818 339 HB VAL 41 HB VAL 41 39.120 -0.132 -0.386 340 HG11 VAL 41 HG11 VAL 41 40.249 -0.849 1.651 341 HG12 VAL 41 HG12 VAL 41 39.836 0.864 1.735 342 HG13 VAL 41 HG13 VAL 41 41.496 0.373 1.404 343 HG21 VAL 41 HG21 VAL 41 41.421 1.789 -0.737 344 HG22 VAL 41 HG22 VAL 41 39.769 2.235 -0.307 345 HG23 VAL 41 HG23 VAL 41 40.107 1.516 -1.882 346 H GLN 42 HN GLN 42 38.976 -2.342 -1.381 347 HA GLN 42 HA GLN 42 39.139 -4.160 0.749 348 HB2 GLN 42 HB2 GLN 42 37.784 -4.501 -1.935 349 HB3 GLN 42 HB1 GLN 42 37.498 -5.507 -0.524 350 HG2 GLN 42 HG2 GLN 42 36.978 -2.545 -0.618 351 HG3 GLN 42 HG1 GLN 42 35.763 -3.775 -0.946 352 HE21 GLN 42 HE21 GLN 42 34.493 -3.101 0.751 353 HE22 GLN 42 HE22 GLN 42 34.901 -3.409 2.402 354 H THR 43 HN THR 43 40.608 -4.181 -2.404 355 HA THR 43 HA THR 43 41.319 -6.942 -2.347 356 HB THR 43 HB THR 43 42.404 -4.698 -4.066 357 HG1 THR 43 HG1 THR 43 40.246 -4.987 -4.519 358 HG21 THR 43 HG21 THR 43 42.607 -7.700 -4.406 359 HG22 THR 43 HG22 THR 43 43.937 -6.620 -3.988 360 HG23 THR 43 HG23 THR 43 43.161 -6.494 -5.567 361 H ILE 44 HN ILE 44 43.036 -3.914 -1.589 362 HA ILE 44 HA ILE 44 45.470 -5.319 -1.071 363 HB ILE 44 HB ILE 44 46.358 -3.156 -0.212 364 HG12 ILE 44 HG12 ILE 44 44.781 -1.148 -0.959 365 HG13 ILE 44 HG11 ILE 44 43.513 -2.315 -0.603 366 HG21 ILE 44 HG21 ILE 44 46.355 -2.018 -2.382 367 HG22 ILE 44 HG22 ILE 44 45.041 -3.068 -2.915 368 HG23 ILE 44 HG23 ILE 44 46.619 -3.755 -2.530 369 HD11 ILE 44 HD11 ILE 44 45.632 -1.365 1.313 370 HD12 ILE 44 HD12 ILE 44 44.366 -2.537 1.676 371 HD13 ILE 44 HD13 ILE 44 43.940 -0.868 1.295 372 H VAL 45 HN VAL 45 42.770 -4.305 0.915 373 HA VAL 45 HA VAL 45 44.146 -4.614 3.378 374 HB VAL 45 HB VAL 45 41.936 -4.686 4.476 375 HG11 VAL 45 HG11 VAL 45 41.189 -2.455 3.836 376 HG12 VAL 45 HG12 VAL 45 42.181 -2.544 2.380 377 HG13 VAL 45 HG13 VAL 45 42.946 -2.543 3.969 378 HG21 VAL 45 HG21 VAL 45 40.842 -4.645 1.672 379 HG22 VAL 45 HG22 VAL 45 39.892 -4.382 3.135 380 HG23 VAL 45 HG23 VAL 45 40.665 -5.943 2.853 381 H ARG 46 HN ARG 46 42.266 -6.839 1.384 382 HA ARG 46 HA ARG 46 42.203 -8.958 3.245 383 HB2 ARG 46 HB2 ARG 46 42.100 -9.018 0.226 384 HB3 ARG 46 HB1 ARG 46 41.792 -10.410 1.256 385 HG2 ARG 46 HG2 ARG 46 39.908 -9.226 2.278 386 HG3 ARG 46 HG1 ARG 46 40.213 -7.851 1.214 387 HD2 ARG 46 HD2 ARG 46 39.838 -9.317 -0.733 388 HD3 ARG 46 HD1 ARG 46 39.458 -10.642 0.367 389 HE ARG 46 HE ARG 46 37.839 -8.421 0.968 390 HH11 ARG 46 HH11 ARG 46 38.220 -10.918 -1.468 391 HH12 ARG 46 HH12 ARG 46 36.556 -10.880 -1.944 392 HH21 ARG 46 HH21 ARG 46 35.650 -8.375 0.352 393 HH22 ARG 46 HH22 ARG 46 35.086 -9.420 -0.909 394 H LYS 47 HN LYS 47 44.533 -8.015 0.798 395 HA LYS 47 HA LYS 47 46.214 -10.269 1.044 396 HB2 LYS 47 HB2 LYS 47 46.770 -7.447 0.136 397 HB3 LYS 47 HB1 LYS 47 47.965 -8.734 0.074 398 HG2 LYS 47 HG2 LYS 47 46.542 -9.999 -1.437 399 HG3 LYS 47 HG1 LYS 47 45.318 -8.729 -1.357 400 HD2 LYS 47 HD2 LYS 47 46.817 -7.150 -2.379 401 HD3 LYS 47 HD1 LYS 47 48.146 -8.310 -2.317 402 HE2 LYS 47 HE2 LYS 47 45.597 -8.641 -3.895 403 HE3 LYS 47 HE1 LYS 47 47.149 -8.148 -4.559 404 HZ1 LYS 47 HZ1 LYS 47 46.516 -10.752 -3.292 405 HZ2 LYS 47 HZ2 LYS 47 48.063 -10.288 -3.791 406 HZ3 LYS 47 HZ3 LYS 47 46.831 -10.478 -4.929 407 H TYR 48 HN TYR 48 46.173 -7.103 2.653 408 HA TYR 48 HA TYR 48 48.518 -7.531 4.104 409 HB2 TYR 48 HB2 TYR 48 47.782 -5.300 3.743 410 HB3 TYR 48 HB1 TYR 48 46.204 -5.638 4.455 411 HD1 TYR 48 HD1 TYR 48 49.815 -5.530 5.251 412 HD2 TYR 48 HD2 TYR 48 45.837 -5.273 6.694 413 HE1 TYR 48 HE1 TYR 48 50.665 -4.900 7.443 414 HE2 TYR 48 HE2 TYR 48 46.652 -4.632 8.884 415 HH TYR 48 HH TYR 48 49.802 -3.632 9.462 416 H LYS 49 HN LYS 49 45.076 -8.004 4.878 417 HA LYS 49 HA LYS 49 45.414 -8.656 7.584 418 HB2 LYS 49 HB2 LYS 49 43.301 -9.589 5.635 419 HB3 LYS 49 HB1 LYS 49 43.224 -9.850 7.368 420 HG2 LYS 49 HG2 LYS 49 43.295 -7.154 6.021 421 HG3 LYS 49 HG1 LYS 49 41.846 -7.956 6.621 422 HD2 LYS 49 HD2 LYS 49 44.218 -7.174 8.324 423 HD3 LYS 49 HD1 LYS 49 42.732 -6.237 8.174 424 HE2 LYS 49 HE2 LYS 49 41.469 -8.190 9.028 425 HE3 LYS 49 HE1 LYS 49 42.996 -9.036 9.268 426 HZ1 LYS 49 HZ1 LYS 49 42.220 -6.490 10.574 427 HZ2 LYS 49 HZ2 LYS 49 43.661 -7.330 10.833 428 HZ3 LYS 49 HZ3 LYS 49 42.188 -8.009 11.302 429 H HIS 50 HN HIS 50 45.429 -10.700 4.701 430 HA HIS 50 HA HIS 50 45.826 -13.129 6.136 431 HB2 HIS 50 HB2 HIS 50 44.891 -12.949 3.802 432 HB3 HIS 50 HB1 HIS 50 46.512 -12.560 3.242 433 HD1 HIS 50 HD1 HIS 50 48.213 -14.492 3.112 434 HD2 HIS 50 HD2 HIS 50 44.465 -15.641 4.481 435 HE1 HIS 50 HE1 HIS 50 48.226 -16.998 3.065 436 H HIS 51 HN HIS 51 47.919 -10.658 4.846 437 HA HIS 51 HA HIS 51 50.344 -12.157 5.063 438 HB2 HIS 51 HB2 HIS 51 50.054 -10.204 3.535 439 HB3 HIS 51 HB1 HIS 51 49.985 -9.155 4.943 440 HD1 HIS 51 HD1 HIS 51 52.147 -8.055 5.418 441 HD2 HIS 51 HD2 HIS 51 52.669 -11.760 3.613 442 HE1 HIS 51 HE1 HIS 51 54.625 -8.313 5.128 443 H GLY 52 HN GLY 52 48.475 -10.144 7.193 444 HA2 GLY 52 HA2 GLY 52 50.461 -9.599 9.122 445 HA3 GLY 52 HA1 GLY 52 48.726 -9.580 9.401 446 H THR 53 HN THR 53 48.399 -12.379 8.602 447 HA THR 53 HA THR 53 49.127 -13.554 11.138 448 HB THR 53 HB THR 53 47.822 -15.545 10.127 449 HG1 THR 53 HG1 THR 53 47.451 -15.190 8.059 450 HG21 THR 53 HG21 THR 53 46.910 -14.052 11.845 451 HG22 THR 53 HG22 THR 53 45.672 -14.496 10.670 452 HG23 THR 53 HG23 THR 53 46.429 -12.905 10.595 453 H THR 54 HN THR 54 49.846 -14.018 7.697 454 HA THR 54 HA THR 54 51.366 -16.376 8.046 455 HB THR 54 HB THR 54 52.325 -15.775 5.771 456 HG1 THR 54 HG1 THR 54 50.484 -14.002 5.073 457 HG21 THR 54 HG21 THR 54 50.212 -16.215 4.601 458 HG22 THR 54 HG22 THR 54 49.320 -15.829 6.073 459 HG23 THR 54 HG23 THR 54 50.382 -17.236 6.029 460 H GLN 55 HN GLN 55 52.224 -12.952 7.938 461 HA GLN 55 HA GLN 55 55.025 -13.530 8.338 462 HB2 GLN 55 HB2 GLN 55 54.318 -11.560 7.026 463 HB3 GLN 55 HB1 GLN 55 53.537 -10.897 8.453 464 HG2 GLN 55 HG2 GLN 55 55.748 -10.839 9.574 465 HG3 GLN 55 HG1 GLN 55 56.483 -11.369 8.062 466 HE21 GLN 55 HE21 GLN 55 57.701 -9.506 7.880 467 HE22 GLN 55 HE22 GLN 55 57.010 -7.975 7.464 468 H HIS 56 HN HIS 56 55.400 -14.467 10.254 469 HA HIS 56 HA HIS 56 54.775 -12.895 12.618 470 HB2 HIS 56 HB2 HIS 56 54.241 -15.049 13.873 471 HB3 HIS 56 HB1 HIS 56 53.017 -14.479 12.753 472 HD1 HIS 56 HD1 HIS 56 52.242 -16.096 10.998 473 HD2 HIS 56 HD2 HIS 56 55.733 -17.355 12.873 474 HE1 HIS 56 HE1 HIS 56 52.640 -18.430 10.176 475 H HIS 57 HN HIS 57 56.547 -12.490 13.676 476 HA HIS 57 HA HIS 57 58.938 -14.019 13.142 477 HB2 HIS 57 HB2 HIS 57 58.962 -11.518 13.336 478 HB3 HIS 57 HB1 HIS 57 58.564 -11.690 15.041 479 HD1 HIS 57 HD1 HIS 57 60.438 -12.825 16.564 480 HD2 HIS 57 HD2 HIS 57 61.618 -11.809 12.710 481 HE1 HIS 57 HE1 HIS 57 62.944 -12.899 16.589 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 67.200 8.660 -13.993 2 H2 ALA 1 HT2 ALA 1 68.505 8.933 -12.962 3 H3 ALA 1 HT3 ALA 1 67.392 7.711 -12.614 4 HA ALA 1 HA ALA 1 68.041 6.479 -14.540 5 HB1 ALA 1 HB1 ALA 1 68.610 8.410 -15.936 6 HB2 ALA 1 HB2 ALA 1 69.901 7.207 -15.921 7 HB3 ALA 1 HB3 ALA 1 70.056 8.681 -14.964 8 H SER 2 HN SER 2 69.179 7.617 -11.670 9 HA SER 2 HA SER 2 71.428 5.740 -11.658 10 HB2 SER 2 HB2 SER 2 70.996 8.120 -9.848 11 HB3 SER 2 HB1 SER 2 72.422 7.083 -9.894 12 HG SER 2 HG SER 2 72.549 9.122 -11.094 13 H MET 3 HN MET 3 69.361 7.206 -9.129 14 HA MET 3 HA MET 3 69.366 4.646 -7.742 15 HB2 MET 3 HB2 MET 3 69.865 6.668 -6.457 16 HB3 MET 3 HB1 MET 3 68.302 7.341 -6.889 17 HG2 MET 3 HG2 MET 3 67.188 5.540 -5.674 18 HG3 MET 3 HG1 MET 3 68.757 4.866 -5.239 19 HE1 MET 3 HE1 MET 3 67.963 4.887 -2.676 20 HE2 MET 3 HE2 MET 3 66.422 5.589 -3.171 21 HE3 MET 3 HE3 MET 3 67.349 6.329 -1.866 22 H GLY 4 HN GLY 4 67.275 6.539 -9.695 23 HA2 GLY 4 HA2 GLY 4 64.807 5.457 -8.703 24 HA3 GLY 4 HA1 GLY 4 65.012 6.432 -10.148 25 H LYS 5 HN LYS 5 66.898 3.543 -9.741 26 HA LYS 5 HA LYS 5 65.701 2.389 -12.084 27 HB2 LYS 5 HB2 LYS 5 67.853 1.379 -10.219 28 HB3 LYS 5 HB1 LYS 5 67.325 0.524 -11.664 29 HG2 LYS 5 HG2 LYS 5 68.041 2.382 -13.049 30 HG3 LYS 5 HG1 LYS 5 68.526 3.284 -11.613 31 HD2 LYS 5 HD2 LYS 5 70.181 1.559 -11.090 32 HD3 LYS 5 HD1 LYS 5 69.685 0.648 -12.517 33 HE2 LYS 5 HE2 LYS 5 70.404 2.438 -13.964 34 HE3 LYS 5 HE1 LYS 5 70.775 3.458 -12.577 35 HZ1 LYS 5 HZ1 LYS 5 72.499 1.904 -11.934 36 HZ2 LYS 5 HZ2 LYS 5 72.758 2.447 -13.517 37 HZ3 LYS 5 HZ3 LYS 5 72.128 0.905 -13.248 38 H SER 6 HN SER 6 63.783 1.545 -11.903 39 HA SER 6 HA SER 6 62.030 0.294 -11.260 40 HB2 SER 6 HB2 SER 6 63.985 -1.258 -9.551 41 HB3 SER 6 HB1 SER 6 62.403 -1.801 -10.105 42 HG SER 6 HG SER 6 63.966 -0.978 -12.169 43 H LYS 7 HN LYS 7 61.530 2.384 -10.209 44 HA LYS 7 HA LYS 7 61.379 2.064 -7.299 45 HB2 LYS 7 HB2 LYS 7 62.631 4.067 -8.022 46 HB3 LYS 7 HB1 LYS 7 61.230 4.610 -8.932 47 HG2 LYS 7 HG2 LYS 7 61.437 5.804 -6.818 48 HG3 LYS 7 HG1 LYS 7 59.958 4.844 -6.865 49 HD2 LYS 7 HD2 LYS 7 61.018 3.111 -5.523 50 HD3 LYS 7 HD1 LYS 7 62.532 4.017 -5.519 51 HE2 LYS 7 HE2 LYS 7 61.441 5.839 -4.314 52 HE3 LYS 7 HE1 LYS 7 59.913 4.960 -4.351 53 HZ1 LYS 7 HZ1 LYS 7 60.921 3.222 -3.016 54 HZ2 LYS 7 HZ2 LYS 7 61.039 4.709 -2.231 55 HZ3 LYS 7 HZ3 LYS 7 62.390 4.052 -2.994 56 H GLU 8 HN GLU 8 59.542 0.870 -7.218 57 HA GLU 8 HA GLU 8 57.195 1.656 -8.668 58 HB2 GLU 8 HB2 GLU 8 57.741 -0.507 -6.645 59 HB3 GLU 8 HB1 GLU 8 56.127 -0.190 -7.259 60 HG2 GLU 8 HG2 GLU 8 57.056 -2.012 -8.489 61 HG3 GLU 8 HG1 GLU 8 56.974 -0.615 -9.556 62 H ILE 9 HN ILE 9 56.061 3.344 -8.064 63 HA ILE 9 HA ILE 9 56.161 4.479 -5.462 64 HB ILE 9 HB ILE 9 54.329 5.952 -6.239 65 HG12 ILE 9 HG12 ILE 9 54.479 4.343 -8.800 66 HG13 ILE 9 HG11 ILE 9 53.166 4.253 -7.634 67 HG21 ILE 9 HG21 ILE 9 56.598 5.606 -8.198 68 HG22 ILE 9 HG22 ILE 9 56.637 6.548 -6.709 69 HG23 ILE 9 HG23 ILE 9 55.594 7.048 -8.039 70 HD11 ILE 9 HD11 ILE 9 52.622 6.582 -8.061 71 HD12 ILE 9 HD12 ILE 9 52.590 5.633 -9.548 72 HD13 ILE 9 HD13 ILE 9 53.960 6.689 -9.204 73 H SER 10 HN SER 10 54.270 2.001 -6.880 74 HA SER 10 HA SER 10 51.966 2.193 -5.252 75 HB2 SER 10 HB2 SER 10 53.128 -0.260 -6.585 76 HB3 SER 10 HB1 SER 10 51.475 -0.080 -5.998 77 HG SER 10 HG SER 10 52.637 1.615 -7.952 78 H GLN 11 HN GLN 11 55.144 0.925 -4.737 79 HA GLN 11 HA GLN 11 54.602 -0.758 -2.534 80 HB2 GLN 11 HB2 GLN 11 56.725 -0.802 -3.795 81 HB3 GLN 11 HB1 GLN 11 57.108 0.803 -3.192 82 HG2 GLN 11 HG2 GLN 11 57.038 -0.147 -0.880 83 HG3 GLN 11 HG1 GLN 11 56.895 -1.744 -1.615 84 HE21 GLN 11 HE21 GLN 11 58.639 -2.575 -2.765 85 HE22 GLN 11 HE22 GLN 11 60.240 -1.955 -2.571 86 H ASP 12 HN ASP 12 55.642 2.619 -2.787 87 HA ASP 12 HA ASP 12 55.582 3.157 -0.006 88 HB2 ASP 12 HB2 ASP 12 56.871 4.569 -1.507 89 HB3 ASP 12 HB1 ASP 12 55.411 5.024 -2.379 90 H LEU 13 HN LEU 13 53.289 3.608 -2.635 91 HA LEU 13 HA LEU 13 51.262 4.926 -1.280 92 HB2 LEU 13 HB2 LEU 13 51.293 4.537 -3.711 93 HB3 LEU 13 HB1 LEU 13 51.003 2.832 -3.439 94 HG LEU 13 HG LEU 13 48.803 3.393 -2.444 95 HD11 LEU 13 HD11 LEU 13 49.470 6.188 -3.351 96 HD12 LEU 13 HD12 LEU 13 49.281 5.645 -1.684 97 HD13 LEU 13 HD13 LEU 13 47.897 5.641 -2.774 98 HD21 LEU 13 HD21 LEU 13 48.971 2.760 -4.788 99 HD22 LEU 13 HD22 LEU 13 49.272 4.439 -5.235 100 HD23 LEU 13 HD23 LEU 13 47.712 3.973 -4.559 101 H ARG 14 HN ARG 14 51.698 1.418 -1.737 102 HA ARG 14 HA ARG 14 49.549 0.574 -0.160 103 HB2 ARG 14 HB2 ARG 14 50.565 -1.035 -1.570 104 HB3 ARG 14 HB1 ARG 14 52.159 -0.734 -0.901 105 HG2 ARG 14 HG2 ARG 14 50.460 -1.595 1.213 106 HG3 ARG 14 HG1 ARG 14 50.273 -2.707 -0.145 107 HD2 ARG 14 HD2 ARG 14 52.619 -3.138 -0.214 108 HD3 ARG 14 HD1 ARG 14 52.949 -1.836 0.925 109 HE ARG 14 HE ARG 14 51.463 -3.366 2.451 110 HH11 ARG 14 HH11 ARG 14 53.910 -4.395 0.168 111 HH12 ARG 14 HH12 ARG 14 54.422 -5.740 1.122 112 HH21 ARG 14 HH21 ARG 14 52.147 -5.155 3.726 113 HH22 ARG 14 HH22 ARG 14 53.418 -6.177 3.151 114 H LYS 15 HN LYS 15 52.880 1.336 0.703 115 HA LYS 15 HA LYS 15 52.834 0.444 3.354 116 HB2 LYS 15 HB2 LYS 15 54.848 1.155 1.997 117 HB3 LYS 15 HB1 LYS 15 54.381 2.818 2.306 118 HG2 LYS 15 HG2 LYS 15 56.145 2.088 3.812 119 HG3 LYS 15 HG1 LYS 15 54.665 2.466 4.699 120 HD2 LYS 15 HD2 LYS 15 54.145 0.139 4.948 121 HD3 LYS 15 HD1 LYS 15 55.455 -0.323 3.859 122 HE2 LYS 15 HE2 LYS 15 56.014 -0.682 6.237 123 HE3 LYS 15 HE1 LYS 15 57.099 0.458 5.447 124 HZ1 LYS 15 HZ1 LYS 15 55.920 2.271 6.460 125 HZ2 LYS 15 HZ2 LYS 15 56.392 1.186 7.663 126 HZ3 LYS 15 HZ3 LYS 15 54.788 1.225 7.145 127 H LYS 16 HN LYS 16 51.804 3.470 1.878 128 HA LYS 16 HA LYS 16 51.183 4.726 4.383 129 HB2 LYS 16 HB2 LYS 16 50.396 5.447 1.558 130 HB3 LYS 16 HB1 LYS 16 50.060 6.437 2.971 131 HG2 LYS 16 HG2 LYS 16 52.505 6.590 3.369 132 HG3 LYS 16 HG1 LYS 16 52.758 5.735 1.845 133 HD2 LYS 16 HD2 LYS 16 51.565 7.511 0.656 134 HD3 LYS 16 HD1 LYS 16 51.308 8.360 2.180 135 HE2 LYS 16 HE2 LYS 16 53.956 7.762 0.869 136 HE3 LYS 16 HE1 LYS 16 53.174 9.337 0.992 137 HZ1 LYS 16 HZ1 LYS 16 54.225 7.701 3.235 138 HZ2 LYS 16 HZ2 LYS 16 53.360 9.138 3.430 139 HZ3 LYS 16 HZ3 LYS 16 54.861 9.157 2.657 140 H ILE 17 HN ILE 17 49.387 3.095 1.822 141 HA ILE 17 HA ILE 17 46.788 3.508 2.641 142 HB ILE 17 HB ILE 17 48.023 1.041 1.399 143 HG12 ILE 17 HG12 ILE 17 48.134 3.054 0.013 144 HG13 ILE 17 HG11 ILE 17 47.022 1.882 -0.680 145 HG21 ILE 17 HG21 ILE 17 45.755 0.356 0.762 146 HG22 ILE 17 HG22 ILE 17 45.098 1.666 1.743 147 HG23 ILE 17 HG23 ILE 17 45.996 0.353 2.507 148 HD11 ILE 17 HD11 ILE 17 45.137 3.164 0.246 149 HD12 ILE 17 HD12 ILE 17 46.121 4.108 -0.872 150 HD13 ILE 17 HD13 ILE 17 46.278 4.359 0.866 151 H VAL 18 HN VAL 18 48.952 0.885 3.689 152 HA VAL 18 HA VAL 18 47.145 -0.327 5.473 153 HB VAL 18 HB VAL 18 50.168 -0.285 5.671 154 HG11 VAL 18 HG11 VAL 18 49.905 -2.397 6.889 155 HG12 VAL 18 HG12 VAL 18 48.152 -2.227 6.801 156 HG13 VAL 18 HG13 VAL 18 49.105 -1.064 7.722 157 HG21 VAL 18 HG21 VAL 18 50.086 -2.400 4.427 158 HG22 VAL 18 HG22 VAL 18 49.436 -1.063 3.482 159 HG23 VAL 18 HG23 VAL 18 48.343 -2.218 4.244 160 H ASP 19 HN ASP 19 49.658 2.109 6.023 161 HA ASP 19 HA ASP 19 49.370 2.342 8.808 162 HB2 ASP 19 HB2 ASP 19 51.305 3.213 7.572 163 HB3 ASP 19 HB1 ASP 19 50.282 4.423 6.811 164 H LEU 20 HN LEU 20 47.918 4.212 6.175 165 HA LEU 20 HA LEU 20 46.467 5.970 7.831 166 HB2 LEU 20 HB2 LEU 20 46.388 5.257 4.943 167 HB3 LEU 20 HB1 LEU 20 45.031 6.134 5.612 168 HG LEU 20 HG LEU 20 46.635 7.640 4.538 169 HD11 LEU 20 HD11 LEU 20 46.566 7.971 7.521 170 HD12 LEU 20 HD12 LEU 20 45.305 8.457 6.389 171 HD13 LEU 20 HD13 LEU 20 46.886 9.235 6.335 172 HD21 LEU 20 HD21 LEU 20 48.687 6.375 4.900 173 HD22 LEU 20 HD22 LEU 20 48.584 6.689 6.633 174 HD23 LEU 20 HD23 LEU 20 48.847 8.023 5.509 175 H HIS 21 HN HIS 21 45.684 2.808 6.487 176 HA HIS 21 HA HIS 21 42.932 2.892 7.185 177 HB2 HIS 21 HB2 HIS 21 44.821 0.713 6.434 178 HB3 HIS 21 HB1 HIS 21 43.324 0.259 7.243 179 HD1 HIS 21 HD1 HIS 21 41.078 1.011 6.004 180 HD2 HIS 21 HD2 HIS 21 44.568 1.272 3.777 181 HE1 HIS 21 HE1 HIS 21 40.337 1.292 3.615 182 H LYS 22 HN LYS 22 45.821 1.966 8.922 183 HA LYS 22 HA LYS 22 44.411 0.975 11.202 184 HB2 LYS 22 HB2 LYS 22 47.268 1.928 10.915 185 HB3 LYS 22 HB1 LYS 22 46.621 1.109 12.326 186 HG2 LYS 22 HG2 LYS 22 46.821 -0.057 9.553 187 HG3 LYS 22 HG1 LYS 22 47.899 -0.405 10.902 188 HD2 LYS 22 HD2 LYS 22 44.935 -0.997 10.806 189 HD3 LYS 22 HD1 LYS 22 46.228 -2.176 10.596 190 HE2 LYS 22 HE2 LYS 22 45.687 -0.551 13.085 191 HE3 LYS 22 HE1 LYS 22 45.308 -2.254 12.858 192 HZ1 LYS 22 HZ1 LYS 22 47.355 -1.954 14.102 193 HZ2 LYS 22 HZ2 LYS 22 48.042 -1.090 12.825 194 HZ3 LYS 22 HZ3 LYS 22 47.665 -2.720 12.629 195 H SER 23 HN SER 23 45.224 4.067 10.010 196 HA SER 23 HA SER 23 45.102 5.455 12.517 197 HB2 SER 23 HB2 SER 23 44.936 6.536 9.696 198 HB3 SER 23 HB1 SER 23 45.237 7.482 11.154 199 HG SER 23 HG SER 23 46.913 5.312 10.457 200 H GLY 24 HN GLY 24 42.841 4.363 10.150 201 HA2 GLY 24 HA2 GLY 24 40.543 4.231 10.324 202 HA3 GLY 24 HA1 GLY 24 40.640 5.125 11.829 203 H SER 25 HN SER 25 40.612 7.403 11.774 204 HA SER 25 HA SER 25 38.818 8.470 9.890 205 HB2 SER 25 HB2 SER 25 40.622 9.931 11.818 206 HB3 SER 25 HB1 SER 25 39.206 10.607 11.013 207 HG SER 25 HG SER 25 38.345 8.428 12.141 208 H SER 26 HN SER 26 42.331 8.810 10.203 209 HA SER 26 HA SER 26 42.724 10.785 8.276 210 HB2 SER 26 HB2 SER 26 44.660 8.555 8.877 211 HB3 SER 26 HB1 SER 26 45.027 10.211 8.388 212 HG SER 26 HG SER 26 44.891 10.807 10.398 213 H LEU 27 HN LEU 27 41.957 7.445 7.893 214 HA LEU 27 HA LEU 27 43.033 6.959 5.333 215 HB2 LEU 27 HB2 LEU 27 42.235 5.204 6.891 216 HB3 LEU 27 HB1 LEU 27 40.592 5.746 6.654 217 HG LEU 27 HG LEU 27 41.360 3.623 5.438 218 HD11 LEU 27 HD11 LEU 27 40.071 5.828 3.845 219 HD12 LEU 27 HD12 LEU 27 39.252 4.712 4.938 220 HD13 LEU 27 HD13 LEU 27 40.011 4.107 3.465 221 HD21 LEU 27 HD21 LEU 27 43.488 4.490 4.619 222 HD22 LEU 27 HD22 LEU 27 42.628 5.675 3.633 223 HD23 LEU 27 HD23 LEU 27 42.458 3.952 3.292 224 H GLY 28 HN GLY 28 40.044 8.442 6.424 225 HA2 GLY 28 HA2 GLY 28 38.690 8.443 3.953 226 HA3 GLY 28 HA1 GLY 28 38.379 9.535 5.294 227 H ALA 29 HN ALA 29 41.053 10.613 5.349 228 HA ALA 29 HA ALA 29 40.700 12.772 3.595 229 HB1 ALA 29 HB1 ALA 29 42.895 13.515 4.333 230 HB2 ALA 29 HB2 ALA 29 43.212 11.927 5.030 231 HB3 ALA 29 HB3 ALA 29 41.938 12.944 5.699 232 H ILE 30 HN ILE 30 43.022 10.053 3.459 233 HA ILE 30 HA ILE 30 44.130 10.930 0.991 234 HB ILE 30 HB ILE 30 45.265 8.782 0.843 235 HG12 ILE 30 HG12 ILE 30 43.827 7.907 3.347 236 HG13 ILE 30 HG11 ILE 30 43.252 7.479 1.740 237 HG21 ILE 30 HG21 ILE 30 45.269 9.834 3.668 238 HG22 ILE 30 HG22 ILE 30 46.182 10.503 2.316 239 HG23 ILE 30 HG23 ILE 30 46.546 8.883 2.908 240 HD11 ILE 30 HD11 ILE 30 45.932 6.759 2.908 241 HD12 ILE 30 HD12 ILE 30 45.361 6.334 1.297 242 HD13 ILE 30 HD13 ILE 30 44.551 5.680 2.719 243 H SER 31 HN SER 31 41.435 8.882 1.826 244 HA SER 31 HA SER 31 41.129 7.626 -0.677 245 HB2 SER 31 HB2 SER 31 40.015 6.961 1.511 246 HB3 SER 31 HB1 SER 31 38.888 8.292 1.245 247 HG SER 31 HG SER 31 37.886 7.143 -0.209 248 H LYS 32 HN LYS 32 39.980 10.694 0.621 249 HA LYS 32 HA LYS 32 38.346 11.351 -1.633 250 HB2 LYS 32 HB2 LYS 32 39.532 13.112 0.519 251 HB3 LYS 32 HB1 LYS 32 38.328 13.627 -0.651 252 HG2 LYS 32 HG2 LYS 32 36.701 12.123 0.279 253 HG3 LYS 32 HG1 LYS 32 37.912 11.429 1.361 254 HD2 LYS 32 HD2 LYS 32 38.175 13.612 2.452 255 HD3 LYS 32 HD1 LYS 32 36.950 14.289 1.379 256 HE2 LYS 32 HE2 LYS 32 35.277 12.795 2.299 257 HE3 LYS 32 HE1 LYS 32 36.496 12.017 3.310 258 HZ1 LYS 32 HZ1 LYS 32 36.797 14.066 4.509 259 HZ2 LYS 32 HZ2 LYS 32 35.156 13.663 4.521 260 HZ3 LYS 32 HZ3 LYS 32 35.720 14.880 3.498 261 H ARG 33 HN ARG 33 41.666 11.946 -0.691 262 HA ARG 33 HA ARG 33 42.217 13.874 -2.730 263 HB2 ARG 33 HB2 ARG 33 44.078 12.209 -1.039 264 HB3 ARG 33 HB1 ARG 33 44.589 13.521 -2.090 265 HG2 ARG 33 HG2 ARG 33 43.323 15.103 -0.756 266 HG3 ARG 33 HG1 ARG 33 42.742 13.790 0.270 267 HD2 ARG 33 HD2 ARG 33 45.055 13.294 0.922 268 HD3 ARG 33 HD1 ARG 33 45.620 14.626 -0.085 269 HE ARG 33 HE ARG 33 43.857 15.831 1.546 270 HH11 ARG 33 HH11 ARG 33 46.626 13.755 2.127 271 HH12 ARG 33 HH12 ARG 33 46.953 14.402 3.698 272 HH21 ARG 33 HH21 ARG 33 44.290 16.699 3.646 273 HH22 ARG 33 HH22 ARG 33 45.624 16.090 4.564 274 H LEU 34 HN LEU 34 43.025 10.438 -2.349 275 HA LEU 34 HA LEU 34 44.326 10.370 -4.921 276 HB2 LEU 34 HB2 LEU 34 43.686 8.138 -3.005 277 HB3 LEU 34 HB1 LEU 34 44.725 8.018 -4.412 278 HG LEU 34 HG LEU 34 45.280 9.775 -2.027 279 HD11 LEU 34 HD11 LEU 34 45.378 7.435 -1.402 280 HD12 LEU 34 HD12 LEU 34 47.003 8.123 -1.470 281 HD13 LEU 34 HD13 LEU 34 46.423 7.094 -2.780 282 HD21 LEU 34 HD21 LEU 34 47.525 9.946 -3.011 283 HD22 LEU 34 HD22 LEU 34 46.289 10.608 -4.078 284 HD23 LEU 34 HD23 LEU 34 46.977 9.017 -4.405 285 H LYS 35 HN LYS 35 41.232 9.455 -3.580 286 HA LYS 35 HA LYS 35 39.329 8.647 -4.486 287 HB2 LYS 35 HB2 LYS 35 40.573 9.911 -6.920 288 HB3 LYS 35 HB1 LYS 35 38.997 9.139 -6.985 289 HG2 LYS 35 HG2 LYS 35 39.731 11.435 -5.178 290 HG3 LYS 35 HG1 LYS 35 38.850 11.572 -6.703 291 HD2 LYS 35 HD2 LYS 35 37.108 10.066 -5.765 292 HD3 LYS 35 HD1 LYS 35 37.965 10.096 -4.225 293 HE2 LYS 35 HE2 LYS 35 37.651 12.498 -4.073 294 HE3 LYS 35 HE1 LYS 35 36.854 12.509 -5.646 295 HZ1 LYS 35 HZ1 LYS 35 35.117 11.099 -4.719 296 HZ2 LYS 35 HZ2 LYS 35 35.242 12.550 -3.866 297 HZ3 LYS 35 HZ3 LYS 35 35.875 11.131 -3.209 298 H VAL 36 HN VAL 36 41.565 6.850 -4.256 299 HA VAL 36 HA VAL 36 41.714 5.143 -6.516 300 HB VAL 36 HB VAL 36 42.242 4.446 -3.611 301 HG11 VAL 36 HG11 VAL 36 41.990 2.474 -5.028 302 HG12 VAL 36 HG12 VAL 36 43.663 2.665 -4.503 303 HG13 VAL 36 HG13 VAL 36 43.198 3.113 -6.144 304 HG21 VAL 36 HG21 VAL 36 44.140 5.452 -5.728 305 HG22 VAL 36 HG22 VAL 36 44.596 4.912 -4.110 306 HG23 VAL 36 HG23 VAL 36 43.586 6.345 -4.312 307 HA PRO 37 HA PRO 37 37.653 3.309 -6.450 308 HB2 PRO 37 HB2 PRO 37 39.256 0.975 -7.412 309 HB3 PRO 37 HB1 PRO 37 37.748 1.640 -8.052 310 HG2 PRO 37 HG2 PRO 37 40.055 2.140 -9.266 311 HG3 PRO 37 HG1 PRO 37 38.819 3.401 -9.115 312 HD2 PRO 37 HD2 PRO 37 41.390 3.085 -7.650 313 HD3 PRO 37 HD1 PRO 37 40.519 4.563 -8.109 314 H ARG 38 HN ARG 38 36.627 2.411 -4.803 315 HA ARG 38 HA ARG 38 37.876 1.430 -2.521 316 HB2 ARG 38 HB2 ARG 38 35.593 2.374 -2.587 317 HB3 ARG 38 HB1 ARG 38 35.034 0.930 -3.418 318 HG2 ARG 38 HG2 ARG 38 35.505 -0.425 -1.489 319 HG3 ARG 38 HG1 ARG 38 36.245 0.946 -0.661 320 HD2 ARG 38 HD2 ARG 38 34.095 2.121 -0.704 321 HD3 ARG 38 HD1 ARG 38 33.362 0.741 -1.515 322 HE ARG 38 HE ARG 38 34.014 -0.539 0.562 323 HH11 ARG 38 HH11 ARG 38 33.295 2.913 0.640 324 HH12 ARG 38 HH12 ARG 38 32.797 2.889 2.292 325 HH21 ARG 38 HH21 ARG 38 33.329 -0.552 2.759 326 HH22 ARG 38 HH22 ARG 38 32.808 0.928 3.497 327 H SER 39 HN SER 39 36.632 -0.287 -5.324 328 HA SER 39 HA SER 39 36.765 -2.887 -4.264 329 HB2 SER 39 HB2 SER 39 37.116 -2.027 -7.141 330 HB3 SER 39 HB1 SER 39 36.678 -3.640 -6.580 331 HG SER 39 HG SER 39 34.973 -1.963 -7.268 332 H SER 40 HN SER 40 39.183 -0.850 -5.822 333 HA SER 40 HA SER 40 41.166 -2.890 -6.000 334 HB2 SER 40 HB2 SER 40 41.557 0.109 -6.029 335 HB3 SER 40 HB1 SER 40 42.647 -1.113 -6.687 336 HG SER 40 HG SER 40 41.525 -0.458 -8.421 337 H VAL 41 HN VAL 41 40.338 -0.366 -3.693 338 HA VAL 41 HA VAL 41 42.594 -0.639 -2.007 339 HB VAL 41 HB VAL 41 39.798 0.291 -1.282 340 HG11 VAL 41 HG11 VAL 41 41.117 -0.273 0.684 341 HG12 VAL 41 HG12 VAL 41 40.888 1.472 0.566 342 HG13 VAL 41 HG13 VAL 41 42.432 0.753 0.112 343 HG21 VAL 41 HG21 VAL 41 42.204 1.878 -2.177 344 HG22 VAL 41 HG22 VAL 41 40.674 2.556 -1.626 345 HG23 VAL 41 HG23 VAL 41 40.732 1.604 -3.108 346 H GLN 42 HN GLN 42 39.428 -2.179 -2.096 347 HA GLN 42 HA GLN 42 39.530 -3.604 0.303 348 HB2 GLN 42 HB2 GLN 42 37.505 -3.373 -1.070 349 HB3 GLN 42 HB1 GLN 42 38.222 -4.396 -2.306 350 HG2 GLN 42 HG2 GLN 42 38.234 -6.277 -0.766 351 HG3 GLN 42 HG1 GLN 42 37.561 -5.254 0.504 352 HE21 GLN 42 HE21 GLN 42 36.932 -6.894 -2.487 353 HE22 GLN 42 HE22 GLN 42 35.210 -6.779 -2.422 354 H THR 43 HN THR 43 40.884 -4.341 -2.858 355 HA THR 43 HA THR 43 41.667 -6.987 -2.299 356 HB THR 43 HB THR 43 42.972 -5.035 -4.206 357 HG1 THR 43 HG1 THR 43 40.804 -6.851 -4.642 358 HG21 THR 43 HG21 THR 43 43.572 -7.068 -5.458 359 HG22 THR 43 HG22 THR 43 42.840 -8.053 -4.190 360 HG23 THR 43 HG23 THR 43 44.266 -7.081 -3.835 361 H ILE 44 HN ILE 44 43.316 -3.864 -1.974 362 HA ILE 44 HA ILE 44 45.829 -4.863 -1.151 363 HB ILE 44 HB ILE 44 44.547 -2.168 -0.639 364 HG12 ILE 44 HG12 ILE 44 44.959 -2.724 -3.018 365 HG13 ILE 44 HG11 ILE 44 45.932 -1.369 -2.465 366 HG21 ILE 44 HG21 ILE 44 46.251 -2.565 1.040 367 HG22 ILE 44 HG22 ILE 44 46.812 -1.356 -0.115 368 HG23 ILE 44 HG23 ILE 44 47.412 -3.012 -0.212 369 HD11 ILE 44 HD11 ILE 44 47.230 -2.846 -3.883 370 HD12 ILE 44 HD12 ILE 44 46.883 -4.206 -2.818 371 HD13 ILE 44 HD13 ILE 44 47.862 -2.862 -2.237 372 H VAL 45 HN VAL 45 43.079 -3.580 0.722 373 HA VAL 45 HA VAL 45 44.307 -3.866 3.218 374 HB VAL 45 HB VAL 45 42.079 -3.666 4.234 375 HG11 VAL 45 HG11 VAL 45 43.233 -1.663 3.536 376 HG12 VAL 45 HG12 VAL 45 41.496 -1.481 3.298 377 HG13 VAL 45 HG13 VAL 45 42.547 -1.806 1.919 378 HG21 VAL 45 HG21 VAL 45 41.078 -3.874 1.409 379 HG22 VAL 45 HG22 VAL 45 40.103 -3.355 2.783 380 HG23 VAL 45 HG23 VAL 45 40.750 -4.997 2.729 381 H ARG 46 HN ARG 46 42.283 -6.125 1.416 382 HA ARG 46 HA ARG 46 42.172 -8.030 3.521 383 HB2 ARG 46 HB2 ARG 46 40.520 -7.958 1.708 384 HB3 ARG 46 HB1 ARG 46 41.765 -8.413 0.555 385 HG2 ARG 46 HG2 ARG 46 42.021 -10.564 1.627 386 HG3 ARG 46 HG1 ARG 46 40.855 -10.107 2.870 387 HD2 ARG 46 HD2 ARG 46 40.272 -10.295 -0.078 388 HD3 ARG 46 HD1 ARG 46 39.867 -11.527 1.115 389 HE ARG 46 HE ARG 46 38.715 -9.253 2.077 390 HH11 ARG 46 HH11 ARG 46 38.523 -10.998 -0.966 391 HH12 ARG 46 HH12 ARG 46 36.882 -10.543 -1.269 392 HH21 ARG 46 HH21 ARG 46 36.538 -8.634 1.659 393 HH22 ARG 46 HH22 ARG 46 35.748 -9.200 0.231 394 H LYS 47 HN LYS 47 44.427 -7.378 0.938 395 HA LYS 47 HA LYS 47 45.742 -9.883 1.058 396 HB2 LYS 47 HB2 LYS 47 45.839 -8.328 -0.894 397 HB3 LYS 47 HB1 LYS 47 46.877 -7.271 0.053 398 HG2 LYS 47 HG2 LYS 47 48.627 -8.860 0.090 399 HG3 LYS 47 HG1 LYS 47 47.572 -10.141 -0.507 400 HD2 LYS 47 HD2 LYS 47 49.018 -9.370 -2.293 401 HD3 LYS 47 HD1 LYS 47 47.348 -8.923 -2.643 402 HE2 LYS 47 HE2 LYS 47 47.804 -6.653 -1.807 403 HE3 LYS 47 HE1 LYS 47 49.479 -7.117 -1.505 404 HZ1 LYS 47 HZ1 LYS 47 49.318 -5.964 -3.592 405 HZ2 LYS 47 HZ2 LYS 47 48.119 -7.018 -4.139 406 HZ3 LYS 47 HZ3 LYS 47 49.686 -7.585 -3.900 407 H TYR 48 HN TYR 48 46.327 -6.758 2.694 408 HA TYR 48 HA TYR 48 48.684 -7.828 3.929 409 HB2 TYR 48 HB2 TYR 48 48.932 -5.780 5.145 410 HB3 TYR 48 HB1 TYR 48 48.424 -5.358 3.524 411 HD1 TYR 48 HD1 TYR 48 46.882 -6.015 6.890 412 HD2 TYR 48 HD2 TYR 48 46.859 -3.665 3.343 413 HE1 TYR 48 HE1 TYR 48 45.146 -4.579 7.862 414 HE2 TYR 48 HE2 TYR 48 45.113 -2.226 4.309 415 HH TYR 48 HH TYR 48 44.190 -2.450 7.645 416 H LYS 49 HN LYS 49 45.339 -7.915 