NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
548659 | 2lsw | 18449 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 24 H SER 24 9.183 12.258 -21.910 2 HA SER 24 HA SER 24 8.114 9.767 -20.986 3 HB2 SER 24 2HB SER 24 10.562 9.695 -22.629 4 HB3 SER 24 1HB SER 24 10.705 8.845 -21.093 5 HG SER 24 HG SER 24 9.406 7.368 -21.831 6 H LYS 25 H LYS 25 11.113 11.730 -20.875 7 HA LYS 25 HA LYS 25 11.995 11.354 -18.298 8 HB2 LYS 25 2HB LYS 25 11.980 13.473 -20.301 9 HB3 LYS 25 1HB LYS 25 12.068 14.125 -18.665 10 HG2 LYS 25 2HG LYS 25 14.041 12.886 -18.166 11 HG3 LYS 25 1HG LYS 25 13.848 11.864 -19.591 12 HD2 LYS 25 2HD LYS 25 13.897 14.433 -20.646 13 HD3 LYS 25 1HD LYS 25 15.097 14.497 -19.354 14 HE2 LYS 25 2HE LYS 25 16.352 13.714 -21.201 15 HE3 LYS 25 1HE LYS 25 15.918 12.210 -20.365 16 HZ1 LYS 25 3HZ LYS 25 14.870 13.314 -22.852 17 HZ2 LYS 25 1HZ LYS 25 13.738 12.584 -21.820 18 HZ3 LYS 25 2HZ LYS 25 15.070 11.693 -22.383 19 H LYS 26 H LYS 26 10.405 10.967 -16.693 20 HA LYS 26 HA LYS 26 9.243 13.217 -15.388 21 HB2 LYS 26 2HB LYS 26 7.907 12.873 -17.604 22 HB3 LYS 26 1HB LYS 26 7.185 11.501 -16.763 23 HG2 LYS 26 2HG LYS 26 5.741 12.959 -15.829 24 HG3 LYS 26 1HG LYS 26 7.102 13.591 -14.901 25 HD2 LYS 26 2HD LYS 26 7.582 15.239 -16.614 26 HD3 LYS 26 1HD LYS 26 6.364 14.541 -17.684 27 HE2 LYS 26 2HE LYS 26 5.123 16.277 -16.751 28 HE3 LYS 26 1HE LYS 26 4.788 15.006 -15.556 29 HZ1 LYS 26 3HZ LYS 26 7.094 15.853 -14.633 30 HZ2 LYS 26 1HZ LYS 26 5.635 16.583 -14.171 31 HZ3 LYS 26 2HZ LYS 26 6.597 17.299 -15.374 32 H GLU 27 H GLU 27 9.874 12.246 -13.450 33 HA GLU 27 HA GLU 27 9.931 10.631 -11.709 34 HB2 GLU 27 2HB GLU 27 7.768 11.679 -11.430 35 HB3 GLU 27 1HB GLU 27 7.069 10.682 -12.705 36 HG2 GLU 27 2HG GLU 27 8.219 8.870 -10.881 37 HG3 GLU 27 1HG GLU 27 7.387 10.073 -9.895 38 H LYS 28 H LYS 28 11.274 9.016 -12.814 39 HA LYS 28 HA LYS 28 10.404 7.051 -14.621 40 HB2 LYS 28 2HB LYS 28 12.642 7.655 -12.954 41 HB3 LYS 28 1HB LYS 28 12.265 5.944 -12.748 42 HG2 LYS 28 2HG LYS 28 12.057 6.006 -15.389 43 HG3 LYS 28 1HG LYS 28 13.106 7.414 -15.219 44 HD2 LYS 28 2HD LYS 28 14.724 6.067 -13.939 45 HD3 LYS 28 1HD LYS 28 13.675 4.657 -14.088 46 HE2 LYS 28 2HE LYS 28 13.864 5.313 -16.701 47 HE3 LYS 28 1HE LYS 28 15.430 5.925 -16.131 48 HZ1 LYS 28 3HZ LYS 28 14.404 3.269 -15.325 49 HZ2 LYS 28 1HZ LYS 28 15.992 3.857 -15.226 50 HZ3 LYS 28 2HZ LYS 28 15.322 3.474 -16.740 51 H LYS 29 H LYS 29 10.798 4.556 -13.433 52 HA LYS 29 HA LYS 29 8.329 3.720 -12.545 53 HB2 LYS 29 2HB LYS 29 11.158 2.842 -12.230 54 HB3 LYS 29 1HB LYS 29 9.951 2.016 -11.244 55 HG2 LYS 29 2HG LYS 29 10.220 0.826 -13.365 56 HG3 LYS 29 1HG LYS 29 8.620 1.566 -13.304 57 HD2 LYS 29 2HD LYS 29 9.228 3.291 -14.796 58 HD3 LYS 29 1HD LYS 29 10.952 3.018 -14.548 59 HE2 LYS 29 2HE LYS 29 10.094 2.132 -16.756 60 HE3 LYS 29 1HE LYS 29 10.825 0.878 -15.733 61 HZ1 LYS 29 3HZ LYS 29 8.024 1.418 -15.221 62 HZ2 LYS 29 1HZ LYS 29 8.842 -0.065 -15.312 63 HZ3 LYS 29 2HZ LYS 29 8.346 0.717 -16.735 64 H LYS 30 H LYS 30 7.343 3.460 -10.472 65 HA LYS 30 HA LYS 30 7.540 5.467 -8.565 66 HB2 LYS 30 2HB LYS 30 6.529 2.683 -8.714 67 HB3 LYS 30 1HB LYS 30 6.701 3.349 -7.090 68 HG2 LYS 30 2HG LYS 30 5.332 4.910 -9.278 69 HG3 LYS 30 1HG LYS 30 4.450 3.733 -8.304 70 HD2 LYS 30 2HD LYS 30 4.744 4.950 -6.327 71 HD3 LYS 30 1HD LYS 30 6.139 5.827 -6.959 72 HE2 LYS 30 2HE LYS 30 3.953 6.418 -8.685 73 HE3 LYS 30 1HE LYS 30 3.378 6.622 -7.019 74 HZ1 LYS 30 3HZ LYS 30 4.563 8.600 -7.948 75 HZ2 LYS 30 1HZ LYS 30 5.979 7.668 -7.994 76 HZ3 LYS 30 2HZ LYS 30 5.228 7.996 -6.505 77 H GLY 31 H GLY 31 8.881 5.877 -6.819 78 HA2 GLY 31 2HA GLY 31 10.904 5.767 -5.612 79 HA3 GLY 31 1HA GLY 31 10.265 4.186 -5.173 80 HA PRO 32 HA PRO 32 14.301 3.587 -7.308 81 HB2 PRO 32 2HB PRO 32 15.217 1.738 -5.543 82 HB3 PRO 32 1HB PRO 32 15.441 3.492 -5.339 83 HG2 PRO 32 2HG PRO 32 13.407 1.695 -4.142 84 HG3 PRO 32 1HG PRO 32 14.343 2.998 -3.396 85 HD2 PRO 32 2HD PRO 32 11.775 3.320 -4.135 86 HD3 PRO 32 1HD PRO 32 12.961 4.644 -4.223 87 H GLU 33 H GLU 33 15.046 1.576 -8.395 88 HA GLU 33 HA GLU 33 12.851 -0.305 -8.805 89 HB2 GLU 33 2HB GLU 33 13.420 0.198 -10.948 90 HB3 GLU 33 1HB GLU 33 14.745 1.164 -10.291 91 HG2 GLU 33 2HG GLU 33 15.854 -0.357 -11.672 92 HG3 GLU 33 1HG GLU 33 16.014 -1.081 -10.077 93 H LYS 34 H LYS 34 15.039 -0.145 -6.780 94 HA LYS 34 HA LYS 34 16.880 -2.241 -6.892 95 HB2 LYS 34 2HB LYS 34 15.732 -0.330 -5.134 96 HB3 LYS 34 1HB LYS 34 15.838 -1.850 -4.289 97 HG2 LYS 34 2HG LYS 34 18.108 -0.595 -5.833 98 HG3 LYS 34 1HG LYS 34 17.896 -0.420 -4.091 99 HD2 LYS 34 2HD LYS 34 18.882 -2.415 -3.736 100 HD3 LYS 34 1HD LYS 34 17.715 -3.205 -4.796 101 HE2 LYS 34 2HE LYS 34 19.081 -2.530 -6.772 102 HE3 LYS 34 1HE LYS 34 20.287 -1.844 -5.666 103 HZ1 LYS 34 3HZ LYS 34 19.397 -4.506 -4.979 104 HZ2 LYS 34 1HZ LYS 34 20.967 -3.865 -5.013 105 HZ3 LYS 34 2HZ LYS 34 20.246 -4.420 -6.448 106 H THR 35 H THR 35 16.731 -4.402 -5.808 107 HA THR 35 HA THR 35 14.126 -5.402 -5.046 108 HB THR 