4.597 417 HA LYS 49 HA LYS 49 45.532 -8.545 7.363 418 HB2 LYS 49 HB2 LYS 49 43.378 -9.074 5.314 419 HB3 LYS 49 HB1 LYS 49 43.221 -9.533 7.004 420 HG2 LYS 49 HG2 LYS 49 43.382 -7.227 7.689 421 HG3 LYS 49 HG1 LYS 49 43.671 -6.724 6.025 422 HD2 LYS 49 HD2 LYS 49 41.449 -7.575 5.402 423 HD3 LYS 49 HD1 LYS 49 41.165 -8.029 7.082 424 HE2 LYS 49 HE2 LYS 49 41.681 -5.233 6.073 425 HE3 LYS 49 HE1 LYS 49 40.104 -5.889 6.508 426 HZ1 LYS 49 HZ1 LYS 49 42.402 -5.552 8.364 427 HZ2 LYS 49 HZ2 LYS 49 40.887 -6.164 8.779 428 HZ3 LYS 49 HZ3 LYS 49 41.041 -4.552 8.289 429 H HIS 50 HN HIS 50 45.555 -10.406 4.379 430 HA HIS 50 HA HIS 50 45.660 -12.953 5.660 431 HB2 HIS 50 HB2 HIS 50 44.979 -12.675 3.284 432 HB3 HIS 50 HB1 HIS 50 46.624 -12.187 2.892 433 HD1 HIS 50 HD1 HIS 50 48.065 -14.024 2.075 434 HD2 HIS 50 HD2 HIS 50 44.978 -15.431 4.468 435 HE1 HIS 50 HE1 HIS 50 48.288 -16.522 2.048 436 H HIS 51 HN HIS 51 48.037 -10.603 4.614 437 HA HIS 51 HA HIS 51 50.355 -12.105 5.032 438 HB2 HIS 51 HB2 HIS 51 50.379 -9.892 3.952 439 HB3 HIS 51 HB1 HIS 51 49.919 -9.138 5.471 440 HD1 HIS 51 HD1 HIS 51 51.767 -8.687 7.173 441 HD2 HIS 51 HD2 HIS 51 53.072 -10.808 3.841 442 HE1 HIS 51 HE1 HIS 51 54.274 -8.696 7.322 443 H GLY 52 HN GLY 52 48.360 -10.221 7.232 444 HA2 GLY 52 HA2 GLY 52 50.022 -10.647 9.517 445 HA3 GLY 52 HA1 GLY 52 48.387 -10.005 9.521 446 H THR 53 HN THR 53 47.894 -12.655 7.852 447 HA THR 53 HA THR 53 46.763 -14.070 10.037 448 HB THR 53 HB THR 53 47.168 -15.087 7.210 449 HG1 THR 53 HG1 THR 53 45.749 -13.024 8.017 450 HG21 THR 53 HG21 THR 53 45.236 -16.514 7.725 451 HG22 THR 53 HG22 THR 53 45.182 -15.859 9.360 452 HG23 THR 53 HG23 THR 53 46.563 -16.826 8.843 453 H THR 54 HN THR 54 49.109 -15.464 7.640 454 HA THR 54 HA THR 54 50.617 -16.368 10.005 455 HB THR 54 HB THR 54 50.100 -18.254 7.700 456 HG1 THR 54 HG1 THR 54 48.635 -17.907 10.127 457 HG21 THR 54 HG21 THR 54 50.745 -19.960 9.339 458 HG22 THR 54 HG22 THR 54 50.947 -18.717 10.572 459 HG23 THR 54 HG23 THR 54 52.020 -18.753 9.171 460 H GLN 55 HN GLN 55 50.743 -14.780 7.124 461 HA GLN 55 HA GLN 55 53.310 -15.768 6.246 462 HB2 GLN 55 HB2 GLN 55 51.444 -13.648 5.222 463 HB3 GLN 55 HB1 GLN 55 53.080 -13.791 4.597 464 HG2 GLN 55 HG2 GLN 55 51.533 -14.923 3.137 465 HG3 GLN 55 HG1 GLN 55 52.597 -16.096 3.904 466 HE21 GLN 55 HE21 GLN 55 51.216 -17.782 3.598 467 HE22 GLN 55 HE22 GLN 55 49.729 -17.972 4.459 468 H HIS 56 HN HIS 56 54.488 -15.326 8.150 469 HA HIS 56 HA HIS 56 55.922 -14.171 9.461 470 HB2 HIS 56 HB2 HIS 56 55.833 -12.226 7.143 471 HB3 HIS 56 HB1 HIS 56 56.926 -12.052 8.509 472 HD1 HIS 56 HD1 HIS 56 59.160 -13.065 8.163 473 HD2 HIS 56 HD2 HIS 56 56.268 -14.865 5.785 474 HE1 HIS 56 HE1 HIS 56 60.397 -14.738 6.761 475 H HIS 57 HN HIS 57 53.837 -14.069 10.711 476 HA HIS 57 HA HIS 57 52.360 -11.681 10.947 477 HB2 HIS 57 HB2 HIS 57 51.492 -13.827 11.730 478 HB3 HIS 57 HB1 HIS 57 52.771 -13.932 12.932 479 HD1 HIS 57 HD1 HIS 57 49.395 -12.558 12.355 480 HD2 HIS 57 HD2 HIS 57 52.465 -12.075 15.116 481 HE1 HIS 57 HE1 HIS 57 48.355 -11.402 14.318 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 52.291 -1.322 -25.759 2 H2 ALA 1 HT2 ALA 1 50.926 -0.694 -24.983 3 H3 ALA 1 HT3 ALA 1 51.106 -2.369 -25.165 4 HA ALA 1 HA ALA 1 52.868 -0.625 -23.560 5 HB1 ALA 1 HB1 ALA 1 51.870 -1.658 -21.611 6 HB2 ALA 1 HB2 ALA 1 50.825 -2.642 -22.633 7 HB3 ALA 1 HB3 ALA 1 50.614 -0.894 -22.584 8 H SER 2 HN SER 2 54.859 -1.452 -23.838 9 HA SER 2 HA SER 2 55.227 -4.261 -24.359 10 HB2 SER 2 HB2 SER 2 57.677 -3.603 -24.360 11 HB3 SER 2 HB1 SER 2 56.668 -2.797 -25.560 12 HG SER 2 HG SER 2 57.781 -1.176 -24.655 13 H MET 3 HN MET 3 56.016 -2.003 -21.763 14 HA MET 3 HA MET 3 56.906 -4.227 -20.081 15 HB2 MET 3 HB2 MET 3 56.952 -1.249 -19.576 16 HB3 MET 3 HB1 MET 3 57.663 -2.474 -18.535 17 HG2 MET 3 HG2 MET 3 59.266 -3.054 -20.228 18 HG3 MET 3 HG1 MET 3 58.496 -1.967 -21.381 19 HE1 MET 3 HE1 MET 3 60.800 -0.584 -17.622 20 HE2 MET 3 HE2 MET 3 60.671 -2.266 -18.133 21 HE3 MET 3 HE3 MET 3 59.247 -1.414 -17.539 22 H GLY 4 HN GLY 4 54.087 -2.930 -20.880 23 HA2 GLY 4 HA2 GLY 4 52.047 -3.527 -19.820 24 HA3 GLY 4 HA1 GLY 4 52.893 -3.550 -18.276 25 H LYS 5 HN LYS 5 50.469 -2.197 -18.690 26 HA LYS 5 HA LYS 5 51.122 0.597 -19.005 27 HB2 LYS 5 HB2 LYS 5 48.991 -0.170 -19.871 28 HB3 LYS 5 HB1 LYS 5 48.520 -0.756 -18.281 29 HG2 LYS 5 HG2 LYS 5 48.535 1.534 -17.432 30 HG3 LYS 5 HG1 LYS 5 49.013 2.121 -19.024 31 HD2 LYS 5 HD2 LYS 5 46.940 1.298 -19.976 32 HD3 LYS 5 HD1 LYS 5 46.471 0.621 -18.415 33 HE2 LYS 5 HE2 LYS 5 46.966 3.547 -18.954 34 HE3 LYS 5 HE1 LYS 5 45.376 2.791 -18.904 35 HZ1 LYS 5 HZ1 LYS 5 45.726 2.227 -16.604 36 HZ2 LYS 5 HZ2 LYS 5 45.983 3.885 -16.809 37 HZ3 LYS 5 HZ3 LYS 5 47.300 2.843 -16.642 38 H SER 6 HN SER 6 52.374 1.271 -17.393 39 HA SER 6 HA SER 6 51.150 1.817 -14.889 40 HB2 SER 6 HB2 SER 6 51.884 -0.508 -14.462 41 HB3 SER 6 HB1 SER 6 53.530 -0.059 -14.904 42 HG SER 6 HG SER 6 53.686 0.335 -12.843 43 H LYS 7 HN LYS 7 51.706 3.864 -14.714 44 HA LYS 7 HA LYS 7 54.251 4.777 -15.761 45 HB2 LYS 7 HB2 LYS 7 52.276 6.098 -16.286 46 HB3 LYS 7 HB1 LYS 7 51.910 6.279 -14.579 47 HG2 LYS 7 HG2 LYS 7 52.884 8.310 -15.484 48 HG3 LYS 7 HG1 LYS 7 53.942 7.590 -14.271 49 HD2 LYS 7 HD2 LYS 7 55.291 6.589 -16.070 50 HD3 LYS 7 HD1 LYS 7 54.246 7.361 -17.264 51 HE2 LYS 7 HE2 LYS 7 54.860 9.556 -16.335 52 HE3 LYS 7 HE1 LYS 7 55.944 8.752 -15.202 53 HZ1 LYS 7 HZ1 LYS 7 57.061 9.641 -17.185 54 HZ2 LYS 7 HZ2 LYS 7 56.180 8.571 -18.152 55 HZ3 LYS 7 HZ3 LYS 7 57.274 7.973 -17.012 56 H GLU 8 HN GLU 8 52.724 4.069 -12.741 57 HA GLU 8 HA GLU 8 55.209 4.626 -11.364 58 HB2 GLU 8 HB2 GLU 8 53.887 6.751 -11.314 59 HB3 GLU 8 HB1 GLU 8 52.630 5.890 -10.437 60 HG2 GLU 8 HG2 GLU 8 54.322 5.383 -8.675 61 HG3 GLU 8 HG1 GLU 8 55.440 6.446 -9.527 62 H ILE 9 HN ILE 9 55.574 2.839 -10.256 63 HA ILE 9 HA ILE 9 53.375 1.203 -9.336 64 HB ILE 9 HB ILE 9 55.240 0.018 -10.308 65 HG12 ILE 9 HG12 ILE 9 55.297 -0.399 -7.310 66 HG13 ILE 9 HG11 ILE 9 54.076 -1.051 -8.396 67 HG21 ILE 9 HG21 ILE 9 56.981 1.314 -8.225 68 HG22 ILE 9 HG22 ILE 9 56.992 1.642 -9.957 69 HG23 ILE 9 HG23 ILE 9 57.494 0.062 -9.355 70 HD11 ILE 9 HD11 ILE 9 55.718 -2.733 -7.816 71 HD12 ILE 9 HD12 ILE 9 57.014 -1.706 -8.431 72 HD13 ILE 9 HD13 ILE 9 55.802 -2.354 -9.537 73 H SER 10 HN SER 10 52.839 0.865 -7.189 74 HA SER 10 HA SER 10 53.512 3.116 -5.500 75 HB2 SER 10 HB2 SER 10 51.450 0.955 -5.114 76 HB3 SER 10 HB1 SER 10 51.592 2.437 -4.172 77 HG SER 10 HG SER 10 51.538 3.102 -6.739 78 H GLN 11 HN GLN 11 55.468 2.770 -4.507 79 HA GLN 11 HA GLN 11 55.747 0.385 -2.834 80 HB2 GLN 11 HB2 GLN 11 57.664 2.606 -3.543 81 HB3 GLN 11 HB1 GLN 11 57.987 1.519 -2.209 82 HG2 GLN 11 HG2 GLN 11 59.179 0.658 -4.019 83 HG3 GLN 11 HG1 GLN 11 57.757 -0.370 -3.872 84 HE21 GLN 11 HE21 GLN 11 57.808 2.856 -5.236 85 HE22 GLN 11 HE22 GLN 11 57.419 2.377 -6.847 86 H ASP 12 HN ASP 12 56.252 3.866 -2.390 87 HA ASP 12 HA ASP 12 56.011 3.839 0.412 88 HB2 ASP 12 HB2 ASP 12 57.132 5.669 -0.700 89 HB3 ASP 12 HB1 ASP 12 55.662 6.096 -1.569 90 H LEU 13 HN LEU 13 53.684 4.643 -2.125 91 HA LEU 13 HA LEU 13 51.574 5.405 -0.458 92 HB2 LEU 13 HB2 LEU 13 51.653 5.829 -2.877 93 HB3 LEU 13 HB1 LEU 13 51.432 4.121 -3.182 94 HG LEU 13 HG LEU 13 49.203 4.275 -2.050 95 HD11 LEU 13 HD11 LEU 13 49.758 7.235 -2.181 96 HD12 LEU 13 HD12 LEU 13 49.604 6.266 -0.716 97 HD13 LEU 13 HD13 LEU 13 48.211 6.494 -1.773 98 HD21 LEU 13 HD21 LEU 13 48.095 5.357 -3.949 99 HD22 LEU 13 HD22 LEU 13 49.398 4.292 -4.475 100 HD23 LEU 13 HD23 LEU 13 49.640 6.039 -4.456 101 H ARG 14 HN ARG 14 52.683 2.233 -1.447 102 HA ARG 14 HA ARG 14 50.344 0.835 -0.636 103 HB2 ARG 14 HB2 ARG 14 51.952 -0.113 -2.241 104 HB3 ARG 14 HB1 ARG 14 53.167 -0.195 -0.975 105 HG2 ARG 14 HG2 ARG 14 51.961 -1.871 0.194 106 HG3 ARG 14 HG1 ARG 14 50.536 -1.642 -0.821 107 HD2 ARG 14 HD2 ARG 14 51.805 -3.663 -1.422 108 HD3 ARG 14 HD1 ARG 14 51.722 -2.501 -2.744 109 HE ARG 14 HE ARG 14 54.076 -1.976 -1.388 110 HH11 ARG 14 HH11 ARG 14 52.679 -4.653 -3.168 111 HH12 ARG 14 HH12 ARG 14 54.203 -5.274 -3.694 112 HH21 ARG 14 HH21 ARG 14 56.105 -2.793 -2.083 113 HH22 ARG 14 HH22 ARG 14 56.164 -4.207 -3.075 114 H LYS 15 HN LYS 15 53.258 1.874 0.982 115 HA LYS 15 HA LYS 15 52.624 0.440 3.398 116 HB2 LYS 15 HB2 LYS 15 54.760 2.342 2.565 117 HB3 LYS 15 HB1 LYS 15 54.422 2.195 4.283 118 HG2 LYS 15 HG2 LYS 15 56.239 0.737 3.661 119 HG3 LYS 15 HG1 LYS 15 54.843 -0.220 4.146 120 HD2 LYS 15 HD2 LYS 15 54.283 -0.574 1.777 121 HD3 LYS 15 HD1 LYS 15 55.702 0.364 1.312 122 HE2 LYS 15 HE2 LYS 15 56.107 -2.065 1.204 123 HE3 LYS 15 HE1 LYS 15 57.165 -1.255 2.355 124 HZ1 LYS 15 HZ1 LYS 15 55.777 -2.027 4.152 125 HZ2 LYS 15 HZ2 LYS 15 56.253 -3.344 3.209 126 HZ3 LYS 15 HZ3 LYS 15 54.687 -2.731 3.068 127 H LYS 16 HN LYS 16 52.113 3.622 2.065 128 HA LYS 16 HA LYS 16 51.245 4.906 4.422 129 HB2 LYS 16 HB2 LYS 16 50.623 5.443 1.519 130 HB3 LYS 16 HB1 LYS 16 50.059 6.468 2.829 131 HG2 LYS 16 HG2 LYS 16 52.944 5.896 2.190 132 HG3 LYS 16 HG1 LYS 16 52.057 7.349 1.734 133 HD2 LYS 16 HD2 LYS 16 51.662 7.839 4.109 134 HD3 LYS 16 HD1 LYS 16 52.585 6.402 4.545 135 HE2 LYS 16 HE2 LYS 16 54.546 7.360 3.392 136 HE3 LYS 16 HE1 LYS 16 53.611 8.819 3.070 137 HZ1 LYS 16 HZ1 LYS 16 55.005 9.090 5.010 138 HZ2 LYS 16 HZ2 LYS 16 54.291 7.752 5.755 139 HZ3 LYS 16 HZ3 LYS 16 53.377 9.138 5.454 140 H ILE 17 HN ILE 17 49.425 3.292 1.823 141 HA ILE 17 HA ILE 17 46.888 3.715 2.904 142 HB ILE 17 HB ILE 17 47.315 2.891 0.579 143 HG12 ILE 17 HG12 ILE 17 45.385 1.284 0.506 144 HG13 ILE 17 HG11 ILE 17 45.396 1.280 2.266 145 HG21 ILE 17 HG21 ILE 17 48.981 1.198 1.059 146 HG22 ILE 17 HG22 ILE 17 47.624 0.506 0.170 147 HG23 ILE 17 HG23 ILE 17 47.776 0.231 1.905 148 HD11 ILE 17 HD11 ILE 17 44.894 3.648 2.298 149 HD12 ILE 17 HD12 ILE 17 43.698 2.776 1.341 150 HD13 ILE 17 HD13 ILE 17 44.963 3.704 0.537 151 H VAL 18 HN VAL 18 49.325 1.351 3.685 152 HA VAL 18 HA VAL 18 47.631 -0.290 5.305 153 HB VAL 18 HB VAL 18 50.632 -0.104 5.000 154 HG11 VAL 18 HG11 VAL 18 49.096 -2.015 6.761 155 HG12 VAL 18 HG12 VAL 18 50.164 -0.726 7.318 156 HG13 VAL 18 HG13 VAL 18 50.823 -2.091 6.415 157 HG21 VAL 18 HG21 VAL 18 50.357 -2.347 4.024 158 HG22 VAL 18 HG22 VAL 18 49.437 -1.121 3.149 159 HG23 VAL 18 HG23 VAL 18 48.613 -2.219 4.256 160 H ASP 19 HN ASP 19 50.160 2.115 6.022 161 HA ASP 19 HA ASP 19 49.903 2.002 8.826 162 HB2 ASP 19 HB2 ASP 19 51.877 2.933 7.704 163 HB3 ASP 19 HB1 ASP 19 50.912 4.278 7.109 164 H LEU 20 HN LEU 20 48.300 3.989 6.411 165 HA LEU 20 HA LEU 20 46.984 5.615 8.368 166 HB2 LEU 20 HB2 LEU 20 46.496 5.316 5.411 167 HB3 LEU 20 HB1 LEU 20 45.726 6.513 6.434 168 HG LEU 20 HG LEU 20 48.692 6.324 5.884 169 HD11 LEU 20 HD11 LEU 20 48.379 8.398 4.645 170 HD12 LEU 20 HD12 LEU 20 46.638 8.291 4.911 171 HD13 LEU 20 HD13 LEU 20 47.460 7.069 3.941 172 HD21 LEU 20 HD21 LEU 20 48.810 8.494 7.031 173 HD22 LEU 20 HD22 LEU 20 48.268 7.204 8.101 174 HD23 LEU 20 HD23 LEU 20 47.103 8.357 7.449 175 H HIS 21 HN HIS 21 46.423 2.512 7.126 176 HA HIS 21 HA HIS 21 43.574 2.544 7.674 177 HB2 HIS 21 HB2 HIS 21 45.463 0.618 6.506 178 HB3 HIS 21 HB1 HIS 21 44.251 -0.115 7.546 179 HD1 HIS 21 HD1 HIS 21 44.553 1.895 4.386 180 HD2 HIS 21 HD2 HIS 21 41.699 -0.233 6.517 181 HE1 HIS 21 HE1 HIS 21 42.538 1.784 2.882 182 H LYS 22 HN LYS 22 46.456 2.169 9.354 183 HA LYS 22 HA LYS 22 45.459 0.544 11.476 184 HB2 LYS 22 HB2 LYS 22 47.955 1.435 10.667 185 HB3 LYS 22 HB1 LYS 22 47.661 2.340 12.144 186 HG2 LYS 22 HG2 LYS 22 48.859 0.332 12.667 187 HG3 LYS 22 HG1 LYS 22 47.222 0.215 13.314 188 HD2 LYS 22 HD2 LYS 22 46.548 -1.213 11.495 189 HD3 LYS 22 HD1 LYS 22 48.096 -0.979 10.683 190 HE2 LYS 22 HE2 LYS 22 49.244 -2.085 12.536 191 HE3 LYS 22 HE1 LYS 22 47.707 -2.291 13.373 192 HZ1 LYS 22 HZ1 LYS 22 46.960 -3.754 11.657 193 HZ2 LYS 22 HZ2 LYS 22 48.471 -4.291 12.181 194 HZ3 LYS 22 HZ3 LYS 22 48.334 -3.464 10.716 195 H SER 23 HN SER 23 45.928 3.988 10.881 196 HA SER 23 HA SER 23 44.769 4.761 13.381 197 HB2 SER 23 HB2 SER 23 44.786 7.062 12.255 198 HB3 SER 23 HB1 SER 23 46.355 6.281 12.468 199 HG SER 23 HG SER 23 46.329 6.962 10.388 200 H GLY 24 HN GLY 24 43.733 4.606 10.001 201 HA2 GLY 24 HA2 GLY 24 41.622 4.132 9.180 202 HA3 GLY 24 HA1 GLY 24 41.005 4.138 10.822 203 H SER 25 HN SER 25 42.094 6.858 11.316 204 HA SER 25 HA SER 25 39.772 8.270 10.502 205 HB2 SER 25 HB2 SER 25 41.101 10.223 11.575 206 HB3 SER 25 HB1 SER 25 40.565 8.886 12.595 207 HG SER 25 HG SER 25 42.678 9.197 13.079 208 H SER 26 HN SER 26 42.693 7.693 8.930 209 HA SER 26 HA SER 26 42.524 10.158 7.349 210 HB2 SER 26 HB2 SER 26 44.679 8.047 7.277 211 HB3 SER 26 HB1 SER 26 44.760 9.682 6.621 212 HG SER 26 HG SER 26 44.163 10.066 9.080 213 H LEU 27 HN LEU 27 41.160 7.218 7.260 214 HA LEU 27 HA LEU 27 41.768 6.147 4.740 215 HB2 LEU 27 HB2 LEU 27 40.579 4.981 6.613 216 HB3 LEU 27 HB1 LEU 27 39.148 5.908 6.223 217 HG LEU 27 HG LEU 27 40.421 4.119 4.161 218 HD11 LEU 27 HD11 LEU 27 38.882 2.345 4.876 219 HD12 LEU 27 HD12 LEU 27 38.428 3.320 6.275 220 HD13 LEU 27 HD13 LEU 27 40.080 2.727 6.112 221 HD21 LEU 27 HD21 LEU 27 38.698 5.693 3.405 222 HD22 LEU 27 HD22 LEU 27 37.580 5.054 4.611 223 HD23 LEU 27 HD23 LEU 27 38.134 4.025 3.288 224 H GLY 28 HN GLY 28 38.958 8.150 5.675 225 HA2 GLY 28 HA2 GLY 28 37.903 8.340 3.060 226 HA3 GLY 28 HA1 GLY 28 37.496 9.383 4.413 227 H ALA 29 HN ALA 29 40.389 10.120 4.666 228 HA ALA 29 HA ALA 29 40.284 12.438 3.027 229 HB1 ALA 29 HB1 ALA 29 42.434 13.007 4.008 230 HB2 ALA 29 HB2 ALA 29 42.597 11.370 4.644 231 HB3 ALA 29 HB3 ALA 29 41.326 12.430 5.253 232 H ILE 30 HN ILE 30 42.533 9.672 3.073 233 HA ILE 30 HA ILE 30 43.907 10.504 0.739 234 HB ILE 30 HB ILE 30 44.877 8.201 0.721 235 HG12 ILE 30 HG12 ILE 30 43.153 7.850 3.188 236 HG13 ILE 30 HG11 ILE 30 42.956 6.993 1.666 237 HG21 ILE 30 HG21 ILE 30 45.939 10.021 1.916 238 HG22 ILE 30 HG22 ILE 30 46.142 8.507 2.795 239 HG23 ILE 30 HG23 ILE 30 44.952 9.690 3.338 240 HD11 ILE 30 HD11 ILE 30 44.035 5.606 3.336 241 HD12 ILE 30 HD12 ILE 30 45.323 6.798 3.512 242 HD13 ILE 30 HD13 ILE 30 45.126 5.930 1.989 243 H SER 31 HN SER 31 41.223 8.270 1.240 244 HA SER 31 HA SER 31 41.228 7.211 -1.376 245 HB2 SER 31 HB2 SER 31 38.832 6.590 -0.839 246 HB3 SER 31 HB1 SER 31 40.035 6.014 0.315 247 HG SER 31 HG SER 31 39.311 7.369 1.793 248 H LYS 32 HN LYS 32 39.989 10.133 -0.010 249 HA LYS 32 HA LYS 32 38.351 10.783 -2.291 250 HB2 LYS 32 HB2 LYS 32 37.743 11.476 -0.010 251 HB3 LYS 32 HB1 LYS 32 39.190 12.462 0.070 252 HG2 LYS 32 HG2 LYS 32 38.346 13.836 -1.771 253 HG3 LYS 32 HG1 LYS 32 36.883 12.855 -1.821 254 HD2 LYS 32 HD2 LYS 32 37.774 14.286 0.674 255 HD3 LYS 32 HD1 LYS 32 36.769 15.067 -0.544 256 HE2 LYS 32 HE2 LYS 32 35.303 14.230 1.139 257 HE3 LYS 32 HE1 LYS 32 35.127 13.189 -0.266 258 HZ1 LYS 32 HZ1 LYS 32 36.340 11.479 0.794 259 HZ2 LYS 32 HZ2 LYS 32 35.270 12.055 1.961 260 HZ3 LYS 32 HZ3 LYS 32 36.892 12.503 2.018 261 H ARG 33 HN ARG 33 41.372 11.979 -0.841 262 HA ARG 33 HA ARG 33 41.845 13.983 -2.746 263 HB2 ARG 33 HB2 ARG 33 42.989 14.065 -0.639 264 HB3 ARG 33 HB1 ARG 33 43.764 12.517 -0.937 265 HG2 ARG 33 HG2 ARG 33 45.112 13.452 -2.680 266 HG3 ARG 33 HG1 ARG 33 44.231 14.976 -2.607 267 HD2 ARG 33 HD2 ARG 33 46.418 15.098 -1.488 268 HD3 ARG 33 HD1 ARG 33 45.082 15.403 -0.386 269 HE ARG 33 HE ARG 33 45.490 13.354 0.667 270 HH11 ARG 33 HH11 ARG 33 47.730 13.893 -1.969 271 HH12 ARG 33 HH12 ARG 33 48.911 12.784 -1.376 272 HH21 ARG 33 HH21 ARG 33 47.069 11.890 1.485 273 HH22 ARG 33 HH22 ARG 33 48.539 11.641 0.607 274 H LEU 34 HN LEU 34 43.119 10.653 -2.611 275 HA LEU 34 HA LEU 34 44.416 11.069 -5.187 276 HB2 LEU 34 HB2 LEU 34 44.361 8.666 -3.357 277 HB3 LEU 34 HB1 LEU 34 45.191 8.696 -4.893 278 HG LEU 34 HG LEU 34 46.859 9.006 -3.282 279 HD11 LEU 34 HD11 LEU 34 47.729 11.236 -3.665 280 HD12 LEU 34 HD12 LEU 34 46.155 11.760 -4.261 281 HD13 LEU 34 HD13 LEU 34 47.072 10.540 -5.146 282 HD21 LEU 34 HD21 LEU 34 45.453 9.478 -1.361 283 HD22 LEU 34 HD22 LEU 34 45.127 11.097 -1.977 284 HD23 LEU 34 HD23 LEU 34 46.760 10.658 -1.478 285 H LYS 35 HN LYS 35 41.383 10.216 -4.169 286 HA LYS 35 HA LYS 35 39.597 9.136 -5.038 287 HB2 LYS 35 HB2 LYS 35 41.056 9.712 -7.631 288 HB3 LYS 35 HB1 LYS 35 39.440 9.030 -7.563 289 HG2 LYS 35 HG2 LYS 35 39.044 11.280 -7.921 290 HG3 LYS 35 HG1 LYS 35 38.857 11.128 -6.175 291 HD2 LYS 35 HD2 LYS 35 41.163 11.919 -5.874 292 HD3 LYS 35 HD1 LYS 35 41.321 12.092 -7.624 293 HE2 LYS 35 HE2 LYS 35 39.447 13.700 -7.594 294 HE3 LYS 35 HE1 LYS 35 39.397 13.571 -5.836 295 HZ1 LYS 35 HZ1 LYS 35 40.647 15.503 -6.530 296 HZ2 LYS 35 HZ2 LYS 35 41.688 14.547 -7.448 297 HZ3 LYS 35 HZ3 LYS 35 41.676 14.401 -5.765 298 H VAL 36 HN VAL 36 40.803 7.371 -3.854 299 HA VAL 36 HA VAL 36 41.966 5.296 -5.474 300 HB VAL 36 HB VAL 36 41.181 5.214 -2.550 301 HG11 VAL 36 HG11 VAL 36 43.087 3.478 -4.115 302 HG12 VAL 36 HG12 VAL 36 41.489 3.004 -3.545 303 HG13 VAL 36 HG13 VAL 36 42.765 3.367 -2.384 304 HG21 VAL 36 HG21 VAL 36 42.765 7.019 -2.969 305 HG22 VAL 36 HG22 VAL 36 43.840 5.897 -3.803 306 HG23 VAL 36 HG23 VAL 36 43.536 5.707 -2.076 307 HA PRO 37 HA PRO 37 38.079 3.356 -6.520 308 HB2 PRO 37 HB2 PRO 37 39.803 0.949 -6.780 309 HB3 PRO 37 HB1 PRO 37 38.695 1.663 -7.953 310 HG2 PRO 37 HG2 PRO 37 41.332 1.919 -8.235 311 HG3 PRO 37 HG1 PRO 37 40.233 3.246 -8.649 312 HD2 PRO 37 HD2 PRO 37 41.978 2.902 -6.249 313 HD3 PRO 37 HD1 PRO 37 41.584 4.374 -7.165 314 H ARG 38 HN ARG 38 36.695 2.790 -5.019 315 HA ARG 38 HA ARG 38 37.288 1.930 -2.457 316 HB2 ARG 38 HB2 ARG 38 34.839 1.394 -2.300 317 HB3 ARG 38 HB1 ARG 38 35.226 3.013 -2.854 318 HG2 ARG 38 HG2 ARG 38 34.910 2.124 -5.212 319 HG3 ARG 38 HG1 ARG 38 34.198 0.694 -4.458 320 HD2 ARG 38 HD2 ARG 38 32.483 2.313 -5.112 321 HD3 ARG 38 HD1 ARG 38 32.529 2.096 -3.362 322 HE ARG 38 HE ARG 38 34.086 4.217 -3.598 323 HH11 ARG 38 HH11 ARG 38 31.050 3.560 -5.226 324 HH12 ARG 38 HH12 ARG 38 30.603 5.223 -5.341 325 HH21 ARG 38 HH21 ARG 38 33.502 6.406 -3.737 326 HH22 ARG 38 HH22 ARG 38 32.016 6.862 -4.497 327 H SER 39 HN SER 39 36.632 -0.034 -5.293 328 HA SER 39 HA SER 39 36.418 -2.449 -3.772 329 HB2 SER 39 HB2 SER 39 36.790 -2.017 -6.742 330 HB3 SER 39 HB1 SER 39 36.429 -3.565 -5.978 331 HG SER 39 HG SER 39 34.551 -2.491 -6.773 332 H SER 40 HN SER 40 38.960 -0.839 -5.628 333 HA SER 40 HA SER 40 40.794 -3.007 -5.465 334 HB2 SER 40 HB2 SER 40 41.357 -0.095 -6.029 335 HB3 SER 40 HB1 SER 40 42.421 -1.456 -6.379 336 HG SER 40 HG SER 40 40.389 -2.224 -7.586 337 H VAL 41 HN VAL 41 40.167 -0.189 -3.449 338 HA VAL 41 HA VAL 41 42.518 -0.477 -1.876 339 HB VAL 41 HB VAL 41 41.172 1.634 -1.957 340 HG11 VAL 41 HG11 VAL 41 39.247 0.139 -0.191 341 HG12 VAL 41 HG12 VAL 41 38.942 0.685 -1.839 342 HG13 VAL 41 HG13 VAL 41 39.192 1.866 -0.553 343 HG21 VAL 41 HG21 VAL 41 41.612 0.481 0.795 344 HG22 VAL 41 HG22 VAL 41 41.418 2.194 0.422 345 HG23 VAL 41 HG23 VAL 41 42.812 1.308 -0.199 346 H GLN 42 HN GLN 42 39.390 -1.968 -1.859 347 HA GLN 42 HA GLN 42 39.637 -3.134 0.745 348 HB2 GLN 42 HB2 GLN 42 37.466 -2.687 -0.472 349 HB3 GLN 42 HB1 GLN 42 37.864 -4.033 -1.528 350 HG2 GLN 42 HG2 GLN 42 37.843 -5.553 0.366 351 HG3 GLN 42 HG1 GLN 42 37.498 -4.211 1.455 352 HE21 GLN 42 HE21 GLN 42 36.129 -4.569 -1.742 353 HE22 GLN 42 HE22 GLN 42 34.507 -4.840 -1.222 354 H THR 43 HN THR 43 40.594 -3.923 -2.486 355 HA THR 43 HA THR 43 41.047 -6.687 -2.150 356 HB THR 43 HB THR 43 42.420 -4.774 -4.056 357 HG1 THR 43 HG1 THR 43 39.860 -5.771 -3.927 358 HG21 THR 43 HG21 THR 43 43.523 -6.962 -3.904 359 HG22 THR 43 HG22 THR 43 42.717 -6.773 -5.460 360 HG23 THR 43 HG23 THR 43 41.982 -7.764 -4.201 361 H ILE 44 HN ILE 44 43.179 -3.847 -1.872 362 HA ILE 44 HA ILE 44 45.487 -5.375 -1.292 363 HB ILE 44 HB ILE 44 45.569 -3.070 -2.235 364 HG12 ILE 44 HG12 ILE 44 47.529 -4.170 -0.964 365 HG13 ILE 44 HG11 ILE 44 47.618 -2.443 -1.264 366 HG21 ILE 44 HG21 ILE 44 45.364 -1.118 -0.782 367 HG22 ILE 44 HG22 ILE 44 44.820 -2.164 0.529 368 HG23 ILE 44 HG23 ILE 44 43.846 -2.008 -0.933 369 HD11 ILE 44 HD11 ILE 44 46.837 -3.754 1.336 370 HD12 ILE 44 HD12 ILE 44 46.927 -2.016 1.047 371 HD13 ILE 44 HD13 ILE 44 48.389 -3.000 0.972 372 H VAL 45 HN VAL 45 43.060 -3.823 0.780 373 HA VAL 45 HA VAL 45 44.512 -4.348 3.173 374 HB VAL 45 HB VAL 45 42.504 -3.729 4.401 375 HG11 VAL 45 HG11 VAL 45 42.222 -1.459 3.535 376 HG12 VAL 45 HG12 VAL 45 43.014 -1.943 2.036 377 HG13 VAL 45 HG13 VAL 45 43.914 -1.958 3.551 378 HG21 VAL 45 HG21 VAL 45 40.450 -3.062 3.172 379 HG22 VAL 45 HG22 VAL 45 40.793 -4.790 3.097 380 HG23 VAL 45 HG23 VAL 45 41.156 -3.760 1.713 381 H ARG 46 HN ARG 46 42.365 -6.229 1.216 382 HA ARG 46 HA ARG 46 41.649 -8.099 3.224 383 HB2 ARG 46 HB2 ARG 46 40.358 -7.863 1.138 384 HB3 ARG 46 HB1 ARG 46 41.726 -8.490 0.227 385 HG2 ARG 46 HG2 ARG 46 41.545 -10.621 1.307 386 HG3 ARG 46 HG1 ARG 46 40.299 -10.006 2.390 387 HD2 ARG 46 HD2 ARG 46 38.829 -9.640 0.464 388 HD3 ARG 46 HD1 ARG 46 40.075 -10.288 -0.600 389 HE ARG 46 HE ARG 46 39.849 -12.389 0.754 390 HH11 ARG 46 HH11 ARG 46 37.155 -10.154 0.446 391 HH12 ARG 46 HH12 ARG 46 35.957 -11.383 0.659 392 HH21 ARG 46 HH21 ARG 46 38.251 -14.005 1.036 393 HH22 ARG 46 HH22 ARG 46 36.576 -13.569 0.989 394 H LYS 47 HN LYS 47 44.149 -8.126 0.681 395 HA LYS 47 HA LYS 47 45.235 -10.603 1.562 396 HB2 LYS 47 HB2 LYS 47 47.156 -10.107 0.121 397 HB3 LYS 47 HB1 LYS 47 45.641 -9.830 -0.719 398 HG2 LYS 47 HG2 LYS 47 45.884 -7.447 -0.454 399 HG3 LYS 47 HG1 LYS 47 47.346 -7.677 0.510 400 HD2 LYS 47 HD2 LYS 47 48.442 -8.728 -1.404 401 HD3 LYS 47 HD1 LYS 47 46.979 -8.512 -2.364 402 HE2 LYS 47 HE2 LYS 47 47.182 -6.102 -2.168 403 HE3 LYS 47 HE1 LYS 47 48.600 -6.287 -1.137 404 HZ1 LYS 47 HZ1 LYS 47 48.404 -7.194 -3.951 405 HZ2 LYS 47 HZ2 LYS 47 49.772 -7.301 -2.965 406 HZ3 LYS 47 HZ3 LYS 47 49.186 -5.789 -3.437 407 H TYR 48 HN TYR 48 45.713 -7.282 2.438 408 HA TYR 48 HA TYR 48 48.071 -7.534 3.947 409 HB2 TYR 48 HB2 TYR 48 47.294 -5.340 3.404 410 HB3 TYR 48 HB1 TYR 48 45.718 -5.649 4.119 411 HD1 TYR 48 HD1 TYR 48 49.294 -5.767 5.243 412 HD2 TYR 48 HD2 TYR 48 45.313 -4.517 6.068 413 HE1 TYR 48 HE1 TYR 48 50.054 -4.744 7.345 414 HE2 TYR 48 HE2 TYR 48 46.057 -3.492 8.169 415 HH TYR 48 HH TYR 48 49.377 -3.049 8.904 416 H LYS 49 HN LYS 49 44.671 -8.015 4.744 417 HA LYS 49 HA LYS 49 45.031 -8.537 7.496 418 HB2 LYS 49 HB2 LYS 49 42.847 -7.982 6.549 419 HB3 LYS 49 HB1 LYS 49 42.856 -9.467 5.611 420 HG2 LYS 49 HG2 LYS 49 42.872 -10.759 7.716 421 HG3 LYS 49 HG1 LYS 49 42.764 -9.246 8.613 422 HD2 LYS 49 HD2 LYS 49 40.742 -10.226 6.598 423 HD3 LYS 49 HD1 LYS 49 40.578 -10.351 8.349 424 HE2 LYS 49 HE2 LYS 49 40.663 -7.905 8.523 425 HE3 LYS 49 HE1 LYS 49 40.821 -7.791 6.772 426 HZ1 LYS 49 HZ1 LYS 49 38.494 -8.882 8.256 427 HZ2 LYS 49 HZ2 LYS 49 38.654 -8.884 6.578 428 HZ3 LYS 49 HZ3 LYS 49 38.547 -7.421 7.404 429 H HIS 50 HN HIS 50 44.840 -10.646 4.650 430 HA HIS 50 HA HIS 50 45.120 -13.084 6.042 431 HB2 HIS 50 HB2 HIS 50 44.308 -12.914 3.695 432 HB3 HIS 50 HB1 HIS 50 45.936 -12.482 3.187 433 HD1 HIS 50 HD1 HIS 50 47.169 -14.408 2.240 434 HD2 HIS 50 HD2 HIS 50 44.425 -15.620 5.116 435 HE1 HIS 50 HE1 HIS 50 47.350 -16.908 2.335 436 H HIS 51 HN HIS 51 47.471 -10.796 4.785 437 HA HIS 51 HA HIS 51 49.750 -12.435 5.249 438 HB2 HIS 51 HB2 HIS 51 49.447 -9.446 4.939 439 HB3 HIS 51 HB1 HIS 51 51.007 -10.214 5.201 440 HD1 HIS 51 HD1 HIS 51 51.027 -8.789 2.687 441 HD2 HIS 51 HD2 HIS 51 49.356 -12.588 2.927 442 HE1 HIS 51 HE1 HIS 51 50.974 -9.650 0.327 443 H GLY 52 HN GLY 52 47.747 -10.492 7.255 444 HA2 GLY 52 HA2 GLY 52 49.618 -10.413 9.458 445 HA3 GLY 52 HA1 GLY 52 47.948 -9.859 9.480 446 H THR 53 HN THR 53 47.438 -12.610 8.153 447 HA THR 53 HA THR 53 46.676 -13.966 10.539 448 HB THR 53 HB THR 53 46.678 -15.044 7.708 449 HG1 THR 53 HG1 THR 53 45.019 -13.217 9.035 450 HG21 THR 53 HG21 THR 53 44.837 -16.456 8.562 451 HG22 THR 53 HG22 THR 53 45.084 -15.778 10.172 452 HG23 THR 53 HG23 THR 53 46.349 -16.751 9.420 453 H THR 54 HN THR 54 48.832 -15.006 7.811 454 HA THR 54 HA THR 54 50.660 -15.911 9.911 455 HB THR 54 HB THR 54 49.913 -17.662 7.560 456 HG1 THR 54 HG1 THR 54 48.736 -17.290 9.978 457 HG21 THR 54 HG21 THR 54 52.197 -18.007 8.329 458 HG22 THR 54 HG22 THR 54 51.189 -19.379 8.790 459 HG23 THR 54 HG23 THR 54 51.633 -18.168 9.993 460 H GLN 55 HN GLN 55 50.402 -15.947 6.344 461 HA GLN 55 HA GLN 55 51.742 -15.222 4.684 462 HB2 GLN 55 HB2 GLN 55 51.624 -13.036 5.865 463 HB3 GLN 55 HB1 GLN 55 53.073 -13.465 6.759 464 HG2 GLN 55 HG2 GLN 55 54.295 -13.623 4.604 465 HG3 GLN 55 HG1 GLN 55 52.846 -13.050 3.785 466 HE21 GLN 55 HE21 GLN 55 55.465 -12.212 5.884 467 HE22 GLN 55 HE22 GLN 55 55.267 -10.498 5.788 468 H HIS 56 HN HIS 56 52.536 -17.394 4.704 469 HA HIS 56 HA HIS 56 54.143 -18.972 4.536 470 HB2 HIS 56 HB2 HIS 56 54.989 -17.259 2.948 471 HB3 HIS 56 HB1 HIS 56 55.989 -16.595 4.230 472 HD1 HIS 56 HD1 HIS 56 58.294 -17.506 4.360 473 HD2 HIS 56 HD2 HIS 56 55.726 -20.069 2.340 474 HE1 HIS 56 HE1 HIS 56 59.745 -19.354 3.483 475 H HIS 57 HN HIS 57 53.750 -19.470 6.841 476 HA HIS 57 HA HIS 57 56.296 -19.584 8.215 477 HB2 HIS 57 HB2 HIS 57 53.887 -18.217 9.404 478 HB3 HIS 57 HB1 HIS 57 55.047 -19.037 10.439 479 HD1 HIS 57 HD1 HIS 57 57.549 -18.068 10.331 480 HD2 HIS 57 HD2 HIS 57 54.601 -15.685 8.636 481 HE1 HIS 57 HE1 HIS 57 58.574 -15.790 10.120 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 73.257 -11.441 -15.693 2 H2 ALA 1 HT2 ALA 1 72.688 -9.875 -15.959 3 H3 ALA 1 HT3 ALA 1 72.081 -11.162 -16.870 4 HA ALA 1 HA ALA 1 70.529 -10.465 -15.167 5 HB1 ALA 1 HB1 ALA 1 71.727 -13.188 -14.671 6 HB2 ALA 1 HB2 ALA 1 70.542 -12.797 -15.918 7 HB3 ALA 1 HB3 ALA 1 70.106 -12.667 -14.213 8 H SER 2 HN SER 2 70.920 -8.962 -13.645 9 HA SER 2 HA SER 2 72.290 -9.895 -11.236 10 HB2 SER 2 HB2 SER 2 73.769 -8.404 -12.684 11 HB3 SER 2 HB1 SER 2 72.642 -7.100 -12.320 12 HG SER 2 HG SER 2 