35 HB THR 35 15.302 -6.794 -7.360 109 HG1 THR 35 1HG THR 35 13.731 -5.205 -8.502 110 HG21 THR 35 3HG2 THR 35 12.463 -6.159 -6.547 111 HG22 THR 35 1HG2 THR 35 13.310 -7.664 -6.190 112 HG23 THR 35 2HG2 THR 35 12.945 -7.232 -7.861 113 H ASP 36 H ASP 36 17.546 -5.945 -5.409 114 HA ASP 36 HA ASP 36 17.303 -8.590 -4.063 115 HB2 ASP 36 2HB ASP 36 18.745 -7.814 -6.226 116 HB3 ASP 36 1HB ASP 36 19.924 -7.538 -4.944 117 H GLU 37 H GLU 37 19.684 -6.041 -3.890 118 HA GLU 37 HA GLU 37 20.286 -6.491 -1.137 119 HB2 GLU 37 2HB GLU 37 20.882 -4.493 -3.259 120 HB3 GLU 37 1HB GLU 37 21.163 -3.984 -1.593 121 HG2 GLU 37 2HG GLU 37 22.243 -6.529 -1.642 122 HG3 GLU 37 1HG GLU 37 22.664 -5.898 -3.235 123 H TYR 38 H TYR 38 17.741 -4.984 -2.749 124 HA TYR 38 HA TYR 38 17.019 -3.026 -0.749 125 HB2 TYR 38 2HB TYR 38 15.715 -2.327 -2.456 126 HB3 TYR 38 1HB TYR 38 16.557 -3.532 -3.412 127 HD1 TYR 38 1HD TYR 38 15.515 -6.068 -2.659 128 HD2 TYR 38 2HD TYR 38 13.482 -2.311 -2.946 129 HE1 TYR 38 1HE TYR 38 13.364 -7.259 -2.990 130 HE2 TYR 38 2HE TYR 38 11.326 -3.488 -3.285 131 HH TYR 38 HH TYR 38 10.931 -6.791 -2.671 132 H LEU 39 H LEU 39 16.494 -6.418 -1.166 133 HA LEU 39 HA LEU 39 14.079 -6.966 0.048 134 HB2 LEU 39 2HB LEU 39 16.729 -8.178 -0.221 135 HB3 LEU 39 1HB LEU 39 15.880 -8.723 1.220 136 HG LEU 39 HG LEU 39 15.214 -10.224 -0.480 137 HD11 LEU 39 1HD1 LEU 39 13.362 -8.630 0.771 138 HD12 LEU 39 2HD1 LEU 39 12.981 -10.077 -0.163 139 HD13 LEU 39 3HD1 LEU 39 12.896 -8.487 -0.923 140 HD21 LEU 39 3HD2 LEU 39 14.963 -7.748 -2.178 141 HD22 LEU 39 1HD2 LEU 39 14.274 -9.294 -2.669 142 HD23 LEU 39 2HD2 LEU 39 16.017 -9.135 -2.441 143 H LEU 40 H LEU 40 17.192 -6.527 1.732 144 HA LEU 40 HA LEU 40 16.189 -6.488 4.367 145 HB2 LEU 40 2HB LEU 40 18.586 -5.444 2.906 146 HB3 LEU 40 1HB LEU 40 18.395 -5.102 4.627 147 HG LEU 40 HG LEU 40 19.683 -7.240 3.997 148 HD11 LEU 40 1HD1 LEU 40 19.200 -7.328 6.229 149 HD12 LEU 40 2HD1 LEU 40 17.993 -8.514 5.731 150 HD13 LEU 40 3HD1 LEU 40 17.526 -6.832 5.978 151 HD21 LEU 40 3HD2 LEU 40 16.840 -8.127 3.408 152 HD22 LEU 40 1HD2 LEU 40 18.217 -9.216 3.574 153 HD23 LEU 40 2HD2 LEU 40 18.167 -8.053 2.248 154 H ALA 41 H ALA 41 16.211 -4.063 1.882 155 HA ALA 41 HA ALA 41 15.822 -1.743 3.457 156 HB1 ALA 41 1HB ALA 41 15.363 -0.752 1.374 157 HB2 ALA 41 2HB ALA 41 14.539 -2.193 0.775 158 HB3 ALA 41 3HB ALA 41 16.298 -2.172 0.903 159 H ARG 42 H ARG 42 13.494 -3.899 1.837 160 HA ARG 42 HA ARG 42 11.233 -2.705 3.183 161 HB2 ARG 42 2HB ARG 42 11.812 -4.639 1.023 162 HB3 ARG 42 1HB ARG 42 10.272 -4.845 1.858 163 HG2 ARG 42 2HG ARG 42 10.614 -2.059 1.362 164 HG3 ARG 42 1HG ARG 42 10.953 -2.913 -0.143 165 HD2 ARG 42 2HD ARG 42 8.719 -4.247 0.785 166 HD3 ARG 42 1HD ARG 42 8.393 -2.567 1.258 167 HE ARG 42 HE ARG 42 9.404 -2.370 -1.328 168 HH11 ARG 42 1HH1 ARG 42 6.523 -2.989 0.308 169 HH12 ARG 42 2HH1 ARG 42 5.623 -3.444 -1.099 170 HH21 ARG 42 1HH2 ARG 42 8.381 -3.406 -3.200 171 HH22 ARG 42 2HH2 ARG 42 6.674 -3.677 -3.087 172 H PHE 43 H PHE 43 13.435 -5.230 3.748 173 HA PHE 43 HA PHE 43 12.173 -7.342 4.940 174 HB2 PHE 43 2HB PHE 43 14.641 -5.805 5.255 175 HB3 PHE 43 1HB PHE 43 14.178 -6.642 6.733 176 HD1 PHE 43 1HD PHE 43 13.237 -7.874 3.390 177 HD2 PHE 43 2HD PHE 43 16.024 -8.235 6.640 178 HE1 PHE 43 1HE PHE 43 14.093 -9.992 2.423 179 HE2 PHE 43 2HE PHE 43 16.876 -10.355 5.676 180 HZ PHE 43 HZ PHE 43 15.911 -11.233 3.566 181 H LYS 44 H LYS 44 12.662 -4.138 6.443 182 HA LYS 44 HA LYS 44 11.415 -4.832 8.881 183 HB2 LYS 44 2HB LYS 44 12.417 -2.377 7.532 184 HB3 LYS 44 1HB LYS 44 11.549 -2.243 9.065 185 HG2 LYS 44 2HG LYS 44 13.967 -2.462 9.444 186 HG3 LYS 44 1HG LYS 44 13.095 -3.852 10.082 187 HD2 LYS 44 2HD LYS 44 13.762 -5.239 8.299 188 HD3 LYS 44 1HD LYS 44 14.263 -3.865 7.311 189 HE2 LYS 44 2HE LYS 44 16.366 -4.127 8.120 190 HE3 LYS 44 1HE LYS 44 15.750 -3.701 9.729 191 HZ1 LYS 44 3HZ LYS 44 15.850 -6.392 8.485 192 HZ2 LYS 44 1HZ LYS 44 14.935 -6.052 9.872 193 HZ3 LYS 44 2HZ LYS 44 16.624 -5.879 9.907 194 H GLY 45 H GLY 45 9.896 -4.812 6.152 195 HA2 GLY 45 2HA GLY 45 7.455 -3.518 7.260 196 HA3 GLY 45 1HA GLY 45 7.906 -3.279 5.579 197 H ASP 46 H ASP 46 7.244 -4.747 4.114 198 HA ASP 46 HA ASP 46 5.526 -6.947 5.031 199 HB2 ASP 46 2HB ASP 46 6.223 -6.125 2.209 200 HB3 ASP 46 1HB ASP 46 4.743 -6.873 2.800 201 H GLY 47 H GLY 47 8.498 -7.213 5.359 202 HA2 GLY 47 2HA GLY 47 9.296 -9.112 3.266 203 HA3 GLY 47 1HA GLY 47 10.264 -8.644 4.664 204 H VAL 48 H VAL 48 8.667 -9.120 6.667 205 HA VAL 48 HA VAL 48 8.921 -11.839 7.273 206 HB VAL 48 HB VAL 48 8.776 -10.445 9.124 207 HG11 VAL 48 1HG1 VAL 48 6.965 -8.879 7.384 208 HG12 VAL 48 2HG1 VAL 48 8.240 -8.328 8.470 209 HG13 VAL 48 3HG1 VAL 48 6.661 -8.776 9.117 210 HG21 VAL 48 3HG2 VAL 48 6.988 -12.183 9.306 211 HG22 VAL 48 1HG2 VAL 48 5.847 -10.963 8.737 212 HG23 VAL 48 2HG2 VAL 48 6.703 -10.725 10.262 213 H LYS 49 H LYS 49 5.993 -10.020 6.313 214 HA LYS 49 HA LYS 49 4.027 -11.890 6.574 215 HB2 LYS 49 2HB LYS 49 3.165 -10.814 4.391 216 HB3 LYS 49 1HB