74.471 -8.408 -10.672 13 H MET 3 HN MET 3 70.909 -9.785 -9.621 14 HA MET 3 HA MET 3 68.939 -7.605 -9.572 15 HB2 MET 3 HB2 MET 3 67.345 -9.183 -8.505 16 HB3 MET 3 HB1 MET 3 67.748 -9.619 -10.160 17 HG2 MET 3 HG2 MET 3 69.269 -11.329 -9.364 18 HG3 MET 3 HG1 MET 3 68.953 -10.860 -7.696 19 HE1 MET 3 HE1 MET 3 67.259 -14.399 -8.121 20 HE2 MET 3 HE2 MET 3 68.499 -13.477 -7.271 21 HE3 MET 3 HE3 MET 3 68.693 -13.844 -8.984 22 H GLY 4 HN GLY 4 68.492 -6.714 -7.596 23 HA2 GLY 4 HA2 GLY 4 69.475 -7.798 -5.143 24 HA3 GLY 4 HA1 GLY 4 70.454 -6.454 -5.716 25 H LYS 5 HN LYS 5 68.281 -7.035 -3.535 26 HA LYS 5 HA LYS 5 66.756 -5.861 -2.369 27 HB2 LYS 5 HB2 LYS 5 68.364 -4.038 -2.417 28 HB3 LYS 5 HB1 LYS 5 67.792 -3.536 -4.000 29 HG2 LYS 5 HG2 LYS 5 65.669 -2.878 -3.083 30 HG3 LYS 5 HG1 LYS 5 66.121 -3.518 -1.502 31 HD2 LYS 5 HD2 LYS 5 67.873 -1.871 -1.288 32 HD3 LYS 5 HD1 LYS 5 67.564 -1.289 -2.924 33 HE2 LYS 5 HE2 LYS 5 66.571 0.185 -1.247 34 HE3 LYS 5 HE1 LYS 5 65.345 -0.560 -2.270 35 HZ1 LYS 5 HZ1 LYS 5 64.709 -0.564 0.065 36 HZ2 LYS 5 HZ2 LYS 5 66.079 -1.455 0.464 37 HZ3 LYS 5 HZ3 LYS 5 64.881 -2.145 -0.504 38 H SER 6 HN SER 6 64.864 -6.702 -2.892 39 HA SER 6 HA SER 6 63.618 -6.139 -5.430 40 HB2 SER 6 HB2 SER 6 63.488 -8.404 -4.535 41 HB3 SER 6 HB1 SER 6 62.696 -7.808 -3.078 42 HG SER 6 HG SER 6 61.667 -8.279 -5.596 43 H LYS 7 HN LYS 7 62.730 -4.191 -5.622 44 HA LYS 7 HA LYS 7 61.290 -2.995 -3.406 45 HB2 LYS 7 HB2 LYS 7 62.751 -1.599 -4.861 46 HB3 LYS 7 HB1 LYS 7 61.716 -1.969 -6.229 47 HG2 LYS 7 HG2 LYS 7 59.852 -0.823 -5.132 48 HG3 LYS 7 HG1 LYS 7 60.891 -0.459 -3.751 49 HD2 LYS 7 HD2 LYS 7 62.377 0.830 -5.208 50 HD3 LYS 7 HD1 LYS 7 61.347 0.464 -6.591 51 HE2 LYS 7 HE2 LYS 7 59.483 1.629 -5.484 52 HE3 LYS 7 HE1 LYS 7 60.549 2.018 -4.134 53 HZ1 LYS 7 HZ1 LYS 7 61.949 3.269 -5.659 54 HZ2 LYS 7 HZ2 LYS 7 60.374 3.873 -5.661 55 HZ3 LYS 7 HZ3 LYS 7 60.911 2.914 -6.941 56 H GLU 8 HN GLU 8 60.313 -2.933 -6.800 57 HA GLU 8 HA GLU 8 58.455 -3.525 -7.919 58 HB2 GLU 8 HB2 GLU 8 58.255 -5.626 -5.766 59 HB3 GLU 8 HB1 GLU 8 57.275 -5.599 -7.227 60 HG2 GLU 8 HG2 GLU 8 59.257 -5.821 -8.597 61 HG3 GLU 8 HG1 GLU 8 60.278 -5.764 -7.164 62 H ILE 9 HN ILE 9 56.847 -2.168 -8.039 63 HA ILE 9 HA ILE 9 54.894 -1.083 -7.609 64 HB ILE 9 HB ILE 9 54.720 -2.795 -5.099 65 HG12 ILE 9 HG12 ILE 9 54.692 -4.152 -7.147 66 HG13 ILE 9 HG11 ILE 9 53.124 -4.177 -6.349 67 HG21 ILE 9 HG21 ILE 9 52.591 -1.124 -6.431 68 HG22 ILE 9 HG22 ILE 9 53.365 -0.789 -4.883 69 HG23 ILE 9 HG23 ILE 9 52.338 -2.210 -5.064 70 HD11 ILE 9 HD11 ILE 9 52.298 -2.533 -7.969 71 HD12 ILE 9 HD12 ILE 9 52.871 -4.008 -8.748 72 HD13 ILE 9 HD13 ILE 9 53.868 -2.554 -8.772 73 H SER 10 HN SER 10 54.298 0.818 -6.532 74 HA SER 10 HA SER 10 56.312 2.298 -5.334 75 HB2 SER 10 HB2 SER 10 53.324 2.709 -5.065 76 HB3 SER 10 HB1 SER 10 54.571 3.929 -4.799 77 HG SER 10 HG SER 10 54.591 4.277 -6.848 78 H GLN 11 HN GLN 11 57.302 1.568 -3.556 79 HA GLN 11 HA GLN 11 56.064 0.140 -1.470 80 HB2 GLN 11 HB2 GLN 11 58.171 0.564 -0.216 81 HB3 GLN 11 HB1 GLN 11 58.421 -0.114 -1.819 82 HG2 GLN 11 HG2 GLN 11 59.136 1.967 -2.684 83 HG3 GLN 11 HG1 GLN 11 58.612 2.823 -1.235 84 HE21 GLN 11 HE21 GLN 11 60.653 3.690 -0.951 85 HE22 GLN 11 HE22 GLN 11 61.976 2.746 -0.356 86 H ASP 12 HN ASP 12 56.670 3.554 -1.982 87 HA ASP 12 HA ASP 12 56.152 4.404 0.652 88 HB2 ASP 12 HB2 ASP 12 57.163 5.832 -1.149 89 HB3 ASP 12 HB1 ASP 12 55.559 5.965 -1.867 90 H LEU 13 HN LEU 13 54.032 4.384 -2.195 91 HA LEU 13 HA LEU 13 51.678 5.064 -0.875 92 HB2 LEU 13 HB2 LEU 13 51.922 5.089 -3.308 93 HB3 LEU 13 HB1 LEU 13 52.047 3.342 -3.327 94 HG LEU 13 HG LEU 13 49.724 3.177 -2.520 95 HD11 LEU 13 HD11 LEU 13 49.728 6.179 -2.808 96 HD12 LEU 13 HD12 LEU 13 49.573 5.270 -1.303 97 HD13 LEU 13 HD13 LEU 13 48.305 5.177 -2.526 98 HD21 LEU 13 HD21 LEU 13 48.649 3.905 -4.595 99 HD22 LEU 13 HD22 LEU 13 50.189 3.108 -4.913 100 HD23 LEU 13 HD23 LEU 13 50.072 4.866 -4.996 101 H ARG 14 HN ARG 14 53.086 1.887 -1.540 102 HA ARG 14 HA ARG 14 50.972 0.345 -0.526 103 HB2 ARG 14 HB2 ARG 14 52.542 -0.732 -1.934 104 HB3 ARG 14 HB1 ARG 14 53.898 -0.238 -0.935 105 HG2 ARG 14 HG2 ARG 14 53.418 -1.835 0.707 106 HG3 ARG 14 HG1 ARG 14 51.783 -2.095 0.099 107 HD2 ARG 14 HD2 ARG 14 53.438 -3.923 -0.425 108 HD3 ARG 14 HD1 ARG 14 52.576 -3.258 -1.807 109 HE ARG 14 HE ARG 14 54.605 -1.998 -2.336 110 HH11 ARG 14 HH11 ARG 14 54.961 -4.681 -0.102 111 HH12 ARG 14 HH12 ARG 14 56.608 -4.986 -0.530 112 HH21 ARG 14 HH21 ARG 14 56.801 -2.436 -2.934 113 HH22 ARG 14 HH22 ARG 14 57.653 -3.706 -2.143 114 H LYS 15 HN LYS 15 53.873 1.607 1.096 115 HA LYS 15 HA LYS 15 53.218 0.310 3.569 116 HB2 LYS 15 HB2 LYS 15 55.549 0.891 2.905 117 HB3 LYS 15 HB1 LYS 15 55.143 2.590 3.085 118 HG2 LYS 15 HG2 LYS 15 54.688 2.234 5.460 119 HG3 LYS 15 HG1 LYS 15 55.089 0.526 5.279 120 HD2 LYS 15 HD2 LYS 15 57.362 1.177 4.548 121 HD3 LYS 15 HD1 LYS 15 56.945 2.868 4.846 122 HE2 LYS 15 HE2 LYS 15 56.521 2.336 7.203 123 HE3 LYS 15 HE1 LYS 15 56.954 0.656 6.899 124 HZ1 LYS 15 HZ1 LYS 15 58.809 1.807 7.846 125 HZ2 LYS 15 HZ2 LYS 15 58.740 3.015 6.670 126 HZ3 LYS 15 HZ3 LYS 15 59.177 1.440 6.238 127 H LYS 16 HN LYS 16 52.774 3.519 2.204 128 HA LYS 16 HA LYS 16 51.867 4.724 4.602 129 HB2 LYS 16 HB2 LYS 16 51.990 5.521 1.753 130 HB3 LYS 16 HB1 LYS 16 50.831 6.371 2.764 131 HG2 LYS 16 HG2 LYS 16 52.984 7.540 2.605 132 HG3 LYS 16 HG1 LYS 16 52.598 7.081 4.260 133 HD2 LYS 16 HD2 LYS 16 54.094 5.124 4.026 134 HD3 LYS 16 HD1 LYS 16 54.510 5.668 2.400 135 HE2 LYS 16 HE2 LYS 16 54.982 7.209 4.953 136 HE3 LYS 16 HE1 LYS 16 56.207 6.329 4.043 137 HZ1 LYS 16 HZ1 LYS 16 55.856 7.809 2.176 138 HZ2 LYS 16 HZ2 LYS 16 56.244 8.700 3.565 139 HZ3 LYS 16 HZ3 LYS 16 54.646 8.641 3.026 140 H ILE 17 HN ILE 17 50.148 3.168 1.905 141 HA ILE 17 HA ILE 17 47.580 3.941 2.791 142 HB ILE 17 HB ILE 17 48.014 3.035 0.495 143 HG12 ILE 17 HG12 ILE 17 45.889 1.532 2.039 144 HG13 ILE 17 HG11 ILE 17 45.730 3.179 1.440 145 HG21 ILE 17 HG21 ILE 17 48.073 0.607 0.148 146 HG22 ILE 17 HG22 ILE 17 48.139 0.365 1.894 147 HG23 ILE 17 HG23 ILE 17 49.471 1.170 1.065 148 HD11 ILE 17 HD11 ILE 17 45.933 2.359 -0.852 149 HD12 ILE 17 HD12 ILE 17 44.586 1.600 -0.003 150 HD13 ILE 17 HD13 ILE 17 46.090 0.711 -0.246 151 H VAL 18 HN VAL 18 49.647 1.221 3.612 152 HA VAL 18 HA VAL 18 47.725 -0.115 5.246 153 HB VAL 18 HB VAL 18 50.757 -0.268 5.236 154 HG11 VAL 18 HG11 VAL 18 50.503 -2.352 6.500 155 HG12 VAL 18 HG12 VAL 18 48.764 -2.077 6.603 156 HG13 VAL 18 HG13 VAL 18 49.880 -0.970 7.403 157 HG21 VAL 18 HG21 VAL 18 49.746 -1.015 3.155 158 HG22 VAL 18 HG22 VAL 18 48.663 -2.085 4.044 159 HG23 VAL 18 HG23 VAL 18 50.400 -2.388 4.046 160 H ASP 19 HN ASP 19 50.214 2.284 5.761 161 HA ASP 19 HA ASP 19 50.198 2.422 8.556 162 HB2 ASP 19 HB2 ASP 19 51.921 3.474 7.180 163 HB3 ASP 19 HB1 ASP 19 50.732 4.580 6.509 164 H LEU 20 HN LEU 20 48.273 4.105 6.129 165 HA LEU 20 HA LEU 20 46.872 5.756 7.967 166 HB2 LEU 20 HB2 LEU 20 46.180 4.957 5.144 167 HB3 LEU 20 HB1 LEU 20 45.367 6.215 6.050 168 HG LEU 20 HG LEU 20 48.257 6.232 5.175 169 HD11 LEU 20 HD11 LEU 20 46.725 6.625 3.348 170 HD12 LEU 20 HD12 LEU 20 47.573 8.111 3.773 171 HD13 LEU 20 HD13 LEU 20 45.901 7.875 4.279 172 HD21 LEU 20 HD21 LEU 20 46.689 8.296 6.721 173 HD22 LEU 20 HD22 LEU 20 48.300 8.532 6.051 174 HD23 LEU 20 HD23 LEU 20 48.041 7.339 7.323 175 H HIS 21 HN HIS 21 46.529 2.477 7.114 176 HA HIS 21 HA HIS 21 43.744 2.240 7.856 177 HB2 HIS 21 HB2 HIS 21 45.913 0.331 7.098 178 HB3 HIS 21 HB1 HIS 21 44.523 -0.285 7.977 179 HD1 HIS 21 HD1 HIS 21 45.487 1.173 4.656 180 HD2 HIS 21 HD2 HIS 21 42.138 -0.412 6.542 181 HE1 HIS 21 HE1 HIS 21 43.805 0.790 2.833 182 H LYS 22 HN LYS 22 46.748 2.336 9.417 183 HA LYS 22 HA LYS 22 45.719 1.041 11.819 184 HB2 LYS 22 HB2 LYS 22 48.498 1.915 11.036 185 HB3 LYS 22 HB1 LYS 22 48.089 1.191 12.586 186 HG2 LYS 22 HG2 LYS 22 47.532 -0.879 11.583 187 HG3 LYS 22 HG1 LYS 22 47.540 -0.177 9.964 188 HD2 LYS 22 HD2 LYS 22 49.902 0.150 10.054 189 HD3 LYS 22 HD1 LYS 22 49.968 -0.363 11.745 190 HE2 LYS 22 HE2 LYS 22 49.223 -2.064 9.360 191 HE3 LYS 22 HE1 LYS 22 50.728 -2.150 10.269 192 HZ1 LYS 22 HZ1 LYS 22 48.009 -2.870 11.201 193 HZ2 LYS 22 HZ2 LYS 22 49.330 -2.729 12.244 194 HZ3 LYS 22 HZ3 LYS 22 49.339 -3.897 11.023 195 H SER 23 HN SER 23 46.379 4.148 10.497 196 HA SER 23 HA SER 23 46.681 5.509 12.981 197 HB2 SER 23 HB2 SER 23 46.166 7.552 11.510 198 HB3 SER 23 HB1 SER 23 47.610 6.623 11.119 199 HG SER 23 HG SER 23 45.636 7.210 9.520 200 H GLY 24 HN GLY 24 43.966 5.091 10.692 201 HA2 GLY 24 HA2 GLY 24 41.929 4.491 12.191 202 HA3 GLY 24 HA1 GLY 24 42.196 6.113 12.801 203 H SER 25 HN SER 25 41.287 7.765 11.787 204 HA SER 25 HA SER 25 39.309 7.163 9.789 205 HB2 SER 25 HB2 SER 25 40.013 9.842 10.990 206 HB3 SER 25 HB1 SER 25 38.505 9.394 10.192 207 HG SER 25 HG SER 25 39.491 8.624 12.717 208 H SER 26 HN SER 26 42.346 7.315 9.154 209 HA SER 26 HA SER 26 42.628 9.504 7.358 210 HB2 SER 26 HB2 SER 26 44.248 6.967 7.509 211 HB3 SER 26 HB1 SER 26 44.739 8.496 6.778 212 HG SER 26 HG SER 26 44.450 9.411 8.942 213 H LEU 27 HN LEU 27 41.052 6.506 7.094 214 HA LEU 27 HA LEU 27 41.479 5.773 4.433 215 HB2 LEU 27 HB2 LEU 27 39.204 5.349 6.329 216 HB3 LEU 27 HB1 LEU 27 39.025 4.879 4.654 217 HG LEU 27 HG LEU 27 39.628 2.964 5.994 218 HD11 LEU 27 HD11 LEU 27 40.478 3.097 3.704 219 HD12 LEU 27 HD12 LEU 27 41.541 2.173 4.763 220 HD13 LEU 27 HD13 LEU 27 41.969 3.821 4.309 221 HD21 LEU 27 HD21 LEU 27 41.780 2.818 7.151 222 HD22 LEU 27 HD22 LEU 27 40.768 4.095 7.825 223 HD23 LEU 27 HD23 LEU 27 42.108 4.505 6.755 224 H GLY 28 HN GLY 28 39.084 7.997 5.790 225 HA2 GLY 28 HA2 GLY 28 37.675 8.541 3.431 226 HA3 GLY 28 HA1 GLY 28 37.800 9.627 4.809 227 H ALA 29 HN ALA 29 40.598 10.000 4.748 228 HA ALA 29 HA ALA 29 40.790 12.133 2.917 229 HB1 ALA 29 HB1 ALA 29 43.010 10.728 4.400 230 HB2 ALA 29 HB2 ALA 29 42.039 12.059 5.028 231 HB3 ALA 29 HB3 ALA 29 43.107 12.319 3.648 232 H ILE 30 HN ILE 30 41.872 8.794 2.808 233 HA ILE 30 HA ILE 30 43.484 8.961 0.501 234 HB ILE 30 HB ILE 30 41.823 6.608 1.442 235 HG12 ILE 30 HG12 ILE 30 44.711 7.295 2.022 236 HG13 ILE 30 HG11 ILE 30 43.382 7.439 3.166 237 HG21 ILE 30 HG21 ILE 30 42.553 6.357 -0.870 238 HG22 ILE 30 HG22 ILE 30 43.418 5.235 0.180 239 HG23 ILE 30 HG23 ILE 30 44.218 6.696 -0.396 240 HD11 ILE 30 HD11 ILE 30 43.037 5.016 3.040 241 HD12 ILE 30 HD12 ILE 30 44.661 5.432 3.587 242 HD13 ILE 30 HD13 ILE 30 44.400 4.891 1.928 243 H SER 31 HN SER 31 40.045 8.333 0.969 244 HA SER 31 HA SER 31 39.452 7.909 -1.765 245 HB2 SER 31 HB2 SER 31 37.589 8.792 0.450 246 HB3 SER 31 HB1 SER 31 37.130 8.031 -1.076 247 HG SER 31 HG SER 31 38.840 6.389 -0.103 248 H LYS 32 HN LYS 32 39.680 10.765 0.242 249 HA LYS 32 HA LYS 32 38.333 12.483 -1.625 250 HB2 LYS 32 HB2 LYS 32 40.070 13.142 0.756 251 HB3 LYS 32 HB1 LYS 32 39.159 14.321 -0.173 252 HG2 LYS 32 HG2 LYS 32 37.975 12.030 1.385 253 HG3 LYS 32 HG1 LYS 32 38.036 13.714 1.910 254 HD2 LYS 32 HD2 LYS 32 36.667 14.356 -0.021 255 HD3 LYS 32 HD1 LYS 32 36.605 12.670 -0.535 256 HE2 LYS 32 HE2 LYS 32 34.565 13.298 0.644 257 HE3 LYS 32 HE1 LYS 32 35.463 12.073 1.536 258 HZ1 LYS 32 HZ1 LYS 32 35.540 14.981 2.125 259 HZ2 LYS 32 HZ2 LYS 32 36.275 13.756 3.023 260 HZ3 LYS 32 HZ3 LYS 32 34.593 13.857 2.952 261 H ARG 33 HN ARG 33 41.728 11.917 -0.753 262 HA ARG 33 HA ARG 33 42.626 13.866 -2.679 263 HB2 ARG 33 HB2 ARG 33 44.185 11.931 -0.973 264 HB3 ARG 33 HB1 ARG 33 44.902 13.165 -1.996 265 HG2 ARG 33 HG2 ARG 33 43.657 14.871 -0.656 266 HG3 ARG 33 HG1 ARG 33 43.190 13.568 0.440 267 HD2 ARG 33 HD2 ARG 33 46.025 14.350 -0.237 268 HD3 ARG 33 HD1 ARG 33 45.171 14.798 1.236 269 HE ARG 33 HE ARG 33 45.169 12.477 1.875 270 HH11 ARG 33 HH11 ARG 33 47.245 13.243 -0.867 271 HH12 ARG 33 HH12 ARG 33 48.277 11.879 -0.627 272 HH21 ARG 33 HH21 ARG 33 46.544 10.666 2.179 273 HH22 ARG 33 HH22 ARG 33 47.875 10.405 1.099 274 H LEU 34 HN LEU 34 43.129 10.356 -2.324 275 HA LEU 34 HA LEU 34 44.316 10.228 -4.942 276 HB2 LEU 34 HB2 LEU 34 43.647 8.063 -2.952 277 HB3 LEU 34 HB1 LEU 34 44.412 7.765 -4.496 278 HG LEU 34 HG LEU 34 46.284 9.314 -3.695 279 HD11 LEU 34 HD11 LEU 34 46.564 9.513 -1.286 280 HD12 LEU 34 HD12 LEU 34 44.976 8.788 -1.038 281 HD13 LEU 34 HD13 LEU 34 45.115 10.350 -1.841 282 HD21 LEU 34 HD21 LEU 34 47.367 7.512 -2.452 283 HD22 LEU 34 HD22 LEU 34 46.524 6.904 -3.877 284 HD23 LEU 34 HD23 LEU 34 45.812 6.700 -2.276 285 H LYS 35 HN LYS 35 41.223 9.514 -3.491 286 HA LYS 35 HA LYS 35 39.255 8.742 -4.313 287 HB2 LYS 35 HB2 LYS 35 40.305 9.987 -6.861 288 HB3 LYS 35 HB1 LYS 35 38.636 9.516 -6.581 289 HG2 LYS 35 HG2 LYS 35 38.523 11.140 -4.732 290 HG3 LYS 35 HG1 LYS 35 40.171 11.644 -5.114 291 HD2 LYS 35 HD2 LYS 35 39.433 12.246 -7.378 292 HD3 LYS 35 HD1 LYS 35 37.785 11.798 -6.944 293 HE2 LYS 35 HE2 LYS 35 37.774 13.510 -5.202 294 HE3 LYS 35 HE1 LYS 35 39.428 13.954 -5.624 295 HZ1 LYS 35 HZ1 LYS 35 37.085 14.142 -7.435 296 HZ2 LYS 35 HZ2 LYS 35 38.668 14.600 -7.812 297 HZ3 LYS 35 HZ3 LYS 35 37.805 15.441 -6.627 298 H VAL 36 HN VAL 36 40.921 6.719 -4.077 299 HA VAL 36 HA VAL 36 41.314 5.296 -6.535 300 HB VAL 36 HB VAL 36 42.071 3.418 -5.083 301 HG11 VAL 36 HG11 VAL 36 43.282 6.097 -4.425 302 HG12 VAL 36 HG12 VAL 36 43.655 5.108 -5.836 303 HG13 VAL 36 HG13 VAL 36 44.070 4.533 -4.221 304 HG21 VAL 36 HG21 VAL 36 41.454 5.327 -2.823 305 HG22 VAL 36 HG22 VAL 36 42.304 3.790 -2.668 306 HG23 VAL 36 HG23 VAL 36 40.613 3.815 -3.165 307 HA PRO 37 HA PRO 37 37.471 3.120 -6.857 308 HB2 PRO 37 HB2 PRO 37 39.065 0.680 -7.420 309 HB3 PRO 37 HB1 PRO 37 37.831 1.466 -8.413 310 HG2 PRO 37 HG2 PRO 37 40.413 1.627 -9.059 311 HG3 PRO 37 HG1 PRO 37 39.326 3.011 -9.280 312 HD2 PRO 37 HD2 PRO 37 41.346 2.509 -7.131 313 HD3 PRO 37 HD1 PRO 37 40.947 4.019 -7.977 314 H ARG 38 HN ARG 38 36.193 2.146 -5.394 315 HA ARG 38 HA ARG 38 37.181 1.372 -2.885 316 HB2 ARG 38 HB2 ARG 38 34.495 0.799 -4.142 317 HB3 ARG 38 HB1 ARG 38 34.880 0.552 -2.445 318 HG2 ARG 38 HG2 ARG 38 35.357 2.958 -2.228 319 HG3 ARG 38 HG1 ARG 38 34.884 3.179 -3.914 320 HD2 ARG 38 HD2 ARG 38 32.652 2.284 -3.367 321 HD3 ARG 38 HD1 ARG 38 33.140 2.158 -1.678 322 HE ARG 38 HE ARG 38 33.403 4.784 -2.870 323 HH11 ARG 38 HH11 ARG 38 31.403 2.611 -0.966 324 HH12 ARG 38 HH12 ARG 38 30.441 3.878 -0.295 325 HH21 ARG 38 HH21 ARG 38 32.126 6.468 -1.983 326 HH22 ARG 38 HH22 ARG 38 30.852 6.082 -0.878 327 H SER 39 HN SER 39 36.563 -0.449 -5.780 328 HA SER 39 HA SER 39 36.598 -3.029 -4.665 329 HB2 SER 39 HB2 SER 39 35.851 -2.508 -6.989 330 HB3 SER 39 HB1 SER 39 37.528 -2.182 -7.424 331 HG SER 39 HG SER 39 36.222 -4.554 -7.168 332 H SER 40 HN SER 40 39.168 -0.879 -5.814 333 HA SER 40 HA SER 40 41.283 -2.711 -5.426 334 HB2 SER 40 HB2 SER 40 41.330 0.320 -5.429 335 HB3 SER 40 HB1 SER 40 42.741 -0.728 -5.581 336 HG SER 40 HG SER 40 41.718 -1.593 -7.497 337 H VAL 41 HN VAL 41 39.653 -0.368 -3.391 338 HA VAL 41 HA VAL 41 41.371 -0.469 -1.169 339 HB VAL 41 HB VAL 41 38.374 -0.000 -1.194 340 HG11 VAL 41 HG11 VAL 41 38.738 1.162 0.937 341 HG12 VAL 41 HG12 VAL 41 40.437 0.693 0.898 342 HG13 VAL 41 HG13 VAL 41 39.185 -0.540 1.039 343 HG21 VAL 41 HG21 VAL 41 40.659 1.967 -1.315 344 HG22 VAL 41 HG22 VAL 41 38.949 2.383 -1.189 345 HG23 VAL 41 HG23 VAL 41 39.557 1.571 -2.633 346 H GLN 42 HN GLN 42 38.440 -2.328 -1.960 347 HA GLN 42 HA GLN 42 38.477 -3.952 0.346 348 HB2 GLN 42 HB2 GLN 42 37.373 -4.642 -2.384 349 HB3 GLN 42 HB1 GLN 42 36.972 -5.446 -0.875 350 HG2 GLN 42 HG2 GLN 42 36.334 -2.603 -1.626 351 HG3 GLN 42 HG1 GLN 42 35.202 -3.947 -1.516 352 HE21 GLN 42 HE21 GLN 42 35.231 -1.388 -0.142 353 HE22 GLN 42 HE22 GLN 42 35.221 -1.743 1.548 354 H THR 43 HN THR 43 40.132 -4.157 -2.708 355 HA THR 43 HA THR 43 41.027 -6.832 -2.432 356 HB THR 43 HB THR 43 42.180 -4.576 -4.097 357 HG1 THR 43 HG1 THR 43 40.074 -5.032 -4.740 358 HG21 THR 43 HG21 THR 43 42.582 -7.571 -4.306 359 HG22 THR 43 HG22 THR 43 43.795 -6.401 -3.782 360 HG23 THR 43 HG23 THR 43 43.197 -6.368 -5.442 361 H ILE 44 HN ILE 44 42.547 -3.672 -1.719 362 HA ILE 44 HA ILE 44 44.979 -4.866 -0.865 363 HB ILE 44 HB ILE 44 44.935 -2.543 -1.696 364 HG12 ILE 44 HG12 ILE 44 46.386 -1.529 0.061 365 HG13 ILE 44 HG11 ILE 44 45.917 -2.827 1.152 366 HG21 ILE 44 HG21 ILE 44 44.128 -0.716 -0.302 367 HG22 ILE 44 HG22 ILE 44 43.521 -1.879 0.876 368 HG23 ILE 44 HG23 ILE 44 42.824 -1.819 -0.742 369 HD11 ILE 44 HD11 ILE 44 46.949 -4.458 -0.330 370 HD12 ILE 44 HD12 ILE 44 48.105 -3.218 0.152 371 HD13 ILE 44 HD13 ILE 44 47.383 -3.172 -1.457 372 H VAL 45 HN VAL 45 42.050 -3.843 0.855 373 HA VAL 45 HA VAL 45 43.174 -4.185 3.437 374 HB VAL 45 HB VAL 45 40.902 -4.202 4.330 375 HG11 VAL 45 HG11 VAL 45 40.114 -2.050 3.456 376 HG12 VAL 45 HG12 VAL 45 41.277 -2.183 2.139 377 HG13 VAL 45 HG13 VAL 45 41.841 -2.058 3.807 378 HG21 VAL 45 HG21 VAL 45 40.018 -4.396 1.463 379 HG22 VAL 45 HG22 VAL 45 38.950 -4.031 2.818 380 HG23 VAL 45 HG23 VAL 45 39.767 -5.593 2.732 381 H ARG 46 HN ARG 46 41.634 -6.369 1.179 382 HA ARG 46 HA ARG 46 41.407 -8.564 2.960 383 HB2 ARG 46 HB2 ARG 46 40.092 -8.497 0.907 384 HB3 ARG 46 HB1 ARG 46 41.549 -8.462 -0.067 385 HG2 ARG 46 HG2 ARG 46 41.107 -10.786 1.751 386 HG3 ARG 46 HG1 ARG 46 40.168 -10.679 0.262 387 HD2 ARG 46 HD2 ARG 46 42.179 -10.593 -1.059 388 HD3 ARG 46 HD1 ARG 46 43.176 -10.503 0.391 389 HE ARG 46 HE ARG 46 41.680 -12.849 0.540 390 HH11 ARG 46 HH11 ARG 46 44.162 -11.460 -1.504 391 HH12 ARG 46 HH12 ARG 46 44.865 -12.985 -1.916 392 HH21 ARG 46 HH21 ARG 46 42.627 -14.887 0.010 393 HH22 ARG 46 HH22 ARG 46 43.997 -14.936 -1.046 394 H LYS 47 HN LYS 47 43.821 -7.566 0.600 395 HA LYS 47 HA LYS 47 45.585 -9.723 0.940 396 HB2 LYS 47 HB2 LYS 47 45.620 -8.070 -0.933 397 HB3 LYS 47 HB1 LYS 47 46.245 -6.871 0.182 398 HG2 LYS 47 HG2 LYS 47 48.277 -8.122 0.472 399 HG3 LYS 47 HG1 LYS 47 47.639 -9.452 -0.502 400 HD2 LYS 47 HD2 LYS 47 47.502 -7.956 -2.444 401 HD3 LYS 47 HD1 LYS 47 48.148 -6.636 -1.470 402 HE2 LYS 47 HE2 LYS 47 49.872 -7.660 -2.874 403 HE3 LYS 47 HE1 LYS 47 50.226 -7.855 -1.160 404 HZ1 LYS 47 HZ1 LYS 47 50.619 -9.875 -2.466 405 HZ2 LYS 47 HZ2 LYS 47 48.984 -9.941 -2.876 406 HZ3 LYS 47 HZ3 LYS 47 49.464 -10.114 -1.260 407 H TYR 48 HN TYR 48 45.412 -6.542 2.489 408 HA TYR 48 HA TYR 48 47.683 -6.717 4.087 409 HB2 TYR 48 HB2 TYR 48 46.749 -4.583 3.953 410 HB3 TYR 48 HB1 TYR 48 45.125 -5.162 4.303 411 HD1 TYR 48 HD1 TYR 48 48.479 -4.727 5.898 412 HD2 TYR 48 HD2 TYR 48 44.266 -4.961 6.455 413 HE1 TYR 48 HE1 TYR 48 48.758 -4.127 8.270 414 HE2 TYR 48 HE2 TYR 48 44.538 -4.363 8.820 415 HH TYR 48 HH TYR 48 46.238 -4.454 10.540 416 H LYS 49 HN LYS 49 44.299 -7.390 5.078 417 HA LYS 49 HA LYS 49 45.102 -8.270 7.638 418 HB2 LYS 49 HB2 LYS 49 42.804 -9.064 7.941 419 HB3 LYS 49 HB1 LYS 49 42.853 -7.435 7.292 420 HG2 LYS 49 HG2 LYS 49 42.379 -8.340 5.053 421 HG3 LYS 49 HG1 LYS 49 42.269 -9.957 5.754 422 HD2 LYS 49 HD2 LYS 49 40.409 -9.259 7.147 423 HD3 LYS 49 HD1 LYS 49 40.554 -7.605 6.552 424 HE2 LYS 49 HE2 LYS 49 39.991 -8.344 4.309 425 HE3 LYS 49 HE1 LYS 49 39.908 -10.016 4.860 426 HZ1 LYS 49 HZ1 LYS 49 38.057 -9.418 6.284 427 HZ2 LYS 49 HZ2 LYS 49 37.715 -9.005 4.681 428 HZ3 LYS 49 HZ3 LYS 49 38.152 -7.808 5.785 429 H HIS 50 HN HIS 50 44.671 -9.965 4.610 430 HA HIS 50 HA HIS 50 44.707 -12.569 5.743 431 HB2 HIS 50 HB2 HIS 50 43.873 -12.092 3.447 432 HB3 HIS 50 HB1 HIS 50 45.521 -11.736 2.947 433 HD1 HIS 50 HD1 HIS 50 43.315 -14.594 3.994 434 HD2 HIS 50 HD2 HIS 50 47.091 -13.959 2.383 435 HE1 HIS 50 HE1 HIS 50 44.125 -16.859 3.274 436 H HIS 51 HN HIS 51 47.212 -10.443 4.428 437 HA HIS 51 HA HIS 51 49.295 -12.363 4.785 438 HB2 HIS 51 HB2 HIS 51 49.270 -10.395 3.142 439 HB3 HIS 51 HB1 HIS 51 49.681 -9.384 4.522 440 HD1 HIS 51 HD1 HIS 51 51.135 -11.551 1.984 441 HD2 HIS 51 HD2 HIS 51 52.279 -10.054 5.687 442 HE1 HIS 51 HE1 HIS 51 53.622 -11.886 2.100 443 H GLY 52 HN GLY 52 48.078 -9.607 6.602 444 HA2 GLY 52 HA2 GLY 52 50.095 -9.573 8.579 445 HA3 GLY 52 HA1 GLY 52 48.489 -8.878 8.731 446 H THR 53 HN THR 53 47.180 -11.457 8.221 447 HA THR 53 HA THR 53 47.366 -12.463 10.935 448 HB THR 53 HB THR 53 45.474 -13.308 8.719 449 HG1 THR 53 HG1 THR 53 45.102 -11.156 9.242 450 HG21 THR 53 HG21 THR 53 45.340 -13.723 11.711 451 HG22 THR 53 HG22 THR 53 45.721 -14.968 10.522 452 HG23 THR 53 HG23 THR 53 44.122 -14.222 10.538 453 H THR 54 HN THR 54 46.958 -14.314 7.867 454 HA THR 54 HA THR 54 49.480 -15.649 8.390 455 HB THR 54 HB THR 54 46.954 -17.309 8.148 456 HG1 THR 54 HG1 THR 54 48.385 -16.358 10.385 457 HG21 THR 54 HG21 THR 54 49.792 -18.066 8.864 458 HG22 THR 54 HG22 THR 54 49.012 -18.371 7.313 459 HG23 THR 54 HG23 THR 54 48.417 -19.167 8.769 460 H GLN 55 HN GLN 55 50.375 -15.214 6.466 461 HA GLN 55 HA GLN 55 48.805 -15.225 4.045 462 HB2 GLN 55 HB2 GLN 55 50.682 -14.281 2.965 463 HB3 GLN 55 HB1 GLN 55 50.673 -13.577 4.569 464 HG2 GLN 55 HG2 GLN 55 52.434 -15.858 3.692 465 HG3 GLN 55 HG1 GLN 55 52.926 -14.171 3.791 466 HE21 GLN 55 HE21 GLN 55 53.996 -16.501 5.149 467 HE22 GLN 55 HE22 GLN 55 53.868 -16.180 6.840 468 H HIS 56 HN HIS 56 50.789 -17.438 5.747 469 HA HIS 56 HA HIS 56 51.430 -19.571 5.374 470 HB2 HIS 56 HB2 HIS 56 49.798 -19.392 2.816 471 HB3 HIS 56 HB1 HIS 56 50.513 -20.866 3.454 472 HD1 HIS 56 HD1 HIS 56 47.532 -18.749 3.655 473 HD2 HIS 56 HD2 HIS 56 49.284 -21.749 5.936 474 HE1 HIS 56 HE1 HIS 56 45.745 -19.514 5.235 475 H HIS 57 HN HIS 57 51.329 -18.577 1.982 476 HA HIS 57 HA HIS 57 52.920 -18.478 0.370 477 HB2 HIS 57 HB2 HIS 57 53.316 -16.380 1.723 478 HB3 HIS 57 HB1 HIS 57 54.632 -17.222 2.523 479 HD1 HIS 57 HD1 HIS 57 53.769 -15.351 -0.516 480 HD2 HIS 57 HD2 HIS 57 56.871 -17.800 0.773 481 HE1 HIS 57 HE1 HIS 57 55.657 -14.945 -2.124 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 61.157 9.072 -20.062 2 H2 ALA 1 HT2 ALA 1 61.360 10.680 -19.599 3 H3 ALA 1 HT3 ALA 1 61.849 10.178 -21.137 4 HA ALA 1 HA ALA 1 59.801 11.405 -21.263 5 HB1 ALA 1 HB1 ALA 1 59.455 8.461 -21.793 6 HB2 ALA 1 HB2 ALA 1 60.194 9.632 -22.880 7 HB3 ALA 1 HB3 ALA 1 58.480 9.752 -22.489 8 H SER 2 HN SER 2 57.502 11.467 -20.820 9 HA SER 2 HA SER 2 56.968 10.696 -18.061 10 HB2 SER 2 HB2 SER 2 55.238 12.362 -19.894 11 HB3 SER 2 HB1 SER 2 55.173 12.283 -18.135 12 HG SER 2 HG SER 2 57.650 12.943 -18.862 13 H MET 3 HN MET 3 55.292 10.524 -21.197 14 HA MET 3 HA MET 3 53.482 8.498 -20.122 15 HB2 MET 3 HB2 MET 3 52.645 10.526 -21.385 16 HB3 MET 3 HB1 MET 3 53.388 9.853 -22.823 17 HG2 MET 3 HG2 MET 3 51.290 8.403 -21.228 18 HG3 MET 3 HG1 MET 3 50.910 9.485 -22.563 19 HE1 MET 3 HE1 MET 3 49.838 6.543 -22.523 20 HE2 MET 3 HE2 MET 3 50.186 6.020 -24.172 21 HE3 MET 3 HE3 MET 3 49.583 7.649 -23.873 22 H GLY 4 HN GLY 4 55.490 9.005 -23.030 23 HA2 GLY 4 HA2 GLY 4 55.279 6.274 -23.871 24 HA3 GLY 4 HA1 GLY 4 56.335 7.496 -24.559 25 H LYS 5 HN LYS 5 55.970 5.545 -21.653 26 HA LYS 5 HA LYS 5 58.513 4.349 -21.785 27 HB2 LYS 5 HB2 LYS 5 59.242 6.656 -21.190 28 HB3 LYS 5 HB1 LYS 5 58.264 6.569 -19.735 29 HG2 LYS 5 HG2 LYS 5 60.572 6.170 -19.196 30 HG3 LYS 5 HG1 LYS 5 59.650 4.685 -18.956 31 HD2 LYS 5 HD2 LYS 5 60.445 3.802 -21.057 32 HD3 LYS 5 HD1 LYS 5 61.255 5.324 -21.431 33 HE2 LYS 5 HE2 LYS 5 62.854 3.676 -20.641 34 HE3 LYS 5 HE1 LYS 5 62.721 5.009 -19.497 35 HZ1 LYS 5 HZ1 LYS 5 62.768 2.844 -18.410 36 HZ2 LYS 5 HZ2 LYS 5 61.366 2.382 -19.224 37 HZ3 LYS 5 HZ3 LYS 5 61.317 3.647 -18.102 38 H SER 6 HN SER 6 55.774 5.439 -19.937 39 HA SER 6 HA SER 6 54.357 4.418 -18.526 40 HB2 SER 6 HB2 SER 6 55.989 1.908 -18.989 41 HB3 SER 6 HB1 SER 6 54.411 1.984 -18.203 42 HG SER 6 HG SER 6 54.877 1.685 -20.745 43 H LYS 7 HN LYS 7 54.205 3.727 -16.304 44 HA LYS 7 HA LYS 7 56.728 3.968 -14.834 45 HB2 LYS 7 HB2 LYS 7 54.196 5.511 -14.258 46 HB3 LYS 7 HB1 LYS 7 55.587 5.444 -13.187 47 HG2 LYS 7 HG2 LYS 7 56.962 6.523 -14.876 48 HG3 LYS 7 HG1 LYS 7 55.594 6.550 -15.989 49 HD2 LYS 7 HD2 LYS 7 54.362 7.988 -14.448 50 HD3 LYS 7 HD1 LYS 7 55.711 7.937 -13.311 51 HE2 LYS 7 HE2 LYS 7 57.150 9.004 -14.972 52 HE3 LYS 7 HE1 LYS 7 55.809 9.043 -16.115 53 HZ1 LYS 7 HZ1 LYS 7 56.146 11.166 -14.958 54 HZ2 LYS 7 HZ2 LYS 7 55.820 10.416 -13.483 55 HZ3 LYS 7 HZ3 LYS 7 54.620 10.514 -14.661 56 H GLU 8 HN GLU 8 56.764 3.000 -12.830 57 HA GLU 8 HA GLU 8 54.745 0.936 -12.467 58 HB2 GLU 8 HB2 GLU 8 56.459 0.077 -10.744 59 HB3 GLU 8 HB1 GLU 8 56.861 -0.061 -12.446 60 HG2 GLU 8 HG2 GLU 8 57.808 2.267 -10.809 61 HG3 GLU 8 HG1 GLU 8 58.674 0.731 -10.810 62 H ILE 9 HN ILE 9 54.151 0.401 -10.193 63 HA ILE 9 HA ILE 9 53.294 2.843 -8.882 64 HB ILE 9 HB ILE 9 52.619 -0.053 -8.298 65 HG12 ILE 9 HG12 ILE 9 51.740 0.715 -10.453 66 HG13 ILE 9 HG11 ILE 9 50.435 0.475 -9.297 67 HG21 ILE 9 HG21 ILE 9 51.395 2.453 -7.147 68 HG22 ILE 9 HG22 ILE 9 52.419 1.307 -6.283 69 HG23 ILE 9 HG23 ILE 9 50.831 0.806 -6.865 70 HD11 ILE 9 HD11 ILE 9 50.065 2.476 -10.596 71 HD12 ILE 9 HD12 ILE 9 51.633 3.114 -10.109 72 HD13 ILE 9 HD13 ILE 9 50.358 2.898 -8.909 73 H SER 10 HN SER 10 53.976 3.549 -6.951 74 HA SER 10 HA SER 10 56.363 2.359 -5.839 75 HB2 SER 10 HB2 SER 10 54.822 4.818 -4.982 76 HB3 SER 10 HB1 SER 10 56.437 4.363 -4.442 77 HG SER 10 HG SER 10 56.360 4.387 -7.125 78 H GLN 11 HN GLN 11 56.556 1.478 -3.792 79 HA GLN 11 HA GLN 11 54.239 0.226 -2.723 80 HB2 GLN 11 HB2 GLN 11 57.067 0.434 -1.684 81 HB3 GLN 11 HB1 GLN 11 55.808 -0.469 -0.858 82 HG2 GLN 11 HG2 GLN 11 57.084 -2.023 -2.107 83 HG3 GLN 11 HG1 GLN 11 55.541 -1.835 -2.936 84 HE21 GLN 11 HE21 GLN 11 56.335 -2.509 -4.885 85 HE22 GLN 11 HE22 GLN 11 57.424 -1.564 -5.838 86 H ASP 12 HN ASP 12 55.762 3.222 -2.219 87 HA ASP 12 HA ASP 12 55.131 3.931 0.374 88 HB2 ASP 12 HB2 ASP 12 56.414 5.372 -1.122 89 HB3 ASP 12 HB1 ASP 12 54.998 5.630 -2.128 90 H LEU 13 HN LEU 13 53.077 4.016 -2.497 91 HA LEU 13 HA LEU 13 50.808 5.148 -1.250 92 HB2 LEU 13 HB2 LEU 13 51.243 5.108 -3.710 93 HB3 LEU 13 HB1 LEU 13 50.945 3.387 -3.710 94 HG LEU 13 HG LEU 13 49.079 4.913 -4.557 95 HD11 LEU 13 HD11 LEU 13 48.693 2.570 -4.076 96 HD12 LEU 13 HD12 LEU 13 47.305 3.544 -3.586 97 HD13 LEU 13 HD13 LEU 13 48.435 2.943 -2.371 98 HD21 LEU 13 HD21 LEU 13 49.202 6.595 -2.797 99 HD22 LEU 13 HD22 LEU 13 48.726 5.389 -1.600 100 HD23 LEU 13 HD23 LEU 13 47.598 5.864 -2.868 101 H ARG 14 HN ARG 14 51.773 1.808 -1.921 102 HA ARG 14 HA ARG 14 49.416 0.581 -0.976 103 HB2 ARG 14 HB2 ARG 14 51.160 -0.503 -2.423 104 HB3 ARG 14 HB1 ARG 14 52.189 -0.621 -1.003 105 HG2 ARG 14 HG2 ARG 14 50.530 -2.040 0.090 106 HG3 ARG 14 HG1 ARG 14 49.485 -1.911 -1.325 107 HD2 ARG 14 HD2 ARG 14 50.642 -3.995 -1.468 108 HD3 ARG 14 HD1 ARG 14 51.329 -2.915 -2.680 109 HE ARG 14 HE ARG 14 52.767 -2.841 -0.209 110 HH11 ARG 14 HH11 ARG 14 52.376 -4.660 -3.188 111 HH12 ARG 14 HH12 ARG 14 53.964 -5.344 -3.131 112 HH21 ARG 14 HH21 ARG 14 54.853 -3.773 -0.104 113 HH22 ARG 14 HH22 ARG 14 55.391 -4.842 -1.350 114 H LYS 15 HN LYS 15 52.444 1.431 0.607 115 HA LYS 15 HA LYS 15 51.791 0.244 3.114 116 HB2 LYS 15 HB2 LYS 15 53.780 2.393 2.374 117 HB3 LYS 15 HB1 LYS 15 53.669 1.656 3.965 118 HG2 LYS 15 HG2 LYS 15 54.328 -0.470 3.113 119 HG3 LYS 15 HG1 LYS 15 54.198 0.099 1.447 120 HD2 LYS 15 HD2 LYS 15 56.535 0.001 2.190 121 HD3 LYS 15 HD1 LYS 15 56.041 1.652 1.820 122 HE2 LYS 15 HE2 LYS 15 55.697 2.076 4.211 123 HE3 LYS 15 HE1 LYS 15 56.201 0.425 4.573 124 HZ1 LYS 15 HZ1 LYS 15 58.372 0.937 3.631 125 HZ2 LYS 15 HZ2 LYS 15 57.998 1.976 4.908 126 HZ3 LYS 15 HZ3 LYS 15 57.880 2.525 3.316 127 H LYS 16 HN LYS 16 51.360 3.413 1.688 128 HA LYS 16 HA LYS 16 50.666 4.856 3.983 129 HB2 LYS 16 HB2 LYS 16 51.239 5.901 1.840 130 HB3 LYS 16 HB1 LYS 16 49.760 5.276 1.132 131 HG2 LYS 16 HG2 LYS 16 48.432 6.651 2.634 132 HG3 LYS 16 HG1 LYS 16 49.901 7.245 3.410 133 HD2 LYS 16 HD2 LYS 16 49.160 7.639 0.506 134 HD3 LYS 16 HD1 LYS 16 49.020 8.856 1.777 135 HE2 LYS 16 HE2 LYS 16 51.461 8.688 2.146 136 HE3 LYS 16 HE1 LYS 16 51.563 7.559 0.799 137 HZ1 LYS 16 HZ1 LYS 16 52.141 9.808 0.149 138 HZ2 LYS 16 HZ2 LYS 16 50.617 10.366 0.611 139 HZ3 LYS 16 HZ3 LYS 16 50.765 9.277 -0.674 140 H ILE 17 HN ILE 17 48.565 3.271 1.577 141 HA ILE 17 HA ILE 17 46.168 3.939 2.851 142 HB ILE 17 HB ILE 17 46.234 3.150 0.521 143 HG12 ILE 17 HG12 ILE 17 44.277 1.589 0.610 144 HG13 ILE 17 HG11 ILE 17 44.506 1.476 2.350 145 HG21 ILE 17 HG21 ILE 17 46.825 0.433 1.667 146 HG22 ILE 17 HG22 ILE 17 47.917 1.425 0.700 147 HG23 ILE 17 HG23 ILE 17 46.442 0.777 -0.020 148 HD11 ILE 17 HD11 ILE 17 44.078 3.865 2.565 149 HD12 ILE 17 HD12 ILE 17 42.736 3.037 1.776 150 HD13 ILE 17 HD13 ILE 17 43.872 3.988 0.818 151 H VAL 18 HN VAL 18 48.305 1.150 3.296 152 HA VAL 18 HA VAL 18 46.623 -0.305 5.034 153 HB VAL 18 HB VAL 18 49.649 -0.303 4.854 154 HG11 VAL 18 HG11 VAL 18 49.550 -2.472 5.991 155 HG12 VAL 18 HG12 VAL 18 47.808 -2.286 6.194 156 HG13 VAL 18 HG13 VAL 18 48.914 -1.181 7.010 157 HG21 VAL 18 HG21 VAL 18 48.568 -0.966 2.782 158 HG22 VAL 18 HG22 VAL 18 47.579 -2.137 3.654 159 HG23 VAL 18 HG23 VAL 18 49.326 -2.359 3.553 160 H ASP 19 HN ASP 19 49.284 1.965 5.710 161 HA ASP 19 HA ASP 19 49.103 1.791 8.506 162 HB2 ASP 19 HB2 ASP 19 50.350 3.760 6.648 163 HB3 ASP 19 HB1 ASP 19 50.212 4.166 8.354 164 H LEU 20 HN LEU 20 47.456 3.924 6.241 165 HA LEU 20 HA LEU 20 46.290 5.484 8.309 166 HB2 LEU 20 HB2 LEU 20 45.882 5.261 5.379 167 HB3 LEU 20 HB1 LEU 20 44.586 5.969 6.322 168 HG LEU 20 HG LEU 20 45.977 7.735 5.444 169 HD11 LEU 20 HD11 LEU 20 46.521 8.921 7.452 170 HD12 LEU 20 HD12 LEU 20 46.560 7.425 8.378 171 HD13 LEU 20 HD13 LEU 20 45.036 8.004 7.703 172 HD21 LEU 20 HD21 LEU 20 48.338 7.950 6.019 173 HD22 LEU 20 HD22 LEU 20 48.039 6.467 5.115 174 HD23 LEU 20 HD23 LEU 20 48.283 6.402 6.860 175 H HIS 21 HN HIS 21 45.393 2.484 6.784 176 HA HIS 21 HA HIS 21 42.709 2.413 7.748 177 HB2 HIS 21 HB2 HIS 21 44.622 0.334 6.751 178 HB3 HIS 21 HB1 HIS 21 43.171 -0.184 7.599 179 HD1 HIS 21 HD1 HIS 21 40.891 1.086 6.509 180 HD2 HIS 21 HD2 HIS 21 44.211 0.453 4.099 181 HE1 HIS 21 HE1 HIS 21 40.047 1.242 4.153 182 H LYS 22 HN LYS 22 45.780 1.257 8.989 183 HA LYS 22 HA LYS 22 44.871 -0.032 11.291 184 HB2 LYS 22 HB2 LYS 22 47.471 1.377 10.701 185 HB3 LYS 22 HB1 LYS 22 47.195 0.403 12.138 186 HG2 LYS 22 HG2 LYS 22 47.109 -1.579 10.940 187 HG3 LYS 22 HG1 LYS 22 46.728 -0.762 9.424 188 HD2 LYS 22 HD2 LYS 22 49.035 -1.644 9.497 189 HD3 LYS 22 HD1 LYS 22 48.971 0.101 9.274 190 HE2 LYS 22 HE2 LYS 22 49.326 0.339 11.743 191 HE3 LYS 22 HE1 LYS 22 49.585 -1.403 11.809 192 HZ1 LYS 22 HZ1 LYS 22 51.671 -0.219 11.683 193 HZ2 LYS 22 HZ2 LYS 22 51.201 0.538 10.245 194 HZ3 LYS 22 HZ3 LYS 22 51.444 -1.134 10.279 195 H SER 23 HN SER 23 45.868 3.345 10.802 196 HA SER 23 HA SER 23 45.329 4.113 13.491 197 HB2 SER 23 HB2 SER 23 45.515 5.849 11.017 198 HB3 SER 23 HB1 SER 23 45.653 6.394 12.690 199 HG SER 23 HG SER 23 47.452 4.780 12.771 200 H GLY 24 HN GLY 24 43.517 4.230 10.458 201 HA2 GLY 24 HA2 GLY 24 41.270 4.385 10.056 202 HA3 GLY 24 HA1 GLY 24 41.014 4.053 11.758 203 H SER 25 HN SER 25 42.225 6.728 9.726 204 HA SER 25 HA SER 25 40.278 8.460 11.004 205 HB2 SER 25 HB2 SER 25 42.263 8.688 12.430 206 HB3 SER 25 HB1 SER 25 43.233 9.121 11.023 207 HG SER 25 HG SER 25 41.922 10.759 12.559 208 H SER 26 HN SER 26 43.159 9.069 8.968 209 HA SER 26 HA SER 26 41.704 10.968 7.400 210 HB2 SER 26 HB2 SER 26 44.491 9.910 6.942 211 HB3 SER 26 HB1 SER 26 43.810 11.423 6.342 212 HG SER 26 HG SER 26 43.652 12.149 8.474 213 H LEU 27 HN LEU 27 40.604 8.313 7.053 214 HA LEU 27 HA LEU 27 41.474 7.244 4.549 215 HB2 LEU 27 HB2 LEU 27 38.964 6.854 6.165 216 HB3 LEU 27 HB1 LEU 27 39.155 6.123 4.588 217 HG LEU 27 HG LEU 27 39.652 4.464 6.214 218 HD11 LEU 27 HD11 LEU 27 41.102 4.483 4.251 219 HD12 LEU 27 HD12 LEU 27 41.919 3.839 5.674 220 HD13 LEU 27 HD13 LEU 27 42.268 5.477 5.126 221 HD21 LEU 27 HD21 LEU 27 41.607 6.412 7.423 222 HD22 LEU 27 HD22 LEU 27 41.397 4.731 7.914 223 HD23 LEU 27 HD23 LEU 27 40.080 5.885 8.131 224 H GLY 28 HN GLY 28 38.992 9.525 5.540 225 HA2 GLY 28 HA2 GLY 28 37.747 9.863 3.044 226 HA3 GLY 28 HA1 GLY 28 37.766 11.046 4.348 227 H ALA 29 HN ALA 29 40.638 11.256 4.438 228 HA ALA 29 HA ALA 29 41.045 13.293 2.533 229 HB1 ALA 29 HB1 ALA 29 43.072 11.796 4.196 230 HB2 ALA 29 HB2 ALA 29 42.213 13.257 4.679 231 HB3 ALA 29 HB3 ALA 29 43.362 13.310 3.343 232 H ILE 30 HN ILE 30 42.221 9.958 2.757 233 HA ILE 30 HA ILE 30 43.797 9.937 0.434 234 HB ILE 30 HB ILE 30 42.254 7.602 1.598 235 HG12 ILE 30 HG12 ILE 30 45.058 8.554 2.223 236 HG13 ILE 30 HG11 ILE 30 43.666 8.718 3.287 237 HG21 ILE 30 HG21 ILE 30 43.136 7.182 -0.647 238 HG22 ILE 30 HG22 ILE 30 43.979 6.217 0.564 239 HG23 ILE 30 HG23 ILE 30 44.746 7.655 -0.105 240 HD11 ILE 30 HD11 ILE 30 44.879 6.128 2.357 241 HD12 ILE 30 HD12 ILE 30 43.488 6.290 3.428 242 HD13 ILE 30 HD13 ILE 30 45.075 6.856 3.949 243 H SER 31 HN SER 31 40.365 9.517 0.930 244 HA SER 31 HA SER 31 39.658 8.426 -1.542 245 HB2 SER 31 HB2 SER 31 38.036 10.280 0.214 246 HB3 SER 31 HB1 SER 31 37.394 9.245 -1.060 247 HG SER 31 HG SER 31 38.862 8.229 1.160 248 H LYS 32 HN LYS 32 40.252 11.795 -0.620 249 HA LYS 32 HA LYS 32 39.482 12.639 -3.308 250 HB2 LYS 32 HB2 LYS 32 40.022 14.157 -0.783 251 HB3 LYS 32 HB1 LYS 32 40.095 14.978 -2.332 252 HG2 LYS 32 HG2 LYS 32 37.926 15.387 -1.734 253 HG3 LYS 32 HG1 LYS 32 37.727 13.911 -2.672 254 HD2 LYS 32 HD2 LYS 32 36.428 13.658 -0.703 255 HD3 LYS 32 HD1 LYS 32 37.860 12.647 -0.493 256 HE2 LYS 32 HE2 LYS 32 38.885 14.325 0.915 257 HE3 LYS 32 HE1 LYS 32 37.553 15.438 0.611 258 HZ1 LYS 32 HZ1 LYS 32 37.311 12.824 1.992 259 HZ2 LYS 32 HZ2 LYS 32 36.065 13.940 1.757 260 HZ3 LYS 32 HZ3 LYS 32 37.365 14.328 2.760 261 H ARG 33 HN ARG 33 42.347 12.346 -1.301 262 HA ARG 33 HA ARG 33 43.972 13.827 -3.158 263 HB2 ARG 33 HB2 ARG 33 44.815 12.142 -0.802 264 HB3 ARG 33 HB1 ARG 33 45.859 13.225 -1.712 265 HG2 ARG 33 HG2 ARG 33 44.325 15.097 -1.053 266 HG3 ARG 33 HG1 ARG 33 43.517 13.958 0.024 267 HD2 ARG 33 HD2 ARG 33 46.410 14.800 0.120 268 HD3 ARG 33 HD1 ARG 33 45.145 15.249 1.257 269 HE ARG 33 HE ARG 33 45.927 12.435 0.921 270 HH11 ARG 33 HH11 ARG 33 45.578 15.268 2.956 271 HH12 ARG 33 HH12 ARG 33 45.931 14.418 4.419 272 HH21 ARG 33 HH21 ARG 33 46.421 11.312 2.867 273 HH22 ARG 33 HH22 ARG 33 46.421 12.171 4.371 274 H LEU 34 HN LEU 34 43.245 10.436 -2.651 275 HA LEU 34 HA LEU 34 45.127 9.816 -4.833 276 HB2 LEU 34 HB2 LEU 34 44.376 8.166 -2.436 277 HB3 LEU 34 HB1 LEU 34 45.064 7.438 -3.869 278 HG LEU 34 HG LEU 34 46.830 7.702 -2.327 279 HD11 LEU 34 HD11 LEU 34 47.393 8.284 -4.627 280 HD12 LEU 34 HD12 LEU 34 48.376 9.165 -3.460 281 HD13 LEU 34 HD13 LEU 34 47.047 9.980 -4.281 282 HD21 LEU 34 HD21 LEU 34 45.811 9.296 -0.814 283 HD22 LEU 34 HD22 LEU 34 45.995 10.576 -2.012 284 HD23 LEU 34 HD23 LEU 34 47.422 9.834 -1.289 285 H LYS 35 HN LYS 35 41.923 10.127 -4.163 286 HA LYS 35 HA LYS 35 39.959 9.279 -4.969 287 HB2 LYS 35 HB2 LYS 35 39.810 9.261 -7.413 288 HB3 LYS 35 HB1 LYS 35 40.762 10.625 -6.858 289 HG2 LYS 35 HG2 LYS 35 42.815 9.404 -7.448 290 HG3 LYS 35 HG1 LYS 35 41.826 8.071 -8.046 291 HD2 LYS 35 HD2 LYS 35 40.797 9.586 -9.682 292 HD3 LYS 35 HD1 LYS 35 41.816 10.900 -9.091 293 HE2 LYS 35 HE2 LYS 35 42.782 8.331 -10.342 294 HE3 LYS 35 HE1 LYS 35 42.732 9.908 -11.127 295 HZ1 LYS 35 HZ1 LYS 35 44.354 9.218 -8.734 296 HZ2 LYS 35 HZ2 LYS 35 44.315 10.728 -9.496 297 HZ3 LYS 35 HZ3 LYS 35 44.938 9.387 -10.309 298 H VAL 36 HN VAL 36 41.439 7.276 -3.745 299 HA VAL 36 HA VAL 36 41.620 4.950 -5.366 300 HB VAL 36 HB VAL 36 43.077 5.241 -3.426 301 HG11 VAL 36 HG11 VAL 36 42.240 5.008 -1.140 302 HG12 VAL 36 HG12 VAL 36 40.587 4.975 -1.751 303 HG13 VAL 36 HG13 VAL 36 41.568 6.427 -1.942 304 HG21 VAL 36 HG21 VAL 36 42.666 2.978 -4.170 305 HG22 VAL 36 HG22 VAL 36 41.225 2.876 -3.157 306 HG23 VAL 36 HG23 VAL 36 42.819 3.007 -2.413 307 HA PRO 37 HA PRO 37 37.331 3.808 -4.913 308 HB2 PRO 37 HB2 PRO 37 37.361 1.734 -6.608 309 HB3 PRO 37 HB1 PRO 37 37.442 3.398 -7.195 310 HG2 PRO 37 HG2 PRO 37 39.625 1.387 -6.886 311 HG3 PRO 37 HG1 PRO 37 39.369 2.582 -8.170 312 HD2 PRO 37 HD2 PRO 37 41.124 2.884 -6.049 313 HD3 PRO 37 HD1 PRO 37 40.459 4.216 -7.013 314 H ARG 38 HN ARG 38 36.157 2.004 -4.068 315 HA ARG 38 HA ARG 38 37.435 0.675 -1.960 316 HB2 ARG 38 HB2 ARG 38 34.776 0.201 -3.295 317 HB3 ARG 38 HB1 ARG 38 35.322 -0.769 -1.938 318 HG2 ARG 38 HG2 ARG 38 34.927 2.220 -1.909 319 HG3 ARG 38 HG1 ARG 38 33.825 1.022 -1.224 320 HD2 ARG 38 HD2 ARG 38 35.661 0.264 0.267 321 HD3 ARG 38 HD1 ARG 38 36.665 1.567 -0.361 322 HE ARG 38 HE ARG 38 34.158 2.477 0.694 323 HH11 ARG 38 HH11 ARG 38 37.443 1.605 1.513 324 HH12 ARG 38 HH12 ARG 38 37.483 2.537 2.965 325 HH21 ARG 38 HH21 ARG 38 34.195 3.733 2.631 326 HH22 ARG 38 HH22 ARG 38 35.628 3.764 3.596 327 H SER 39 HN SER 39 37.050 -0.186 -5.291 328 HA SER 39 HA SER 39 37.503 -2.918 -5.237 329 HB2 SER 39 HB2 SER 39 38.743 -1.003 -7.220 330 HB3 SER 39 HB1 SER 39 38.303 -2.690 -7.489 331 HG SER 39 HG SER 39 36.157 -2.142 -7.388 332 H SER 40 HN SER 40 39.808 -0.229 -5.031 333 HA SER 40 HA SER 40 42.090 -1.995 -4.947 334 HB2 SER 40 HB2 SER 40 41.966 0.971 -4.387 335 HB3 SER 40 HB1 SER 40 43.400 0.024 -4.789 336 HG SER 40 HG SER 40 42.021 -0.498 -6.781 337 H VAL 41 HN VAL 41 40.025 -0.341 -2.693 338 HA VAL 41 HA VAL 41 41.760 -0.486 -0.443 339 HB VAL 41 HB VAL 41 38.746 -0.210 -0.525 340 HG11 VAL 41 HG11 VAL 41 38.961 0.678 1.750 341 HG12 VAL 41 HG12 VAL 41 40.684 0.305 1.727 342 HG13 VAL 41 HG13 VAL 41 39.499 -0.998 1.645 343 HG21 VAL 41 HG21 VAL 41 39.872 1.606 -1.691 344 HG22 VAL 41 HG22 VAL 41 40.912 1.880 -0.295 345 HG23 VAL 41 HG23 VAL 41 39.179 2.184 -0.176 346 H GLN 42 HN GLN 42 38.837 -2.338 -1.281 347 HA GLN 42 HA GLN 42 38.996 -4.144 0.839 348 HB2 GLN 42 HB2 GLN 42 37.514 -4.003 -1.714 349 HB3 GLN 42 HB1 GLN 42 37.654 -5.600 -0.994 350 HG2 GLN 42 HG2 GLN 42 35.589 -4.448 -0.340 351 HG3 GLN 42 HG1 GLN 42 36.610 -4.832 1.038 352 HE21 GLN 42 HE21 GLN 42 35.716 -3.285 2.345 353 HE22 GLN 42 HE22 GLN 42 35.981 -1.590 2.125 354 H THR 43 HN THR 43 40.547 -4.264 -2.317 355 HA THR 43 HA THR 43 41.336 -6.993 -2.032 356 HB THR 43 HB THR 43 42.931 -6.415 -3.945 357 HG1 THR 43 HG1 THR 43 41.424 -4.146 -4.472 358 HG21 THR 43 HG21 THR 43 41.110 -6.326 -5.591 359 HG22 THR 43 HG22 THR 43 39.976 -5.893 -4.312 360 HG23 THR 43 HG23 THR 43 40.750 -7.476 -4.304 361 H ILE 44 HN ILE 44 42.694 -3.925 -1.083 362 HA ILE 44 HA ILE 44 45.305 -5.061 -0.614 363 HB ILE 44 HB ILE 44 44.576 -2.530 -1.238 364 HG12 ILE 44 HG12 ILE 44 46.852 -3.423 -1.376 365 HG13 ILE 44 HG11 ILE 44 46.849 -1.819 -0.658 366 HG21 ILE 44 HG21 ILE 44 44.929 -1.032 0.665 367 HG22 ILE 44 HG22 ILE 44 44.974 -2.427 1.744 368 HG23 ILE 44 HG23 ILE 44 43.494 -2.039 0.867 369 HD11 ILE 44 HD11 ILE 44 47.116 -2.811 1.554 370 HD12 ILE 44 HD12 ILE 44 48.413 -3.299 0.463 371 HD13 ILE 44 HD13 ILE 44 47.103 -4.421 0.834 372 H VAL 45 HN VAL 45 42.506 -4.079 1.333 373 HA VAL 45 HA VAL 45 43.769 -4.420 3.836 374 HB VAL 45 HB VAL 45 41.481 -4.537 4.810 375 HG11 VAL 45 HG11 VAL 45 40.794 -2.278 4.157 376 HG12 VAL 45 HG12 VAL 45 41.911 -2.343 2.794 377 HG13 VAL 45 HG13 VAL 45 42.529 -2.385 4.445 378 HG21 VAL 45 HG21 VAL 45 40.602 -4.398 1.938 379 HG22 VAL 45 HG22 VAL 45 39.545 -4.179 3.333 380 HG23 VAL 45 HG23 VAL 45 40.331 -5.735 3.055 381 H ARG 46 HN ARG 46 42.079 -6.630 1.732 382 HA ARG 46 HA ARG 46 42.013 -8.799 3.575 383 HB2 ARG 46 HB2 ARG 46 41.688 -8.593 0.589 384 HB3 ARG 46 HB1 ARG 46 41.658 -10.142 1.420 385 HG2 ARG 46 HG2 ARG 46 39.834 -7.910 2.234 386 HG3 ARG 46 HG1 ARG 46 39.430 -8.994 0.901 387 HD2 ARG 46 HD2 ARG 46 40.082 -9.863 3.716 388 HD3 ARG 46 HD1 ARG 46 38.455 -9.721 3.050 389 HE ARG 46 HE ARG 46 39.891 -11.368 1.340 390 HH11 ARG 46 HH11 ARG 46 38.800 -11.446 4.668 391 HH12 ARG 46 HH12 ARG 46 38.701 -13.173 4.726 392 HH21 ARG 46 HH21 ARG 46 39.737 -13.632 1.400 393 HH22 ARG 46 HH22 ARG 46 39.220 -14.428 2.850 394 H LYS 47 HN LYS 47 44.333 -7.554 1.321 395 HA LYS 47 HA LYS 47 45.889 -9.904 1.068 396 HB2 LYS 47 HB2 LYS 47 45.970 -8.153 -0.615 397 HB3 LYS 47 HB1 LYS 47 46.623 -7.019 0.558 398 HG2 LYS 47 HG2 LYS 47 48.652 -8.354 0.747 399 HG3 LYS 47 HG1 LYS 47 47.993 -9.533 -0.387 400 HD2 LYS 47 HD2 LYS 47 48.487 -6.625 -1.037 401 HD3 LYS 47 HD1 LYS 47 49.606 -7.934 -1.413 402 HE2 LYS 47 HE2 LYS 47 47.808 -9.009 -2.754 403 HE3 LYS 47 HE1 LYS 47 46.793 -7.601 -2.453 404 HZ1 LYS 47 HZ1 LYS 47 49.429 -7.515 -3.815 405 HZ2 LYS 47 HZ2 LYS 47 48.355 -6.223 -3.615 406 HZ3 LYS 47 HZ3 LYS 47 47.938 -7.524 -4.604 407 H TYR 48 HN TYR 48 46.513 -6.900 2.958 408 HA TYR 48 HA TYR 48 48.885 -8.002 4.034 409 HB2 TYR 48 HB2 TYR 48 49.071 -6.060 5.457 410 HB3 TYR 48 HB1 TYR 48 48.587 -5.565 3.846 411 HD1 TYR 48 HD1 TYR 48 47.295 -6.158 7.287 412 HD2 TYR 48 HD2 TYR 48 46.677 -4.221 3.552 413 HE1 TYR 48 HE1 TYR 48 45.478 -4.842 8.280 414 HE2 TYR 48 HE2 TYR 48 44.852 -2.899 4.538 415 HH TYR 48 HH TYR 48 44.287 -2.796 7.920 416 H LYS 49 HN LYS 49 45.581 -8.028 5.229 417 HA LYS 49 HA LYS 49 46.316 -8.902 7.847 418 HB2 LYS 49 HB2 LYS 49 43.974 -9.338 8.224 419 HB3 LYS 49 HB1 LYS 49 44.128 -7.822 7.352 420 HG2 LYS 49 HG2 LYS 49 43.418 -8.833 5.314 421 HG3 LYS 49 HG1 LYS 49 43.498 -10.446 6.023 422 HD2 LYS 49 HD2 LYS 49 41.191 -9.713 5.908 423 HD3 LYS 49 HD1 LYS 49 41.700 -9.816 7.593 424 HE2 LYS 49 HE2 LYS 49 42.068 -7.392 7.618 425 HE3 LYS 49 HE1 LYS 49 41.540 -7.297 5.939 426 HZ1 LYS 49 HZ1 LYS 49 39.378 -8.176 6.647 427 HZ2 LYS 49 HZ2 LYS 49 39.749 -6.710 7.393 428 HZ3 LYS 49 HZ3 LYS 49 39.900 -8.155 8.256 429 H HIS 50 HN HIS 50 45.660 -10.475 4.822 430 HA HIS 50 HA HIS 50 45.410 -13.118 5.881 431 HB2 HIS 50 HB2 HIS 50 44.487 -12.309 3.667 432 HB3 HIS 50 HB1 HIS 50 46.135 -12.310 3.059 433 HD1 HIS 50 HD1 HIS 50 43.221 -14.426 3.471 434 HD2 HIS 50 HD2 HIS 50 47.306 -15.003 3.023 435 HE1 HIS 50 HE1 HIS 50 43.480 -16.821 2.769 436 H HIS 51 HN HIS 51 47.967 -11.270 4.297 437 HA HIS 51 HA HIS 51 49.901 -13.262 4.114 438 HB2 HIS 51 HB2 HIS 51 49.968 -10.982 3.041 439 HB3 HIS 51 HB1 HIS 51 50.450 -10.328 4.601 440 HD1 HIS 51 HD1 HIS 51 51.751 -12.076 1.617 441 HD2 HIS 51 HD2 HIS 51 53.089 -11.108 5.436 442 HE1 HIS 51 HE1 HIS 51 54.233 -12.440 1.571 443 H GLY 52 HN GLY 52 49.406 -10.893 6.729 444 HA2 GLY 52 HA2 GLY 52 51.638 -11.735 8.250 445 HA3 GLY 52 HA1 GLY 52 50.300 -10.768 8.836 446 H THR 53 HN THR 53 48.335 -12.933 8.166 447 HA THR 53 HA THR 53 48.704 -14.286 10.700 448 HB THR 53 HB THR 53 46.525 -13.206 10.122 449 HG1 THR 53 HG1 THR 53 46.306 -14.670 11.710 450 HG21 THR 53 HG21 THR 53 44.978 -14.413 8.646 451 HG22 THR 53 HG22 THR 53 46.263 -15.544 8.224 452 HG23 THR 53 HG23 THR 53 46.397 -13.847 7.763 453 H THR 54 HN THR 54 49.055 -15.140 7.346 454 HA THR 54 HA THR 54 48.937 -17.961 8.150 455 HB THR 54 HB THR 54 47.359 -17.301 6.332 456 HG1 THR 54 HG1 THR 54 48.280 -19.477 6.580 457 HG21 THR 54 HG21 THR 54 49.894 -16.975 4.722 458 HG22 THR 54 HG22 THR 54 48.772 -15.687 5.159 459 HG23 THR 54 HG23 THR 54 48.257 -16.973 4.067 460 H GLN 55 HN GLN 55 51.104 -15.566 6.784 461 HA GLN 55 HA GLN 55 52.978 -17.481 5.795 462 HB2 GLN 55 HB2 GLN 55 53.361 -14.559 6.443 463 HB3 GLN 55 HB1 GLN 55 54.548 -15.568 5.633 464 HG2 GLN 55 HG2 GLN 55 51.833 -14.768 4.615 465 HG3 GLN 55 HG1 GLN 55 53.402 -14.262 3.996 466 HE21 GLN 55 HE21 GLN 55 54.652 -15.763 2.835 467 HE22 GLN 55 HE22 GLN 55 53.933 -17.150 2.099 468 H HIS 56 HN HIS 56 52.435 -16.018 8.894 469 HA HIS 56 HA HIS 56 54.479 -17.742 10.007 470 HB2 HIS 56 HB2 HIS 56 55.447 -15.901 11.404 471 HB3 HIS 56 HB1 HIS 56 55.796 -15.757 9.688 472 HD1 HIS 56 HD1 HIS 56 54.161 -14.011 12.520 473 HD2 HIS 56 HD2 HIS 56 54.439 -13.605 8.391 474 HE1 HIS 56 HE1 HIS 56 53.359 -11.693 12.022 475 H HIS 57 HN HIS 57 54.162 -18.300 12.129 476 HA HIS 57 HA HIS 57 51.482 -17.666 13.151 477 HB2 HIS 57 HB2 HIS 57 53.304 -20.015 13.729 478 HB3 HIS 57 HB1 HIS 57 51.744 -19.748 14.495 479 HD1 HIS 57 HD1 HIS 57 49.716 -20.572 13.269 480 HD2 HIS 57 HD2 HIS 57 53.137 -20.651 10.926 481 HE1 HIS 57 HE1 HIS 57 49.063 -21.797 11.191 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 57.643 16.747 -10.756 2 H2 ALA 1 HT2 ALA 1 57.278 15.553 -11.892 3 H3 ALA 1 HT3 ALA 1 57.747 17.090 -12.405 4 HA ALA 1 HA ALA 1 59.926 16.793 -11.481 5 HB1 ALA 1 HB1 ALA 1 58.955 14.020 -10.792 6 HB2 ALA 1 HB2 ALA 1 59.286 15.313 -9.639 7 HB3 ALA 1 HB3 ALA 1 60.599 14.624 -10.593 8 H SER 2 HN SER 2 61.618 15.748 -12.686 9 HA SER 2 HA SER 2 60.691 14.859 -15.308 10 HB2 SER 2 HB2 SER 2 63.489 15.595 -14.407 11 HB3 SER 2 HB1 SER 2 62.957 15.330 -16.067 12 HG SER 2 HG SER 2 61.817 17.304 -14.384 13 H MET 3 HN MET 3 63.218 13.970 -12.954 14 HA MET 3 HA MET 3 62.816 11.163 -13.744 15 HB2 MET 3 HB2 MET 3 65.034 12.020 -14.444 16 HB3 MET 3 HB1 MET 3 65.382 12.450 -12.775 17 HG2 MET 3 HG2 MET 3 65.270 10.107 -12.130 18 HG3 MET 3 HG1 MET 3 64.878 9.659 -13.788 19 HE1 MET 3 HE1 MET 3 66.848 7.891 -13.784 20 HE2 MET 3 HE2 MET 3 67.246 8.328 -12.124 21 HE3 MET 3 HE3 MET 3 68.512 8.277 -13.349 22 H GLY 4 HN GLY 4 62.251 9.822 -12.161 23 HA2 GLY 4 HA2 GLY 4 62.271 9.035 -9.915 24 HA3 GLY 4 HA1 GLY 4 62.658 10.668 -9.381 25 H LYS 5 HN LYS 5 60.214 9.863 -11.725 26 HA LYS 5 HA LYS 5 58.226 11.367 -10.323 27 HB2 LYS 5 HB2 LYS 5 57.909 9.528 -12.698 28 HB3 LYS 5 HB1 LYS 5 56.764 10.748 -12.168 29 HG2 LYS 5 HG2 LYS 5 58.381 12.504 -12.695 30 HG3 LYS 5 HG1 LYS 5 59.536 11.279 -13.221 31 HD2 LYS 5 HD2 LYS 5 56.813 11.757 -14.444 32 HD3 LYS 5 HD1 LYS 5 58.345 12.316 -15.116 33 HE2 LYS 5 HE2 LYS 5 59.094 9.991 -15.336 34 HE3 LYS 5 HE1 LYS 5 57.568 9.433 -14.654 35 HZ1 LYS 5 HZ1 LYS 5 57.887 10.939 -17.189 36 HZ2 LYS 5 HZ2 LYS 5 56.417 10.428 -16.537 37 HZ3 LYS 5 HZ3 LYS 5 57.550 9.287 -17.053 38 H SER 6 HN SER 6 55.967 10.309 -10.112 39 HA SER 6 HA SER 6 56.221 8.114 -8.293 40 HB2 SER 6 HB2 SER 6 54.573 9.981 -7.999 41 HB3 SER 6 HB1 SER 6 53.697 9.377 -9.403 42 HG SER 6 HG SER 6 52.998 7.700 -8.281 43 H LYS 7 HN LYS 7 54.843 8.631 -11.509 44 HA LYS 7 HA LYS 7 54.437 7.277 -13.264 45 HB2 LYS 7 HB2 LYS 7 56.707 6.380 -12.776 46 HB3 LYS 7 HB1 LYS 7 55.978 5.158 -11.748 47 HG2 LYS 7 HG2 LYS 7 54.838 4.196 -13.663 48 HG3 LYS 7 HG1 LYS 7 55.488 5.462 -14.707 49 HD2 LYS 7 HD2 LYS 7 57.764 4.696 -14.213 50 HD3 LYS 7 HD1 LYS 7 57.112 3.428 -13.176 51 HE2 LYS 7 HE2 LYS 7 56.578 3.720 -16.131 52 HE3 LYS 7 HE1 LYS 7 57.730 2.597 -15.411 53 HZ1 LYS 7 HZ1 LYS 7 55.907 1.497 -14.280 54 HZ2 LYS 7 HZ2 LYS 7 55.633 1.528 -15.946 55 HZ3 LYS 7 HZ3 LYS 7 54.797 2.593 -14.941 56 H GLU 8 HN GLU 8 54.327 4.859 -10.666 57 HA GLU 8 HA GLU 8 51.446 4.514 -11.181 58 HB2 GLU 8 HB2 GLU 8 53.536 2.363 -10.779 59 HB3 GLU 8 HB1 GLU 8 51.808 2.068 -10.708 60 HG2 GLU 8 HG2 GLU 8 53.299 3.099 -13.105 61 HG3 GLU 8 HG1 GLU 8 52.787 1.433 -12.855 62 H ILE 9 HN ILE 9 50.949 2.630 -9.213 63 HA ILE 9 HA ILE 9 51.294 4.192 -6.810 64 HB ILE 9 HB ILE 9 49.926 1.513 -7.232 65 HG12 ILE 9 HG12 ILE 9 48.754 4.281 -6.855 66 HG13 ILE 9 HG11 ILE 9 48.839 3.416 -8.384 67 HG21 ILE 9 HG21 ILE 9 49.909 3.319 -4.808 68 HG22 ILE 9 HG22 ILE 9 50.702 1.748 -4.930 69 HG23 ILE 9 HG23 ILE 9 48.943 1.856 -5.009 70 HD11 ILE 9 HD11 ILE 9 46.617 3.286 -7.419 71 HD12 ILE 9 HD12 ILE 9 47.281 2.563 -5.954 72 HD13 ILE 9 HD13 ILE 9 47.363 1.689 -7.482 73 H SER 10 HN SER 10 53.372 4.124 -6.203 74 HA SER 10 HA SER 10 55.104 1.927 -6.423 75 HB2 SER 10 HB2 SER 10 56.582 3.251 -4.960 76 HB3 SER 10 HB1 SER 10 55.886 4.236 -6.247 77 HG SER 10 HG SER 10 55.213 5.476 -4.698 78 H GLN 11 HN GLN 11 56.220 0.911 -4.533 79 HA GLN 11 HA GLN 11 54.366 -0.387 -2.837 80 HB2 GLN 11 HB2 GLN 11 57.373 -0.190 -2.560 81 HB3 GLN 11 HB1 GLN 11 56.341 -1.366 -1.764 82 HG2 GLN 11 HG2 GLN 11 55.732 -2.305 -3.939 83 HG3 GLN 11 HG1 GLN 11 56.776 -1.129 -4.733 84 HE21 GLN 11 HE21 GLN 11 58.800 -1.319 -2.619 85 HE22 GLN 11 HE22 GLN 11 59.609 -2.821 -2.879 86 H ASP 12 HN ASP 12 56.353 2.435 -2.601 87 HA ASP 12 HA ASP 12 56.202 2.869 0.184 88 HB2 ASP 12 HB2 ASP 12 56.479 4.907 -2.037 89 HB3 ASP 12 HB1 ASP 12 56.842 5.177 -0.337 90 H LEU 13 HN LEU 13 54.234 3.941 -2.548 91 HA LEU 13 HA LEU 13 52.412 5.432 -0.950 92 HB2 LEU 13 HB2 LEU 13 52.772 5.861 -3.355 93 HB3 LEU 13 HB1 LEU 13 52.057 4.306 -3.731 94 HG LEU 13 HG LEU 13 49.901 5.082 -2.820 95 HD11 LEU 13 HD11 LEU 13 49.587 7.457 -2.304 96 HD12 LEU 13 HD12 LEU 13 51.321 7.721 -2.481 97 HD13 LEU 13 HD13 LEU 13 50.714 6.688 -1.188 98 HD21 LEU 13 HD21 LEU 13 50.371 5.329 -5.202 99 HD22 LEU 13 HD22 LEU 13 51.090 6.910 -4.904 100 HD23 LEU 13 HD23 LEU 13 49.370 6.655 -4.614 101 H ARG 14 HN ARG 14 52.573 2.124 -2.083 102 HA ARG 14 HA ARG 14 49.956 1.311 -1.493 103 HB2 ARG 14 HB2 ARG 14 51.534 -0.055 -2.792 104 HB3 ARG 14 HB1 ARG 14 52.516 -0.299 -1.356 105 HG2 ARG 14 HG2 ARG 14 50.730 -1.557 -0.308 106 HG3 ARG 14 HG1 ARG 14 49.672 -1.244 -1.685 107 HD2 ARG 14 HD2 ARG 14 51.203 -2.470 -3.144 108 HD3 ARG 14 HD1 ARG 14 52.278 -2.766 -1.781 109 HE ARG 14 HE ARG 14 50.034 -3.853 -0.877 110 HH11 ARG 14 HH11 ARG 14 51.576 -4.163 -4.008 111 HH12 ARG 14 HH12 ARG 14 50.949 -5.743 -4.313 112 HH21 ARG 14 HH21 ARG 14 49.222 -5.971 -1.267 113 HH22 ARG 14 HH22 ARG 14 49.611 -6.776 -2.748 114 H LYS 15 HN LYS 15 52.852 1.462 0.536 115 HA LYS 15 HA LYS 15 51.682 0.305 2.843 116 HB2 LYS 15 HB2 LYS 15 54.019 2.197 2.606 117 HB3 LYS 15 HB1 LYS 15 53.589 1.313 4.061 118 HG2 LYS 15 HG2 LYS 15 53.963 -0.801 2.855 119 HG3 LYS 15 HG1 LYS 15 54.463 0.124 1.437 120 HD2 LYS 15 HD2 LYS 15 55.792 0.176 4.148 121 HD3 LYS 15 HD1 LYS 15 56.397 -0.657 2.715 122 HE2 LYS 15 HE2 LYS 15 56.573 1.494 1.554 123 HE3 LYS 15 HE1 LYS 15 55.983 2.322 2.993 124 HZ1 LYS 15 HZ1 LYS 15 58.496 0.764 2.774 125 HZ2 LYS 15 HZ2 LYS 15 57.920 1.484 4.193 126 HZ3 LYS 15 HZ3 LYS 15 58.364 2.447 2.877 127 H LYS 16 HN LYS 16 51.513 3.456 1.458 128 HA LYS 16 HA LYS 16 50.852 4.918 3.788 129 HB2 LYS 16 HB2 LYS 16 51.587 5.901 1.574 130 HB3 LYS 16 HB1 LYS 16 49.997 5.519 0.943 131 HG2 LYS 16 HG2 LYS 16 50.245 7.219 3.389 132 HG3 LYS 16 HG1 LYS 16 50.541 7.920 1.798 133 HD2 LYS 16 HD2 LYS 16 48.315 7.294 1.071 134 HD3 LYS 16 HD1 LYS 16 48.023 6.454 2.596 135 HE2 LYS 16 HE2 LYS 16 46.951 8.660 2.558 136 HE3 LYS 16 HE1 LYS 16 48.190 8.555 3.806 137 HZ1 LYS 16 HZ1 LYS 16 48.557 9.823 1.146 138 HZ2 LYS 16 HZ2 LYS 16 49.702 9.767 2.391 139 HZ3 LYS 16 HZ3 LYS 16 48.278 10.644 2.594 140 H ILE 17 HN ILE 17 48.929 3.267 1.336 141 HA ILE 17 HA ILE 17 46.408 3.905 2.414 142 HB ILE 17 HB ILE 17 47.378 1.734 0.563 143 HG12 ILE 17 HG12 ILE 17 45.730 2.848 -0.988 144 HG13 ILE 17 HG11 ILE 17 45.467 4.059 0.258 145 HG21 ILE 17 HG21 ILE 17 44.565 1.960 1.606 146 HG22 ILE 17 HG22 ILE 17 45.693 0.633 1.887 147 HG23 ILE 17 HG23 ILE 17 45.079 0.940 0.262 148 HD11 ILE 17 HD11 ILE 17 47.819 4.704 0.112 149 HD12 ILE 17 HD12 ILE 17 46.995 4.858 -1.440 150 HD13 ILE 17 HD13 ILE 17 48.069 3.491 -1.143 151 H VAL 18 HN VAL 18 48.527 1.111 2.863 152 HA VAL 18 HA VAL 18 46.886 -0.412 4.533 153 HB VAL 18 HB VAL 18 49.909 -0.288 4.454 154 HG11 VAL 18 HG11 VAL 18 49.149 -1.320 6.521 155 HG12 VAL 18 HG12 VAL 18 49.854 -2.529 5.447 156 HG13 VAL 18 HG13 VAL 18 48.102 -2.409 5.611 157 HG21 VAL 18 HG21 VAL 18 48.924 -0.854 2.301 158 HG22 VAL 18 HG22 VAL 18 47.961 -2.123 3.058 159 HG23 VAL 18 HG23 VAL 18 49.718 -2.262 3.007 160 H ASP 19 HN ASP 19 49.545 1.773 5.473 161 HA ASP 19 HA ASP 19 49.191 1.412 8.247 162 HB2 ASP 19 HB2 ASP 19 51.298 2.199 7.289 163 HB3 ASP 19 HB1 ASP 19 50.521 3.700 6.796 164 H LEU 20 HN LEU 20 47.995 3.941 6.056 165 HA LEU 20 HA LEU 20 46.887 5.470 8.173 166 HB2 LEU 20 HB2 LEU 20 46.623 5.570 5.203 167 HB3 LEU 20 HB1 LEU 20 45.508 6.489 6.193 168 HG LEU 20 HG LEU 20 47.335 7.902 5.429 169 HD11 LEU 20 HD11 LEU 20 48.108 8.777 7.576 170 HD12 LEU 20 HD12 LEU 20 47.483 7.338 8.377 171 HD13 LEU 20 HD13 LEU 20 46.380 8.444 7.562 172 HD21 LEU 20 HD21 LEU 20 49.635 7.548 6.168 173 HD22 LEU 20 HD22 LEU 