LYS 49 3.496 -9.765 5.766 217 HG2 LYS 49 2HG LYS 49 4.991 -8.616 4.565 218 HG3 LYS 49 1HG LYS 49 5.904 -10.082 4.234 219 HD2 LYS 49 2HD LYS 49 5.119 -8.980 2.146 220 HD3 LYS 49 1HD LYS 49 4.428 -10.592 2.338 221 HE2 LYS 49 2HE LYS 49 2.349 -9.608 3.243 222 HE3 LYS 49 1HE LYS 49 3.041 -7.984 3.058 223 HZ1 LYS 49 3HZ LYS 49 3.483 -8.660 0.674 224 HZ2 LYS 49 1HZ LYS 49 1.863 -8.365 1.081 225 HZ3 LYS 49 2HZ LYS 49 2.426 -9.962 0.943 226 H TYR 50 H TYR 50 5.918 -11.681 3.494 227 HA TYR 50 HA TYR 50 4.965 -14.326 2.771 228 HB2 TYR 50 2HB TYR 50 6.110 -13.773 0.705 229 HB3 TYR 50 1HB TYR 50 5.120 -12.420 1.238 230 HD1 TYR 50 2HD TYR 50 8.598 -13.754 1.658 231 HD2 TYR 50 1HD TYR 50 6.055 -10.329 1.254 232 HE1 TYR 50 2HE TYR 50 10.597 -12.281 1.617 233 HE2 TYR 50 1HE TYR 50 8.048 -8.847 1.208 234 HH TYR 50 HH TYR 50 11.340 -10.189 1.537 235 H LYS 51 H LYS 51 7.897 -12.869 4.079 236 HA LYS 51 HA LYS 51 9.826 -14.782 3.501 237 HB2 LYS 51 2HB LYS 51 9.171 -12.926 5.719 238 HB3 LYS 51 1HB LYS 51 10.390 -14.150 6.055 239 HG2 LYS 51 2HG LYS 51 10.756 -12.890 3.441 240 HG3 LYS 51 1HG LYS 51 10.852 -11.736 4.772 241 HD2 LYS 51 2HD LYS 51 12.295 -14.327 5.098 242 HD3 LYS 51 1HD LYS 51 12.983 -13.148 3.981 243 HE2 LYS 51 2HE LYS 51 13.498 -11.654 5.661 244 HE3 LYS 51 1HE LYS 51 12.096 -12.123 6.644 245 HZ1 LYS 51 3HZ LYS 51 14.329 -12.936 7.459 246 HZ2 LYS 51 1HZ LYS 51 14.355 -13.964 6.110 247 HZ3 LYS 51 2HZ LYS 51 13.128 -14.123 7.274 248 H ALA 52 H ALA 52 7.655 -14.769 6.227 249 HA ALA 52 HA ALA 52 8.195 -17.253 7.360 250 HB1 ALA 52 1HB ALA 52 6.785 -15.684 8.463 251 HB2 ALA 52 2HB ALA 52 5.740 -17.049 8.068 252 HB3 ALA 52 3HB ALA 52 5.707 -15.594 7.070 253 H LYS 53 H LYS 53 5.691 -16.485 5.074 254 HA LYS 53 HA LYS 53 4.791 -19.134 4.600 255 HB2 LYS 53 2HB LYS 53 4.582 -16.467 3.219 256 HB3 LYS 53 1HB LYS 53 3.775 -17.893 2.581 257 HG2 LYS 53 2HG LYS 53 3.034 -18.064 5.183 258 HG3 LYS 53 1HG LYS 53 3.169 -16.313 5.010 259 HD2 LYS 53 2HD LYS 53 1.642 -18.021 3.036 260 HD3 LYS 53 1HD LYS 53 0.883 -17.314 4.462 261 HE2 LYS 53 2HE LYS 53 1.315 -15.084 3.713 262 HE3 LYS 53 1HE LYS 53 2.440 -15.649 2.464 263 HZ1 LYS 53 3HZ LYS 53 -0.492 -16.048 2.595 264 HZ2 LYS 53 1HZ LYS 53 0.500 -17.001 1.602 265 HZ3 LYS 53 2HZ LYS 53 0.413 -15.322 1.352 266 H LEU 54 H LEU 54 6.808 -17.013 2.470 267 HA LEU 54 HA LEU 54 7.257 -18.749 0.400 268 HB2 LEU 54 2HB LEU 54 8.954 -16.724 1.788 269 HB3 LEU 54 1HB LEU 54 9.340 -17.404 0.197 270 HG LEU 54 HG LEU 54 6.837 -15.932 0.987 271 HD11 LEU 54 1HD1 LEU 54 9.202 -14.936 0.206 272 HD12 LEU 54 2HD1 LEU 54 7.659 -14.186 -0.204 273 HD13 LEU 54 3HD1 LEU 54 8.467 -15.235 -1.369 274 HD21 LEU 54 3HD2 LEU 54 7.454 -17.738 -1.313 275 HD22 LEU 54 1HD2 LEU 54 6.431 -16.330 -1.600 276 HD23 LEU 54 2HD2 LEU 54 5.950 -17.544 -0.415 277 H ILE 55 H ILE 55 8.449 -18.909 3.630 278 HA ILE 55 HA ILE 55 10.690 -20.575 3.228 279 HB ILE 55 HB ILE 55 9.096 -19.178 5.199 280 HG12 ILE 55 2HG1 ILE 55 11.069 -18.371 5.899 281 HG13 ILE 55 1HG1 ILE 55 11.956 -19.862 5.580 282 HG21 ILE 55 1HG2 ILE 55 8.646 -21.124 6.246 283 HG22 ILE 55 2HG2 ILE 55 10.114 -20.561 7.049 284 HG23 ILE 55 3HG2 ILE 55 10.204 -21.830 5.823 285 HD11 ILE 55 3HD1 ILE 55 12.255 -17.731 4.023 286 HD12 ILE 55 1HD1 ILE 55 10.773 -18.339 3.285 287 HD13 ILE 55 2HD1 ILE 55 12.217 -19.351 3.326 288 H GLY 56 H GLY 56 7.506 -21.154 4.709 289 HA2 GLY 56 2HA GLY 56 6.320 -23.195 3.660 290 HA3 GLY 56 1HA GLY 56 7.801 -23.987 4.102 291 H ILE 57 H ILE 57 5.813 -21.697 5.837 292 HA ILE 57 HA ILE 57 6.078 -23.037 8.304 293 HB ILE 57 HB ILE 57 4.725 -21.110 8.988 294 HG12 ILE 57 2HG1 ILE 57 4.867 -19.990 6.238 295 HG13 ILE 57 1HG1 ILE 57 3.633 -21.224 6.502 296 HG21 ILE 57 1HG2 ILE 57 6.390 -19.424 8.108 297 HG22 ILE 57 2HG2 ILE 57 7.036 -20.718 7.099 298 HG23 ILE 57 3HG2 ILE 57 7.097 -20.856 8.856 299 HD11 ILE 57 3HD1 ILE 57 3.721 -19.307 8.695 300 HD12 ILE 57 1HD1 ILE 57 2.352 -19.805 7.701 301 HD13 ILE 57 2HD1 ILE 57 3.419 -18.514 7.149 302 H ASP 58 H ASP 58 3.220 -21.961 8.355 303 HA ASP 58 HA ASP 58 1.803 -24.361 8.741 304 HB2 ASP 58 2HB ASP 58 1.259 -21.959 9.451 305 HB3 ASP 58 1HB ASP 58 0.596 -21.744 7.824 Start of MODEL 2 1 H SER 24 H SER 24 5.041 13.230 35.294 2 HA SER 24 HA SER 24 7.365 13.844 36.848 3 HB2 SER 24 2HB SER 24 7.351 11.502 38.018 4 HB3 SER 24 1HB SER 24 6.407 12.808 38.729 5 HG SER 24 HG SER 24 5.524 10.486 38.007 6 H LYS 25 H LYS 25 5.836 10.873 35.529 7 HA LYS 25 HA LYS 25 8.084 9.678 34.400 8 HB2 LYS 25 2HB LYS 25 5.353 9.305 34.462 9 HB3 LYS 25 1HB LYS 25 5.658 9.568 32.745 10 HG2 LYS 25 2HG LYS 25 6.238 7.381 32.684 11 HG3 LYS 25 1HG LYS 25 7.730 7.893 33.474 12 HD2 LYS 25 2HD LYS 25 7.151 6.553 35.194 13 HD3 LYS 25 1HD LYS 25 5.876 7.717 35.556 14 HE2 LYS 25 2HE LYS 25 4.367 6.489 33.966 15 HE3 LYS 25 1HE LYS 25 5.635 5.258 33.789 16 HZ1 LYS 25 3HZ LYS 25 4.720 6.144 36.455 17 HZ2 LYS 25 1HZ LYS 25 5.537 4.718 36.037 18 HZ3 LYS 25 2HZ LYS 25 3.902 4.911 35.620 19 H LYS 26 H LYS 26 8.895 9.688 32.170 