20 49.072 6.209 5.165 174 HD23 LEU 20 HD23 LEU 20 49.164 6.022 6.916 175 H HIS 21 HN HIS 21 45.732 2.702 6.452 176 HA HIS 21 HA HIS 21 42.976 2.966 7.067 177 HB2 HIS 21 HB2 HIS 21 44.752 0.681 6.361 178 HB3 HIS 21 HB1 HIS 21 43.280 0.292 7.228 179 HD1 HIS 21 HD1 HIS 21 41.025 1.456 6.051 180 HD2 HIS 21 HD2 HIS 21 44.350 0.722 3.674 181 HE1 HIS 21 HE1 HIS 21 40.174 1.447 3.696 182 H LYS 22 HN LYS 22 45.759 1.962 8.854 183 HA LYS 22 HA LYS 22 44.275 0.931 11.088 184 HB2 LYS 22 HB2 LYS 22 47.207 1.637 10.920 185 HB3 LYS 22 HB1 LYS 22 46.442 0.576 12.096 186 HG2 LYS 22 HG2 LYS 22 46.112 -0.132 9.239 187 HG3 LYS 22 HG1 LYS 22 47.719 -0.327 9.929 188 HD2 LYS 22 HD2 LYS 22 46.254 -2.357 9.995 189 HD3 LYS 22 HD1 LYS 22 46.923 -1.877 11.555 190 HE2 LYS 22 HE2 LYS 22 44.616 -2.518 11.844 191 HE3 LYS 22 HE1 LYS 22 44.749 -0.778 12.068 192 HZ1 LYS 22 HZ1 LYS 22 43.923 -0.478 9.802 193 HZ2 LYS 22 HZ2 LYS 22 42.827 -1.347 10.740 194 HZ3 LYS 22 HZ3 LYS 22 43.794 -2.155 9.618 195 H SER 23 HN SER 23 45.285 3.979 10.006 196 HA SER 23 HA SER 23 45.383 5.257 12.575 197 HB2 SER 23 HB2 SER 23 45.083 6.489 9.823 198 HB3 SER 23 HB1 SER 23 45.576 7.321 11.299 199 HG SER 23 HG SER 23 47.275 5.480 11.233 200 H GLY 24 HN GLY 24 43.035 4.950 9.934 201 HA2 GLY 24 HA2 GLY 24 40.730 4.662 10.266 202 HA3 GLY 24 HA1 GLY 24 40.904 5.300 11.889 203 H SER 25 HN SER 25 41.522 7.699 11.933 204 HA SER 25 HA SER 25 39.366 9.077 10.750 205 HB2 SER 25 HB2 SER 25 40.319 9.731 12.914 206 HB3 SER 25 HB1 SER 25 41.821 10.199 12.124 207 HG SER 25 HG SER 25 39.377 11.326 11.303 208 H SER 26 HN SER 26 42.593 8.540 9.650 209 HA SER 26 HA SER 26 42.605 10.764 7.828 210 HB2 SER 26 HB2 SER 26 44.470 8.405 8.002 211 HB3 SER 26 HB1 SER 26 44.764 9.907 7.119 212 HG SER 26 HG SER 26 44.945 11.000 9.003 213 H LEU 27 HN LEU 27 40.833 8.047 7.715 214 HA LEU 27 HA LEU 27 41.347 7.033 5.117 215 HB2 LEU 27 HB2 LEU 27 40.093 5.792 6.845 216 HB3 LEU 27 HB1 LEU 27 38.782 6.946 6.708 217 HG LEU 27 HG LEU 27 38.418 6.233 4.368 218 HD11 LEU 27 HD11 LEU 27 39.499 4.188 3.559 219 HD12 LEU 27 HD12 LEU 27 40.527 4.172 4.991 220 HD13 LEU 27 HD13 LEU 27 40.661 5.488 3.825 221 HD21 LEU 27 HD21 LEU 27 38.372 4.004 6.400 222 HD22 LEU 27 HD22 LEU 27 37.453 4.046 4.896 223 HD23 LEU 27 HD23 LEU 27 37.123 5.225 6.165 224 H GLY 28 HN GLY 28 39.481 9.723 6.310 225 HA2 GLY 28 HA2 GLY 28 37.959 10.169 3.946 226 HA3 GLY 28 HA1 GLY 28 38.233 11.335 5.232 227 H ALA 29 HN ALA 29 41.171 11.030 4.947 228 HA ALA 29 HA ALA 29 41.569 13.064 2.996 229 HB1 ALA 29 HB1 ALA 29 43.940 12.873 3.574 230 HB2 ALA 29 HB2 ALA 29 43.606 11.396 4.479 231 HB3 ALA 29 HB3 ALA 29 42.941 12.935 5.026 232 H ILE 30 HN ILE 30 42.209 9.609 3.177 233 HA ILE 30 HA ILE 30 43.596 9.357 0.733 234 HB ILE 30 HB ILE 30 41.890 7.264 2.111 235 HG12 ILE 30 HG12 ILE 30 44.849 7.837 2.411 236 HG13 ILE 30 HG11 ILE 30 43.615 8.225 3.605 237 HG21 ILE 30 HG21 ILE 30 43.322 5.647 0.942 238 HG22 ILE 30 HG22 ILE 30 44.156 6.974 0.135 239 HG23 ILE 30 HG23 ILE 30 42.450 6.679 -0.192 240 HD11 ILE 30 HD11 ILE 30 43.130 5.851 3.877 241 HD12 ILE 30 HD12 ILE 30 44.828 6.203 4.194 242 HD13 ILE 30 HD13 ILE 30 44.353 5.461 2.668 243 H SER 31 HN SER 31 40.168 9.147 1.562 244 HA SER 31 HA SER 31 39.354 8.326 -1.031 245 HB2 SER 31 HB2 SER 31 37.044 9.040 -0.113 246 HB3 SER 31 HB1 SER 31 37.879 7.698 0.667 247 HG SER 31 HG SER 31 38.230 8.888 2.401 248 H LYS 32 HN LYS 32 39.763 11.439 0.502 249 HA LYS 32 HA LYS 32 38.368 12.848 -1.580 250 HB2 LYS 32 HB2 LYS 32 38.530 13.628 0.816 251 HB3 LYS 32 HB1 LYS 32 40.223 13.983 0.530 252 HG2 LYS 32 HG2 LYS 32 38.049 15.238 -1.127 253 HG3 LYS 32 HG1 LYS 32 38.546 15.915 0.421 254 HD2 LYS 32 HD2 LYS 32 40.829 16.168 -0.408 255 HD3 LYS 32 HD1 LYS 32 40.367 15.428 -1.941 256 HE2 LYS 32 HE2 LYS 32 40.437 17.823 -2.202 257 HE3 LYS 32 HE1 LYS 32 38.766 17.277 -2.305 258 HZ1 LYS 32 HZ1 LYS 32 40.041 18.480 0.091 259 HZ2 LYS 32 HZ2 LYS 32 38.431 17.974 -0.014 260 HZ3 LYS 32 HZ3 LYS 32 38.973 19.264 -0.956 261 H ARG 33 HN ARG 33 41.776 12.412 -0.660 262 HA ARG 33 HA ARG 33 42.677 14.021 -2.876 263 HB2 ARG 33 HB2 ARG 33 44.288 12.364 -0.940 264 HB3 ARG 33 HB1 ARG 33 44.922 13.573 -2.047 265 HG2 ARG 33 HG2 ARG 33 43.628 15.299 -0.871 266 HG3 ARG 33 HG1 ARG 33 43.057 14.072 0.261 267 HD2 ARG 33 HD2 ARG 33 45.410 13.609 0.875 268 HD3 ARG 33 HD1 ARG 33 45.909 14.930 -0.182 269 HE ARG 33 HE ARG 33 44.044 15.436 2.026 270 HH11 ARG 33 HH11 ARG 33 47.162 15.992 0.506 271 HH12 ARG 33 HH12 ARG 33 47.567 17.316 1.542 272 HH21 ARG 33 HH21 ARG 33 44.602 17.184 3.406 273 HH22 ARG 33 HH22 ARG 33 46.117 17.989 3.199 274 H LEU 34 HN LEU 34 42.927 10.571 -2.017 275 HA LEU 34 HA LEU 34 44.111 10.051 -4.636 276 HB2 LEU 34 HB2 LEU 34 45.141 9.086 -2.601 277 HB3 LEU 34 HB1 LEU 34 43.674 8.178 -2.309 278 HG LEU 34 HG LEU 34 44.044 6.975 -4.460 279 HD11 LEU 34 HD11 LEU 34 46.683 8.433 -4.426 280 HD12 LEU 34 HD12 LEU 34 45.392 8.629 -5.613 281 HD13 LEU 34 HD13 LEU 34 46.262 7.099 -5.499 282 HD21 LEU 34 HD21 LEU 34 44.733 5.992 -2.345 283 HD22 LEU 34 HD22 LEU 34 46.286 6.819 -2.450 284 HD23 LEU 34 HD23 LEU 34 45.869 5.572 -3.626 285 H LYS 35 HN LYS 35 41.087 10.120 -3.245 286 HA LYS 35 HA LYS 35 39.012 9.590 -3.990 287 HB2 LYS 35 HB2 LYS 35 40.310 8.368 -6.438 288 HB3 LYS 35 HB1 LYS 35 38.628 8.839 -6.267 289 HG2 LYS 35 HG2 LYS 35 41.006 10.692 -6.313 290 HG3 LYS 35 HG1 LYS 35 39.839 10.451 -7.612 291 HD2 LYS 35 HD2 LYS 35 38.060 11.330 -6.168 292 HD3 LYS 35 HD1 LYS 35 39.233 11.565 -4.871 293 HE2 LYS 35 HE2 LYS 35 40.478 13.135 -6.280 294 HE3 LYS 35 HE1 LYS 35 39.308 12.897 -7.577 295 HZ1 LYS 35 HZ1 LYS 35 38.671 13.996 -4.894 296 HZ2 LYS 35 HZ2 LYS 35 37.597 13.832 -6.185 297 HZ3 LYS 35 HZ3 LYS 35 38.884 14.918 -6.297 298 H VAL 36 HN VAL 36 41.347 7.439 -3.244 299 HA VAL 36 HA VAL 36 41.559 5.250 -2.780 300 HB VAL 36 HB VAL 36 40.437 6.138 -0.775 301 HG11 VAL 36 HG11 VAL 36 38.281 6.764 -1.710 302 HG12 VAL 36 HG12 VAL 36 38.091 5.700 -0.315 303 HG13 VAL 36 HG13 VAL 36 37.882 5.062 -1.945 304 HG21 VAL 36 HG21 VAL 36 39.736 3.289 -1.456 305 HG22 VAL 36 HG22 VAL 36 39.728 3.973 0.169 306 HG23 VAL 36 HG23 VAL 36 41.237 3.871 -0.736 307 HA PRO 37 HA PRO 37 39.476 3.139 -6.216 308 HB2 PRO 37 HB2 PRO 37 41.819 1.371 -5.832 309 HB3 PRO 37 HB1 PRO 37 41.249 2.160 -7.307 310 HG2 PRO 37 HG2 PRO 37 43.460 2.999 -6.061 311 HG3 PRO 37 HG1 PRO 37 42.343 4.145 -6.824 312 HD2 PRO 37 HD2 PRO 37 42.653 3.445 -3.928 313 HD3 PRO 37 HD1 PRO 37 42.402 5.034 -4.685 314 H ARG 38 HN ARG 38 37.790 2.389 -4.961 315 HA ARG 38 HA ARG 38 37.869 0.910 -2.650 316 HB2 ARG 38 HB2 ARG 38 35.891 2.062 -3.565 317 HB3 ARG 38 HB1 ARG 38 35.718 0.781 -4.752 318 HG2 ARG 38 HG2 ARG 38 35.287 -0.832 -3.011 319 HG3 ARG 38 HG1 ARG 38 35.588 0.386 -1.770 320 HD2 ARG 38 HD2 ARG 38 33.375 0.443 -3.821 321 HD3 ARG 38 HD1 ARG 38 33.193 0.055 -2.112 322 HE ARG 38 HE ARG 38 34.362 2.647 -2.648 323 HH11 ARG 38 HH11 ARG 38 31.399 0.862 -2.056 324 HH12 ARG 38 HH12 ARG 38 30.502 2.258 -1.575 325 HH21 ARG 38 HH21 ARG 38 33.179 4.498 -2.016 326 HH22 ARG 38 HH22 ARG 38 31.520 4.338 -1.552 327 H SER 39 HN SER 39 37.468 -0.440 -5.925 328 HA SER 39 HA SER 39 37.231 -3.112 -5.072 329 HB2 SER 39 HB2 SER 39 38.252 -2.171 -7.753 330 HB3 SER 39 HB1 SER 39 37.452 -3.698 -7.383 331 HG SER 39 HG SER 39 36.332 -1.440 -8.137 332 H SER 40 HN SER 40 40.028 -1.213 -6.077 333 HA SER 40 HA SER 40 41.821 -3.428 -6.022 334 HB2 SER 40 HB2 SER 40 42.431 -0.470 -6.033 335 HB3 SER 40 HB1 SER 40 43.547 -1.770 -6.450 336 HG SER 40 HG SER 40 41.613 -2.283 -7.983 337 H VAL 41 HN VAL 41 41.053 -0.793 -3.784 338 HA VAL 41 HA VAL 41 43.061 -1.411 -1.893 339 HB VAL 41 HB VAL 41 40.450 0.094 -1.579 340 HG11 VAL 41 HG11 VAL 41 41.100 -0.823 0.588 341 HG12 VAL 41 HG12 VAL 41 41.338 0.924 0.553 342 HG13 VAL 41 HG13 VAL 41 42.722 -0.157 0.395 343 HG21 VAL 41 HG21 VAL 41 42.084 1.155 -3.040 344 HG22 VAL 41 HG22 VAL 41 43.313 1.024 -1.782 345 HG23 VAL 41 HG23 VAL 41 41.911 2.063 -1.540 346 H GLN 42 HN GLN 42 39.729 -2.508 -2.294 347 HA GLN 42 HA GLN 42 39.442 -3.876 0.139 348 HB2 GLN 42 HB2 GLN 42 37.737 -3.397 -1.813 349 HB3 GLN 42 HB1 GLN 42 38.273 -4.954 -2.417 350 HG2 GLN 42 HG2 GLN 42 37.183 -4.564 0.361 351 HG3 GLN 42 HG1 GLN 42 36.167 -4.935 -1.024 352 HE21 GLN 42 HE21 GLN 42 38.075 -6.732 -2.260 353 HE22 GLN 42 HE22 GLN 42 38.098 -8.162 -1.295 354 H THR 43 HN THR 43 40.879 -4.839 -2.929 355 HA THR 43 HA THR 43 41.406 -7.526 -2.207 356 HB THR 43 HB THR 43 42.893 -5.837 -4.238 357 HG1 THR 43 HG1 THR 43 40.918 -5.765 -5.083 358 HG21 THR 43 HG21 THR 43 43.964 -7.989 -3.708 359 HG22 THR 43 HG22 THR 43 43.305 -7.990 -5.344 360 HG23 THR 43 HG23 THR 43 42.449 -8.825 -4.049 361 H ILE 44 HN ILE 44 43.098 -4.499 -1.728 362 HA ILE 44 HA ILE 44 45.589 -5.646 -0.921 363 HB ILE 44 HB ILE 44 44.475 -2.867 -0.470 364 HG12 ILE 44 HG12 ILE 44 44.814 -3.382 -2.828 365 HG13 ILE 44 HG11 ILE 44 46.012 -2.213 -2.284 366 HG21 ILE 44 HG21 ILE 44 46.149 -3.358 1.214 367 HG22 ILE 44 HG22 ILE 44 46.784 -2.198 0.047 368 HG23 ILE 44 HG23 ILE 44 47.280 -3.889 -0.032 369 HD11 ILE 44 HD11 ILE 44 46.449 -5.158 -2.738 370 HD12 ILE 44 HD12 ILE 44 47.653 -4.049 -2.087 371 HD13 ILE 44 HD13 ILE 44 47.051 -3.829 -3.729 372 H VAL 45 HN VAL 45 42.849 -4.193 0.849 373 HA VAL 45 HA VAL 45 43.943 -4.584 3.406 374 HB VAL 45 HB VAL 45 41.652 -4.309 4.305 375 HG11 VAL 45 HG11 VAL 45 41.241 -2.056 3.418 376 HG12 VAL 45 HG12 VAL 45 42.387 -2.378 2.117 377 HG13 VAL 45 HG13 VAL 45 42.941 -2.339 3.790 378 HG21 VAL 45 HG21 VAL 45 40.364 -5.508 2.662 379 HG22 VAL 45 HG22 VAL 45 40.833 -4.354 1.415 380 HG23 VAL 45 HG23 VAL 45 39.795 -3.837 2.746 381 H ARG 46 HN ARG 46 41.997 -6.696 1.386 382 HA ARG 46 HA ARG 46 41.642 -8.715 3.352 383 HB2 ARG 46 HB2 ARG 46 41.419 -8.673 0.357 384 HB3 ARG 46 HB1 ARG 46 41.231 -10.165 1.264 385 HG2 ARG 46 HG2 ARG 46 39.583 -7.692 1.721 386 HG3 ARG 46 HG1 ARG 46 39.099 -9.037 0.687 387 HD2 ARG 46 HD2 ARG 46 39.343 -10.544 2.643 388 HD3 ARG 46 HD1 ARG 46 39.648 -9.128 3.646 389 HE ARG 46 HE ARG 46 37.321 -8.467 2.586 390 HH11 ARG 46 HH11 ARG 46 38.382 -11.523 3.958 391 HH12 ARG 46 HH12 ARG 46 36.795 -12.007 4.449 392 HH21 ARG 46 HH21 ARG 46 35.200 -9.110 3.251 393 HH22 ARG 46 HH22 ARG 46 34.980 -10.632 4.043 394 H LYS 47 HN LYS 47 44.307 -7.784 1.434 395 HA LYS 47 HA LYS 47 45.486 -10.427 1.481 396 HB2 LYS 47 HB2 LYS 47 45.660 -8.923 -0.516 397 HB3 LYS 47 HB1 LYS 47 46.718 -7.889 0.434 398 HG2 LYS 47 HG2 LYS 47 48.331 -9.656 0.656 399 HG3 LYS 47 HG1 LYS 47 47.252 -10.791 -0.147 400 HD2 LYS 47 HD2 LYS 47 47.333 -9.291 -2.159 401 HD3 LYS 47 HD1 LYS 47 48.601 -8.377 -1.338 402 HE2 LYS 47 HE2 LYS 47 49.576 -10.001 -2.863 403 HE3 LYS 47 HE1 LYS 47 49.962 -10.410 -1.193 404 HZ1 LYS 47 HZ1 LYS 47 47.820 -11.665 -2.826 405 HZ2 LYS 47 HZ2 LYS 47 48.190 -12.062 -1.230 406 HZ3 LYS 47 HZ3 LYS 47 49.313 -12.362 -2.450 407 H TYR 48 HN TYR 48 46.428 -7.162 2.672 408 HA TYR 48 HA TYR 48 48.670 -8.254 4.029 409 HB2 TYR 48 HB2 TYR 48 49.152 -6.098 4.887 410 HB3 TYR 48 HB1 TYR 48 48.516 -5.855 3.272 411 HD1 TYR 48 HD1 TYR 48 47.741 -5.557 6.880 412 HD2 TYR 48 HD2 TYR 48 46.567 -4.525 2.926 413 HE1 TYR 48 HE1 TYR 48 46.179 -3.893 7.787 414 HE2 TYR 48 HE2 TYR 48 44.996 -2.859 3.825 415 HH TYR 48 HH TYR 48 45.089 -1.810 7.016 416 H LYS 49 HN LYS 49 45.367 -7.858 4.959 417 HA LYS 49 HA LYS 49 45.886 -8.223 7.756 418 HB2 LYS 49 HB2 LYS 49 43.357 -8.446 6.126 419 HB3 LYS 49 HB1 LYS 49 43.411 -8.684 7.866 420 HG2 LYS 49 HG2 LYS 49 44.191 -6.401 8.171 421 HG3 LYS 49 HG1 LYS 49 44.191 -6.160 6.424 422 HD2 LYS 49 HD2 LYS 49 42.185 -5.211 7.470 423 HD3 LYS 49 HD1 LYS 49 41.782 -6.517 6.357 424 HE2 LYS 49 HE2 LYS 49 41.459 -8.048 8.173 425 HE3 LYS 49 HE1 LYS 49 42.069 -6.874 9.334 426 HZ1 LYS 49 HZ1 LYS 49 40.163 -5.462 8.808 427 HZ2 LYS 49 HZ2 LYS 49 39.683 -6.963 9.403 428 HZ3 LYS 49 HZ3 LYS 49 39.574 -6.640 7.748 429 H HIS 50 HN HIS 50 44.992 -10.270 5.046 430 HA HIS 50 HA HIS 50 44.642 -12.640 6.581 431 HB2 HIS 50 HB2 HIS 50 43.639 -12.295 4.346 432 HB3 HIS 50 HB1 HIS 50 45.245 -12.323 3.633 433 HD1 HIS 50 HD1 HIS 50 45.702 -14.474 2.555 434 HD2 HIS 50 HD2 HIS 50 43.275 -14.925 5.899 435 HE1 HIS 50 HE1 HIS 50 45.201 -16.926 2.691 436 H HIS 51 HN HIS 51 47.330 -11.234 4.786 437 HA HIS 51 HA HIS 51 49.082 -13.455 5.276 438 HB2 HIS 51 HB2 HIS 51 49.382 -12.056 3.290 439 HB3 HIS 51 HB1 HIS 51 49.663 -10.645 4.302 440 HD1 HIS 51 HD1 HIS 51 52.059 -10.070 4.393 441 HD2 HIS 51 HD2 HIS 51 51.487 -14.173 4.055 442 HE1 HIS 51 HE1 HIS 51 54.361 -11.067 4.345 443 H GLY 52 HN GLY 52 48.487 -10.317 6.753 444 HA2 GLY 52 HA2 GLY 52 50.772 -10.341 8.449 445 HA3 GLY 52 HA1 GLY 52 49.377 -9.288 8.596 446 H THR 53 HN THR 53 47.761 -11.972 8.685 447 HA THR 53 HA THR 53 47.991 -12.185 11.577 448 HB THR 53 HB THR 53 45.871 -13.613 11.293 449 HG1 THR 53 HG1 THR 53 45.525 -12.231 8.869 450 HG21 THR 53 HG21 THR 53 44.461 -11.603 11.132 451 HG22 THR 53 HG22 THR 53 45.842 -10.689 10.527 452 HG23 THR 53 HG23 THR 53 45.859 -11.328 12.171 453 H THR 54 HN THR 54 49.447 -13.629 9.114 454 HA THR 54 HA THR 54 49.708 -16.153 10.595 455 HB THR 54 HB THR 54 49.827 -15.937 7.573 456 HG1 THR 54 HG1 THR 54 47.707 -16.565 9.354 457 HG21 THR 54 HG21 THR 54 51.110 -17.797 8.538 458 HG22 THR 54 HG22 THR 54 49.692 -18.390 7.670 459 HG23 THR 54 HG23 THR 54 49.681 -18.319 9.431 460 H GLN 55 HN GLN 55 51.182 -13.765 8.456 461 HA GLN 55 HA GLN 55 53.839 -14.612 9.399 462 HB2 GLN 55 HB2 GLN 55 53.068 -13.564 6.665 463 HB3 GLN 55 HB1 GLN 55 54.721 -13.813 7.205 464 HG2 GLN 55 HG2 GLN 55 52.637 -15.969 6.956 465 HG3 GLN 55 HG1 GLN 55 53.896 -15.627 5.772 466 HE21 GLN 55 HE21 GLN 55 53.372 -18.038 7.310 467 HE22 GLN 55 HE22 GLN 55 54.820 -18.372 8.198 468 H HIS 56 HN HIS 56 55.359 -12.562 8.525 469 HA HIS 56 HA HIS 56 54.512 -10.384 10.216 470 HB2 HIS 56 HB2 HIS 56 56.703 -9.463 9.918 471 HB3 HIS 56 HB1 HIS 56 56.902 -11.200 10.089 472 HD1 HIS 56 HD1 HIS 56 57.257 -8.401 7.594 473 HD2 HIS 56 HD2 HIS 56 57.904 -12.509 7.804 474 HE1 HIS 56 HE1 HIS 56 58.621 -8.974 5.572 475 H HIS 57 HN HIS 57 54.794 -8.099 9.416 476 HA HIS 57 HA HIS 57 53.983 -7.850 6.617 477 HB2 HIS 57 HB2 HIS 57 52.541 -5.896 7.278 478 HB3 HIS 57 HB1 HIS 57 51.969 -7.442 7.878 479 HD1 HIS 57 HD1 HIS 57 52.184 -7.839 10.487 480 HD2 HIS 57 HD2 HIS 57 53.142 -3.999 9.216 481 HE1 HIS 57 HE1 HIS 57 52.153 -6.428 12.548 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 32.554 -5.628 -10.586 2 H2 ALA 1 HT2 ALA 1 31.827 -6.417 -9.284 3 H3 ALA 1 HT3 ALA 1 33.173 -7.102 -10.038 4 HA ALA 1 HA ALA 1 33.143 -4.558 -8.537 5 HB1 ALA 1 HB1 ALA 1 32.855 -6.528 -7.102 6 HB2 ALA 1 HB2 ALA 1 34.401 -5.726 -6.830 7 HB3 ALA 1 HB3 ALA 1 34.335 -7.217 -7.768 8 H SER 2 HN SER 2 34.365 -5.909 -11.212 9 HA SER 2 HA SER 2 36.228 -5.824 -12.441 10 HB2 SER 2 HB2 SER 2 37.529 -3.679 -12.360 11 HB3 SER 2 HB1 SER 2 35.792 -3.461 -12.521 12 HG SER 2 HG SER 2 36.351 -3.506 -9.934 13 H MET 3 HN MET 3 37.364 -7.580 -11.852 14 HA MET 3 HA MET 3 39.002 -7.730 -9.532 15 HB2 MET 3 HB2 MET 3 39.840 -9.812 -10.465 16 HB3 MET 3 HB1 MET 3 38.096 -9.725 -10.659 17 HG2 MET 3 HG2 MET 3 38.355 -9.128 -12.994 18 HG3 MET 3 HG1 MET 3 40.108 -9.111 -12.815 19 HE1 MET 3 HE1 MET 3 36.865 -11.299 -12.871 20 HE2 MET 3 HE2 MET 3 37.514 -11.677 -11.276 21 HE3 MET 3 HE3 MET 3 37.497 -12.910 -12.537 22 H GLY 4 HN GLY 4 39.443 -6.306 -12.593 23 HA2 GLY 4 HA2 GLY 4 41.181 -5.087 -13.448 24 HA3 GLY 4 HA1 GLY 4 41.996 -5.273 -11.902 25 H LYS 5 HN LYS 5 43.939 -6.014 -12.271 26 HA LYS 5 HA LYS 5 44.505 -8.589 -13.169 27 HB2 LYS 5 HB2 LYS 5 43.904 -7.750 -15.397 28 HB3 LYS 5 HB1 LYS 5 45.042 -6.425 -15.220 29 HG2 LYS 5 HG2 LYS 5 46.895 -7.984 -15.216 30 HG3 LYS 5 HG1 LYS 5 45.772 -9.343 -15.309 31 HD2 LYS 5 HD2 LYS 5 44.962 -8.527 -17.465 32 HD3 LYS 5 HD1 LYS 5 46.078 -7.163 -17.371 33 HE2 LYS 5 HE2 LYS 5 47.968 -8.682 -17.389 34 HE3 LYS 5 HE1 LYS 5 46.878 -10.067 -17.404 35 HZ1 LYS 5 HZ1 LYS 5 47.087 -8.016 -19.536 36 HZ2 LYS 5 HZ2 LYS 5 46.049 -9.350 -19.548 37 HZ3 LYS 5 HZ3 LYS 5 47.714 -9.583 -19.603 38 H SER 6 HN SER 6 45.796 -5.308 -13.398 39 HA SER 6 HA SER 6 47.700 -5.716 -11.321 40 HB2 SER 6 HB2 SER 6 48.769 -6.825 -13.366 41 HB3 SER 6 HB1 SER 6 48.830 -5.219 -14.090 42 HG SER 6 HG SER 6 50.158 -6.191 -11.797 43 H LYS 7 HN LYS 7 46.992 -3.855 -10.362 44 HA LYS 7 HA LYS 7 47.316 -1.382 -11.893 45 HB2 LYS 7 HB2 LYS 7 45.189 -0.526 -10.901 46 HB3 LYS 7 HB1 LYS 7 44.979 -1.814 -12.076 47 HG2 LYS 7 HG2 LYS 7 44.720 -3.424 -10.231 48 HG3 LYS 7 HG1 LYS 7 44.858 -2.092 -9.081 49 HD2 LYS 7 HD2 LYS 7 42.872 -1.055 -10.012 50 HD3 LYS 7 HD1 LYS 7 42.762 -2.323 -11.233 51 HE2 LYS 7 HE2 LYS 7 42.446 -3.987 -9.460 52 HE3 LYS 7 HE1 LYS 7 42.533 -2.707 -8.250 53 HZ1 LYS 7 HZ1 LYS 7 40.244 -3.296 -8.765 54 HZ2 LYS 7 HZ2 LYS 7 40.498 -2.913 -10.396 55 HZ3 LYS 7 HZ3 LYS 7 40.582 -1.703 -9.224 56 H GLU 8 HN GLU 8 48.068 0.310 -10.801 57 HA GLU 8 HA GLU 8 49.016 1.558 -9.179 58 HB2 GLU 8 HB2 GLU 8 46.648 0.975 -8.153 59 HB3 GLU 8 HB1 GLU 8 47.581 0.015 -7.027 60 HG2 GLU 8 HG2 GLU 8 47.771 2.983 -7.477 61 HG3 GLU 8 HG1 GLU 8 47.105 2.158 -6.070 62 H ILE 9 HN ILE 9 48.742 -1.107 -6.929 63 HA ILE 9 HA ILE 9 50.261 -2.319 -5.775 64 HB ILE 9 HB ILE 9 51.728 -2.719 -8.381 65 HG12 ILE 9 HG12 ILE 9 49.182 -4.095 -7.494 66 HG13 ILE 9 HG11 ILE 9 49.276 -2.885 -8.767 67 HG21 ILE 9 HG21 ILE 9 52.679 -3.757 -6.366 68 HG22 ILE 9 HG22 ILE 9 52.070 -4.979 -7.484 69 HG23 ILE 9 HG23 ILE 9 51.139 -4.557 -6.047 70 HD11 ILE 9 HD11 ILE 9 50.737 -4.370 -10.048 71 HD12 ILE 9 HD12 ILE 9 49.176 -5.109 -9.698 72 HD13 ILE 9 HD13 ILE 9 50.602 -5.582 -8.775 73 H SER 10 HN SER 10 50.900 0.291 -5.353 74 HA SER 10 HA SER 10 53.815 0.365 -5.618 75 HB2 SER 10 HB2 SER 10 51.896 2.490 -4.635 76 HB3 SER 10 HB1 SER 10 53.639 2.692 -4.804 77 HG SER 10 HG SER 10 51.636 2.548 -6.729 78 H GLN 11 HN GLN 11 55.076 -0.163 -3.999 79 HA GLN 11 HA GLN 11 54.171 -1.423 -1.691 80 HB2 GLN 11 HB2 GLN 11 56.848 -0.170 -2.315 81 HB3 GLN 11 HB1 GLN 11 56.543 -1.083 -0.849 82 HG2 GLN 11 HG2 GLN 11 57.659 -2.493 -2.429 83 HG3 GLN 11 HG1 GLN 11 56.005 -3.061 -2.242 84 HE21 GLN 11 HE21 GLN 11 54.598 -2.903 -3.965 85 HE22 GLN 11 HE22 GLN 11 55.125 -2.548 -5.573 86 H ASP 12 HN ASP 12 55.429 1.847 -2.100 87 HA ASP 12 HA ASP 12 55.258 2.598 0.615 88 HB2 ASP 12 HB2 ASP 12 55.181 4.379 -1.826 89 HB3 ASP 12 HB1 ASP 12 55.537 4.891 -0.182 90 H LEU 13 HN LEU 13 53.007 2.894 -2.074 91 HA LEU 13 HA LEU 13 51.125 4.505 -0.701 92 HB2 LEU 13 HB2 LEU 13 51.285 4.263 -3.191 93 HB3 LEU 13 HB1 LEU 13 50.642 2.645 -3.035 94 HG LEU 13 HG LEU 13 49.043 4.503 -3.784 95 HD11 LEU 13 HD11 LEU 13 48.246 2.309 -3.140 96 HD12 LEU 13 HD12 LEU 13 47.151 3.561 -2.549 97 HD13 LEU 13 HD13 LEU 13 48.275 2.776 -1.439 98 HD21 LEU 13 HD21 LEU 13 49.721 6.168 -2.115 99 HD22 LEU 13 HD22 LEU 13 49.096 5.131 -0.834 100 HD23 LEU 13 HD23 LEU 13 47.995 5.817 -2.028 101 H ARG 14 HN ARG 14 51.414 1.019 -1.230 102 HA ARG 14 HA ARG 14 49.011 0.347 0.067 103 HB2 ARG 14 HB2 ARG 14 51.486 -1.263 -0.519 104 HB3 ARG 14 HB1 ARG 14 50.068 -1.955 0.263 105 HG2 ARG 14 HG2 ARG 14 48.701 -1.321 -1.668 106 HG3 ARG 14 HG1 ARG 14 50.133 -0.659 -2.454 107 HD2 ARG 14 HD2 ARG 14 51.141 -2.837 -2.560 108 HD3 ARG 14 HD1 ARG 14 49.836 -3.534 -1.597 109 HE ARG 14 HE ARG 14 48.851 -2.269 -3.942 110 HH11 ARG 14 HH11 ARG 14 50.417 -5.196 -2.843 111 HH12 ARG 14 HH12 ARG 14 49.753 -6.180 -4.097 112 HH21 ARG 14 HH21 ARG 14 47.959 -3.570 -5.605 113 HH22 ARG 14 HH22 ARG 14 48.342 -5.253 -5.676 114 H LYS 15 HN LYS 15 52.322 0.646 1.275 115 HA LYS 15 HA LYS 15 51.702 -0.172 3.938 116 HB2 LYS 15 HB2 LYS 15 53.937 1.574 2.874 117 HB3 LYS 15 HB1 LYS 15 53.844 0.986 4.525 118 HG2 LYS 15 HG2 LYS 15 54.017 -0.774 2.089 119 HG3 LYS 15 HG1 LYS 15 55.387 -0.298 3.091 120 HD2 LYS 15 HD2 LYS 15 54.196 -1.327 5.043 121 HD3 LYS 15 HD1 LYS 15 53.006 -1.957 3.902 122 HE2 LYS 15 HE2 LYS 15 54.701 -3.636 4.425 123 HE3 LYS 15 HE1 LYS 15 54.765 -3.174 2.726 124 HZ1 LYS 15 HZ1 LYS 15 56.972 -3.334 3.778 125 HZ2 LYS 15 HZ2 LYS 15 56.554 -2.081 4.830 126 HZ3 LYS 15 HZ3 LYS 15 56.656 -1.789 3.173 127 H LYS 16 HN LYS 16 51.450 2.813 2.188 128 HA LYS 16 HA LYS 16 51.131 4.510 4.438 129 HB2 LYS 16 HB2 LYS 16 51.799 5.399 2.265 130 HB3 LYS 16 HB1 LYS 16 50.284 4.866 1.557 131 HG2 LYS 16 HG2 LYS 16 50.247 7.255 1.959 132 HG3 LYS 16 HG1 LYS 16 49.060 6.439 2.975 133 HD2 LYS 16 HD2 LYS 16 50.232 8.150 4.249 134 HD3 LYS 16 HD1 LYS 16 50.633 6.548 4.868 135 HE2 LYS 16 HE2 LYS 16 52.735 6.586 3.639 136 HE3 LYS 16 HE1 LYS 16 52.326 8.164 2.968 137 HZ1 LYS 16 HZ1 LYS 16 52.365 9.087 5.183 138 HZ2 LYS 16 HZ2 LYS 16 53.836 8.323 4.845 139 HZ3 LYS 16 HZ3 LYS 16 52.702 7.566 5.844 140 H ILE 17 HN ILE 17 48.780 3.176 2.107 141 HA ILE 17 HA ILE 17 46.534 4.247 3.388 142 HB ILE 17 HB ILE 17 46.445 3.491 1.064 143 HG12 ILE 17 HG12 ILE 17 44.476 1.983 2.801 144 HG13 ILE 17 HG11 ILE 17 44.358 3.689 2.385 145 HG21 ILE 17 HG21 ILE 17 46.269 1.119 0.496 146 HG22 ILE 17 HG22 ILE 17 46.577 0.695 2.180 147 HG23 ILE 17 HG23 ILE 17 47.826 1.501 1.233 148 HD11 ILE 17 HD11 ILE 17 42.877 2.341 1.017 149 HD12 ILE 17 HD12 ILE 17 44.248 1.386 0.450 150 HD13 ILE 17 HD13 ILE 17 44.128 3.094 0.027 151 H VAL 18 HN VAL 18 48.123 1.094 3.869 152 HA VAL 18 HA VAL 18 46.118 0.055 5.577 153 HB VAL 18 HB VAL 18 47.808 -1.578 6.357 154 HG11 VAL 18 HG11 VAL 18 48.257 -2.634 4.200 155 HG12 VAL 18 HG12 VAL 18 47.821 -1.135 3.381 156 HG13 VAL 18 HG13 VAL 18 46.607 -2.021 4.303 157 HG21 VAL 18 HG21 VAL 18 49.765 -0.151 6.439 158 HG22 VAL 18 HG22 VAL 18 49.740 0.013 4.684 159 HG23 VAL 18 HG23 VAL 18 50.073 -1.556 5.417 160 H ASP 19 HN ASP 19 48.901 2.078 6.151 161 HA ASP 19 HA ASP 19 48.740 1.951 9.002 162 HB2 ASP 19 HB2 ASP 19 50.812 2.540 7.717 163 HB3 ASP 19 HB1 ASP 19 50.057 4.074 7.297 164 H LEU 20 HN LEU 20 47.556 4.083 6.478 165 HA LEU 20 HA LEU 20 46.472 6.069 8.185 166 HB2 LEU 20 HB2 LEU 20 45.667 5.337 5.370 167 HB3 LEU 20 HB1 LEU 20 45.203 6.802 6.210 168 HG LEU 20 HG LEU 20 47.970 6.028 5.303 169 HD11 LEU 20 HD11 LEU 20 46.615 6.822 3.513 170 HD12 LEU 20 HD12 LEU 20 47.762 8.086 3.954 171 HD13 LEU 20 HD13 LEU 20 46.078 8.205 4.464 172 HD21 LEU 20 HD21 LEU 20 48.159 7.133 7.439 173 HD22 LEU 20 HD22 LEU 20 47.088 8.424 6.903 174 HD23 LEU 20 HD23 LEU 20 48.674 8.227 6.158 175 H HIS 21 HN HIS 21 45.297 3.007 6.993 176 HA HIS 21 HA HIS 21 42.573 3.278 7.618 177 HB2 HIS 21 HB2 HIS 21 44.424 0.928 7.422 178 HB3 HIS 21 HB1 HIS 21 42.818 0.701 8.097 179 HD1 HIS 21 HD1 HIS 21 40.978 2.140 6.313 180 HD2 HIS 21 HD2 HIS 21 44.303 0.141 4.820 181 HE1 HIS 21 HE1 HIS 21 40.458 1.678 3.906 182 H LYS 22 HN LYS 22 45.356 2.477 9.553 183 HA LYS 22 HA LYS 22 43.835 1.865 11.895 184 HB2 LYS 22 HB2 LYS 22 46.782 2.427 11.562 185 HB3 LYS 22 HB1 LYS 22 46.019 1.752 12.998 186 HG2 LYS 22 HG2 LYS 22 45.383 -0.232 11.800 187 HG3 LYS 22 HG1 LYS 22 45.960 0.453 10.281 188 HD2 LYS 22 HD2 LYS 22 47.569 -1.128 11.156 189 HD3 LYS 22 HD1 LYS 22 48.235 0.505 11.188 190 HE2 LYS 22 HE2 LYS 22 47.624 0.673 13.577 191 HE3 LYS 22 HE1 LYS 22 47.041 -0.989 13.523 192 HZ1 LYS 22 HZ1 LYS 22 49.826 -0.116 13.018 193 HZ2 LYS 22 HZ2 LYS 22 49.281 -1.713 12.994 194 HZ3 LYS 22 HZ3 LYS 22 49.265 -0.831 14.437 195 H SER 23 HN SER 23 45.245 4.711 10.500 196 HA SER 23 HA SER 23 45.101 6.314 12.856 197 HB2 SER 23 HB2 SER 23 45.085 7.211 9.961 198 HB3 SER 23 HB1 SER 23 45.514 8.188 11.365 199 HG SER 23 HG SER 23 47.149 6.378 11.674 200 H GLY 24 HN GLY 24 43.083 6.012 9.932 201 HA2 GLY 24 HA2 GLY 24 40.691 5.783 10.188 202 HA3 GLY 24 HA1 GLY 24 40.789 6.847 11.576 203 H SER 25 HN SER 25 41.289 9.099 11.185 204 HA SER 25 HA SER 25 39.571 10.201 9.284 205 HB2 SER 25 HB2 SER 25 40.188 11.315 11.393 206 HB3 SER 25 HB1 SER 25 41.815 11.579 10.772 207 HG SER 25 HG SER 25 39.377 12.729 9.931 208 H SER 26 HN SER 26 43.025 9.575 9.073 209 HA SER 26 HA SER 26 43.589 11.235 6.885 210 HB2 SER 26 HB2 SER 26 45.522 9.589 6.559 211 HB3 SER 26 HB1 SER 26 45.434 10.452 8.094 212 HG SER 26 HG SER 26 45.807 8.250 8.438 213 H LEU 27 HN LEU 27 41.997 8.166 7.050 214 HA LEU 27 HA LEU 27 42.393 7.347 4.366 215 HB2 LEU 27 HB2 LEU 27 41.584 5.893 6.263 216 HB3 LEU 27 HB1 LEU 27 40.047 6.719 6.176 217 HG LEU 27 HG LEU 27 40.163 4.421 5.110 218 HD11 LEU 27 HD11 LEU 27 38.795 5.027 3.180 219 HD12 LEU 27 HD12 LEU 27 39.292 6.709 3.358 220 HD13 LEU 27 HD13 LEU 27 38.335 5.934 4.621 221 HD21 LEU 27 HD21 LEU 27 41.698 5.902 2.982 222 HD22 LEU 27 HD22 LEU 27 41.111 4.242 2.882 223 HD23 LEU 27 HD23 LEU 27 42.357 4.668 4.056 224 H GLY 28 HN GLY 28 39.950 9.306 5.995 225 HA2 GLY 28 HA2 GLY 28 38.284 9.705 3.735 226 HA3 GLY 28 HA1 GLY 28 38.328 10.714 5.177 227 H ALA 29 HN ALA 29 41.196 11.223 4.872 228 HA ALA 29 HA ALA 29 41.060 13.560 3.293 229 HB1 ALA 29 HB1 ALA 29 43.481 12.142 4.399 230 HB2 ALA 29 HB2 ALA 29 42.539 13.380 5.228 231 HB3 ALA 29 HB3 ALA 29 43.447 13.790 3.772 232 H ILE 30 HN ILE 30 42.795 10.473 2.815 233 HA ILE 30 HA ILE 30 43.700 11.207 0.226 234 HB ILE 30 HB ILE 30 44.272 8.804 -0.088 235 HG12 ILE 30 HG12 ILE 30 43.241 8.487 2.737 236 HG13 ILE 30 HG11 ILE 30 42.434 7.871 1.299 237 HG21 ILE 30 HG21 ILE 30 46.010 8.754 1.648 238 HG22 ILE 30 HG22 ILE 30 45.197 10.087 2.469 239 HG23 ILE 30 HG23 ILE 30 45.877 10.325 0.859 240 HD11 ILE 30 HD11 ILE 30 44.288 6.392 0.853 241 HD12 ILE 30 HD12 ILE 30 43.715 6.147 2.503 242 HD13 ILE 30 HD13 ILE 30 45.187 7.070 2.206 243 H SER 31 HN SER 31 40.793 9.693 1.390 244 HA SER 31 HA SER 31 39.897 8.606 -1.042 245 HB2 SER 31 HB2 SER 31 38.865 8.094 1.159 246 HB3 SER 31 HB1 SER 31 38.228 9.738 1.222 247 HG SER 31 HG SER 31 36.582 8.757 0.311 248 H LYS 32 HN LYS 32 39.445 11.791 0.417 249 HA LYS 32 HA LYS 32 37.911 12.831 -1.761 250 HB2 LYS 32 HB2 LYS 32 37.696 13.750 0.482 251 HB3 LYS 32 HB1 LYS 32 39.397 14.186 0.491 252 HG2 LYS 32 HG2 LYS 32 38.917 15.733 -1.427 253 HG3 LYS 32 HG1 LYS 32 37.202 15.394 -1.181 254 HD2 LYS 32 HD2 LYS 32 37.762 17.439 -0.037 255 HD3 LYS 32 HD1 LYS 32 37.436 16.186 1.162 256 HE2 LYS 32 HE2 LYS 32 39.883 15.810 1.371 257 HE3 LYS 32 HE1 LYS 32 40.151 17.141 0.248 258 HZ1 LYS 32 HZ1 LYS 32 40.386 17.839 2.543 259 HZ2 LYS 32 HZ2 LYS 32 38.813 17.340 2.885 260 HZ3 LYS 32 HZ3 LYS 32 39.076 18.623 1.818 261 H ARG 33 HN ARG 33 41.274 12.666 -0.908 262 HA ARG 33 HA ARG 33 42.155 14.671 -2.746 263 HB2 ARG 33 HB2 ARG 33 43.359 14.237 -0.676 264 HB3 ARG 33 HB1 ARG 33 43.705 12.600 -1.206 265 HG2 ARG 33 HG2 ARG 33 45.049 13.478 -3.047 266 HG3 ARG 33 HG1 ARG 33 44.704 15.122 -2.506 267 HD2 ARG 33 HD2 ARG 33 45.806 14.681 -0.388 268 HD3 ARG 33 HD1 ARG 33 46.095 13.009 -0.866 269 HE ARG 33 HE ARG 33 47.234 14.589 -2.824 270 HH11 ARG 33 HH11 ARG 33 47.662 14.092 0.627 271 HH12 ARG 33 HH12 ARG 33 49.352 14.451 0.600 272 HH21 ARG 33 HH21 ARG 33 49.471 15.055 -2.867 273 HH22 ARG 33 HH22 ARG 33 50.390 15.010 -1.403 274 H LEU 34 HN LEU 34 42.789 11.121 -2.667 275 HA LEU 34 HA LEU 34 43.441 11.380 -5.521 276 HB2 LEU 34 HB2 LEU 34 44.856 9.341 -5.188 277 HB3 LEU 34 HB1 LEU 34 45.410 10.785 -4.371 278 HG LEU 34 HG LEU 34 44.226 9.795 -2.283 279 HD11 LEU 34 HD11 LEU 34 43.019 8.013 -3.412 280 HD12 LEU 34 HD12 LEU 34 44.137 7.360 -2.214 281 HD13 LEU 34 HD13 LEU 34 44.545 7.291 -3.928 282 HD21 LEU 34 HD21 LEU 34 46.634 10.050 -2.490 283 HD22 LEU 34 HD22 LEU 34 46.731 8.539 -3.395 284 HD23 LEU 34 HD23 LEU 34 46.235 8.524 -1.703 285 H LYS 35 HN LYS 35 41.087 10.279 -3.546 286 HA LYS 35 HA LYS 35 39.268 8.966 -3.824 287 HB2 LYS 35 HB2 LYS 35 39.141 9.913 -6.080 288 HB3 LYS 35 HB1 LYS 35 40.245 8.681 -6.671 289 HG2 LYS 35 HG2 LYS 35 38.528 6.977 -5.911 290 HG3 LYS 35 HG1 LYS 35 37.422 8.335 -5.707 291 HD2 LYS 35 HD2 LYS 35 38.804 7.505 -8.258 292 HD3 LYS 35 HD1 LYS 35 37.093 7.312 -7.878 293 HE2 LYS 35 HE2 LYS 35 36.857 9.745 -7.743 294 HE3 LYS 35 HE1 LYS 35 38.566 9.930 -8.137 295 HZ1 LYS 35 HZ1 LYS 35 38.127 8.829 -10.262 296 HZ2 LYS 35 HZ2 LYS 35 37.208 10.238 -10.085 297 HZ3 LYS 35 HZ3 LYS 35 36.487 8.732 -9.870 298 H VAL 36 HN VAL 36 39.801 7.350 -2.461 299 HA VAL 36 HA VAL 36 41.539 5.215 -3.176 300 HB VAL 36 HB VAL 36 40.612 4.040 -1.155 301 HG11 VAL 36 HG11 VAL 36 42.565 5.471 -0.991 302 HG12 VAL 36 HG12 VAL 36 41.573 5.610 0.460 303 HG13 VAL 36 HG13 VAL 36 41.533 6.881 -0.760 304 HG21 VAL 36 HG21 VAL 36 38.350 4.964 -1.175 305 HG22 VAL 36 HG22 VAL 36 38.991 6.575 -0.855 306 HG23 VAL 36 HG23 VAL 36 39.148 5.306 0.361 307 HA PRO 37 HA PRO 37 38.452 3.172 -5.728 308 HB2 PRO 37 HB2 PRO 37 40.554 1.209 -6.265 309 HB3 PRO 37 HB1 PRO 37 39.770 2.326 -7.384 310 HG2 PRO 37 HG2 PRO 37 42.356 2.599 -6.613 311 HG3 PRO 37 HG1 PRO 37 41.325 3.979 -7.034 312 HD2 PRO 37 HD2 PRO 37 42.106 2.945 -4.335 313 HD3 PRO 37 HD1 PRO 37 41.960 4.621 -4.912 314 H ARG 38 HN ARG 38 36.987 1.803 -4.936 315 HA ARG 38 HA ARG 38 37.346 0.361 -2.566 316 HB2 ARG 38 HB2 ARG 38 35.230 0.207 -4.688 317 HB3 ARG 38 HB1 ARG 38 35.208 -0.871 -3.301 318 HG2 ARG 38 HG2 ARG 38 33.794 0.892 -2.716 319 HG3 ARG 38 HG1 ARG 38 35.303 1.233 -1.869 320 HD2 ARG 38 HD2 ARG 38 34.549 3.279 -2.809 321 HD3 ARG 38 HD1 ARG 38 35.913 2.737 -3.781 322 HE ARG 38 HE ARG 38 34.378 2.087 -5.500 323 HH11 ARG 38 HH11 ARG 38 32.945 3.922 -2.875 324 HH12 ARG 38 HH12 ARG 38 31.577 4.423 -3.803 325 HH21 ARG 38 HH21 ARG 38 32.567 2.734 -6.721 326 HH22 ARG 38 HH22 ARG 38 31.353 3.738 -6.005 327 H SER 39 HN SER 39 37.473 -0.728 -5.908 328 HA SER 39 HA SER 39 37.762 -3.460 -5.373 329 HB2 SER 39 HB2 SER 39 37.183 -2.699 -7.590 330 HB3 SER 39 HB1 SER 39 38.689 -1.792 -7.718 331 HG SER 39 HG SER 39 38.238 -4.315 -8.398 332 H SER 40 HN SER 40 40.093 -0.833 -5.446 333 HA SER 40 HA SER 40 42.352 -2.609 -5.364 334 HB2 SER 40 HB2 SER 40 42.243 0.383 -4.947 335 HB3 SER 40 HB1 SER 40 43.694 -0.579 -5.235 336 HG SER 40 HG SER 40 43.172 0.129 -7.211 337 H VAL 41 HN VAL 41 40.713 -0.453 -3.043 338 HA VAL 41 HA VAL 41 42.557 -0.933 -0.965 339 HB VAL 41 HB VAL 41 41.106 1.024 -0.880 340 HG11 VAL 41 HG11 VAL 41 39.105 0.069 -1.871 341 HG12 VAL 41 HG12 VAL 41 38.740 0.871 -0.343 342 HG13 VAL 41 HG13 VAL 41 38.829 -0.890 -0.418 343 HG21 VAL 41 HG21 VAL 41 42.005 0.196 1.220 344 HG22 VAL 41 HG22 VAL 41 40.601 -0.851 1.425 345 HG23 VAL 41 HG23 VAL 41 40.408 0.903 1.464 346 H GLN 42 HN GLN 42 39.516 -2.550 -1.810 347 HA GLN 42 HA GLN 42 39.514 -4.151 0.539 348 HB2 GLN 42 HB2 GLN 42 38.009 -4.461 -2.052 349 HB3 GLN 42 HB1 GLN 42 37.754 -5.468 -0.632 350 HG2 GLN 42 HG2 GLN 42 37.181 -3.446 0.658 351 HG3 GLN 42 HG1 GLN 42 37.348 -2.493 -0.812 352 HE21 GLN 42 HE21 GLN 42 35.994 -5.707 -0.747 353 HE22 GLN 42 HE22 GLN 42 34.371 -5.233 -1.105 354 H THR 43 HN THR 43 41.046 -4.514 -2.565 355 HA THR 43 HA THR 43 41.513 -7.319 -2.169 356 HB THR 43 HB THR 43 43.207 -6.957 -4.088 357 HG1 THR 43 HG1 THR 43 41.752 -4.689 -4.765 358 HG21 THR 43 HG21 THR 43 41.410 -6.939 -5.763 359 HG22 THR 43 HG22 THR 43 40.272 -6.403 -4.527 360 HG23 THR 43 HG23 THR 43 41.023 -7.996 -4.406 361 H ILE 44 HN ILE 44 43.328 -4.322 -1.680 362 HA ILE 44 HA ILE 44 45.716 -5.723 -1.001 363 HB ILE 44 HB ILE 44 46.651 -3.562 -0.286 364 HG12 ILE 44 HG12 ILE 44 45.053 -1.546 -1.041 365 HG13 ILE 44 HG11 ILE 44 43.814 -2.680 -0.521 366 HG21 ILE 44 HG21 ILE 44 46.802 -4.205 -2.597 367 HG22 ILE 44 HG22 ILE 44 46.576 -2.460 -2.474 368 HG23 ILE 44 HG23 ILE 44 45.223 -3.496 -2.930 369 HD11 ILE 44 HD11 ILE 44 46.095 -1.661 1.162 370 HD12 ILE 44 HD12 ILE 44 44.849 -2.794 1.687 371 HD13 ILE 44 HD13 ILE 44 44.412 -1.140 1.258 372 H VAL 45 HN VAL 45 43.022 -4.442 0.897 373 HA VAL 45 HA VAL 45 44.307 -4.739 3.398 374 HB VAL 45 HB VAL 45 42.054 -4.732 4.435 375 HG11 VAL 45 HG11 VAL 45 42.465 -2.623 2.330 376 HG12 VAL 45 HG12 VAL 45 43.155 -2.633 3.953 377 HG13 VAL 45 HG13 VAL 45 41.411 -2.482 3.737 378 HG21 VAL 45 HG21 VAL 45 40.779 -5.957 2.815 379 HG22 VAL 45 HG22 VAL 45 41.087 -4.731 1.588 380 HG23 VAL 45 HG23 VAL 45 40.079 -4.346 2.983 381 H ARG 46 HN ARG 46 42.556 -6.963 1.375 382 HA ARG 46 HA ARG 46 42.538 -9.050 3.354 383 HB2 ARG 46 HB2 ARG 46 41.933 -9.041 0.396 384 HB3 ARG 46 HB1 ARG 46 41.801 -10.470 1.411 385 HG2 ARG 46 HG2 ARG 46 40.044 -9.499 2.687 386 HG3 ARG 46 HG1 ARG 46 40.291 -7.924 1.931 387 HD2 ARG 46 HD2 ARG 46 38.343 -9.089 1.010 388 HD3 ARG 46 HD1 ARG 46 39.585 -8.811 -0.211 389 HE ARG 46 HE ARG 46 39.600 -11.400 1.115 390 HH11 ARG 46 HH11 ARG 46 38.690 -9.520 -1.709 391 HH12 ARG 46 HH12 ARG 46 38.453 -10.901 -2.720 392 HH21 ARG 46 HH21 ARG 46 39.281 -13.244 -0.239 393 HH22 ARG 46 HH22 ARG 46 38.782 -13.022 -1.879 394 H LYS 47 HN LYS 47 44.539 -8.048 0.673 395 HA LYS 47 HA LYS 47 46.008 -10.455 0.459 396 HB2 LYS 47 HB2 LYS 47 45.735 -8.447 -1.212 397 HB3 LYS 47 HB1 LYS 47 47.158 -7.829 -0.389 398 HG2 LYS 47 HG2 LYS 47 47.067 -10.585 -1.579 399 HG3 LYS 47 HG1 LYS 47 47.532 -9.168 -2.514 400 HD2 LYS 47 HD2 LYS 47 49.404 -8.757 -1.067 401 HD3 LYS 47 HD1 LYS 47 48.868 -10.011 0.054 402 HE2 LYS 47 HE2 LYS 47 50.732 -10.747 -1.388 403 HE3 LYS 47 HE1 LYS 47 49.280 -11.722 -1.600 404 HZ1 LYS 47 HZ1 LYS 47 50.382 -11.123 -3.703 405 HZ2 LYS 47 HZ2 LYS 47 50.064 -9.490 -3.401 406 HZ3 LYS 47 HZ3 LYS 47 48.788 -10.574 -3.620 407 H TYR 48 HN TYR 48 46.741 -7.336 2.105 408 HA TYR 48 HA TYR 48 49.270 -8.287 2.973 409 HB2 TYR 48 HB2 TYR 48 49.590 -6.263 4.065 410 HB3 TYR 48 HB1 TYR 48 48.424 -5.810 2.838 411 HD1 TYR 48 HD1 TYR 48 48.956 -6.387 6.425 412 HD2 TYR 48 HD2 TYR 48 46.191 -5.121 3.463 413 HE1 TYR 48 HE1 TYR 48 47.529 -5.435 8.181 414 HE2 TYR 48 HE2 TYR 48 44.748 -4.168 5.218 415 HH TYR 48 HH TYR 48 44.329 -4.443 7.596 416 H LYS 49 HN LYS 49 46.056 -8.573 4.257 417 HA LYS 49 HA LYS 49 46.829 -9.500 6.838 418 HB2 LYS 49 HB2 LYS 49 44.290 -9.753 5.240 419 HB3 LYS 49 HB1 LYS 49 44.474 -10.532 6.801 420 HG2 LYS 49 HG2 LYS 49 44.716 -7.574 6.296 421 HG3 LYS 49 HG1 LYS 49 43.295 -8.390 6.945 422 HD2 LYS 49 HD2 LYS 49 44.748 -9.223 8.815 423 HD3 LYS 49 HD1 LYS 49 46.025 -8.173 8.203 424 HE2 LYS 49 HE2 LYS 49 44.814 -7.100 10.024 425 HE3 LYS 49 HE1 LYS 49 44.581 -6.228 8.510 426 HZ1 LYS 49 HZ1 LYS 49 42.421 -7.258 8.269 427 HZ2 LYS 49 HZ2 LYS 49 42.513 -6.482 9.767 428 HZ3 LYS 49 HZ3 LYS 49 42.654 -8.163 9.677 429 H HIS 50 HN HIS 50 46.077 -11.060 3.769 430 HA HIS 50 HA HIS 50 46.376 -13.727 4.688 431 HB2 HIS 50 HB2 HIS 50 45.186 -13.100 2.591 432 HB3 HIS 50 HB1 HIS 50 46.727 -12.639 1.881 433 HD1 HIS 50 HD1 HIS 50 44.782 -15.665 2.987 434 HD2 HIS 50 HD2 HIS 50 48.225 -14.737 0.859 435 HE1 HIS 50 HE1 HIS 50 45.518 -17.819 1.939 436 H HIS 51 HN HIS 51 48.579 -11.275 3.619 437 HA HIS 51 HA HIS 51 50.846 -13.056 3.401 438 HB2 HIS 51 HB2 HIS 51 50.563 -10.891 2.079 439 HB3 HIS 51 HB1 HIS 51 50.906 -10.038 3.579 440 HD1 HIS 51 HD1 HIS 51 53.335 -9.618 4.087 441 HD2 HIS 51 HD2 HIS 51 52.809 -12.581 1.216 442 HE1 HIS 51 HE1 HIS 51 55.630 -10.148 3.245 443 H GLY 52 HN GLY 52 49.140 -11.674 5.918 444 HA2 GLY 52 HA2 GLY 52 51.091 -10.908 7.756 445 HA3 GLY 52 HA1 GLY 52 49.513 -11.557 8.173 446 H THR 53 HN THR 53 50.009 -14.107 6.835 447 HA THR 53 HA THR 53 51.183 -15.476 9.009 448 HB THR 53 HB THR 53 49.400 -16.484 7.647 449 HG1 THR 53 HG1 THR 53 51.401 -17.705 8.640 450 HG21 THR 53 HG21 THR 53 51.499 -16.641 5.479 451 HG22 THR 53 HG22 THR 53 50.038 -15.655 5.446 452 HG23 THR 53 HG23 THR 53 49.915 -17.414 5.421 453 H THR 54 HN THR 54 52.461 -14.248 6.012 454 HA THR 54 HA THR 54 55.040 -15.525 6.609 455 HB THR 54 HB THR 54 55.500 -14.994 4.129 456 HG1 THR 54 HG1 THR 54 53.450 -15.043 2.919 457 HG21 THR 54 HG21 THR 54 53.448 -17.090 4.869 458 HG22 THR 54 HG22 THR 54 55.198 -17.270 4.984 459 HG23 THR 54 HG23 THR 54 54.432 -17.092 3.406 460 H GLN 55 HN GLN 55 53.586 -12.866 7.278 461 HA GLN 55 HA GLN 55 55.250 -10.827 6.182 462 HB2 GLN 55 HB2 GLN 55 52.933 -10.421 6.955 463 HB3 GLN 55 HB1 GLN 55 53.449 -10.721 8.608 464 HG2 GLN 55 HG2 GLN 55 53.316 -8.366 8.275 465 HG3 GLN 55 HG1 GLN 55 55.018 -8.810 8.405 466 HE21 GLN 55 HE21 GLN 55 55.740 -7.023 7.302 467 HE22 GLN 55 HE22 GLN 55 55.507 -6.824 5.599 468 H HIS 56 HN HIS 56 57.213 -10.309 6.782 469 HA HIS 56 HA HIS 56 58.162 -11.096 9.449 470 HB2 HIS 56 HB2 HIS 56 59.637 -10.643 6.847 471 HB3 HIS 56 HB1 HIS 56 60.464 -10.718 8.396 472 HD1 HIS 56 HD1 HIS 56 61.481 -12.936 8.739 473 HD2 HIS 56 HD2 HIS 56 57.915 -13.206 6.621 474 HE1 HIS 56 HE1 HIS 56 61.173 -15.377 8.258 475 H HIS 57 HN HIS 57 59.667 -9.562 10.465 476 HA HIS 57 HA HIS 57 58.694 -6.850 10.120 477 HB2 HIS 57 HB2 HIS 57 58.876 -7.844 12.398 478 HB3 HIS 57 HB1 HIS 57 60.619 -7.961 12.179 479 HD1 HIS 57 HD1 HIS 57 61.992 -5.882 12.637 480 HD2 HIS 57 HD2 HIS 57 57.897 -5.160 12.638 481 HE1 HIS 57 HE1 HIS 57 61.726 -3.535 13.486 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 65.945 16.812 -15.280 2 H2 ALA 1 HT2 ALA 1 66.340 16.224 -13.749 3 H3 ALA 1 HT3 ALA 1 65.714 17.785 -13.920 4 HA ALA 1 HA ALA 1 64.043 16.287 -13.091 5 HB1 ALA 1 HB1 ALA 1 63.350 18.157 -14.489 6 HB2 ALA 1 HB2 ALA 1 62.317 16.753 -14.765 7 HB3 ALA 1 HB3 ALA 1 63.570 17.171 -15.933 8 H SER 2 HN SER 2 63.329 14.253 -12.978 9 HA SER 2 HA SER 2 64.371 12.330 -14.901 10 HB2 SER 2 HB2 SER 2 62.906 11.850 -12.297 11 HB3 SER 2 HB1 SER 2 63.781 10.650 -13.247 12 HG SER 2 HG SER 2 65.431 12.681 -12.761 13 H MET 3 HN MET 3 63.124 11.366 -16.403 14 HA MET 3 HA MET 3 60.400 12.176 -16.749 15 HB2 MET 3 HB2 MET 3 60.414 10.770 -18.733 16 HB3 MET 3 HB1 MET 3 61.874 11.745 -18.670 17 HG2 MET 3 HG2 MET 3 63.165 9.852 -17.928 18 HG3 MET 3 HG1 MET 3 61.712 8.862 -17.819 19 HE1 MET 3 HE1 MET 3 60.098 9.632 -20.455 20 HE2 MET 3 HE2 MET 3 60.345 7.999 -19.838 21 HE3 MET 3 HE3 MET 3 60.699 8.365 -21.525 22 H GLY 4 HN GLY 4 61.870 9.714 -14.979 23 HA2 GLY 4 HA2 GLY 4 60.253 8.613 -13.431 24 HA3 GLY 4 HA1 GLY 4 59.330 8.222 -14.879 25 H LYS 5 HN LYS 5 59.556 6.005 -14.104 26 HA LYS 5 HA LYS 5 62.145 4.885 -14.937 27 HB2 LYS 5 HB2 LYS 5 60.363 3.860 -12.726 28 HB3 LYS 5 HB1 LYS 5 61.871 3.131 -13.253 29 HG2 LYS 5 HG2 LYS 5 63.101 5.090 -12.514 30 HG3 LYS 5 HG1 LYS 5 61.594 5.867 -12.029 31 HD2 LYS 5 HD2 LYS 5 62.704 3.301 -10.891 32 HD3 LYS 5 HD1 LYS 5 62.764 4.881 -10.113 33 HE2 LYS 5 HE2 LYS 5 60.283 3.299 -10.801 34 HE3 LYS 5 HE1 LYS 5 60.950 3.562 -9.194 35 HZ1 LYS 5 HZ1 LYS 5 59.109 5.049 -9.595 36 HZ2 LYS 5 HZ2 LYS 5 59.838 5.658 -10.985 37 HZ3 LYS 5 HZ3 LYS 5 60.535 5.946 -9.474 38 H SER 6 HN SER 6 61.986 2.620 -15.635 39 HA SER 6 HA SER 6 59.926 2.263 -17.533 40 HB2 SER 6 HB2 SER 6 62.296 1.332 -17.641 41 HB3 SER 6 HB1 SER 6 61.776 0.114 -16.479 42 HG SER 6 HG SER 6 60.388 0.566 -18.896 43 H LYS 7 HN LYS 7 60.576 0.886 -14.348 44 HA LYS 7 HA LYS 7 57.775 0.030 -14.261 45 HB2 LYS 7 HB2 LYS 7 59.354 -1.910 -14.439 46 HB3 LYS 7 HB1 LYS 7 60.087 -1.394 -12.929 47 HG2 LYS 7 HG2 LYS 7 58.032 -1.787 -11.737 48 HG3 LYS 7 HG1 LYS 7 57.195 -2.167 -13.242 49 HD2 LYS 7 HD2 LYS 7 59.525 -3.722 -12.114 50 HD3 LYS 7 HD1 LYS 7 57.829 -4.177 -11.949 51 HE2 LYS 7 HE2 LYS 7 57.671 -4.247 -14.433 52 HE3 LYS 7 HE1 LYS 7 59.405 -3.944 -14.510 53 HZ1 LYS 7 HZ1 LYS 7 58.893 -6.305 -14.704 54 HZ2 LYS 7 HZ2 LYS 7 58.134 -6.287 -13.199 55 HZ3 LYS 7 HZ3 LYS 7 59.791 -5.996 -13.306 56 H GLU 8 HN GLU 8 56.706 0.490 -12.373 57 HA GLU 8 HA GLU 8 57.823 2.654 -10.877 58 HB2 GLU 8 HB2 GLU 8 55.601 2.623 -9.693 59 HB3 GLU 8 HB1 GLU 8 55.533 2.868 -11.427 60 HG2 GLU 8 HG2 GLU 8 53.749 1.396 -10.722 61 HG3 GLU 8 HG1 GLU 8 54.889 0.514 -11.731 62 H ILE 9 HN ILE 9 57.230 2.653 -8.445 63 HA ILE 9 HA ILE 9 57.687 0.115 -7.159 64 HB ILE 9 HB ILE 9 59.966 0.894 -7.389 65 HG12 ILE 9 HG12 ILE 9 59.005 1.396 -4.561 66 HG13 ILE 9 HG11 ILE 9 59.378 -0.179 -5.254 67 HG21 ILE 9 HG21 ILE 9 59.118 3.470 -6.085 68 HG22 ILE 9 HG22 ILE 9 59.530 3.253 -7.784 69 HG23 ILE 9 HG23 ILE 9 60.763 3.028 -6.543 70 HD11 ILE 9 HD11 ILE 9 61.712 0.496 -5.517 71 HD12 ILE 9 HD12 ILE 9 61.183 0.612 -3.839 72 HD13 ILE 9 HD13 ILE 9 61.333 2.069 -4.819 73 H SER 10 HN SER 10 55.462 0.507 -6.735 74 HA SER 10 HA SER 10 54.651 2.760 -5.157 75 HB2 SER 10 HB2 SER 10 53.148 0.225 -5.834 76 HB3 SER 10 HB1 SER 10 52.445 1.699 -5.170 77 HG SER 10 HG SER 10 53.626 1.286 -7.720 78 H GLN 11 HN GLN 11 56.676 0.780 -4.073 79 HA GLN 11 HA GLN 11 55.571 -0.696 -1.969 80 HB2 GLN 11 HB2 GLN 11 58.296 0.561 -2.266 81 HB3 GLN 11 HB1 GLN 11 57.867 -0.522 -0.950 82 HG2 GLN 11 HG2 GLN 11 57.857 -1.199 -3.882 83 HG3 GLN 11 HG1 GLN 11 59.066 -1.697 -2.699 84 HE21 GLN 11 HE21 GLN 11 58.494 -3.208 -1.121 85 HE22 GLN 11 HE22 GLN 11 57.132 -4.253 -1.320 86 H ASP 12 HN ASP 12 56.874 2.601 -2.018 87 HA ASP 12 HA ASP 12 56.450 3.186 0.695 88 HB2 ASP 12 HB2 ASP 12 56.499 5.034 -1.699 89 HB3 ASP 12 HB1 ASP 12 56.526 5.576 -0.025 90 H LEU 13 HN LEU 13 54.376 3.493 -2.116 91 HA LEU 13 HA LEU 13 52.281 4.885 -0.807 92 HB2 LEU 13 HB2 LEU 13 52.756 4.754 -3.312 93 HB3 LEU 13 HB1 LEU 13 52.030 3.165 -3.278 94 HG LEU 13 HG LEU 13 50.550 5.019 -4.116 95 HD11 LEU 13 HD11 LEU 13 49.558 3.520 -1.702 96 HD12 LEU 13 HD12 LEU 13 49.583 2.930 -3.363 97 HD13 LEU 13 HD13 LEU 13 48.549 4.289 -2.926 98 HD21 LEU 13 HD21 LEU 13 49.516 6.515 -2.503 99 HD22 LEU 13 HD22 LEU 13 51.265 6.752 -2.542 100 HD23 LEU 13 HD23 LEU 13 50.524 5.852 -1.218 101 H ARG 14 HN ARG 14 52.860 1.454 -1.531 102 HA ARG 14 HA ARG 14 50.369 0.559 -0.548 103 HB2 ARG 14 HB2 ARG 14 51.575 -0.844 -2.061 104 HB3 ARG 14 HB1 ARG 14 52.966 -0.904 -0.990 105 HG2 ARG 14 HG2 ARG 14 51.956 -2.394 0.457 106 HG3 ARG 14 HG1 ARG 14 50.329 -1.939 -0.047 107 HD2 ARG 14 HD2 ARG 14 51.085 -4.197 -0.827 108 HD3 ARG 14 HD1 ARG 14 50.551 -3.109 -2.104 109 HE ARG 14 HE ARG 14 53.380 -3.007 -1.665 110 HH11 ARG 14 HH11 ARG 14 50.821 -4.817 -3.232 111 HH12 ARG 14 HH12 ARG 14 51.825 -5.409 -4.506 112 HH21 ARG 14 HH21 ARG 14 54.740 -3.788 -3.370 113 HH22 ARG 14 HH22 ARG 14 54.066 -4.829 -4.580 114 H LYS 15 HN LYS 15 53.515 0.967 1.011 115 HA LYS 15 HA LYS 15 52.672 -0.172 3.481 116 HB2 LYS 15 HB2 LYS 15 54.893 1.800 2.912 117 HB3 LYS 15 HB1 LYS 15 54.658 0.974 4.444 118 HG2 LYS 15 HG2 LYS 15 54.955 -1.195 3.244 119 HG3 LYS 15 HG1 LYS 15 55.366 -0.271 1.796 120 HD2 LYS 15 HD2 LYS 15 56.830 -0.170 4.439 121 HD3 LYS 15 HD1 LYS 15 57.376 -1.013 2.989 122 HE2 LYS 15 HE2 LYS 15 57.522 1.106 1.793 123 HE3 LYS 15 HE1 LYS 15 56.909 1.964 3.205 124 HZ1 LYS 15 HZ1 LYS 15 59.319 2.118 3.028 125 HZ2 LYS 15 HZ2 LYS 15 59.455 0.440 3.094 126 HZ3 LYS 15 HZ3 LYS 15 58.871 1.292 4.432 127 H LYS 16 HN LYS 16 52.315 2.906 1.976 128 HA LYS 16 HA LYS 16 51.664 4.359 4.345 129 HB2 LYS 16 HB2 LYS 16 52.614 5.413 2.311 130 HB3 LYS 16 HB1 LYS 16 51.111 5.073 1.466 131 HG2 LYS 16 HG2 LYS 16 49.900 6.513 2.989 132 HG3 LYS 16 HG1 LYS 16 51.377 6.814 3.904 133 HD2 LYS 16 HD2 LYS 16 52.378 7.741 1.802 134 HD3 LYS 16 HD1 LYS 16 50.780 7.611 1.063 135 HE2 LYS 16 HE2 LYS 16 51.133 9.861 1.883 136 HE3 LYS 16 HE1 LYS 16 49.870 9.068 2.821 137 HZ1 LYS 16 HZ1 LYS 16 51.419 10.294 4.223 138 HZ2 LYS 16 HZ2 LYS 16 52.703 9.356 3.662 139 HZ3 LYS 16 HZ3 LYS 16 51.471 8.640 4.570 140 H ILE 17 HN ILE 17 49.766 2.904 1.693 141 HA ILE 17 HA ILE 17 47.268 3.830 2.581 142 HB ILE 17 HB ILE 17 47.565 2.871 0.323 143 HG12 ILE 17 HG12 ILE 17 45.488 1.472 0.254 144 HG13 ILE 17 HG11 ILE 17 45.485 1.473 2.012 145 HG21 ILE 17 HG21 ILE 17 49.052 1.031 0.887 146 HG22 ILE 17 HG22 ILE 17 47.663 0.478 -0.049 147 HG23 ILE 17 HG23 ILE 17 47.723 0.199 1.691 148 HD11 ILE 17 HD11 ILE 17 43.939 3.110 1.094 149 HD12 ILE 17 HD12 ILE 17 45.273 3.908 0.259 150 HD13 ILE 17 HD13 ILE 17 45.222 3.884 2.022 151 H VAL 18 HN VAL 18 49.105 0.955 3.474 152 HA VAL 18 HA VAL 18 47.084 -0.167 5.134 153 HB VAL 18 HB VAL 18 50.087 -0.552 5.306 154 HG11 VAL 18 HG11 VAL 18 48.964 -1.278 7.328 155 HG12 VAL 18 HG12 VAL 18 49.520 -2.678 6.410 156 HG13 VAL 18 HG13 VAL 18 47.817 -2.222 6.379 157 HG21 VAL 18 HG21 VAL 18 48.006 -2.139 3.805 158 HG22 VAL 18 HG22 VAL 18 49.703 -2.586 3.978 159 HG23 VAL 18 HG23 VAL 18 49.260 -1.126 3.093 160 H ASP 19 HN ASP 19 49.737 2.075 5.634 161 HA ASP 19 HA ASP 19 49.658 2.253 8.435 162 HB2 ASP 19 HB2 ASP 19 51.519 3.154 7.156 163 HB3 ASP 19 HB1 ASP 19 50.455 4.315 6.371 164 H LEU 20 HN LEU 20 47.984 4.107 5.929 165 HA LEU 20 HA LEU 20 46.594 5.794 7.730 166 HB2 LEU 20 HB2 LEU 20 46.364 5.169 4.832 167 HB3 LEU 20 HB1 LEU 20 44.997 5.935 5.610 168 HG LEU 20 HG LEU 20 46.423 7.581 4.509 169 HD11 LEU 20 HD11 LEU 20 45.197 8.254 6.493 170 HD12 LEU 20 HD12 LEU 20 46.730 9.116 6.364 171 HD13 LEU 20 HD13 LEU 20 46.560 7.787 7.509 172 HD21 LEU 20 HD21 LEU 20 48.554 6.412 4.661 173 HD22 LEU 20 HD22 LEU 20 48.576 6.662 6.406 174 HD23 LEU 20 HD23 LEU 20 48.678 8.045 5.314 175 H HIS 21 HN HIS 21 45.998 2.573 6.581 176 HA HIS 21 HA HIS 21 43.255 2.503 7.353 177 HB2 HIS 21 HB2 HIS 21 45.261 0.441 6.576 178 HB3 HIS 21 HB1 HIS 21 43.849 -0.096 7.481 179 HD1 HIS 21 HD1 HIS 21 41.480 0.796 6.357 180 HD2 HIS 21 HD2 HIS 21 44.814 0.508 3.895 181 HE1 HIS 21 HE1 HIS 21 40.590 0.831 4.013 182 H LYS 22 HN LYS 22 46.250 2.173 9.023 183 HA LYS 22 HA LYS 22 45.051 1.120 11.423 184 HB2 LYS 22 HB2 LYS 22 47.772 2.341 10.929 185 HB3 LYS 22 HB1 LYS 22 47.275 1.588 12.436 186 HG2 LYS 22 HG2 LYS 22 47.508 0.213 9.764 187 HG3 LYS 22 HG1 LYS 22 48.651 0.088 11.102 188 HD2 LYS 22 HD2 LYS 22 46.834 -0.853 12.505 189 HD3 LYS 22 HD1 LYS 22 45.770 -0.814 11.099 190 HE2 LYS 22 HE2 LYS 22 47.314 -2.313 9.910 191 HE3 LYS 22 HE1 LYS 22 48.342 -2.369 11.339 192 HZ1 LYS 22 HZ1 LYS 22 46.472 -3.327 12.566 193 HZ2 LYS 22 HZ2 LYS 22 46.929 -4.293 11.262 194 HZ3 LYS 22 HZ3 LYS 22 45.541 -3.338 11.154 195 H SER 23 HN SER 23 45.331 4.117 9.915 196 HA SER 23 HA SER 23 45.068 5.713 12.305 197 HB2 SER 23 HB2 SER 23 46.256 6.591 10.303 198 HB3 SER 23 HB1 SER 23 44.761 6.474 9.379 199 HG SER 23 HG SER 23 45.567 8.522 10.712 200 H GLY 24 HN GLY 24 43.058 4.765 9.531 201 HA2 GLY 24 HA2 GLY 24 40.830 4.125 9.555 202 HA3 GLY 24 HA1 GLY 24 40.749 4.558 11.253 203 H SER 25 HN SER 25 40.909 7.012 11.622 204 HA SER 25 HA SER 25 38.627 8.106 10.333 205 HB2 SER 25 HB2 SER 25 40.575 9.449 12.206 206 HB3 SER 25 HB1 SER 25 38.953 10.015 11.806 207 HG SER 25 HG SER 25 38.081 8.249 12.824 208 H SER 26 HN SER 26 41.921 8.192 9.495 209 HA SER 26 HA SER 26 41.616 10.674 7.974 210 HB2 SER 26 HB2 SER 26 43.652 10.298 9.403 211 HB3 SER 26 HB1 SER 26 44.104 8.986 8.318 212 HG SER 26 HG SER 26 43.883 10.708 6.619 213 H LEU 27 HN LEU 27 40.665 7.706 7.453 214 HA LEU 27 HA LEU 27 41.919 6.913 5.036 215 HB2 LEU 27 HB2 LEU 27 40.227 5.726 6.810 216 HB3 LEU 27 HB1 LEU 27 39.127 6.070 5.493 217 HG LEU 27 HG LEU 27 40.004 3.791 5.372 218 HD11 LEU 27 HD11 LEU 27 39.402 4.881 3.294 219 HD12 LEU 27 HD12 LEU 27 40.779 3.804 3.059 220 HD13 LEU 27 HD13 LEU 27 41.029 5.547 3.154 221 HD21 LEU 27 HD21 LEU 27 42.707 5.082 5.034 222 HD22 LEU 27 HD22 LEU 27 42.349 3.361 4.909 223 HD23 LEU 27 HD23 LEU 27 42.159 4.192 6.453 224 H GLY 28 HN GLY 28 39.051 8.832 5.783 225 HA2 GLY 28 HA2 GLY 28 37.968 8.988 3.201 226 HA3 GLY 28 HA1 GLY 28 37.733 10.175 4.476 227 H ALA 29 HN ALA 29 40.408 10.957 4.797 228 HA ALA 29 HA ALA 29 40.655 13.022 2.976 229 HB1 ALA 29 HB1 ALA 29 42.901 13.340 3.847 230 HB2 ALA 29 HB2 ALA 29 42.878 11.722 4.545 231 HB3 ALA 29 HB3 ALA 29 41.783 12.961 5.157 232 H ILE 30 HN ILE 30 42.564 10.004 3.054 233 HA ILE 30 HA ILE 30 43.860 10.587 0.597 234 HB ILE 30 HB ILE 30 44.637 8.233 0.631 235 HG12 ILE 30 HG12 ILE 30 43.045 8.034 3.198 236 HG13 ILE 30 HG11 ILE 30 42.595 7.270 1.678 237 HG21 ILE 30 HG21 ILE 30 46.001 8.441 2.650 238 HG22 ILE 30 HG22 ILE 30 44.927 9.707 3.246 239 HG23 ILE 30 HG23 ILE 30 45.883 9.976 1.790 240 HD11 ILE 30 HD11 ILE 30 44.649 5.950 1.753 241 HD12 ILE 30 HD12 ILE 30 43.632 5.683 3.168 242 HD13 ILE 30 HD13 ILE 30 45.066 6.702 3.291 243 H SER 31 HN SER 31 40.905 8.886 1.396 244 HA SER 31 HA SER 31 40.562 7.528 -1.052 245 HB2 SER 31 HB2 SER 31 38.466 8.513 0.897 246 HB3 SER 31 HB1 SER 31 38.187 7.352 -0.400 247 HG SER 31 HG SER 31 39.870 7.049 1.867 248 H LYS 32 HN LYS 32 39.647 10.760 0.008 249 HA LYS 32 HA LYS 32 38.289 11.340 -2.473 250 HB2 LYS 32 HB2 LYS 32 37.457 12.313 -0.397 251 HB3 LYS 32 HB1 LYS 32 39.002 13.083 -0.101 252 HG2 LYS 32 HG2 LYS 32 37.510 13.757 -2.600 253 HG3 LYS 32 HG1 LYS 32 36.964 14.432 -1.067 254 HD2 LYS 32 HD2 LYS 32 39.778 14.689 -2.144 255 HD3 LYS 32 HD1 LYS 32 38.527 15.919 -2.325 256 HE2 LYS 32 HE2 LYS 32 38.372 16.134 0.101 257 HE3 LYS 32 HE1 LYS 32 39.581 14.872 0.307 258 HZ1 LYS 32 HZ1 LYS 32 41.197 16.276 -0.788 259 HZ2 LYS 32 HZ2 LYS 32 40.538 17.072 0.541 260 HZ3 LYS 32 HZ3 LYS 32 40.042 17.488 -1.020 261 H ARG 33 HN ARG 33 41.340 12.185 -0.923 262 HA ARG 33 HA ARG 33 42.179 14.077 -2.817 263 HB2 ARG 33 HB2 ARG 33 43.159 13.958 -0.617 264 HB3 ARG 33 HB1 ARG 33 43.791 12.355 -0.950 265 HG2 ARG 33 HG2 ARG 33 45.270 13.266 -2.645 266 HG3 ARG 33 HG1 ARG 33 44.606 14.879 -2.370 267 HD2 ARG 33 HD2 ARG 33 45.437 14.910 -0.135 268 HD3 ARG 33 HD1 ARG 33 45.933 13.222 -0.240 269 HE ARG 33 HE ARG 33 47.323 14.376 -2.230 270 HH11 ARG 33 HH11 ARG 33 46.895 15.246 1.131 271 HH12 ARG 33 HH12 ARG 33 48.490 15.896 1.299 272 HH21 ARG 33 HH21 ARG 33 49.440 15.245 -2.013 273 HH22 ARG 33 HH22 ARG 33 49.938 15.899 -0.491 274 H LEU 34 HN LEU 34 43.301 10.695 -2.458 275 HA LEU 34 HA LEU 34 44.569 10.874 -5.062 276 HB2 LEU 34 HB2 LEU 34 44.434 8.636 -3.040 277 HB3 LEU 34 HB1 LEU 34 45.218 8.476 -4.595 278 HG LEU 34 HG LEU 34 46.695 10.445 -3.857 279 HD11 LEU 34 HD11 LEU 34 45.619 9.627 -1.165 280 HD12 LEU 34 HD12 LEU 34 45.355 11.177 -1.964 281 HD13 LEU 34 HD13 LEU 34 46.978 10.714 -1.453 282 HD21 LEU 34 HD21 LEU 34 46.891 7.794 -2.437 283 HD22 LEU 34 HD22 LEU 34 48.205 8.950 -2.646 284 HD23 LEU 34 HD23 LEU 34 47.496 8.158 -4.052 285 H LYS 35 HN LYS 35 41.558 10.122 -3.890 286 HA LYS 35 HA LYS 35 39.712 9.099 -4.655 287 HB2 LYS 35 HB2 LYS 35 40.079 10.616 -6.589 288 HB3 LYS 35 HB1 LYS 35 41.012 9.349 -7.378 289 HG2 LYS 35 HG2 LYS 35 38.991 7.896 -7.290 290 HG3 LYS 35 HG1 LYS 35 38.087 9.277 -6.671 291 HD2 LYS 35 HD2 LYS 35 38.589 10.526 -8.703 292 HD3 LYS 35 HD1 LYS 35 39.532 9.164 -9.315 293 HE2 LYS 35 HE2 LYS 35 37.510 7.761 -9.211 294 HE3 LYS 35 HE1 LYS 35 36.583 9.164 -8.691 295 HZ1 LYS 35 HZ1 LYS 35 37.187 10.243 -10.802 296 HZ2 LYS 35 HZ2 LYS 35 36.299 8.825 -11.023 297 HZ3 LYS 35 HZ3 LYS 35 37.966 8.820 -11.293 298 H VAL 36 HN VAL 36 40.414 7.241 -3.496 299 HA VAL 36 HA VAL 36 41.343 5.044 -5.209 300 HB VAL 36 HB VAL 36 41.319 5.130 -2.183 301 HG11 VAL 36 HG11 VAL 36 42.813 3.193 -2.356 302 HG12 VAL 36 HG12 VAL 36 42.657 3.234 -4.112 303 HG13 VAL 36 HG13 VAL 36 41.250 2.878 -3.111 304 HG21 VAL 36 HG21 VAL 36 42.850 6.819 -3.034 305 HG22 VAL 36 HG22 VAL 36 43.613 5.624 -4.083 306 HG23 VAL 36 HG23 VAL 36 43.750 5.474 -2.331 307 HA PRO 37 HA PRO 37 36.985 3.826 -4.980 308 HB2 PRO 37 HB2 PRO 37 38.114 1.554 -6.535 309 HB3 PRO 37 HB1 PRO 37 36.735 2.594 -6.910 310 HG2 PRO 37 HG2 PRO 37 39.021 2.867 -8.230 311 HG3 PRO 37 HG1 PRO 37 38.071 4.287 -7.761 312 HD2 PRO 37 HD2 PRO 37 40.546 3.167 -6.510 313 HD3 PRO 37 HD1 PRO 37 40.095 4.860 -6.805 314 H ARG 38 HN ARG 38 35.974 2.425 -3.607 315 HA ARG 38 HA ARG 38 37.491 1.134 -1.633 316 HB2 ARG 38 HB2 ARG 38 35.362 0.225 -0.798 317 HB3 ARG 38 HB1 ARG 38 35.269 1.946 -1.131 318 HG2 ARG 38 HG2 ARG 38 34.105 1.493 -3.214 319 HG3 ARG 38 HG1 ARG 38 34.229 -0.242 -2.912 320 HD2 ARG 38 HD2 ARG 38 32.918 0.034 -0.861 321 HD3 ARG 38 HD1 ARG 38 32.782 1.762 -1.186 322 HE ARG 38 HE ARG 38 31.847 0.426 -3.427 323 HH11 ARG 38 HH11 ARG 38 30.958 0.753 -0.046 324 HH12 ARG 38 HH12 ARG 38 29.267 0.521 -0.343 325 HH21 ARG 38 HH21 ARG 38 29.602 0.112 -3.814 326 HH22 ARG 38 HH22 ARG 38 28.496 0.156 -2.482 327 H SER 39 HN SER 39 36.223 -0.033 -4.654 328 HA SER 39 HA SER 39 36.443 -2.789 -4.173 329 HB2 SER 39 HB2 SER 