20 HA LYS 26 HA LYS 26 9.371 12.269 31.087 21 HB2 LYS 26 2HB LYS 26 9.567 9.515 29.833 22 HB3 LYS 26 1HB LYS 26 10.401 10.960 29.260 23 HG2 LYS 26 2HG LYS 26 10.916 10.668 32.065 24 HG3 LYS 26 1HG LYS 26 11.259 9.131 31.268 25 HD2 LYS 26 2HD LYS 26 12.692 10.282 29.632 26 HD3 LYS 26 1HD LYS 26 12.335 11.831 30.398 27 HE2 LYS 26 2HE LYS 26 13.344 9.700 32.214 28 HE3 LYS 26 1HE LYS 26 14.514 10.364 31.056 29 HZ1 LYS 26 3HZ LYS 26 12.726 12.253 32.379 30 HZ2 LYS 26 1HZ LYS 26 14.349 12.440 31.922 31 HZ3 LYS 26 2HZ LYS 26 13.958 11.577 33.334 32 H GLU 27 H GLU 27 6.626 10.265 30.833 33 HA GLU 27 HA GLU 27 4.670 10.402 29.528 34 HB2 GLU 27 2HB GLU 27 4.666 12.676 30.296 35 HB3 GLU 27 1HB GLU 27 5.948 13.122 29.173 36 HG2 GLU 27 2HG GLU 27 4.010 13.916 28.098 37 HG3 GLU 27 1HG GLU 27 4.272 12.354 27.324 38 H LYS 28 H LYS 28 4.369 9.358 27.606 39 HA LYS 28 HA LYS 28 6.187 8.649 25.700 40 HB2 LYS 28 2HB LYS 28 4.190 8.449 24.227 41 HB3 LYS 28 1HB LYS 28 3.869 7.892 25.869 42 HG2 LYS 28 2HG LYS 28 2.283 9.459 26.171 43 HG3 LYS 28 1HG LYS 28 3.368 10.739 25.628 44 HD2 LYS 28 2HD LYS 28 2.515 10.739 23.521 45 HD3 LYS 28 1HD LYS 28 2.389 8.980 23.473 46 HE2 LYS 28 2HE LYS 28 0.524 10.298 25.362 47 HE3 LYS 28 1HE LYS 28 0.216 10.619 23.643 48 HZ1 LYS 28 3HZ LYS 28 -0.854 8.563 24.300 49 HZ2 LYS 28 1HZ LYS 28 0.615 7.946 24.883 50 HZ3 LYS 28 2HZ LYS 28 0.416 8.231 23.220 51 H LYS 29 H LYS 29 7.690 10.417 25.269 52 HA LYS 29 HA LYS 29 7.043 12.995 24.381 53 HB2 LYS 29 2HB LYS 29 9.315 11.142 24.385 54 HB3 LYS 29 1HB LYS 29 9.372 12.308 23.063 55 HG2 LYS 29 2HG LYS 29 8.593 13.475 25.653 56 HG3 LYS 29 1HG LYS 29 10.229 12.818 25.624 57 HD2 LYS 29 2HD LYS 29 10.419 14.084 23.339 58 HD3 LYS 29 1HD LYS 29 9.049 15.016 23.945 59 HE2 LYS 29 2HE LYS 29 11.724 14.670 25.355 60 HE3 LYS 29 1HE LYS 29 11.135 16.150 24.573 61 HZ1 LYS 29 3HZ LYS 29 10.427 15.048 27.125 62 HZ2 LYS 29 1HZ LYS 29 9.062 15.363 26.169 63 HZ3 LYS 29 2HZ LYS 29 10.163 16.611 26.515 64 H LYS 30 H LYS 30 7.477 13.770 22.036 65 HA LYS 30 HA LYS 30 5.604 12.809 20.229 66 HB2 LYS 30 2HB LYS 30 6.852 14.184 18.651 67 HB3 LYS 30 1HB LYS 30 6.872 14.956 20.235 68 HG2 LYS 30 2HG LYS 30 9.097 13.416 20.433 69 HG3 LYS 30 1HG LYS 30 9.100 13.740 18.699 70 HD2 LYS 30 2HD LYS 30 9.050 16.127 19.074 71 HD3 LYS 30 1HD LYS 30 8.809 15.898 20.807 72 HE2 LYS 30 2HE LYS 30 11.065 14.573 20.709 73 HE3 LYS 30 1HE LYS 30 11.304 15.437 19.177 74 HZ1 LYS 30 3HZ LYS 30 12.124 16.932 20.721 75 HZ2 LYS 30 1HZ LYS 30 10.956 16.544 21.888 76 HZ3 LYS 30 2HZ LYS 30 10.523 17.469 20.531 77 H GLY 31 H GLY 31 5.715 10.468 20.106 78 HA2 GLY 31 2HA GLY 31 6.459 8.406 19.300 79 HA3 GLY 31 1HA GLY 31 7.098 9.360 17.968 80 HA PRO 32 HA PRO 32 10.507 7.436 20.569 81 HB2 PRO 32 2HB PRO 32 11.442 5.684 18.725 82 HB3 PRO 32 1HB PRO 32 10.183 5.276 19.916 83 HG2 PRO 32 2HG PRO 32 9.909 6.061 17.073 84 HG3 PRO 32 1HG PRO 32 9.058 4.810 17.991 85 HD2 PRO 32 2HD PRO 32 7.952 7.210 17.416 86 HD3 PRO 32 1HD PRO 32 7.568 6.301 18.896 87 H GLU 33 H GLU 33 12.809 7.853 20.182 88 HA GLU 33 HA GLU 33 13.261 9.821 18.080 89 HB2 GLU 33 2HB GLU 33 14.300 10.789 19.856 90 HB3 GLU 33 1HB GLU 33 13.908 9.330 20.773 91 HG2 GLU 33 2HG GLU 33 16.230 9.450 20.969 92 HG3 GLU 33 1HG GLU 33 16.006 8.306 19.651 93 H LYS 34 H LYS 34 13.227 6.827 18.055 94 HA LYS 34 HA LYS 34 15.786 5.818 17.303 95 HB2 LYS 34 2HB LYS 34 13.045 5.079 17.666 96 HB3 LYS 34 1HB LYS 34 13.670 4.338 16.216 97 HG2 LYS 34 2HG LYS 34 15.304 4.303 18.724 98 HG3 LYS 34 1HG LYS 34 13.977 3.155 18.548 99 HD2 LYS 34 2HD LYS 34 14.954 2.178 16.596 100 HD3 LYS 34 1HD LYS 34 16.122 3.491 16.443 101 HE2 LYS 34 2HE LYS 34 17.071 1.353 17.445 102 HE3 LYS 34 1HE LYS 34 17.268 2.784 18.475 103 HZ1 LYS 34 3HZ LYS 34 15.610 2.130 19.878 104 HZ2 LYS 34 1HZ LYS 34 16.179 0.602 19.412 105 HZ3 LYS 34 2HZ LYS 34 14.783 1.246 18.687 106 H THR 35 H THR 35 16.428 5.208 15.091 107 HA THR 35 HA THR 35 14.882 6.060 12.818 108 HB THR 35 HB THR 35 17.393 7.514 12.859 109 HG1 THR 35 1HG THR 35 16.428 9.128 14.287 110 HG21 THR 35 3HG2 THR 35 14.956 7.632 11.539 111 HG22 THR 35 1HG2 THR 35 16.249 8.826 11.432 112 HG23 THR 35 2HG2 THR 35 14.938 9.048 12.592 113 H ASP 36 H ASP 36 17.896 4.853 14.118 114 HA ASP 36 HA ASP 36 18.679 3.828 11.435 115 HB2 ASP 36 2HB ASP 36 20.310 5.111 12.818 116 HB3 ASP 36 1HB ASP 36 20.162 3.878 14.070 117 H GLU 37 H GLU 37 18.992 2.558 14.672 118 HA GLU 37 HA GLU 37 18.768 -0.172 13.935 119 HB2 GLU 37 2HB GLU 37 18.643 1.487 16.402 120 HB3 GLU 37 1HB GLU 37 18.006 -0.154 16.520 121 HG2 GLU 37 2HG GLU 37 20.473 -0.247 15.075 122 HG3 GLU 37 1HG GLU 37 20.734 0.668 16.560 123 H TYR 38 H TYR 38 16.504 2.328 14.217 124 HA TYR 38 HA TYR 38 14.149 0.739 14.771 125 HB2 TYR 38 2HB TYR 38 13.338 2.806 15.185 126 HB3 TYR 38 1HB TYR 38 14.984 3.363 14.943 127 HD1 TYR 38 2HD TYR 38 15.468 3.279 12.122 128 HD2 TYR 38 1HD TYR 38 11.861 4.241 14.222 129 HE1 TYR 38 2HE TYR 38 14.688 4.604 10.176 130 HE2 TYR 38 1HE TYR 38 11.074 