39 36.862 -1.273 -6.766 330 HB3 SER 39 HB1 SER 39 36.555 -3.004 -6.626 331 HG SER 39 HG SER 39 34.531 -2.547 -5.769 332 H SER 40 HN SER 40 38.792 -0.351 -5.149 333 HA SER 40 HA SER 40 40.949 -2.186 -5.505 334 HB2 SER 40 HB2 SER 40 40.888 0.053 -6.597 335 HB3 SER 40 HB1 SER 40 41.030 0.808 -5.010 336 HG SER 40 HG SER 40 42.916 -0.844 -6.332 337 H VAL 41 HN VAL 41 39.720 -0.161 -2.903 338 HA VAL 41 HA VAL 41 41.768 -0.511 -1.033 339 HB VAL 41 HB VAL 41 38.795 -0.179 -0.536 340 HG11 VAL 41 HG11 VAL 41 39.919 -1.058 1.438 341 HG12 VAL 41 HG12 VAL 41 39.428 0.618 1.689 342 HG13 VAL 41 HG13 VAL 41 41.115 0.235 1.347 343 HG21 VAL 41 HG21 VAL 41 39.343 2.188 -0.201 344 HG22 VAL 41 HG22 VAL 41 39.749 1.649 -1.832 345 HG23 VAL 41 HG23 VAL 41 41.022 1.854 -0.628 346 H GLN 42 HN GLN 42 38.790 -2.388 -1.548 347 HA GLN 42 HA GLN 42 39.126 -4.320 0.427 348 HB2 GLN 42 HB2 GLN 42 37.063 -4.120 -0.852 349 HB3 GLN 42 HB1 GLN 42 37.894 -4.611 -2.321 350 HG2 GLN 42 HG2 GLN 42 38.403 -6.790 -1.164 351 HG3 GLN 42 HG1 GLN 42 37.294 -6.280 0.103 352 HE21 GLN 42 HE21 GLN 42 35.497 -4.944 -1.783 353 HE22 GLN 42 HE22 GLN 42 34.653 -6.216 -2.593 354 H THR 43 HN THR 43 40.482 -4.108 -2.789 355 HA THR 43 HA THR 43 41.512 -6.705 -2.988 356 HB THR 43 HB THR 43 42.579 -4.182 -4.284 357 HG1 THR 43 HG1 THR 43 40.302 -4.591 -4.683 358 HG21 THR 43 HG21 THR 43 43.387 -5.707 -6.033 359 HG22 THR 43 HG22 THR 43 42.783 -7.085 -5.115 360 HG23 THR 43 HG23 THR 43 44.101 -6.106 -4.471 361 H ILE 44 HN ILE 44 42.982 -3.693 -1.758 362 HA ILE 44 HA ILE 44 45.448 -5.083 -1.240 363 HB ILE 44 HB ILE 44 46.277 -2.937 -0.283 364 HG12 ILE 44 HG12 ILE 44 44.673 -0.947 -1.115 365 HG13 ILE 44 HG11 ILE 44 43.443 -2.140 -0.714 366 HG21 ILE 44 HG21 ILE 44 46.361 -1.742 -2.421 367 HG22 ILE 44 HG22 ILE 44 45.093 -2.800 -3.044 368 HG23 ILE 44 HG23 ILE 44 46.661 -3.471 -2.594 369 HD11 ILE 44 HD11 ILE 44 43.848 -0.650 1.150 370 HD12 ILE 44 HD12 ILE 44 45.559 -1.080 1.145 371 HD13 ILE 44 HD13 ILE 44 44.347 -2.292 1.555 372 H VAL 45 HN VAL 45 42.719 -3.959 0.718 373 HA VAL 45 HA VAL 45 44.016 -4.369 3.199 374 HB VAL 45 HB VAL 45 41.766 -4.400 4.251 375 HG11 VAL 45 HG11 VAL 45 42.242 -2.197 2.264 376 HG12 VAL 45 HG12 VAL 45 42.871 -2.294 3.909 377 HG13 VAL 45 HG13 VAL 45 41.140 -2.109 3.636 378 HG21 VAL 45 HG21 VAL 45 39.794 -3.941 2.881 379 HG22 VAL 45 HG22 VAL 45 40.510 -5.510 2.500 380 HG23 VAL 45 HG23 VAL 45 40.778 -4.130 1.430 381 H ARG 46 HN ARG 46 42.075 -6.514 1.195 382 HA ARG 46 HA ARG 46 41.936 -8.589 3.108 383 HB2 ARG 46 HB2 ARG 46 40.410 -8.439 1.178 384 HB3 ARG 46 HB1 ARG 46 41.757 -8.773 0.098 385 HG2 ARG 46 HG2 ARG 46 42.032 -10.976 1.103 386 HG3 ARG 46 HG1 ARG 46 40.704 -10.637 2.213 387 HD2 ARG 46 HD2 ARG 46 39.190 -10.387 0.294 388 HD3 ARG 46 HD1 ARG 46 40.523 -10.779 -0.791 389 HE ARG 46 HE ARG 46 40.286 -12.836 1.082 390 HH11 ARG 46 HH11 ARG 46 38.488 -11.467 -1.599 391 HH12 ARG 46 HH12 ARG 46 37.705 -12.952 -2.012 392 HH21 ARG 46 HH21 ARG 46 39.239 -14.824 0.541 393 HH22 ARG 46 HH22 ARG 46 38.130 -14.865 -0.784 394 H LYS 47 HN LYS 47 44.228 -7.741 0.621 395 HA LYS 47 HA LYS 47 45.684 -10.157 0.675 396 HB2 LYS 47 HB2 LYS 47 45.749 -8.537 -1.192 397 HB3 LYS 47 HB1 LYS 47 46.631 -7.417 -0.165 398 HG2 LYS 47 HG2 LYS 47 48.466 -9.026 0.014 399 HG3 LYS 47 HG1 LYS 47 47.580 -10.146 -1.019 400 HD2 LYS 47 HD2 LYS 47 48.506 -7.383 -1.812 401 HD3 LYS 47 HD1 LYS 47 49.291 -8.895 -2.265 402 HE2 LYS 47 HE2 LYS 47 46.505 -8.018 -3.027 403 HE3 LYS 47 HE1 LYS 47 47.909 -8.077 -4.086 404 HZ1 LYS 47 HZ1 LYS 47 46.577 -10.408 -2.806 405 HZ2 LYS 47 HZ2 LYS 47 47.983 -10.493 -3.743 406 HZ3 LYS 47 HZ3 LYS 47 46.533 -9.993 -4.445 407 H TYR 48 HN TYR 48 46.282 -6.989 2.265 408 HA TYR 48 HA TYR 48 48.638 -8.031 3.488 409 HB2 TYR 48 HB2 TYR 48 49.018 -5.928 4.481 410 HB3 TYR 48 HB1 TYR 48 48.287 -5.569 2.932 411 HD1 TYR 48 HD1 TYR 48 47.442 -5.915 6.561 412 HD2 TYR 48 HD2 TYR 48 46.475 -4.087 2.846 413 HE1 TYR 48 HE1 TYR 48 45.825 -4.465 7.706 414 HE2 TYR 48 HE2 TYR 48 44.852 -2.635 3.983 415 HH TYR 48 HH TYR 48 43.486 -2.692 6.075 416 H LYS 49 HN LYS 49 45.290 -7.803 4.502 417 HA LYS 49 HA LYS 49 45.899 -8.247 7.252 418 HB2 LYS 49 HB2 LYS 49 43.580 -8.412 7.661 419 HB3 LYS 49 HB1 LYS 49 43.739 -7.233 6.371 420 HG2 LYS 49 HG2 LYS 49 43.127 -8.987 4.741 421 HG3 LYS 49 HG1 LYS 49 42.891 -10.112 6.081 422 HD2 LYS 49 HD2 LYS 49 41.203 -8.541 7.027 423 HD3 LYS 49 HD1 LYS 49 41.377 -7.546 5.583 424 HE2 LYS 49 HE2 LYS 49 39.431 -8.960 5.354 425 HE3 LYS 49 HE1 LYS 49 40.661 -9.483 4.210 426 HZ1 LYS 49 HZ1 LYS 49 41.262 -11.260 5.733 427 HZ2 LYS 49 HZ2 LYS 49 39.633 -11.355 5.308 428 HZ3 LYS 49 HZ3 LYS 49 40.072 -10.755 6.822 429 H HIS 50 HN HIS 50 45.572 -10.307 4.507 430 HA HIS 50 HA HIS 50 45.086 -12.703 5.993 431 HB2 HIS 50 HB2 HIS 50 44.462 -12.442 3.591 432 HB3 HIS 50 HB1 HIS 50 46.175 -12.434 3.183 433 HD1 HIS 50 HD1 HIS 50 46.738 -14.638 2.177 434 HD2 HIS 50 HD2 HIS 50 44.090 -15.010 5.362 435 HE1 HIS 50 HE1 HIS 50 46.366 -17.101 2.459 436 H HIS 51 HN HIS 51 47.943 -11.163 4.614 437 HA HIS 51 HA HIS 51 49.689 -13.265 5.575 438 HB2 HIS 51 HB2 HIS 51 50.243 -10.589 4.283 439 HB3 HIS 51 HB1 HIS 51 51.519 -11.657 4.848 440 HD1 HIS 51 HD1 HIS 51 52.058 -13.717 3.418 441 HD2 HIS 51 HD2 HIS 51 48.887 -11.455 1.957 442 HE1 HIS 51 HE1 HIS 51 51.634 -14.577 1.101 443 H GLY 52 HN GLY 52 48.757 -10.024 6.522 444 HA2 GLY 52 HA2 GLY 52 50.694 -9.920 8.646 445 HA3 GLY 52 HA1 GLY 52 49.476 -8.716 8.272 446 H THR 53 HN THR 53 48.385 -11.971 8.644 447 HA THR 53 HA THR 53 46.873 -11.287 10.975 448 HB THR 53 HB THR 53 47.393 -14.091 9.951 449 HG1 THR 53 HG1 THR 53 45.983 -12.013 8.777 450 HG21 THR 53 HG21 THR 53 45.154 -14.526 10.870 451 HG22 THR 53 HG22 THR 53 45.052 -12.850 11.406 452 HG23 THR 53 HG23 THR 53 46.256 -13.929 12.111 453 H THR 54 HN THR 54 49.316 -13.796 10.400 454 HA THR 54 HA THR 54 50.448 -13.286 13.068 455 HB THR 54 HB THR 54 50.487 -16.060 11.945 456 HG1 THR 54 HG1 THR 54 48.341 -15.740 11.724 457 HG21 THR 54 HG21 THR 54 51.641 -15.520 14.051 458 HG22 THR 54 HG22 THR 54 50.323 -16.661 14.317 459 HG23 THR 54 HG23 THR 54 50.116 -14.962 14.740 460 H GLN 55 HN GLN 55 51.002 -12.742 10.042 461 HA GLN 55 HA GLN 55 52.797 -12.414 8.721 462 HB2 GLN 55 HB2 GLN 55 54.147 -11.944 10.726 463 HB3 GLN 55 HB1 GLN 55 54.432 -13.663 10.946 464 HG2 GLN 55 HG2 GLN 55 55.733 -13.773 8.951 465 HG3 GLN 55 HG1 GLN 55 55.297 -12.123 8.512 466 HE21 GLN 55 HE21 GLN 55 56.243 -10.417 9.598 467 HE22 GLN 55 HE22 GLN 55 57.660 -10.605 10.568 468 H HIS 56 HN HIS 56 53.182 -15.528 10.373 469 HA HIS 56 HA HIS 56 53.282 -16.780 7.718 470 HB2 HIS 56 HB2 HIS 56 55.263 -17.142 9.249 471 HB3 HIS 56 HB1 HIS 56 54.181 -17.985 10.348 472 HD1 HIS 56 HD1 HIS 56 56.290 -18.485 7.406 473 HD2 HIS 56 HD2 HIS 56 53.100 -20.443 9.212 474 HE1 HIS 56 HE1 HIS 56 56.290 -20.795 6.445 475 H HIS 57 HN HIS 57 50.995 -16.582 7.604 476 HA HIS 57 HA HIS 57 48.888 -17.374 7.669 477 HB2 HIS 57 HB2 HIS 57 49.828 -19.605 7.362 478 HB3 HIS 57 HB1 HIS 57 50.141 -19.743 9.087 479 HD1 HIS 57 HD1 HIS 57 47.126 -19.281 6.801 480 HD2 HIS 57 HD2 HIS 57 48.167 -21.046 10.417 481 HE1 HIS 57 HE1 HIS 57 45.071 -20.495 7.570 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 43.215 -1.314 -19.535 2 H2 ALA 1 HT2 ALA 1 43.303 -0.915 -17.895 3 H3 ALA 1 HT3 ALA 1 41.955 -1.735 -18.490 4 HA ALA 1 HA ALA 1 43.378 -3.229 -17.292 5 HB1 ALA 1 HB1 ALA 1 43.417 -3.738 -20.262 6 HB2 ALA 1 HB2 ALA 1 42.056 -4.052 -19.187 7 HB3 ALA 1 HB3 ALA 1 43.561 -4.947 -18.987 8 H SER 2 HN SER 2 45.070 -0.823 -18.649 9 HA SER 2 HA SER 2 47.520 -2.229 -19.210 10 HB2 SER 2 HB2 SER 2 47.031 0.739 -18.894 11 HB3 SER 2 HB1 SER 2 48.459 -0.018 -19.600 12 HG SER 2 HG SER 2 46.341 -0.999 -20.850 13 H MET 3 HN MET 3 46.100 -0.425 -16.567 14 HA MET 3 HA MET 3 46.591 -0.227 -14.374 15 HB2 MET 3 HB2 MET 3 48.624 -2.381 -14.961 16 HB3 MET 3 HB1 MET 3 48.331 -1.737 -13.353 17 HG2 MET 3 HG2 MET 3 46.314 -3.138 -15.090 18 HG3 MET 3 HG1 MET 3 47.160 -3.837 -13.711 19 HE1 MET 3 HE1 MET 3 43.516 -3.494 -12.359 20 HE2 MET 3 HE2 MET 3 44.889 -4.575 -12.592 21 HE3 MET 3 HE3 MET 3 44.023 -3.936 -13.989 22 H GLY 4 HN GLY 4 49.748 -0.672 -15.939 23 HA2 GLY 4 HA2 GLY 4 51.278 1.108 -16.309 24 HA3 GLY 4 HA1 GLY 4 50.475 2.023 -15.037 25 H LYS 5 HN LYS 5 53.158 1.877 -14.969 26 HA LYS 5 HA LYS 5 53.701 -0.121 -12.883 27 HB2 LYS 5 HB2 LYS 5 55.622 1.221 -14.789 28 HB3 LYS 5 HB1 LYS 5 56.090 0.123 -13.499 29 HG2 LYS 5 HG2 LYS 5 54.760 -1.647 -14.554 30 HG3 LYS 5 HG1 LYS 5 54.373 -0.544 -15.875 31 HD2 LYS 5 HD2 LYS 5 56.736 -0.379 -16.436 32 HD3 LYS 5 HD1 LYS 5 57.142 -1.437 -15.083 33 HE2 LYS 5 HE2 LYS 5 55.487 -2.154 -17.499 34 HE3 LYS 5 HE1 LYS 5 57.124 -2.707 -17.148 35 HZ1 LYS 5 HZ1 LYS 5 56.269 -3.829 -15.175 36 HZ2 LYS 5 HZ2 LYS 5 55.502 -4.389 -16.573 37 HZ3 LYS 5 HZ3 LYS 5 54.698 -3.321 -15.543 38 H SER 6 HN SER 6 53.756 0.679 -10.933 39 HA SER 6 HA SER 6 54.165 1.993 -9.141 40 HB2 SER 6 HB2 SER 6 56.469 2.132 -10.035 41 HB3 SER 6 HB1 SER 6 56.004 3.531 -11.001 42 HG SER 6 HG SER 6 55.441 4.547 -8.958 43 H LYS 7 HN LYS 7 52.246 2.744 -11.454 44 HA LYS 7 HA LYS 7 51.847 5.563 -10.817 45 HB2 LYS 7 HB2 LYS 7 50.656 3.781 -12.936 46 HB3 LYS 7 HB1 LYS 7 50.109 5.427 -12.644 47 HG2 LYS 7 HG2 LYS 7 52.284 6.300 -13.206 48 HG3 LYS 7 HG1 LYS 7 52.929 4.666 -13.372 49 HD2 LYS 7 HD2 LYS 7 51.488 4.241 -15.252 50 HD3 LYS 7 HD1 LYS 7 50.685 5.797 -15.033 51 HE2 LYS 7 HE2 LYS 7 53.622 5.488 -15.640 52 HE3 LYS 7 HE1 LYS 7 52.388 5.740 -16.871 53 HZ1 LYS 7 HZ1 LYS 7 53.031 7.593 -14.642 54 HZ2 LYS 7 HZ2 LYS 7 51.808 7.827 -15.787 55 HZ3 LYS 7 HZ3 LYS 7 53.424 7.812 -16.271 56 H GLU 8 HN GLU 8 50.009 2.525 -10.887 57 HA GLU 8 HA GLU 8 47.945 3.765 -9.258 58 HB2 GLU 8 HB2 GLU 8 48.122 1.034 -10.534 59 HB3 GLU 8 HB1 GLU 8 46.778 1.564 -9.533 60 HG2 GLU 8 HG2 GLU 8 47.652 2.792 -12.135 61 HG3 GLU 8 HG1 GLU 8 46.235 1.775 -11.877 62 H ILE 9 HN ILE 9 49.714 0.681 -9.105 63 HA ILE 9 HA ILE 9 49.542 0.883 -6.184 64 HB ILE 9 HB ILE 9 50.160 -1.584 -7.833 65 HG12 ILE 9 HG12 ILE 9 47.578 -0.800 -6.451 66 HG13 ILE 9 HG11 ILE 9 47.847 -0.752 -8.190 67 HG21 ILE 9 HG21 ILE 9 51.094 -1.651 -5.574 68 HG22 ILE 9 HG22 ILE 9 49.760 -2.794 -5.730 69 HG23 ILE 9 HG23 ILE 9 49.513 -1.260 -4.897 70 HD11 ILE 9 HD11 ILE 9 47.896 -3.218 -6.462 71 HD12 ILE 9 HD12 ILE 9 48.166 -3.174 -8.203 72 HD13 ILE 9 HD13 ILE 9 46.593 -2.728 -7.545 73 H SER 10 HN SER 10 51.301 2.183 -5.793 74 HA SER 10 HA SER 10 53.900 1.286 -6.749 75 HB2 SER 10 HB2 SER 10 54.686 3.429 -5.673 76 HB3 SER 10 HB1 SER 10 53.528 3.645 -6.986 77 HG SER 10 HG SER 10 52.385 4.696 -5.608 78 H GLN 11 HN GLN 11 55.700 1.309 -5.115 79 HA GLN 11 HA GLN 11 55.158 -0.492 -3.036 80 HB2 GLN 11 HB2 GLN 11 57.389 -0.193 -4.089 81 HB3 GLN 11 HB1 GLN 11 57.528 1.371 -3.301 82 HG2 GLN 11 HG2 GLN 11 57.457 0.285 -1.117 83 HG3 GLN 11 HG1 GLN 11 57.296 -1.283 -1.902 84 HE21 GLN 11 HE21 GLN 11 59.348 1.265 -3.113 85 HE22 GLN 11 HE22 GLN 11 60.844 0.480 -2.759 86 H ASP 12 HN ASP 12 55.523 3.000 -3.104 87 HA ASP 12 HA ASP 12 55.359 3.458 -0.326 88 HB2 ASP 12 HB2 ASP 12 54.903 5.178 -2.738 89 HB3 ASP 12 HB1 ASP 12 54.505 5.781 -1.136 90 H LEU 13 HN LEU 13 52.873 3.697 -2.869 91 HA LEU 13 HA LEU 13 50.776 4.445 -1.195 92 HB2 LEU 13 HB2 LEU 13 50.752 4.576 -3.677 93 HB3 LEU 13 HB1 LEU 13 50.575 2.838 -3.745 94 HG LEU 13 HG LEU 13 48.518 4.447 -2.269 95 HD11 LEU 13 HD11 LEU 13 48.600 4.062 -5.256 96 HD12 LEU 13 HD12 LEU 13 48.787 5.596 -4.404 97 HD13 LEU 13 HD13 LEU 13 47.253 4.728 -4.334 98 HD21 LEU 13 HD21 LEU 13 47.045 2.651 -3.043 99 HD22 LEU 13 HD22 LEU 13 48.431 1.999 -2.167 100 HD23 LEU 13 HD23 LEU 13 48.387 1.925 -3.929 101 H ARG 14 HN ARG 14 51.786 1.197 -2.215 102 HA ARG 14 HA ARG 14 49.703 -0.192 -0.943 103 HB2 ARG 14 HB2 ARG 14 51.130 -1.218 -2.641 104 HB3 ARG 14 HB1 ARG 14 52.511 -1.121 -1.559 105 HG2 ARG 14 HG2 ARG 14 51.533 -2.725 -0.068 106 HG3 ARG 14 HG1 ARG 14 50.024 -2.722 -0.985 107 HD2 ARG 14 HD2 ARG 14 51.444 -4.684 -1.481 108 HD3 ARG 14 HD1 ARG 14 51.137 -3.680 -2.898 109 HE ARG 14 HE ARG 14 53.614 -3.278 -1.397 110 HH11 ARG 14 HH11 ARG 14 52.031 -4.495 -4.284 111 HH12 ARG 14 HH12 ARG 14 53.478 -4.508 -5.228 112 HH21 ARG 14 HH21 ARG 14 55.533 -3.306 -2.637 113 HH22 ARG 14 HH22 ARG 14 55.486 -3.844 -4.286 114 H LYS 15 HN LYS 15 52.824 0.905 0.259 115 HA LYS 15 HA LYS 15 52.610 -0.445 2.763 116 HB2 LYS 15 HB2 LYS 15 54.382 1.724 1.702 117 HB3 LYS 15 HB1 LYS 15 54.395 1.325 3.413 118 HG2 LYS 15 HG2 LYS 15 54.995 -0.971 2.880 119 HG3 LYS 15 HG1 LYS 15 54.958 -0.579 1.160 120 HD2 LYS 15 HD2 LYS 15 56.837 0.815 1.326 121 HD3 LYS 15 HD1 LYS 15 56.718 0.911 3.084 122 HE2 LYS 15 HE2 LYS 15 57.370 -1.585 1.523 123 HE3 LYS 15 HE1 LYS 15 58.558 -0.551 2.313 124 HZ1 LYS 15 HZ1 LYS 15 57.529 -1.034 4.439 125 HZ2 LYS 15 HZ2 LYS 15 57.978 -2.470 3.680 126 HZ3 LYS 15 HZ3 LYS 15 56.357 -1.999 3.701 127 H LYS 16 HN LYS 16 52.058 2.889 1.717 128 HA LYS 16 HA LYS 16 51.375 3.842 4.282 129 HB2 LYS 16 HB2 LYS 16 50.733 4.975 1.562 130 HB3 LYS 16 HB1 LYS 16 50.470 5.818 3.081 131 HG2 LYS 16 HG2 LYS 16 53.126 4.923 1.973 132 HG3 LYS 16 HG1 LYS 16 52.514 6.577 2.029 133 HD2 LYS 16 HD2 LYS 16 52.489 6.480 4.481 134 HD3 LYS 16 HD1 LYS 16 53.100 4.827 4.422 135 HE2 LYS 16 HE2 LYS 16 54.930 6.317 4.872 136 HE3 LYS 16 HE1 LYS 16 55.113 5.659 3.247 137 HZ1 LYS 16 HZ1 LYS 16 54.116 8.360 3.972 138 HZ2 LYS 16 HZ2 LYS 16 54.112 7.736 2.402 139 HZ3 LYS 16 HZ3 LYS 16 55.578 7.985 3.204 140 H ILE 17 HN ILE 17 49.380 2.609 1.611 141 HA ILE 17 HA ILE 17 46.907 3.352 2.679 142 HB ILE 17 HB ILE 17 47.226 2.485 0.346 143 HG12 ILE 17 HG12 ILE 17 45.087 1.218 0.239 144 HG13 ILE 17 HG11 ILE 17 45.102 1.101 1.993 145 HG21 ILE 17 HG21 ILE 17 47.173 0.066 -0.047 146 HG22 ILE 17 HG22 ILE 17 47.323 -0.204 1.689 147 HG23 ILE 17 HG23 ILE 17 48.632 0.576 0.803 148 HD11 ILE 17 HD11 ILE 17 43.617 2.862 1.194 149 HD12 ILE 17 HD12 ILE 17 44.982 3.659 0.413 150 HD13 ILE 17 HD13 ILE 17 44.930 3.516 2.169 151 H VAL 18 HN VAL 18 48.943 0.570 3.385 152 HA VAL 18 HA VAL 18 47.073 -0.847 4.960 153 HB VAL 18 HB VAL 18 50.102 -0.833 5.113 154 HG11 VAL 18 HG11 VAL 18 48.134 -2.783 6.312 155 HG12 VAL 18 HG12 VAL 18 49.139 -1.641 7.205 156 HG13 VAL 18 HG13 VAL 18 49.888 -2.962 6.309 157 HG21 VAL 18 HG21 VAL 18 48.182 -2.724 3.755 158 HG22 VAL 18 HG22 VAL 18 49.929 -2.938 3.855 159 HG23 VAL 18 HG23 VAL 18 49.258 -1.576 2.957 160 H ASP 19 HN ASP 19 49.626 1.474 5.820 161 HA ASP 19 HA ASP 19 49.060 1.481 8.593 162 HB2 ASP 19 HB2 ASP 19 50.591 3.355 6.818 163 HB3 ASP 19 HB1 ASP 19 50.346 3.700 8.527 164 H LEU 20 HN LEU 20 47.805 3.344 5.921 165 HA LEU 20 HA LEU 20 46.453 5.262 7.504 166 HB2 LEU 20 HB2 LEU 20 45.820 4.283 4.719 167 HB3 LEU 20 HB1 LEU 20 45.117 5.703 5.470 168 HG LEU 20 HG LEU 20 48.034 5.333 4.778 169 HD11 LEU 20 HD11 LEU 20 45.945 7.119 3.565 170 HD12 LEU 20 HD12 LEU 20 46.604 5.657 2.831 171 HD13 LEU 20 HD13 LEU 20 47.647 7.051 3.115 172 HD21 LEU 20 HD21 LEU 20 47.786 6.694 6.777 173 HD22 LEU 20 HD22 LEU 20 46.593 7.704 5.961 174 HD23 LEU 20 HD23 LEU 20 48.267 7.695 5.407 175 H HIS 21 HN HIS 21 45.608 2.048 6.359 176 HA HIS 21 HA HIS 21 42.901 2.175 7.300 177 HB2 HIS 21 HB2 HIS 21 44.674 -0.033 6.333 178 HB3 HIS 21 HB1 HIS 21 43.187 -0.434 7.189 179 HD1 HIS 21 HD1 HIS 21 40.926 0.604 6.101 180 HD2 HIS 21 HD2 HIS 21 44.307 0.516 3.687 181 HE1 HIS 21 HE1 HIS 21 40.096 1.003 3.773 182 H LYS 22 HN LYS 22 45.954 1.427 8.682 183 HA LYS 22 HA LYS 22 44.915 0.231 11.071 184 HB2 LYS 22 HB2 LYS 22 47.627 1.327 10.325 185 HB3 LYS 22 HB1 LYS 22 47.278 0.599 11.888 186 HG2 LYS 22 HG2 LYS 22 47.026 -1.518 10.997 187 HG3 LYS 22 HG1 LYS 22 46.689 -0.908 9.377 188 HD2 LYS 22 HD2 LYS 22 48.904 -1.961 9.558 189 HD3 LYS 22 HD1 LYS 22 48.997 -0.268 9.096 190 HE2 LYS 22 HE2 LYS 22 49.443 0.284 11.498 191 HE3 LYS 22 HE1 LYS 22 49.511 -1.446 11.827 192 HZ1 LYS 22 HZ1 LYS 22 51.316 0.102 10.043 193 HZ2 LYS 22 HZ2 LYS 22 51.343 -1.583 10.192 194 HZ3 LYS 22 HZ3 LYS 22 51.715 -0.612 11.525 195 H SER 23 HN SER 23 44.903 3.289 9.860 196 HA SER 23 HA SER 23 44.834 4.543 12.505 197 HB2 SER 23 HB2 SER 23 44.969 5.859 9.781 198 HB3 SER 23 HB1 SER 23 45.124 6.662 11.345 199 HG SER 23 HG SER 23 46.894 4.777 10.168 200 H GLY 24 HN GLY 24 43.043 4.109 9.482 201 HA2 GLY 24 HA2 GLY 24 40.746 3.813 9.255 202 HA3 GLY 24 HA1 GLY 24 40.546 4.253 10.941 203 H SER 25 HN SER 25 41.256 6.672 11.304 204 HA SER 25 HA SER 25 39.304 8.204 9.931 205 HB2 SER 25 HB2 SER 25 40.363 10.105 11.292 206 HB3 SER 25 HB1 SER 25 39.644 8.765 12.186 207 HG SER 25 HG SER 25 41.545 8.202 12.895 208 H SER 26 HN SER 26 42.371 7.372 8.989 209 HA SER 26 HA SER 26 43.048 9.852 7.675 210 HB2 SER 26 HB2 SER 26 44.352 7.136 7.440 211 HB3 SER 26 HB1 SER 26 45.035 8.684 6.937 212 HG SER 26 HG SER 26 45.056 9.335 9.086 213 H LEU 27 HN LEU 27 40.998 7.296 7.006 214 HA LEU 27 HA LEU 27 41.453 6.923 4.231 215 HB2 LEU 27 HB2 LEU 27 40.246 5.287 5.587 216 HB3 LEU 27 HB1 LEU 27 38.967 6.446 5.878 217 HG LEU 27 HG LEU 27 38.445 6.425 3.446 218 HD11 LEU 27 HD11 LEU 27 40.596 5.758 2.570 219 HD12 LEU 27 HD12 LEU 27 39.358 4.606 2.071 220 HD13 LEU 27 HD13 LEU 27 40.471 4.196 3.377 221 HD21 LEU 27 HD21 LEU 27 37.194 5.035 5.007 222 HD22 LEU 27 HD22 LEU 27 38.376 3.741 4.817 223 HD23 LEU 27 HD23 LEU 27 37.375 4.228 3.450 224 H GLY 28 HN GLY 28 39.426 9.114 6.081 225 HA2 GLY 28 HA2 GLY 28 37.817 10.115 4.045 226 HA3 GLY 28 HA1 GLY 28 38.288 11.010 5.482 227 H ALA 29 HN ALA 29 40.998 11.232 5.104 228 HA ALA 29 HA ALA 29 41.186 13.465 3.439 229 HB1 ALA 29 HB1 ALA 29 43.607 13.319 3.826 230 HB2 ALA 29 HB2 ALA 29 43.390 11.715 4.523 231 HB3 ALA 29 HB3 ALA 29 42.684 13.124 5.315 232 H ILE 30 HN ILE 30 42.603 10.220 2.944 233 HA ILE 30 HA ILE 30 43.579 10.827 0.374 234 HB ILE 30 HB ILE 30 43.838 8.382 0.052 235 HG12 ILE 30 HG12 ILE 30 42.640 8.176 2.826 236 HG13 ILE 30 HG11 ILE 30 41.819 7.704 1.343 237 HG21 ILE 30 HG21 ILE 30 44.806 9.439 2.705 238 HG22 ILE 30 HG22 ILE 30 45.563 9.723 1.137 239 HG23 ILE 30 HG23 ILE 30 45.506 8.093 1.805 240 HD11 ILE 30 HD11 ILE 30 44.353 6.483 2.414 241 HD12 ILE 30 HD12 ILE 30 43.506 5.995 0.947 242 HD13 ILE 30 HD13 ILE 30 42.740 5.782 2.520 243 H SER 31 HN SER 31 40.458 9.684 1.435 244 HA SER 31 HA SER 31 39.567 8.754 -1.077 245 HB2 SER 31 HB2 SER 31 38.490 8.179 1.099 246 HB3 SER 31 HB1 SER 31 37.888 9.833 1.204 247 HG SER 31 HG SER 31 36.406 8.224 0.311 248 H LYS 32 HN LYS 32 39.430 11.940 0.482 249 HA LYS 32 HA LYS 32 37.864 12.992 -1.702 250 HB2 LYS 32 HB2 LYS 32 38.015 15.159 -0.496 251 HB3 LYS 32 HB1 LYS 32 37.324 13.856 0.455 252 HG2 LYS 32 HG2 LYS 32 39.527 13.562 1.556 253 HG3 LYS 32 HG1 LYS 32 40.110 14.974 0.673 254 HD2 LYS 32 HD2 LYS 32 37.697 15.021 2.477 255 HD3 LYS 32 HD1 LYS 32 39.324 15.410 3.029 256 HE2 LYS 32 HE2 LYS 32 37.858 16.825 0.799 257 HE3 LYS 32 HE1 LYS 32 37.997 17.413 2.454 258 HZ1 LYS 32 HZ1 LYS 32 40.242 16.976 0.560 259 HZ2 LYS 32 HZ2 LYS 32 40.408 17.467 2.172 260 HZ3 LYS 32 HZ3 LYS 32 39.625 18.466 1.065 261 H ARG 33 HN ARG 33 41.244 13.022 -0.748 262 HA ARG 33 HA ARG 33 41.797 15.019 -2.789 263 HB2 ARG 33 HB2 ARG 33 44.073 15.087 -1.967 264 HB3 ARG 33 HB1 ARG 33 42.953 15.209 -0.626 265 HG2 ARG 33 HG2 ARG 33 43.343 12.880 -0.057 266 HG3 ARG 33 HG1 ARG 33 44.427 12.711 -1.438 267 HD2 ARG 33 HD2 ARG 33 44.839 14.587 0.888 268 HD3 ARG 33 HD1 ARG 33 45.632 13.027 0.690 269 HE ARG 33 HE ARG 33 46.042 14.772 -1.548 270 HH11 ARG 33 HH11 ARG 33 47.190 13.929 1.660 271 HH12 ARG 33 HH12 ARG 33 48.758 14.623 1.419 272 HH21 ARG 33 HH21 ARG 33 48.152 15.666 -1.868 273 HH22 ARG 33 HH22 ARG 33 49.307 15.591 -0.582 274 H LEU 34 HN LEU 34 42.707 11.622 -2.168 275 HA LEU 34 HA LEU 34 44.023 11.550 -4.776 276 HB2 LEU 34 HB2 LEU 34 45.254 10.718 -2.827 277 HB3 LEU 34 HB1 LEU 34 43.996 9.538 -2.530 278 HG LEU 34 HG LEU 34 44.543 8.484 -4.728 279 HD11 LEU 34 HD11 LEU 34 46.677 9.042 -5.784 280 HD12 LEU 34 HD12 LEU 34 46.877 10.389 -4.665 281 HD13 LEU 34 HD13 LEU 34 45.552 10.399 -5.828 282 HD21 LEU 34 HD21 LEU 34 45.424 7.584 -2.643 283 HD22 LEU 34 HD22 LEU 34 46.803 8.679 -2.739 284 HD23 LEU 34 HD23 LEU 34 46.599 7.411 -3.947 285 H LYS 35 HN LYS 35 41.129 10.545 -3.237 286 HA LYS 35 HA LYS 35 39.566 8.964 -3.661 287 HB2 LYS 35 HB2 LYS 35 38.415 9.254 -5.858 288 HB3 LYS 35 HB1 LYS 35 38.679 10.747 -4.991 289 HG2 LYS 35 HG2 LYS 35 40.515 9.855 -7.203 290 HG3 LYS 35 HG1 LYS 35 39.020 10.724 -7.532 291 HD2 LYS 35 HD2 LYS 35 41.353 11.700 -5.873 292 HD3 LYS 35 HD1 LYS 35 40.888 12.276 -7.473 293 HE2 LYS 35 HE2 LYS 35 38.715 13.014 -6.498 294 HE3 LYS 35 HE1 LYS 35 39.326 12.559 -4.910 295 HZ1 LYS 35 HZ1 LYS 35 41.180 14.139 -5.287 296 HZ2 LYS 35 HZ2 LYS 35 39.662 14.872 -5.193 297 HZ3 LYS 35 HZ3 LYS 35 40.405 14.662 -6.696 298 H VAL 36 HN VAL 36 41.272 7.378 -3.309 299 HA VAL 36 HA VAL 36 42.326 5.908 -5.496 300 HB VAL 36 HB VAL 36 43.507 5.941 -3.373 301 HG11 VAL 36 HG11 VAL 36 41.112 4.541 -2.203 302 HG12 VAL 36 HG12 VAL 36 41.648 6.183 -1.850 303 HG13 VAL 36 HG13 VAL 36 42.645 4.808 -1.374 304 HG21 VAL 36 HG21 VAL 36 43.870 3.964 -4.719 305 HG22 VAL 36 HG22 VAL 36 42.462 3.181 -4.005 306 HG23 VAL 36 HG23 VAL 36 43.878 3.522 -3.012 307 HA PRO 37 HA PRO 37 38.788 3.469 -6.656 308 HB2 PRO 37 HB2 PRO 37 40.253 1.237 -7.486 309 HB3 PRO 37 HB1 PRO 37 39.835 2.624 -8.495 310 HG2 PRO 37 HG2 PRO 37 42.371 2.033 -7.036 311 HG3 PRO 37 HG1 PRO 37 42.138 2.784 -8.625 312 HD2 PRO 37 HD2 PRO 37 42.762 4.246 -6.486 313 HD3 PRO 37 HD1 PRO 37 41.625 4.855 -7.707 314 H ARG 38 HN ARG 38 37.506 2.366 -5.345 315 HA ARG 38 HA ARG 38 38.349 1.247 -2.916 316 HB2 ARG 38 HB2 ARG 38 36.048 0.293 -2.775 317 HB3 ARG 38 HB1 ARG 38 36.097 2.018 -3.101 318 HG2 ARG 38 HG2 ARG 38 35.532 1.679 -5.389 319 HG3 ARG 38 HG1 ARG 38 35.737 -0.067 -5.238 320 HD2 ARG 38 HD2 ARG 38 33.368 0.673 -5.238 321 HD3 ARG 38 HD1 ARG 38 33.834 -0.229 -3.799 322 HE ARG 38 HE ARG 38 34.084 2.060 -2.740 323 HH11 ARG 38 HH11 ARG 38 31.815 1.448 -5.343 324 HH12 ARG 38 HH12 ARG 38 30.695 2.656 -4.813 325 HH21 ARG 38 HH21 ARG 38 32.598 3.640 -2.037 326 HH22 ARG 38 HH22 ARG 38 31.140 3.906 -2.937 327 H SER 39 HN SER 39 38.019 -0.160 -6.082 328 HA SER 39 HA SER 39 37.904 -2.866 -5.388 329 HB2 SER 39 HB2 SER 39 38.913 -3.228 -7.672 330 HB3 SER 39 HB1 SER 39 37.481 -2.197 -7.659 331 HG SER 39 HG SER 39 39.781 -1.610 -8.692 332 H SER 40 HN SER 40 40.600 -0.636 -5.645 333 HA SER 40 HA SER 40 42.579 -2.681 -5.220 334 HB2 SER 40 HB2 SER 40 43.076 -0.651 -6.563 335 HB3 SER 40 HB1 SER 40 42.860 0.337 -5.119 336 HG SER 40 HG SER 40 44.567 -1.460 -4.391 337 H VAL 41 HN VAL 41 40.860 -0.286 -3.341 338 HA VAL 41 HA VAL 41 42.380 -0.404 -0.983 339 HB VAL 41 HB VAL 41 39.432 0.200 -1.327 340 HG11 VAL 41 HG11 VAL 41 39.590 1.353 0.824 341 HG12 VAL 41 HG12 VAL 41 41.258 0.804 0.994 342 HG13 VAL 41 HG13 VAL 41 39.940 -0.368 0.985 343 HG21 VAL 41 HG21 VAL 41 40.851 1.695 -2.615 344 HG22 VAL 41 HG22 VAL 41 41.823 2.033 -1.183 345 HG23 VAL 41 HG23 VAL 41 40.138 2.548 -1.246 346 H GLN 42 HN GLN 42 39.392 -2.116 -1.880 347 HA GLN 42 HA GLN 42 39.192 -3.534 0.556 348 HB2 GLN 42 HB2 GLN 42 37.971 -4.307 -2.092 349 HB3 GLN 42 HB1 GLN 42 37.437 -4.814 -0.498 350 HG2 GLN 42 HG2 GLN 42 37.310 -2.033 -1.649 351 HG3 GLN 42 HG1 GLN 42 35.958 -3.120 -1.346 352 HE21 GLN 42 HE21 GLN 42 37.031 -4.001 1.233 353 HE22 GLN 42 HE22 GLN 42 36.767 -2.692 2.327 354 H THR 43 HN THR 43 40.889 -4.291 -2.437 355 HA THR 43 HA THR 43 41.227 -7.036 -1.689 356 HB THR 43 HB THR 43 41.278 -6.332 -4.091 357 HG1 THR 43 HG1 THR 43 43.471 -7.533 -4.394 358 HG21 THR 43 HG21 THR 43 42.616 -4.287 -3.849 359 HG22 THR 43 HG22 THR 43 43.347 -5.393 -5.010 360 HG23 THR 43 HG23 THR 43 44.013 -5.255 -3.384 361 H ILE 44 HN ILE 44 42.927 -4.081 -1.056 362 HA ILE 44 HA ILE 44 45.349 -5.389 -0.235 363 HB ILE 44 HB ILE 44 44.409 -2.537 0.129 364 HG12 ILE 44 HG12 ILE 44 44.933 -3.135 -2.185 365 HG13 ILE 44 HG11 ILE 44 46.134 -2.019 -1.549 366 HG21 ILE 44 HG21 ILE 44 45.886 -3.100 1.971 367 HG22 ILE 44 HG22 ILE 44 46.705 -2.015 0.845 368 HG23 ILE 44 HG23 ILE 44 47.085 -3.736 0.844 369 HD11 ILE 44 HD11 ILE 44 47.660 -3.915 -1.181 370 HD12 ILE 44 HD12 ILE 44 47.198 -3.729 -2.873 371 HD13 ILE 44 HD13 ILE 44 46.460 -4.995 -1.894 372 H VAL 45 HN VAL 45 42.496 -4.042 1.382 373 HA VAL 45 HA VAL 45 43.474 -4.263 3.994 374 HB VAL 45 HB VAL 45 41.139 -4.193 4.781 375 HG11 VAL 45 HG11 VAL 45 41.729 -2.298 2.527 376 HG12 VAL 45 HG12 VAL 45 42.255 -2.132 4.203 377 HG13 VAL 45 HG13 VAL 45 40.540 -2.041 3.803 378 HG21 VAL 45 HG21 VAL 45 40.442 -4.421 1.867 379 HG22 VAL 45 HG22 VAL 45 39.310 -3.995 3.150 380 HG23 VAL 45 HG23 VAL 45 40.066 -5.592 3.132 381 H ARG 46 HN ARG 46 41.786 -6.637 2.013 382 HA ARG 46 HA ARG 46 41.717 -8.564 4.133 383 HB2 ARG 46 HB2 ARG 46 40.892 -10.132 2.423 384 HB3 ARG 46 HB1 ARG 46 40.003 -8.620 2.396 385 HG2 ARG 46 HG2 ARG 46 40.295 -8.996 0.155 386 HG3 ARG 46 HG1 ARG 46 41.708 -8.001 0.503 387 HD2 ARG 46 HD2 ARG 46 42.998 -10.144 0.823 388 HD3 ARG 46 HD1 ARG 46 41.589 -10.998 0.196 389 HE ARG 46 HE ARG 46 42.537 -8.886 -1.512 390 HH11 ARG 46 HH11 ARG 46 42.857 -12.284 -0.702 391 HH12 ARG 46 HH12 ARG 46 43.543 -12.710 -2.231 392 HH21 ARG 46 HH21 ARG 46 43.429 -9.449 -3.532 393 HH22 ARG 46 HH22 ARG 46 43.875 -11.096 -3.847 394 H LYS 47 HN LYS 47 44.025 -7.566 1.826 395 HA LYS 47 HA LYS 47 45.431 -10.073 1.784 396 HB2 LYS 47 HB2 LYS 47 45.340 -8.495 -0.168 397 HB3 LYS 47 HB1 LYS 47 46.393 -7.418 0.739 398 HG2 LYS 47 HG2 LYS 47 48.098 -9.162 0.828 399 HG3 LYS 47 HG1 LYS 47 47.045 -10.231 -0.098 400 HD2 LYS 47 HD2 LYS 47 47.058 -8.540 -1.928 401 HD3 LYS 47 HD1 LYS 47 48.250 -7.621 -1.004 402 HE2 LYS 47 HE2 LYS 47 48.556 -10.425 -2.072 403 HE3 LYS 47 HE1 LYS 47 49.377 -8.979 -2.655 404 HZ1 LYS 47 HZ1 LYS 47 50.471 -8.793 -0.501 405 HZ2 LYS 47 HZ2 LYS 47 50.812 -10.274 -1.239 406 HZ3 LYS 47 HZ3 LYS 47 49.701 -10.204 0.029 407 H TYR 48 HN TYR 48 46.004 -6.817 3.165 408 HA TYR 48 HA TYR 48 48.515 -7.537 4.235 409 HB2 TYR 48 HB2 TYR 48 48.604 -5.446 5.322 410 HB3 TYR 48 HB1 TYR 48 47.676 -5.146 3.867 411 HD1 TYR 48 HD1 TYR 48 47.253 -5.835 7.522 412 HD2 TYR 48 HD2 TYR 48 45.629 -4.016 4.038 413 HE1 TYR 48 HE1 TYR 48 45.516 -4.779 8.895 414 HE2 TYR 48 HE2 TYR 48 43.878 -2.956 5.413 415 HH TYR 48 HH TYR 48 43.994 -2.968 8.858 416 H LYS 49 HN LYS 49 45.269 -7.886 5.479 417 HA LYS 49 HA LYS 49 46.068 -8.435 8.136 418 HB2 LYS 49 HB2 LYS 49 43.833 -9.377 8.469 419 HB3 LYS 49 HB1 LYS 49 43.760 -7.833 7.640 420 HG2 LYS 49 HG2 LYS 49 43.334 -8.931 5.541 421 HG3 LYS 49 HG1 LYS 49 43.555 -10.514 6.290 422 HD2 LYS 49 HD2 LYS 49 41.189 -10.025 6.041 423 HD3 LYS 49 HD1 LYS 49 41.625 -10.078 7.747 424 HE2 LYS 49 HE2 LYS 49 41.775 -7.602 7.740 425 HE3 LYS 49 HE1 LYS 49 41.224 -7.602 6.066 426 HZ1 LYS 49 HZ1 LYS 49 39.710 -8.618 8.405 427 HZ2 LYS 49 HZ2 LYS 49 39.168 -8.663 6.807 428 HZ3 LYS 49 HZ3 LYS 49 39.409 -7.180 7.573 429 H HIS 50 HN HIS 50 45.617 -10.479 5.291 430 HA HIS 50 HA HIS 50 46.081 -12.929 6.665 431 HB2 HIS 50 HB2 HIS 50 46.249 -12.165 3.750 432 HB3 HIS 50 HB1 HIS 50 46.649 -13.783 4.312 433 HD1 HIS 50 HD1 HIS 50 44.091 -12.521 2.559 434 HD2 HIS 50 HD2 HIS 50 44.130 -14.305 6.311 435 HE1 HIS 50 HE1 HIS 50 41.763 -13.389 2.907 436 H HIS 51 HN HIS 51 48.123 -10.574 5.091 437 HA HIS 51 HA HIS 51 50.529 -12.097 5.291 438 HB2 HIS 51 HB2 HIS 51 50.249 -10.282 3.629 439 HB3 HIS 51 HB1 HIS 51 50.132 -9.109 4.930 440 HD1 HIS 51 HD1 HIS 51 52.573 -10.985 2.874 441 HD2 HIS 51 HD2 HIS 51 52.618 -8.568 6.256 442 HE1 HIS 51 HE1 HIS 51 54.980 -10.368 3.228 443 H GLY 52 HN GLY 52 48.684 -10.240 7.480 444 HA2 GLY 52 HA2 GLY 52 50.950 -9.763 9.241 445 HA3 GLY 52 HA1 GLY 52 49.323 -9.148 9.457 446 H THR 53 HN THR 53 47.987 -11.682 9.161 447 HA THR 53 HA THR 53 48.519 -12.611 11.862 448 HB THR 53 HB THR 53 46.198 -11.968 11.182 449 HG1 THR 53 HG1 THR 53 46.608 -13.441 12.927 450 HG21 THR 53 HG21 THR 53 46.169 -12.870 8.914 451 HG22 THR 53 HG22 THR 53 44.870 -13.582 9.870 452 HG23 THR 53 HG23 THR 53 46.335 -14.508 9.545 453 H THR 54 HN THR 54 48.791 -13.801 8.587 454 HA THR 54 HA THR 54 49.307 -16.503 9.621 455 HB THR 54 HB THR 54 48.860 -15.749 6.731 456 HG1 THR 54 HG1 THR 54 47.049 -16.239 8.832 457 HG21 THR 54 HG21 THR 54 48.278 -18.128 6.511 458 HG22 THR 54 HG22 THR 54 48.614 -18.368 8.226 459 HG23 THR 54 HG23 THR 54 49.919 -17.927 7.124 460 H GLN 55 HN GLN 55 50.537 -14.252 7.151 461 HA GLN 55 HA GLN 55 52.922 -15.784 6.769 462 HB2 GLN 55 HB2 GLN 55 52.357 -12.977 5.810 463 HB3 GLN 55 HB1 GLN 55 53.555 -14.094 5.174 464 HG2 GLN 55 HG2 GLN 55 50.563 -14.415 5.019 465 HG3 GLN 55 HG1 GLN 55 51.638 -13.963 3.699 466 HE21 GLN 55 HE21 GLN 55 52.909 -15.533 2.733 467 HE22 GLN 55 HE22 GLN 55 52.658 -17.222 2.998 468 H HIS 56 HN HIS 56 54.701 -15.711 7.939 469 HA HIS 56 HA HIS 56 55.048 -13.751 10.000 470 HB2 HIS 56 HB2 HIS 56 56.863 -15.961 8.999 471 HB3 HIS 56 HB1 HIS 56 57.274 -14.900 10.339 472 HD1 HIS 56 HD1 HIS 56 57.050 -16.278 12.399 473 HD2 HIS 56 HD2 HIS 56 53.909 -16.929 9.750 474 HE1 HIS 56 HE1 HIS 56 55.477 -17.828 13.584 475 H HIS 57 HN HIS 57 55.741 -11.801 9.648 476 HA HIS 57 HA HIS 57 57.484 -11.318 7.341 477 HB2 HIS 57 HB2 HIS 57 56.540 -8.953 7.420 478 HB3 HIS 57 HB1 HIS 57 55.428 -10.212 6.903 479 HD1 HIS 57 HD1 HIS 57 53.611 -10.974 8.743 480 HD2 HIS 57 HD2 HIS 57 55.708 -7.476 9.580 481 HE1 HIS 57 HE1 HIS 57 52.333 -9.844 10.582 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 46.252 -2.244 -14.060 2 H2 ALA 1 HT2 ALA 1 47.469 -1.246 -13.446 3 H3 ALA 1 HT3 ALA 1 47.709 -2.921 -13.526 4 HA ALA 1 HA ALA 1 48.915 -1.799 -15.258 5 HB1 ALA 1 HB1 ALA 1 48.103 -3.124 -17.134 6 HB2 ALA 1 HB2 ALA 1 46.575 -3.390 -16.298 7 HB3 ALA 1 HB3 ALA 1 48.067 -4.067 -15.644 8 H SER 2 HN SER 2 48.321 -1.190 -17.699 9 HA SER 2 HA SER 2 47.845 0.494 -19.076 10 HB2 SER 2 HB2 SER 2 45.441 1.094 -19.359 11 HB3 SER 2 HB1 SER 2 45.732 -0.641 -19.327 12 HG SER 2 HG SER 2 43.913 0.247 -18.033 13 H MET 3 HN MET 3 45.520 1.792 -16.784 14 HA MET 3 HA MET 3 47.017 4.302 -16.846 15 HB2 MET 3 HB2 MET 3 44.255 3.661 -15.804 16 HB3 MET 3 HB1 MET 3 44.991 5.254 -15.742 17 HG2 MET 3 HG2 MET 3 45.084 5.330 -18.166 18 HG3 MET 3 HG1 MET 3 44.408 3.705 -18.255 19 HE1 MET 3 HE1 MET 3 43.767 7.447 -17.303 20 HE2 MET 3 HE2 MET 3 43.392 6.634 -15.783 21 HE3 MET 3 HE3 MET 3 42.107 7.406 -16.709 22 H GLY 4 HN GLY 4 46.308 1.683 -14.733 23 HA2 GLY 4 HA2 GLY 4 47.336 3.230 -12.448 24 HA3 GLY 4 HA1 GLY 4 46.302 1.816 -12.315 25 H LYS 5 HN LYS 5 49.512 2.982 -12.638 26 HA LYS 5 HA LYS 5 50.470 0.263 -12.175 27 HB2 LYS 5 HB2 LYS 5 52.345 0.498 -13.653 28 HB3 LYS 5 HB1 LYS 5 50.903 0.885 -14.570 29 HG2 LYS 5 HG2 LYS 5 52.665 2.998 -13.350 30 HG3 LYS 5 HG1 LYS 5 52.940 2.339 -14.960 31 HD2 LYS 5 HD2 LYS 5 50.669 3.062 -15.607 32 HD3 LYS 5 HD1 LYS 5 50.461 3.772 -14.004 33 HE2 LYS 5 HE2 LYS 5 51.097 5.472 -15.630 34 HE3 LYS 5 HE1 LYS 5 52.358 5.262 -14.417 35 HZ1 LYS 5 HZ1 LYS 5 53.279 5.432 -16.643 36 HZ2 LYS 5 HZ2 LYS 5 52.380 4.106 -17.159 37 HZ3 LYS 5 HZ3 LYS 5 53.594 3.904 -16.000 38 H SER 6 HN SER 6 52.100 0.082 -10.712 39 HA SER 6 HA SER 6 53.010 2.583 -9.478 40 HB2 SER 6 HB2 SER 6 52.893 1.314 -7.284 41 HB3 SER 6 HB1 SER 6 51.344 1.734 -8.015 42 HG SER 6 HG SER 6 51.979 -0.585 -7.222 43 H LYS 7 HN LYS 7 54.211 0.616 -11.424 44 HA LYS 7 HA LYS 7 56.284 -0.174 -11.922 45 HB2 LYS 7 HB2 LYS 7 56.940 2.012 -10.808 46 HB3 LYS 7 HB1 LYS 7 57.219 1.093 -9.340 47 HG2 LYS 7 HG2 LYS 7 58.942 -0.211 -10.492 48 HG3 LYS 7 HG1 LYS 7 58.659 0.726 -11.961 49 HD2 LYS 7 HD2 LYS 7 59.293 2.771 -10.771 50 HD3 LYS 7 HD1 LYS 7 59.583 1.826 -9.310 51 HE2 LYS 7 HE2 LYS 7 61.347 0.591 -10.432 52 HE3 LYS 7 HE1 LYS 7 61.027 1.463 -11.931 53 HZ1 LYS 7 HZ1 LYS 7 61.971 2.684 -9.392 54 HZ2 LYS 7 HZ2 LYS 7 61.667 3.515 -10.833 55 HZ3 LYS 7 HZ3 LYS 7 62.919 2.386 -10.761 56 H GLU 8 HN GLU 8 54.372 -1.538 -9.998 57 HA GLU 8 HA GLU 8 54.179 -3.546 -8.984 58 HB2 GLU 8 HB2 GLU 8 57.056 -3.937 -9.812 59 HB3 GLU 8 HB1 GLU 8 56.041 -5.187 -9.106 60 HG2 GLU 8 HG2 GLU 8 54.566 -5.136 -10.990 61 HG3 GLU 8 HG1 GLU 8 55.409 -3.744 -11.667 62 H ILE 9 HN ILE 9 57.338 -2.130 -8.164 63 HA ILE 9 HA ILE 9 57.158 -3.042 -5.453 64 HB ILE 9 HB ILE 9 59.159 -1.516 -5.090 65 HG12 ILE 9 HG12 ILE 9 59.000 -1.282 -8.110 66 HG13 ILE 9 HG11 ILE 9 58.714 0.029 -6.972 67 HG21 ILE 9 HG21 ILE 9 59.370 -3.902 -5.468 68 HG22 ILE 9 HG22 ILE 9 60.686 -3.031 -6.253 69 HG23 ILE 9 HG23 ILE 9 59.339 -3.647 -7.211 70 HD11 ILE 9 HD11 ILE 9 61.030 -0.126 -6.218 71 HD12 ILE 9 HD12 ILE 9 60.927 0.172 -7.954 72 HD13 ILE 9 HD13 ILE 9 61.311 -1.442 -7.357 73 H SER 10 HN SER 10 55.129 -2.193 -4.912 74 HA SER 10 HA SER 10 54.853 0.697 -4.682 75 HB2 SER 10 HB2 SER 10 52.850 -1.383 -3.834 76 HB3 SER 10 HB1 SER 10 52.559 0.282 -4.342 77 HG SER 10 HG SER 10 53.833 -0.921 -6.310 78 H GLN 11 HN GLN 11 56.854 -0.383 -3.080 79 HA GLN 11 HA GLN 11 56.219 -1.232 -0.524 80 HB2 GLN 11 HB2 GLN 11 58.507 0.482 -1.476 81 HB3 GLN 11 HB1 GLN 11 58.402 -0.175 0.149 82 HG2 GLN 11 HG2 GLN 11 58.433 -2.429 -0.736 83 HG3 GLN 11 HG1 GLN 11 58.466 -1.799 -2.382 84 HE21 GLN 11 HE21 GLN 11 60.403 -2.866 -2.784 85 HE22 GLN 11 HE22 GLN 11 61.910 -2.305 -2.152 86 H ASP 12 HN ASP 12 56.796 2.112 -1.582 87 HA ASP 12 HA ASP 12 56.228 3.273 0.924 88 HB2 ASP 12 HB2 ASP 12 57.516 4.430 -0.830 89 HB3 ASP 12 HB1 ASP 12 56.068 4.528 -1.824 90 H LEU 13 HN LEU 13 54.265 2.853 -1.988 91 HA LEU 13 HA LEU 13 51.945 4.149 -1.149 92 HB2 LEU 13 HB2 LEU 13 52.492 3.273 -3.460 93 HB3 LEU 13 HB1 LEU 13 52.056 1.680 -2.889 94 HG LEU 13 HG LEU 13 50.079 3.956 -2.816 95 HD11 LEU 13 HD11 LEU 13 49.241 3.174 -4.980 96 HD12 LEU 13 HD12 LEU 13 50.599 2.054 -5.098 97 HD13 LEU 13 HD13 LEU 13 50.887 3.794 -5.105 98 HD21 LEU 13 HD21 LEU 13 48.444 2.135 -2.911 99 HD22 LEU 13 HD22 LEU 13 49.524 1.940 -1.531 100 HD23 LEU 13 HD23 LEU 13 49.753 0.954 -2.976 101 H ARG 14 HN ARG 14 52.860 0.744 -0.805 102 HA ARG 14 HA ARG 14 50.568 -0.160 0.527 103 HB2 ARG 14 HB2 ARG 14 53.414 -1.084 0.434 104 HB3 ARG 14 HB1 ARG 14 52.264 -1.871 1.503 105 HG2 ARG 14 HG2 ARG 14 51.036 -2.745 -0.244 106 HG3 ARG 14 HG1 ARG 14 51.613 -1.531 -1.390 107 HD2 ARG 14 HD2 ARG 14 52.539 -3.907 -1.613 108 HD3 ARG 14 HD1 ARG 14 53.688 -2.571 -1.631 109 HE ARG 14 HE ARG 14 53.197 -3.850 0.939 110 HH11 ARG 14 HH11 ARG 14 55.261 -3.621 -1.896 111 HH12 ARG 14 HH12 ARG 14 56.660 -4.235 -1.077 112 HH21 ARG 14 HH21 ARG 14 55.052 -4.644 2.007 113 HH22 ARG 14 HH22 ARG 14 56.539 -4.821 1.138 114 H LYS 15 HN LYS 15 53.642 1.040 1.819 115 HA LYS 15 HA LYS 15 53.022 0.712 4.527 116 HB2 LYS 15 HB2 LYS 15 54.899 2.620 3.145 117 HB3 LYS 15 HB1 LYS 15 54.812 2.441 4.892 118 HG2 LYS 15 HG2 LYS 15 55.489 0.137 4.741 119 HG3 LYS 15 HG1 LYS 15 55.432 0.201 2.980 120 HD2 LYS 15 HD2 LYS 15 57.726 0.366 3.787 121 HD3 LYS 15 HD1 LYS 15 57.234 1.856 2.983 122 HE2 LYS 15 HE2 LYS 15 56.870 2.931 5.111 123 HE3 LYS 15 HE1 LYS 15 57.196 1.425 5.964 124 HZ1 LYS 15 HZ1 LYS 15 59.106 2.885 6.003 125 HZ2 LYS 15 HZ2 LYS 15 59.145 2.936 4.315 126 HZ3 LYS 15 HZ3 LYS 15 59.457 1.486 5.123 127 H LYS 16 HN LYS 16 52.250 3.285 2.292 128 HA LYS 16 HA LYS 16 51.376 5.126 4.294 129 HB2 LYS 16 HB2 LYS 16 50.759 5.045 1.336 130 HB3 LYS 16 HB1 LYS 16 50.418 6.394 2.408 131 HG2 LYS 16 HG2 LYS 16 53.168 5.321 1.811 132 HG3 LYS 16 HG1 LYS 16 52.435 6.725 1.035 133 HD2 LYS 16 HD2 LYS 16 52.324 7.882 3.152 134 HD3 LYS 16 HD1 LYS 16 52.921 6.454 3.998 135 HE2 LYS 16 HE2 LYS 16 54.658 8.196 3.607 136 HE3 LYS 16 HE1 LYS 16 55.050 6.622 2.918 137 HZ1 LYS 16 HZ1 LYS 16 54.581 7.376 0.764 138 HZ2 LYS 16 HZ2 LYS 16 55.464 8.633 1.476 139 HZ3 LYS 16 HZ3 LYS 16 53.790 8.765 1.320 140 H ILE 17 HN ILE 17 49.605 3.114 1.931 141 HA ILE 17 HA ILE 17 47.058 3.840 2.857 142 HB ILE 17 HB ILE 17 47.405 2.838 0.636 143 HG12 ILE 17 HG12 ILE 17 45.466 1.262 0.650 144 HG13 ILE 17 HG11 ILE 17 45.504 1.295 2.408 145 HG21 ILE 17 HG21 ILE 17 47.707 0.431 0.355 146 HG22 ILE 17 HG22 ILE 17 47.887 0.253 2.101 147 HG23 ILE 17 HG23 ILE 17 49.077 1.175 1.181 148 HD11 ILE 17 HD11 ILE 17 43.789 2.770 1.501 149 HD12 ILE 17 HD12 ILE 17 45.026 3.673 0.625 150 HD13 ILE 17 HD13 ILE 17 45.015 3.675 2.388 151 H VAL 18 HN VAL 18 49.124 1.101 3.784 152 HA VAL 18 HA VAL 18 47.196 -0.143 5.443 153 HB VAL 18 HB VAL 18 50.222 -0.324 5.519 154 HG11 VAL 18 HG11 VAL 18 49.284 -0.973 7.674 155 HG12 VAL 18 HG12 VAL 18 49.899 -2.384 6.812 156 HG13 VAL 18 HG13 VAL 18 48.164 -2.072 6.869 157 HG21 VAL 18 HG21 VAL 18 49.252 -1.105 3.426 158 HG22 VAL 18 HG22 VAL 18 48.139 -2.147 4.314 159 HG23 VAL 18 HG23 VAL 18 49.873 -2.463 4.365 160 H ASP 19 HN ASP 19 49.761 2.203 6.096 161 HA ASP 19 HA ASP 19 49.534 2.276 8.890 162 HB2 ASP 19 HB2 ASP 19 51.435 3.267 7.757 163 HB3 ASP 19 HB1 ASP 19 50.394 4.438 6.960 164 H LEU 20 HN LEU 20 47.987 4.282 6.414 165 HA LEU 20 HA LEU 20 46.551 5.886 8.238 166 HB2 LEU 20 HB2 LEU 20 46.439 5.419 5.310 167 HB3 LEU 20 HB1 LEU 20 45.062 6.190 6.068 168 HG LEU 20 HG LEU 20 46.576 7.845 5.127 169 HD11 LEU 20 HD11 LEU 20 45.301 8.405 7.127 170 HD12 LEU 20 HD12 LEU 20 46.834 9.271 7.053 171 HD13 LEU 20 HD13 LEU 20 46.653 7.889 8.133 172 HD21 LEU 20 HD21 LEU 20 48.667 6.612 5.266 173 HD22 LEU 20 HD22 LEU 20 48.636 6.733 7.025 174 HD23 LEU 20 HD23 LEU 20 48.818 8.188 6.043 175 H HIS 21 HN HIS 21 45.900 2.728 6.946 176 HA HIS 21 HA HIS 21 43.103 2.764 7.429 177 HB2 HIS 21 HB2 HIS 21 45.079 0.635 6.828 178 HB3 HIS 21 HB1 HIS 21 43.583 0.132 7.610 179 HD1 HIS 21 HD1 HIS 21 41.385 1.453 6.275 180 HD2 HIS 21 HD2 HIS 21 44.804 0.418 4.153 181 HE1 HIS 21 HE1 HIS 21 40.693 1.413 3.869 182 H LYS 22 HN LYS 22 45.843 2.218 9.490 183 HA LYS 22 HA LYS 22 44.107 1.326 11.642 184 HB2 LYS 22 HB2 LYS 22 47.049 1.494 11.277 185 HB3 LYS 22 HB1 LYS 22 46.441 1.664 12.916 186 HG2 LYS 22 HG2 LYS 22 46.929 -0.620 12.656 187 HG3 LYS 22 HG1 LYS 22 45.176 -0.496 12.534 188 HD2 LYS 22 HD2 LYS 22 45.802 -1.953 10.800 189 HD3 LYS 22 HD1 LYS 22 45.532 -0.400 10.007 190 HE2 LYS 22 HE2 LYS 22 47.559 -1.422 9.163 191 HE3 LYS 22 HE1 LYS 22 47.954 0.034 10.073 192 HZ1 LYS 22 HZ1 LYS 22 49.450 -1.782 10.605 193 HZ2 LYS 22 HZ2 LYS 22 48.157 -2.751 11.085 194 HZ3 LYS 22 HZ3 LYS 22 48.543 -1.363 11.968 195 H SER 23 HN SER 23 45.146 4.215 10.327 196 HA SER 23 HA SER 23 45.020 5.749 12.762 197 HB2 SER 23 HB2 SER 23 45.002 6.742 9.900 198 HB3 SER 23 HB1 SER 23 45.405 7.661 11.352 199 HG SER 23 HG SER 23 47.105 5.961 11.612 200 H GLY 24 HN GLY 24 43.052 5.410 9.802 201 HA2 GLY 24 HA2 GLY 24 40.749 5.244 9.643 202 HA3 GLY 24 HA1 GLY 24 40.634 5.507 11.370 203 H SER 25 HN SER 25 41.709 7.981 11.710 204 HA SER 25 HA SER 25 39.539 9.612 11.114 205 HB2 SER 25 HB2 SER 25 41.109 10.020 12.976 206 HB3 SER 25 HB1 SER 25 42.333 10.523 11.815 207 HG SER 25 HG SER 25 41.027 12.230 12.839 208 H SER 26 HN SER 26 42.657 9.409 9.413 209 HA SER 26 HA SER 26 41.710 11.401 7.498 210 HB2 SER 26 HB2 SER 26 44.418 10.081 7.750 211 HB3 SER 26 HB1 SER 26 44.013 11.397 6.648 212 HG SER 26 HG SER 26 43.261 12.373 8.832 213 H LEU 27 HN LEU 27 40.730 8.520 7.656 214 HA LEU 27 HA LEU 27 41.734 7.170 5.365 215 HB2 LEU 27 HB2 LEU 27 40.372 6.268 7.406 216 HB3 LEU 27 HB1 LEU 27 38.973 6.731 6.465 217 HG LEU 27 HG LEU 27 39.543 4.319 6.298 218 HD11 LEU 27 HD11 LEU 27 39.762 5.836 3.710 219 HD12 LEU 27 HD12 LEU 27 38.270 5.362 4.521 220 HD13 LEU 27 HD13 LEU 27 39.354 4.128 3.878 221 HD21 LEU 27 HD21 LEU 27 41.984 4.574 6.429 222 HD22 LEU 27 HD22 LEU 27 41.980 5.272 4.808 223 HD23 LEU 27 HD23 LEU 27 41.478 3.602 5.050 224 H GLY 28 HN GLY 28 38.844 9.145 5.947 225 HA2 GLY 28 HA2 GLY 28 37.798 9.000 3.335 226 HA3 GLY 28 HA1 GLY 28 37.459 10.271 4.501 227 H ALA 29 HN ALA 29 40.157 11.119 4.810 228 HA ALA 29 HA ALA 29 40.338 13.022 2.768 229 HB1 ALA 29 HB1 ALA 29 42.474 13.629 3.757 230 HB2 ALA 29 HB2 ALA 29 42.496 12.121 4.671 231 HB3 ALA 29 HB3 ALA 29 41.270 13.341 5.014 232 H ILE 30 HN ILE 30 42.331 10.107 3.359 233 HA ILE 30 HA ILE 30 43.882 10.536 1.016 234 HB ILE 30 HB ILE 30 44.817 8.300 1.359 235 HG12 ILE 30 HG12 ILE 30 42.985 8.073 3.752 236 HG13 ILE 30 HG11 ILE 30 42.661 7.289 2.211 237 HG21 ILE 30 HG21 ILE 30 45.727 10.218 2.563 238 HG22 ILE 30 HG22 ILE 30 45.873 8.737 3.504 239 HG23 ILE 30 HG23 ILE 30 44.617 9.911 3.899 240 HD11 ILE 30 HD11 ILE 30 45.067 6.822 3.952 241 HD12 ILE 30 HD12 ILE 30 44.728 6.022 2.418 242 HD13 ILE 30 HD13 ILE 30 43.670 5.758 3.804 243 H SER 31 HN SER 31 40.975 8.644 1.640 244 HA SER 31 HA SER 31 41.103 7.150 -0.751 245 HB2 SER 31 HB2 SER 31 38.584 6.872 -0.376 246 HB3 SER 31 HB1 SER 31 39.649 6.299 0.905 247 HG SER 31 HG SER 31 39.121 8.005 2.142 248 H LYS 32 HN LYS 32 39.884 10.344 -0.024 249 HA LYS 32 HA LYS 32 38.746 10.688 -2.660 250 HB2 LYS 32 HB2 LYS 32 39.215 12.647 -0.406 251 HB3 LYS 32 HB1 LYS 32 38.395 13.042 -1.909 252 HG2 LYS 32 HG2 LYS 32 36.626 11.486 -1.409 253 HG3 LYS 32 HG1 LYS 32 37.476 10.938 0.037 254 HD2 LYS 32 HD2 LYS 32 37.286 13.193 0.990 255 HD3 LYS 32 HD1 LYS 32 36.418 13.723 -0.452 256 HE2 LYS 32 HE2 LYS 32 34.628 12.151 0.018 257 HE3 LYS 32 HE1 LYS 32 35.511 11.531 1.412 258 HZ1 LYS 32 HZ1 LYS 32 33.774 13.119 2.030 259 HZ2 LYS 32 HZ2 LYS 32 34.542 14.324 1.126 260 HZ3 LYS 32 HZ3 LYS 32 35.309 13.663 2.475 261 H ARG 33 HN ARG 33 41.634 11.698 -0.908 262 HA ARG 33 HA ARG 33 42.736 13.389 -2.874 263 HB2 ARG 33 HB2 ARG 33 43.620 13.518 -0.682 264 HB3 ARG 33 HB1 ARG 33 43.937 11.793 -0.625 265 HG2 ARG 33 HG2 ARG 33 45.699 12.090 -2.324 266 HG3 ARG 33 HG1 ARG 33 45.407 13.831 -2.283 267 HD2 ARG 33 HD2 ARG 33 46.116 13.993 -0.039 268 HD3 ARG 33 HD1 ARG 33 46.086 12.243 0.176 269 HE ARG 33 HE ARG 33 47.915 13.097 -1.856 270 HH11 ARG 33 HH11 ARG 33 47.519 12.680 1.607 271 HH12 ARG 33 HH12 ARG 33 49.202 12.425 1.909 272 HH21 ARG 33 HH21 ARG 33 50.157 12.758 -1.464 273 HH22 ARG 33 HH22 ARG 33 50.717 12.494 0.148 274 H LEU 34 HN LEU 34 43.161 9.923 -2.280 275 HA LEU 34 HA LEU 34 44.926 9.625 -4.546 276 HB2 LEU 34 HB2 LEU 34 45.203 8.259 -2.515 277 HB3 LEU 34 HB1 LEU 34 43.619 7.558 -2.771 278 HG LEU 34 HG LEU 34 44.448 6.549 -4.886 279 HD11 LEU 34 HD11 LEU 34 47.115 7.598 -3.954 280 HD12 LEU 34 HD12 LEU 34 46.231 8.113 -5.391 281 HD13 LEU 34 HD13 LEU 34 46.862 6.470 -5.285 282 HD21 LEU 34 HD21 LEU 34 46.019 5.858 -2.405 283 HD22 LEU 34 HD22 LEU 34 45.805 4.817 -3.813 284 HD23 LEU 34 HD23 LEU 34 44.415 5.257 -2.822 285 H LYS 35 HN LYS 35 41.569 9.424 -3.852 286 HA LYS 35 HA LYS 35 39.724 8.901 -5.026 287 HB2 LYS 35 HB2 LYS 35 40.670 10.656 -6.523 288 HB3 LYS 35 HB1 LYS 35 41.465 9.398 -7.455 289 HG2 LYS 35 HG2 LYS 35 39.300 8.463 -8.069 290 HG3 LYS 35 HG1 LYS 35 38.486 9.694 -7.103 291 HD2 LYS 35 HD2 LYS 35 40.286 10.261 -9.460 292 HD3 LYS 35 HD1 LYS 35 38.523 10.221 -9.526 293 HE2 LYS 35 HE2 LYS 35 38.413 12.050 -7.915 294 HE3 LYS 35 HE1 LYS 35 40.171 12.072 -7.806 295 HZ1 LYS 35 HZ1 LYS 35 39.319 13.795 -9.270 296 HZ2 LYS 35 HZ2 LYS 35 38.609 12.628 -10.262 297 HZ3 LYS 35 HZ3 LYS 35 40.292 12.701 -10.114 298 H VAL 36 HN VAL 36 40.319 6.768 -4.085 299 HA VAL 36 HA VAL 36 40.786 4.806 -6.211 300 HB VAL 36 HB VAL 36 42.592 4.706 -4.612 301 HG11 VAL 36 HG11 VAL 36 40.494 4.370 -2.474 302 HG12 VAL 36 HG12 VAL 36 41.539 5.771 -2.711 303 HG13 VAL 36 HG13 VAL 36 42.235 4.224 -2.232 304 HG21 VAL 36 HG21 VAL 36 42.415 2.382 -3.830 305 HG22 VAL 36 HG22 VAL 36 41.850 2.566 -5.491 306 HG23 VAL 36 HG23 VAL 36 40.685 2.408 -4.176 307 HA PRO 37 HA PRO 37 36.509 3.708 -5.599 308 HB2 PRO 37 HB2 PRO 37 36.708 1.258 -6.897 309 HB3 PRO 37 HB1 PRO 37 36.388 2.803 -7.689 310 HG2 PRO 37 HG2 PRO 37 38.950 1.300 -7.425 311 HG3 PRO 37 HG1 PRO 37 38.340 2.248 -8.792 312 HD2 PRO 37 HD2 PRO 37 40.238 3.187 -7.144 313 HD3 PRO 37 HD1 PRO 37 39.012 4.255 -7.859 314 H ARG 38 HN ARG 38 35.356 2.418 -4.248 315 HA ARG 38 HA ARG 38 36.550 1.390 -1.965 316 HB2 ARG 38 HB2 ARG 38 34.206 2.105 -2.106 317 HB3 ARG 38 HB1 ARG 38 33.840 0.728 -3.128 318 HG2 ARG 38 HG2 ARG 38 34.356 -0.787 -1.288 319 HG3 ARG 38 HG1 ARG 38 34.749 0.594 -0.260 320 HD2 ARG 38 HD2 ARG 38 32.470 -0.251 0.144 321 HD3 ARG 38 HD1 ARG 38 32.472 1.414 -0.439 322 HE ARG 38 HE ARG 38 32.189 -0.533 -2.531 323 HH11 ARG 38 HH11 ARG 38 30.436 1.351 -0.146 324 HH12 ARG 38 HH12 ARG 38 28.937 1.273 -0.997 325 HH21 ARG 38 HH21 ARG 38 30.199 -0.629 -3.669 326 HH22 ARG 38 HH22 ARG 38 28.800 0.147 -3.017 327 H SER 39 HN SER 39 35.444 -0.304 -4.863 328 HA SER 39 HA SER 39 35.856 -2.926 -3.975 329 HB2 SER 39 HB2 SER 39 36.125 -1.917 -6.808 330 HB3 SER 39 HB1 SER 39 35.694 -3.549 -6.290 331 HG SER 39 HG SER 39 33.860 -2.312 -6.881 332 H SER 40 HN SER 40 38.098 -0.539 -5.214 333 HA SER 40 HA SER 40 40.210 -2.455 -5.627 334 HB2 SER 40 HB2 SER 40 40.075 -0.440 -7.040 335 HB3 SER 40 HB1 SER 40 40.305 0.575 -5.617 336 HG SER 40 HG SER 40 42.345 -0.637 -5.354 337 H VAL 41 HN VAL 41 39.095 -0.344 -3.109 338 HA VAL 41 HA VAL 41 41.445 -0.395 -1.516 339 HB VAL 41 HB VAL 41 38.565 -0.025 -0.632 340 HG11 VAL 41 HG11 VAL 41 39.524 1.113 1.319 341 HG12 VAL 41 HG12 VAL 41 41.145 0.706 0.754 342 HG13 VAL 41 HG13 VAL 41 40.030 -0.575 1.232 343 HG21 VAL 41 HG21 VAL 41 39.194 1.619 -2.313 344 HG22 VAL 41 HG22 VAL 41 40.642 2.027 -1.394 345 HG23 VAL 41 HG23 VAL 41 39.048 2.381 -0.729 346 H GLN 42 HN GLN 42 38.512 -2.353 -1.648 347 HA GLN 42 HA GLN 42 38.988 -3.984 0.561 348 HB2 GLN 42 HB2 GLN 42 36.836 -3.829 -0.653 349 HB3 GLN 42 HB1 GLN 42 37.547 -4.721 -1.990 350 HG2 GLN 42 HG2 GLN 42 36.170 -6.148 -0.574 351 HG3 GLN 42 HG1 GLN 42 37.858 -6.658 -0.570 352 HE21 GLN 42 HE21 GLN 42 37.684 -7.710 1.369 353 HE22 GLN 42 HE22 GLN 42 37.516 -6.889 2.881 354 H THR 43 HN THR 43 40.053 -4.342 -2.810 355 HA THR 43 HA THR 43 41.148 -6.923 -2.452 356 HB THR 43 HB THR 43 42.504 -6.295 -4.557 357 HG1 THR 43 HG1 THR 43 42.110 -3.943 -4.126 358 HG21 THR 43 HG21 THR 43 40.519 -6.544 -5.987 359 HG22 THR 43 HG22 THR 43 39.483 -6.184 -4.606 360 HG23 THR 43 HG23 THR 43 40.466 -7.648 -4.612 361 H ILE 44 HN ILE 44 42.319 -3.766 -1.672 362 HA ILE 44 HA ILE 44 45.079 -4.627 -1.464 363 HB ILE 44 HB ILE 44 43.777 -2.003 -0.694 364 HG12 ILE 44 HG12 ILE 44 43.749 -2.390 -3.106 365 HG13 ILE 44 HG11 ILE 44 44.897 -1.118 -2.706 366 HG21 ILE 44 HG21 ILE 44 46.705 -2.724 -0.806 367 HG22 ILE 44 HG22 ILE 44 45.766 -2.392 0.650 368 HG23 ILE 44 HG23 ILE 44 46.055 -1.109 -0.525 369 HD11 ILE 44 HD11 ILE 44 45.558 -3.979 -3.382 370 HD12 ILE 44 HD12 ILE 44 46.730 -2.749 -2.913 371 HD13 ILE 44 HD13 ILE 44 45.810 -2.565 -4.406 372 H VAL 45 HN VAL 45 42.446 -3.667 0.730 373 HA VAL 45 HA VAL 45 43.960 -3.970 3.088 374 HB VAL 45 HB VAL 45 41.806 -4.015 4.308 375 HG11 VAL 45 HG11 VAL 45 41.031 -1.797 3.607 376 HG12 VAL 45 HG12 VAL 45 41.999 -1.939 2.140 377 HG13 VAL 45 HG13 VAL 45 42.787 -1.890 3.716 378 HG21 VAL 45 HG21 VAL 45 39.712 -3.720 3.050 379 HG22 VAL 45 HG22 VAL 45 40.459 -5.295 2.769 380 HG23 VAL 45 HG23 VAL 45 40.602 -4.021 1.557 381 H ARG 46 HN ARG 46 41.951 -6.227 1.295 382 HA ARG 46 HA ARG 46 42.150 -8.326 3.208 383 HB2 ARG 46 HB2 ARG 46 40.337 -8.211 1.561 384 HB3 ARG 46 HB1 ARG 46 41.495 -8.397 0.256 385 HG2 ARG 46 HG2 ARG 46 41.992 -10.647 0.956 386 HG3 ARG 46 HG1 ARG 46 40.961 -10.466 2.378 387 HD2 ARG 46 HD2 ARG 46 39.010 -10.217 0.993 388 HD3 ARG 46 HD1 ARG 46 39.997 -10.217 -0.466 389 HE ARG 46 HE ARG 46 40.555 -12.599 0.760 390 HH11 ARG 46 HH11 ARG 46 37.623 -11.026 -0.344 391 HH12 ARG 46 HH12 ARG 46 36.833 -12.501 -0.769 392 HH21 ARG 46 HH21 ARG 46 39.522 -14.557 0.190 393 HH22 ARG 46 HH22 ARG 46 37.926 -14.529 -0.477 394 H LYS 47 HN LYS 47 44.153 -7.156 0.640 395 HA LYS 47 HA LYS 47 45.680 -9.491 0.225 396 HB2 LYS 47 HB2 LYS 47 45.606 -7.642 -1.396 397 HB3 LYS 47 HB1 LYS 47 46.456 -6.613 -0.253 398 HG2 LYS 47 HG2 LYS 47 48.408 -8.032 -0.369 399 HG3 LYS 47 HG1 LYS 47 47.558 -9.155 -1.430 400 HD2 LYS 47 HD2 LYS 47 47.329 -7.353 -3.100 401 HD3 LYS 47 HD1 LYS 47 48.256 -6.286 -2.043 402 HE2 LYS 47 HE2 LYS 47 50.178 -7.738 -2.195 403 HE3 LYS 47 HE1 LYS 47 49.258 -8.912 -3.133 404 HZ1 LYS 47 HZ1 LYS 47 49.950 -6.157 -3.984 405 HZ2 LYS 47 HZ2 LYS 47 49.025 -7.248 -4.878 406 HZ3 LYS 47 HZ3 LYS 47 50.647 -7.587 -4.559 407 H TYR 48 HN TYR 48 46.209 -6.620 2.296 408 HA TYR 48 HA TYR 48 48.673 -7.733 3.230 409 HB2 TYR 48 HB2 TYR 48 48.952 -5.819 4.638 410 HB3 TYR 48 HB1 TYR 48 48.344 -5.265 3.093 411 HD1 TYR 48 HD1 TYR 48 47.234 -6.074 6.565 412 HD2 TYR 48 HD2 TYR 48 46.516 -3.804 3.040 413 HE1 TYR 48 HE1 TYR 48 45.529 -4.775 7.759 414 HE2 TYR 48 HE2 TYR 48 44.799 -2.501 4.228 415 HH TYR 48 HH TYR 48 43.308 -2.751 6.189 416 H LYS 49 HN LYS 49 45.472 -8.311 4.024 417 HA LYS 49 HA LYS 49 45.767 -8.986 6.763 418 HB2 LYS 49 HB2 LYS 49 43.842 -9.946 4.643 419 HB3 LYS 49 HB1 LYS 49 43.769 -10.504 6.306 420 HG2 LYS 49 HG2 LYS 49 43.520 -7.632 5.441 421 HG3 LYS 49 HG1 LYS 49 42.168 -8.704 5.810 422 HD2 LYS 49 HD2 LYS 49 43.061 -8.995 8.092 423 HD3 LYS 49 HD1 LYS 49 44.353 -7.855 7.712 424 HE2 LYS 49 HE2 LYS 49 42.712 -6.106 7.313 425 HE3 LYS 49 HE1 LYS 49 41.404 -7.244 7.631 426 HZ1 LYS 49 HZ1 LYS 49 43.473 -6.410 9.589 427 HZ2 LYS 49 HZ2 LYS 49 42.203 -7.480 9.893 428 HZ3 LYS 49 HZ3 LYS 49 41.879 -5.858 9.548 429 H HIS 50 HN HIS 50 45.958 -10.892 3.790 430 HA HIS 50 HA HIS 50 46.785 -13.267 5.169 431 HB2 HIS 50 HB2 HIS 50 45.521 -13.304 3.010 432 HB3 HIS 50 HB1 HIS 50 46.942 -12.652 2.207 433 HD1 HIS 50 HD1 HIS 50 45.401 -15.802 3.277 434 HD2 HIS 50 HD2 HIS 50 49.198 -14.502 2.194 435 HE1 HIS 50 HE1 HIS 50 46.707 -17.884 2.781 436 H HIS 51 HN HIS 51 48.392 -10.850 3.118 437 HA HIS 51 HA HIS 51 50.938 -12.071 3.230 438 HB2 HIS 51 HB2 HIS 51 49.953 -9.381 2.402 439 HB3 HIS 51 HB1 HIS 51 51.681 -9.607 2.647 440 HD1 HIS 51 HD1 HIS 51 48.835 -10.781 0.445 441 HD2 HIS 51 HD2 HIS 51 52.985 -11.033 0.669 442 HE1 HIS 51 HE1 HIS 51 49.570 -11.753 -1.740 443 H GLY 52 HN GLY 52 49.402 -9.668 5.292 444 HA2 GLY 52 HA2 GLY 52 51.766 -9.024 6.735 445 HA3 GLY 52 HA1 GLY 52 50.116 -8.699 7.243 446 H THR 53 HN THR 53 49.952 -11.851 6.696 447 HA THR 53 HA THR 53 50.767 -12.501 9.446 448 HB THR 53 HB THR 53 48.530 -13.819 7.901 449 HG1 THR 53 HG1 THR 53 47.562 -11.949 8.268 450 HG21 THR 53 HG21 THR 53 49.218 -13.776 10.849 451 HG22 THR 53 HG22 THR 53 49.470 -15.136 9.755 452 HG23 THR 53 HG23 THR 53 47.833 -14.593 10.126 453 H THR 54 HN THR 54 50.580 -13.763 6.116 454 HA THR 54 HA THR 54 52.000 -16.162 7.008 455 HB THR 54 HB THR 54 50.705 -15.724 4.317 456 HG1 THR 54 HG1 THR 54 49.668 -16.872 6.720 457 HG21 THR 54 HG21 THR 54 50.666 -18.187 4.274 458 HG22 THR 54 HG22 THR 54 51.484 -18.226 5.836 459 HG23 THR 54 HG23 THR 54 52.315 -17.580 4.422 460 H GLN 55 HN GLN 55 52.611 -13.260 5.192 461 HA GLN 55 HA GLN 55 54.587 -14.236 3.434 462 HB2 GLN 55 HB2 GLN 55 53.627 -12.036 3.107 463 HB3 GLN 55 HB1 GLN 55 54.291 -11.485 4.634 464 HG2 GLN 55 HG2 GLN 55 56.563 -11.844 3.719 465 HG3 GLN 55 HG1 GLN 55 55.829 -12.246 2.167 466 HE21 GLN 55 HE21 GLN 55 56.454 -9.729 4.477 467 HE22 GLN 55 HE22 GLN 55 56.108 -8.405 3.425 468 H HIS 56 HN HIS 56 54.959 -12.729 6.642 469 HA HIS 56 HA HIS 56 57.740 -13.550 6.690 470 HB2 HIS 56 HB2 HIS 56 57.227 -11.376 7.657 471 HB3 HIS 56 HB1 HIS 56 56.063 -12.101 8.757 472 HD1 HIS 56 HD1 HIS 56 59.797 -12.297 8.053 473 HD2 HIS 56 HD2 HIS 56 57.105 -12.704 11.190 474 HE1 HIS 56 HE1 HIS 56 61.204 -12.662 10.097 475 H HIS 57 HN HIS 57 54.682 -14.373 8.187 476 HA HIS 57 HA HIS 57 53.937 -16.214 9.253 477 HB2 HIS 57 HB2 HIS 57 55.030 -17.448 7.394 478 HB3 HIS 57 HB1 HIS 57 56.516 -17.517 8.333 479 HD1 HIS 57 HD1 HIS 57 56.766 -19.461 9.879 480 HD2 HIS 57 HD2 HIS 57 52.850 -18.953 8.599 481 HE1 HIS 57 HE1 HIS 57 55.521 -21.470 10.723
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