5.577 12.289 131 HH TYR 38 HH TYR 38 11.473 5.715 9.869 132 H LEU 39 H LEU 39 15.984 1.505 11.952 133 HA LEU 39 HA LEU 39 14.205 1.549 9.844 134 HB2 LEU 39 2HB LEU 39 16.917 0.581 10.404 135 HB3 LEU 39 1HB LEU 39 16.160 -0.228 9.039 136 HG LEU 39 HG LEU 39 17.213 1.636 8.075 137 HD11 LEU 39 1HD1 LEU 39 14.687 3.100 8.491 138 HD12 LEU 39 2HD1 LEU 39 14.508 1.439 7.924 139 HD13 LEU 39 3HD1 LEU 39 15.462 2.592 6.990 140 HD21 LEU 39 3HD2 LEU 39 17.961 3.116 9.625 141 HD22 LEU 39 1HD2 LEU 39 16.565 2.860 10.670 142 HD23 LEU 39 2HD2 LEU 39 16.446 3.958 9.296 143 H LEU 40 H LEU 40 15.576 -1.435 11.265 144 HA LEU 40 HA LEU 40 13.887 -3.252 9.901 145 HB2 LEU 40 2HB LEU 40 15.546 -3.222 12.402 146 HB3 LEU 40 1HB LEU 40 14.589 -4.650 12.005 147 HG LEU 40 HG LEU 40 17.024 -4.544 11.136 148 HD11 LEU 40 1HD1 LEU 40 14.527 -5.402 9.839 149 HD12 LEU 40 2HD1 LEU 40 16.018 -6.304 10.107 150 HD13 LEU 40 3HD1 LEU 40 15.878 -5.224 8.720 151 HD21 LEU 40 3HD2 LEU 40 17.252 -3.378 8.953 152 HD22 LEU 40 1HD2 LEU 40 16.938 -2.245 10.267 153 HD23 LEU 40 2HD2 LEU 40 15.638 -2.699 9.163 154 H ALA 41 H ALA 41 13.461 -1.437 12.896 155 HA ALA 41 HA ALA 41 11.343 -2.703 14.134 156 HB1 ALA 41 1HB ALA 41 11.178 0.247 13.606 157 HB2 ALA 41 2HB ALA 41 12.599 -0.375 14.447 158 HB3 ALA 41 3HB ALA 41 10.991 -0.619 15.131 159 H ARG 42 H ARG 42 11.345 -0.901 11.119 160 HA ARG 42 HA ARG 42 8.479 -1.092 10.761 161 HB2 ARG 42 2HB ARG 42 10.808 0.151 9.351 162 HB3 ARG 42 1HB ARG 42 9.222 0.096 8.581 163 HG2 ARG 42 2HG ARG 42 9.151 1.017 11.373 164 HG3 ARG 42 1HG ARG 42 10.064 2.076 10.299 165 HD2 ARG 42 2HD ARG 42 8.181 2.400 8.856 166 HD3 ARG 42 1HD ARG 42 7.284 1.071 9.617 167 HE ARG 42 HE ARG 42 8.112 3.238 11.436 168 HH11 ARG 42 1HH2 ARG 42 5.804 1.316 11.862 169 HH12 ARG 42 2HH2 ARG 42 4.442 2.345 11.569 170 HH21 ARG 42 1HH1 ARG 42 6.309 4.812 10.003 171 HH22 ARG 42 2HH1 ARG 42 4.729 4.326 10.518 172 H PHE 43 H PHE 43 11.275 -2.875 9.890 173 HA PHE 43 HA PHE 43 10.785 -3.953 7.385 174 HB2 PHE 43 2HB PHE 43 12.134 -4.722 9.874 175 HB3 PHE 43 1HB PHE 43 11.668 -6.092 8.881 176 HD1 PHE 43 1HD PHE 43 12.770 -2.624 8.026 177 HD2 PHE 43 2HD PHE 43 13.531 -6.835 7.698 178 HE1 PHE 43 1HE PHE 43 14.675 -2.157 6.504 179 HE2 PHE 43 2HE PHE 43 15.437 -6.374 6.175 180 HZ PHE 43 HZ PHE 43 16.009 -4.034 5.578 181 H LYS 44 H LYS 44 8.840 -4.418 10.234 182 HA LYS 44 HA LYS 44 7.749 -6.922 9.622 183 HB2 LYS 44 2HB LYS 44 7.067 -4.586 11.323 184 HB3 LYS 44 1HB LYS 44 5.928 -5.932 11.209 185 HG2 LYS 44 2HG LYS 44 7.539 -6.216 13.078 186 HG3 LYS 44 1HG LYS 44 7.661 -7.499 11.877 187 HD2 LYS 44 2HD LYS 44 9.608 -6.480 10.887 188 HD3 LYS 44 1HD LYS 44 9.436 -5.053 11.910 189 HE2 LYS 44 2HE LYS 44 9.874 -7.849 13.018 190 HE3 LYS 44 1HE LYS 44 11.184 -6.684 12.742 191 HZ1 LYS 44 3HZ LYS 44 9.027 -6.614 14.702 192 HZ2 LYS 44 1HZ LYS 44 9.438 -5.134 13.983 193 HZ3 LYS 44 2HZ LYS 44 10.616 -6.027 14.817 194 H GLY 45 H GLY 45 7.551 -4.573 7.571 195 HA2 GLY 45 2HA GLY 45 4.659 -4.527 7.056 196 HA3 GLY 45 1HA GLY 45 5.875 -3.626 6.167 197 H ASP 46 H ASP 46 6.895 -4.601 4.441 198 HA ASP 46 HA ASP 46 5.583 -7.041 3.389 199 HB2 ASP 46 2HB ASP 46 7.436 -5.800 1.557 200 HB3 ASP 46 1HB ASP 46 5.685 -5.944 1.433 201 H GLY 47 H GLY 47 7.126 -7.913 5.277 202 HA2 GLY 47 2HA GLY 47 9.505 -9.011 3.874 203 HA3 GLY 47 1HA GLY 47 9.728 -8.280 5.466 204 H VAL 48 H VAL 48 8.451 -9.188 7.212 205 HA VAL 48 HA VAL 48 8.749 -11.934 7.583 206 HB VAL 48 HB VAL 48 8.515 -10.733 9.552 207 HG11 VAL 48 1HG1 VAL 48 6.504 -9.074 9.765 208 HG12 VAL 48 2HG1 VAL 48 6.529 -9.119 8.004 209 HG13 VAL 48 3HG1 VAL 48 7.953 -8.582 8.891 210 HG21 VAL 48 3HG2 VAL 48 6.811 -12.527 9.586 211 HG22 VAL 48 1HG2 VAL 48 5.629 -11.360 8.994 212 HG23 VAL 48 2HG2 VAL 48 6.371 -11.136 10.579 213 H LYS 49 H LYS 49 5.825 -10.126 6.651 214 HA LYS 49 HA LYS 49 3.849 -11.994 6.730 215 HB2 LYS 49 2HB LYS 49 3.185 -10.834 4.465 216 HB3 LYS 49 1HB LYS 49 3.285 -9.890 5.947 217 HG2 LYS 49 2HG LYS 49 5.022 -8.673 5.181 218 HG3 LYS 49 1HG LYS 49 5.846 -10.084 4.536 219 HD2 LYS 49 2HD LYS 49 5.289 -8.721 2.647 220 HD3 LYS 49 1HD LYS 49 4.138 -10.057 2.640 221 HE2 LYS 49 2HE LYS 49 2.499 -8.585 3.855 222 HE3 LYS 49 1HE LYS 49 3.638 -7.238 3.654 223 HZ1 LYS 49 3HZ LYS 49 2.015 -7.381 1.820 224 HZ2 LYS 49 1HZ LYS 49 2.605 -8.923 1.435 225 HZ3 LYS 49 2HZ LYS 49 3.617 -7.566 1.286 226 H TYR 50 H TYR 50 5.908 -11.686 3.746 227 HA TYR 50 HA TYR 50 5.020 -14.352 2.951 228 HB2 TYR 50 2HB TYR 50 6.195 -13.676 0.889 229 HB3 TYR 50 1HB TYR 50 5.005 -12.488 1.410 230 HD1 TYR 50 2HD TYR 50 8.621 -13.333 1.896 231 HD2 TYR 50 1HD TYR 50 5.634 -10.286 1.510 232 HE1 TYR 50 2HE TYR 50 10.395 -11.598 1.979 233 HE2 TYR 50 1HE TYR 50 7.396 -8.542 1.586 234 HH TYR 50 HH TYR 50 10.147 -8.678 0.931 235 H LYS 51 H LYS 51 7.903 -12.765 4.223 236 HA LYS 51 HA LYS 51 9.962 -14.466 3.537 237 HB2 LYS 51 2HB LYS 51 9.172 -12.832 5.867 238 HB3 LYS 51 1HB LYS 51 10.440 -14.005 6.162 239 HG2 LYS 51 2HG LYS 51 10.902 -12.641 3.655 240 HG3 LYS 51 1HG LYS 51 10.745 -11.482 4.975 241 HD2 LYS 51 2HD LYS 51 12.311 -13.617 5.973 242 HD3 LYS 51 1HD LYS 51 12.952 -13.233 4.376 243 HE2 LYS 51 2HE LYS 51 12.328 -11.010 6.318 244 HE3 LYS 51 1HE LYS 51 13.869 -11.884 6.416 245 HZ1 LYS 51 3HZ LYS 51 13.439 -11.435 3.731 246 HZ2 LYS 51 1HZ LYS 51 14.566 -10.644 4.722 247 HZ3 LYS 51 2HZ LYS 51 13.024 -9.971 4.485 248 H ALA 52 H ALA 52 7.880 -14.879 6.300 249 HA ALA 52 HA ALA 52 8.696 -17.449 7.084 250 HB1 ALA 52 1HB ALA 52 5.886 -16.849 7.518 251 HB2 ALA 52 2HB ALA 52 6.926 -15.468 7.869 252 HB3 ALA 52 3HB ALA 52 7.181 -17.001 8.705 253 H LYS 53 H LYS 53 5.886 -16.482 5.290 254 HA LYS 53 HA LYS 53 4.797 -18.985 4.678 255 HB2 LYS 53 2HB LYS 53 4.777 -16.253 3.419 256 HB3 LYS 53 1HB LYS 53 3.809 -17.566 2.761 257 HG2 LYS 53 2HG LYS 53 2.933 -17.890 5.161 258 HG3 LYS 53 1HG LYS 53 3.625 -16.301 5.489 259 HD2 LYS 53 2HD LYS 53 1.933 -15.253 4.428 260 HD3 LYS 53 1HD LYS 53 2.080 -16.305 3.021 261 HE2 LYS 53 2HE LYS 53 0.954 -18.079 4.672 262 HE3 LYS 53 1HE LYS 53 0.324 -16.600 5.423 263 HZ1 LYS 53 3HZ LYS 53 -0.161 -17.673 2.757 264 HZ2 LYS 53 1HZ LYS 53 0.026 -15.990 2.866 265 HZ3 LYS 53 2HZ LYS 53 -1.187 -16.769 3.765 266 H LEU 54 H LEU 54 6.946 -16.991 2.544 267 HA LEU 54 HA LEU 54 7.083 -18.648 0.365 268 HB2 LEU 54 2HB LEU 54 9.061 -16.916 1.774 269 HB3 LEU 54 1HB LEU 54 9.319 -17.559 0.143 270 HG LEU 54 HG LEU 54 7.003 -15.876 1.078 271 HD11 LEU 54 1HD1 LEU 54 8.514 -15.070 -1.265 272 HD12 LEU 54 2HD1 LEU 54 9.509 -15.178 0.188 273 HD13 LEU 54 3HD1 LEU 54 8.081 -14.143 0.172 274 HD21 LEU 54 3HD2 LEU 54 7.405 -17.608 -1.314 275 HD22 LEU 54 1HD2 LEU 54 6.576 -16.067 -1.546 276 HD23 LEU 54 2HD2 LEU 54 5.929 -17.259 -0.416 277 H ILE 55 H ILE 55 8.573 -19.036 3.481 278 HA ILE 55 HA ILE 55 10.444 -21.040 2.810 279 HB ILE 55 HB ILE 55 9.388 -19.403 4.945 280 HG12 ILE 55 2HG1 ILE 55 11.545 -18.979 5.387 281 HG13 ILE 55 1HG1 ILE 55 12.105 -20.596 4.959 282 HG21 ILE 55 1HG2 ILE 55 8.729 -21.236 6.081 283 HG22 ILE 55 2HG2 ILE 55 10.366 -20.956 6.681 284 HG23 ILE 55 3HG2 ILE 55 10.065 -22.215 5.480 285 HD11 ILE 55 3HD1 ILE 55 12.500 -18.461 3.373 286 HD12 ILE 55 1HD1 ILE 55 10.894 -18.921 2.809 287 HD13 ILE 55 2HD1 ILE 55 12.225 -20.074 2.713 288 H GLY 56 H GLY 56 7.418 -21.088 4.666 289 HA2 GLY 56 2HA GLY 56 5.722 -22.823 4.006 290 HA3 GLY 56 1HA GLY 56 7.087 -23.898 3.948 291 H ILE 57 H ILE 57 6.221 -21.495 6.314 292 HA ILE 57 HA ILE 57 6.872 -23.102 8.527 293 HB ILE 57 HB ILE 57 6.119 -21.053 9.664 294 HG12 ILE 57 2HG1 ILE 57 5.793 -19.596 7.129 295 HG13 ILE 57 1HG1 ILE 57 4.494 -20.750 7.437 296 HG21 ILE 57 1HG2 ILE 57 8.176 -20.310 9.173 297 HG22 ILE 57 2HG2 ILE 57 7.657 -19.856 7.549 298 HG23 ILE 57 3HG2 ILE 57 8.233 -21.493 7.867 299 HD11 ILE 57 3HD1 ILE 57 4.764 -18.185 8.555 300 HD12 ILE 57 1HD1 ILE 57 5.170 -19.303 9.856 301 HD13 ILE 57 2HD1 ILE 57 3.613 -19.432 9.038 302 H ASP 58 H ASP 58 4.366 -21.561 9.409 303 HA ASP 58 HA ASP 58 2.282 -22.269 10.346 304 HB2 ASP 58 2HB ASP 58 1.742 -21.537 8.080 305 HB3 ASP 58 1HB ASP 58 2.208 -23.117 7.432 Start of MODEL 3 1 H SER 24 H SER 24 -8.497 9.710 13.505 2 HA SER 24 HA SER 24 -5.803 9.196 12.680 3 HB2 SER 24 2HB SER 24 -7.236 10.392 10.373 4 HB3 SER 24 1HB SER 24 -5.887 9.260 10.390 5 HG SER 24 HG SER 24 -7.433 7.912 9.856 6 H LYS 25 H LYS 25 -6.813 10.864 14.598 7 HA LYS 25 HA LYS 25 -7.545 13.481 14.015 8 HB2 LYS 25 2HB LYS 25 -5.776 12.223 16.108 9 HB3 LYS 25 1HB LYS 25 -6.147 13.947 16.147 10 HG2 LYS 25 2HG LYS 25 -8.566 12.457 15.674 11 HG3 LYS 25 1HG LYS 25 -7.755 11.823 17.107 12 HD2 LYS 25 2HD LYS 25 -7.464 14.490 17.531 13 HD3 LYS 25 1HD LYS 25 -8.996 14.476 16.657 14 HE2 LYS 25 2HE LYS 25 -9.910 12.830 18.254 15 HE3 LYS 25 1HE LYS 25 -8.370 12.833 19.137 16 HZ1 LYS 25 3HZ LYS 25 -9.657 15.399 18.527 17 HZ2 LYS 25 1HZ LYS 25 -8.656 14.980 19.831 18 HZ3 LYS 25 2HZ LYS 25 -10.277 14.472 19.810 19 H LYS 26 H LYS 26 -6.424 15.367 13.427 20 HA LYS 26 HA LYS 26 -4.372 15.390 11.600 21 HB2 LYS 26 2HB LYS 26 -5.685 17.343 12.224 22 HB3 LYS 26 1HB LYS 26 -4.980 17.344 13.840 23 HG2 LYS 26 2HG LYS 26 -3.338 18.673 13.075 24 HG3 LYS 26 1HG LYS 26 -2.806 17.353 12.032 25 HD2 LYS 26 2HD LYS 26 -4.839 18.213 10.532 26 HD3 LYS 26 1HD LYS 26 -4.498 19.724 11.374 27 HE2 LYS 26 2HE LYS 26 -2.148 19.630 10.652 28 HE3 LYS 26 1HE LYS 26 -2.449 18.079 9.844 29 HZ1 LYS 26 3HZ LYS 26 -4.406 20.047 9.159 30 HZ2 LYS 26 1HZ LYS 26 -3.436 19.098 8.142 31 HZ3 LYS 26 2HZ LYS 26 -2.839 20.564 8.755 32 H GLU 27 H GLU 27 -3.750 16.199 15.033 33 HA GLU 27 HA GLU 27 -1.817 15.895 16.346 34 HB2 GLU 27 2HB GLU 27 -2.525 13.590 16.121 35 HB3 GLU 27 1HB GLU 27 -1.804 13.484 14.516 36 HG2 GLU 27 2HG GLU 27 -0.334 12.432 16.187 37 HG3 GLU 27 1HG GLU 27 0.437 13.867 15.508 38 H LYS 28 H LYS 28 0.612 15.837 16.203 39 HA LYS 28 HA LYS 28 1.702 17.665 14.415 40 HB2 LYS 28 2HB LYS 28 2.539 15.893 16.467 41 HB3 LYS 28 1HB LYS 28 3.652 15.673 15.116 42 HG2 LYS 28 2HG LYS 28 4.289 17.946 15.112 43 HG3 LYS 28 1HG LYS 28 2.884 18.431 16.062 44 HD2 LYS 28 2HD LYS 28 3.935 18.004 18.014 45 HD3 LYS 28 1HD LYS 28 4.512 16.438 17.443 46 HE2 LYS 28 2HE LYS 28 6.275 17.697 16.102 47 HE3 LYS 28 1HE LYS 28 5.793 19.150 17.000 48 HZ1 LYS 28 3HZ LYS 28 6.439 16.593 18.350 49 HZ2 LYS 28 1HZ LYS 28 6.303 18.135 19.043 50 HZ3 LYS 28 2HZ LYS 28 7.623 17.771 18.036 51 H LYS 29 H LYS 29 3.702 16.916 12.937 52 HA LYS 29 HA LYS 29 2.739 15.846 10.551 53 HB2 LYS 29 2HB LYS 29 5.286 16.547 11.810 54 HB3 LYS 29 1HB LYS 29 5.448 15.307 10.565 55 HG2 LYS 29 2HG LYS 29 3.655 17.223 9.522 56 HG3 LYS 29 1HG LYS 29 4.978 18.138 10.245 57 HD2 LYS 29 2HD LYS 29 5.205 15.935 8.175 58 HD3 LYS 29 1HD LYS 29 5.582 17.644 7.952 59 HE2 LYS 29 2HE LYS 29 7.232 17.212 9.993 60 HE3 LYS 29 1HE LYS 29 7.142 15.540 9.407 61 HZ1 LYS 29 3HZ LYS 29 7.846 17.954 7.828 62 HZ2 LYS 29 1HZ LYS 29 7.543 16.433 7.139 63 HZ3 LYS 29 2HZ LYS 29 8.859 16.641 8.194 64 H LYS 30 H LYS 30 4.547 13.876 9.774 65 HA LYS 30 HA LYS 30 3.306 11.451 10.340 66 HB2 LYS 30 2HB LYS 30 6.013 12.345 9.416 67 HB3 LYS 30 1HB LYS 30 5.706 10.623 9.643 68 HG2 LYS 30 2HG LYS 30 4.681 10.569 7.643 69 HG3 LYS 30 1HG LYS 30 3.467 11.690 8.260 70 HD2 LYS 30 2HD LYS 30 5.719 13.282 7.757 71 HD3 LYS 30 1HD LYS 30 5.627 12.184 6.380 72 HE2 LYS 30 2HE LYS 30 3.207 13.701 7.398 73 HE3 LYS 30 1HE LYS 30 4.273 14.337 6.132 74 HZ1 LYS 30 3HZ LYS 30 2.246 12.459 5.831 75 HZ2 LYS 30 1HZ LYS 30 3.702 11.611 5.636 76 HZ3 LYS 30 2HZ LYS 30 3.369 12.962 4.661 77 H GLY 31 H GLY 31 5.117 9.614 11.203 78 HA2 GLY 31 2HA GLY 31 4.901 9.587 13.978 79 HA3 GLY 31 1HA GLY 31 6.071 8.629 13.085 80 HA PRO 32 HA PRO 32 8.389 11.516 15.801 81 HB2 PRO 32 2HB PRO 32 10.259 9.681 16.506 82 HB3 PRO 32 1HB PRO 32 8.719 9.902 17.369 83 HG2 PRO 32 2HG PRO 32 9.448 7.916 15.290 84 HG3 PRO 32 1HG PRO 32 8.550 7.695 16.799 85 HD2 PRO 32 2HD PRO 32 7.309 7.853 14.419 86 HD3 PRO 32 1HD PRO 32 6.585 8.514 15.904 87 H GLU 33 H GLU 33 11.110 11.372 15.769 88 HA GLU 33 HA GLU 33 11.730 11.959 13.000 89 HB2 GLU 33 2HB GLU 33 12.864 13.589 14.107 90 HB3 GLU 33 1HB GLU 33 12.340 12.804 15.603 91 HG2 GLU 33 2HG GLU 33 14.661 12.823 15.828 92 HG3 GLU 33 1HG GLU 33 14.341 11.203 15.221 93 H LYS 34 H LYS 34 11.548 9.325 14.476 94 HA LYS 34 HA LYS 34 14.005 7.932 14.372 95 HB2 LYS 34 2HB LYS 34 11.207 7.582 14.798 96 HB3 LYS 34 1HB LYS 34 11.808 6.271 13.818 97 HG2 LYS 34 2HG LYS 34 13.091 7.206 16.383 98 HG3 LYS 34 1HG LYS 34 11.953 5.864 16.298 99 HD2 LYS 34 2HD LYS 34 13.442 4.516 15.071 100 HD3 LYS 34 1HD LYS 34 14.399 5.901 14.541 101 HE2 LYS 34 2HE LYS 34 15.796 5.571 16.289 102 HE3 LYS 34 1HE LYS 34 14.445 5.872 17.400 103 HZ1 LYS 34 3HZ LYS 34 13.833 3.631 17.380 104 HZ2 LYS 34 1HZ LYS 34 15.524 3.584 17.498 105 HZ3 LYS 34 2HZ LYS 34 14.769 3.281 16.006 106 H THR 35 H THR 35 15.174 7.722 12.439 107 HA THR 35 HA THR 35 13.648 6.880 10.064 108 HB THR 35 HB THR 35 15.831 8.634 9.440 109 HG1 THR 35 1HG THR 35 15.342 10.294 10.631 110 HG21 THR 35 3HG2 THR 35 12.870 8.910 8.949 111 HG22 THR 35 1HG2 THR 35 13.946 7.924 7.961 112 HG23 THR 35 2HG2 THR 35 14.171 9.672 8.034 113 H ASP 36 H ASP 36 16.457 6.561 11.966 114 HA ASP 36 HA ASP 36 17.835 4.985 9.840 115 HB2 ASP 36 2HB ASP 36 19.044 6.878 10.907 116 HB3 ASP 36 1HB ASP 36 18.836 6.092 12.471 117 H GLU 37 H GLU 37 17.786 4.808 13.324 118 HA GLU 37 HA GLU 37 18.016 1.979 13.456 119 HB2 GLU 37 2HB GLU 37 17.247 4.230 15.281 120 HB3 GLU 37 1HB GLU 37 17.028 2.572 15.840 121 HG2 GLU 37 2HG GLU 37 19.514 2.301 14.943 122 HG3 GLU 37 1HG GLU 37 19.559 4.044 15.214 123 H TYR 38 H TYR 38 15.462 4.073 12.743 124 HA TYR 38 HA TYR 38 13.253 2.389 13.562 125 HB2 TYR 38 2HB TYR 38 12.163 4.344 13.267 126 HB3 TYR 38 1HB TYR 38 13.756 5.041 13.027 127 HD1 TYR 38 2HD TYR 38 14.601 4.222 10.403 128 HD2 TYR 38 1HD TYR 38 10.679 5.255 11.792 129 HE1 TYR 38 2HE TYR 38 13.941 4.831 8.094 130 HE2 TYR 38 1HE TYR 38 10.013 5.877 9.489 131 HH TYR 38 HH TYR 38 11.516 6.697 7.307 132 H LEU 39 H LEU 39 15.306 2.570 10.799 133 HA LEU 39 HA LEU 39 13.771 1.778 8.646 134 HB2 LEU 39 2HB LEU 39 16.503 1.400 9.649 135 HB3 LEU 39 1HB LEU 39 15.998 0.149 8.525 136 HG LEU 39 HG LEU 39 16.889 1.749 7.097 137 HD11 LEU 39 1HD1 LEU 39 14.135 2.922 7.198 138 HD12 LEU 39 2HD1 LEU 39 14.363 1.246 6.699 139 HD13 LEU 39 3HD1 LEU 39 15.131 2.549 5.791 140 HD21 LEU 39 3HD2 LEU 39 15.848 3.677 9.127 141 HD22 LEU 39 1HD2 LEU 39 16.167 4.249 7.490 142 HD23 LEU 39 2HD2 LEU 39 17.469 3.541 8.446 143 H LEU 40 H LEU 40 15.319 -0.463 10.960 144 HA LEU 40 HA LEU 40 14.031 -2.811 10.052 145 HB2 LEU 40 2HB LEU 40 15.367 -1.846 12.561 146 HB3 LEU 40 1HB LEU 40 14.644 -3.453 12.521 147 HG LEU 40 HG LEU 40 17.132 -3.236 11.853 148 HD11 LEU 40 1HD1 LEU 40 16.560 -4.778 9.746 149 HD12 LEU 40 2HD1 LEU 40 14.939 -4.687 10.435 150 HD13 LEU 40 3HD1 LEU 40 16.270 -5.333 11.394 151 HD21 LEU 40 3HD2 LEU 40 17.476 -2.689 9.452 152 HD22 LEU 40 1HD2 LEU 40 16.886 -1.298 10.363 153 HD23 LEU 40 2HD2 LEU 40 15.782 -2.211 9.336 154 H ALA 41 H ALA 41 13.076 -0.373 12.434 155 HA ALA 41 HA ALA 41 10.942 -1.582 13.718 156 HB1 ALA 41 1HB ALA 41 10.266 0.628 14.155 157 HB2 ALA 41 2HB ALA 41 10.679 1.169 12.529 158 HB3 ALA 41 3HB ALA 41 11.955 0.853 13.703 159 H ARG 42 H ARG 42 11.131 -0.355 10.419 160 HA ARG 42 HA ARG 42 8.369 -0.991 9.824 161 HB2 ARG 42 2HB ARG 42 10.671 0.380 8.521 162 HB3 ARG 42 1HB ARG 42 9.332 -0.160 7.508 163 HG2 ARG 42 2HG ARG 42 7.846 1.021 9.327 164 HG3 ARG 42 1HG ARG 42 9.335 1.891 9.702 165 HD2 ARG 42 2HD ARG 42 9.320 3.045 7.709 166 HD3 ARG 42 1HD ARG 42 8.600 1.690 6.816 167 HE ARG 42 HE ARG 42 7.101 3.629 8.500 168 HH11 ARG 42 1HH2 ARG 42 6.184 0.677 8.530 169 HH12 ARG 42 2HH2 ARG 42 4.944 0.723 7.321 170 HH21 ARG 42 1HH1 ARG 42 5.946 3.784 6.035 171 HH22 ARG 42 2HH1 ARG 42 4.810 2.483 5.908 172 H PHE 43 H PHE 43 11.457 -2.485 9.541 173 HA PHE 43 HA PHE 43 11.389 -4.042 7.261 174 HB2 PHE 43 2HB PHE 43 12.439 -4.226 10.002 175 HB3 PHE 43 1HB PHE 43 12.259 -5.779 9.209 176 HD1 PHE 43 1HD PHE 43 12.967 -2.515 7.587 177 HD2 PHE 43 2HD PHE 43 14.527 -6.341 8.761 178 HE1 PHE 43 1HE PHE 43 15.032 -2.071 6.286 179 HE2 PHE 43 2HE PHE 43 16.591 -5.901 7.458 180 HZ PHE 43 HZ PHE 43 16.843 -3.764 6.220 181 H LYS 44 H LYS 44 9.344 -4.346 10.101 182 HA LYS 44 HA LYS 44 8.403 -6.948 9.543 183 HB2 LYS 44 2HB LYS 44 7.694 -4.683 11.336 184 HB3 LYS 44 1HB LYS 44 6.655 -6.111 11.274 185 HG2 LYS 44 2HG LYS 44 8.403 -6.294 13.026 186 HG3 LYS 44 1HG LYS 44 8.540 -7.549 11.796 187 HD2 LYS 44 2HD LYS 44 10.365 -6.447 10.739 188 HD3 LYS 44 1HD LYS 44 10.109 -4.975 11.676 189 HE2 LYS 44 2HE LYS 44 11.987 -6.156 12.669 190 HE3 LYS 44 1HE LYS 44 10.605 -6.352 13.766 191 HZ1 LYS 44 3HZ LYS 44 10.063 -8.423 12.556 192 HZ2 LYS 44 1HZ LYS 44 11.553 -8.502 13.360 193 HZ3 LYS 44 2HZ LYS 44 11.508 -8.264 11.679 194 H GLY 45 H GLY 45 8.009 -4.552 7.600 195 HA2 GLY 45 2HA GLY 45 5.098 -4.534 7.250 196 HA3 GLY 45 1HA GLY 45 6.255 -3.638 6.282 197 H ASP 46 H ASP 46 7.118 -4.596 4.472 198 HA ASP 46 HA ASP 46 5.706 -6.997 3.479 199 HB2 ASP 46 2HB ASP 46 7.564 -5.826 1.598 200 HB3 ASP 46 1HB ASP 46 5.809 -5.916 1.512 201 H GLY 47 H GLY 47 7.286 -7.919 5.323 202 HA2 GLY 47 2HA GLY 47 9.568 -9.105 3.824 203 HA3 GLY 47 1HA GLY 47 9.858 -8.423 5.426 204 H VAL 48 H VAL 48 8.629 -9.330 7.185 205 HA VAL 48 HA VAL 48 8.824 -12.084 7.504 206 HB VAL 48 HB VAL 48 8.673 -10.860 9.476 207 HG11 VAL 48 1HG1 VAL 48 8.040 -8.717 9.146 208 HG12 VAL 48 2HG1 VAL 48 6.425 -9.296 9.555 209 HG13 VAL 48 3HG1 VAL 48 6.909 -9.153 7.866 210 HG21 VAL 48 3HG2 VAL 48 6.895 -12.670 9.412 211 HG22 VAL 48 1HG2 VAL 48 5.743 -11.369 9.116 212 HG23 VAL 48 2HG2 VAL 48 6.680 -11.391 10.610 213 H LYS 49 H LYS 49 5.930 -10.182 6.701 214 HA LYS 49 HA LYS 49 3.912 -11.997 6.808 215 HB2 LYS 49 2HB LYS 49 3.187 -10.767 4.609 216 HB3 LYS 49 1HB LYS 49 3.391 -9.855 6.101 217 HG2 LYS 49 2HG LYS 49 5.092 -8.659 5.247 218 HG3 LYS 49 1HG LYS 49 5.887 -10.094 4.609 219 HD2 LYS 49 2HD LYS 49 5.296 -8.740 2.715 220 HD3 LYS 49 1HD LYS 49 4.153 -10.083 2.749 221 HE2 LYS 49 2HE LYS 49 3.201 -7.853 4.372 222 HE3 LYS 49 1HE LYS 49 3.475 -7.371 2.685 223 HZ1 LYS 49 3HZ LYS 49 2.269 -9.345 1.967 224 HZ2 LYS 49 1HZ LYS 49 1.284 -8.362 2.938 225 HZ3 LYS 49 2HZ LYS 49 1.973 -9.775 3.585 226 H TYR 50 H TYR 50 5.871 -11.691 3.760 227 HA TYR 50 HA TYR 50 4.843 -14.297 2.941 228 HB2 TYR 50 2HB TYR 50 5.965 -13.639 0.857 229 HB3 TYR 50 1HB TYR 50 4.859 -12.406 1.446 230 HD1 TYR 50 1HD TYR 50 8.449 -13.429 1.782 231 HD2 TYR 50 2HD TYR 50 5.596 -10.241 1.533 232 HE1 TYR 50 1HE TYR 50 10.306 -11.777 1.792 233 HE2 TYR 50 2HE TYR 50 7.440 -8.585 1.545 234 HH TYR 50 HH TYR 50 10.797 -9.566 1.295 235 H LYS 51 H LYS 51 7.856 -12.904 4.164 236 HA LYS 51 HA LYS 51 9.688 -14.842 3.299 237 HB2 LYS 51 2HB LYS 51 9.411 -12.885 5.448 238 HB3 LYS 51 1HB LYS 51 10.447 -14.237 5.870 239 HG2 LYS 51 2HG LYS 51 10.764 -12.877 3.216 240 HG3 LYS 51 1HG LYS 51 11.512 -12.194 4.658 241 HD2 LYS 51 2HD LYS 51 12.358 -14.670 5.019 242 HD3 LYS 51 1HD LYS 51 12.080 -14.796 3.281 243 HE2 LYS 51 2HE LYS 51 13.463 -12.317 3.913 244 HE3 LYS 51 1HE LYS 51 14.363 -13.725 4.512 245 HZ1 LYS 51 3HZ LYS 51 13.152 -13.601 1.806 246 HZ2 LYS 51 1HZ LYS 51 14.239 -14.760 2.399 247 HZ3 LYS 51 2HZ LYS 51 14.765 -13.169 2.115 248 H ALA 52 H ALA 52 7.603 -14.849 6.082 249 HA ALA 52 HA ALA 52 8.338 -17.279 7.264 250 HB1 ALA 52 1HB ALA 52 5.768 -17.123 7.911 251 HB2 ALA 52 2HB ALA 52 5.932 -15.535 7.160 252 HB3 ALA 52 3HB ALA 52 6.932 -15.962 8.549 253 H LYS 53 H LYS 53 5.691 -16.626 5.108 254 HA LYS 53 HA LYS 53 4.896 -19.323 4.692 255 HB2 LYS 53 2HB LYS 53 4.498 -16.731 3.188 256 HB3 LYS 53 1HB LYS 53 3.585 -18.199 2.871 257 HG2 LYS 53 2HG LYS 53 2.943 -18.191 5.335 258 HG3 LYS 53 1HG LYS 53 3.618 -16.563 5.407 259 HD2 LYS 53 2HD LYS 53 1.447 -16.007 4.881 260 HD3 LYS 53 1HD LYS 53 2.063 -16.250 3.246 261 HE2 LYS 53 2HE LYS 53 0.295 -17.702 3.067 262 HE3 LYS 53 1HE LYS 53 1.363 -18.816 3.945 263 HZ1 LYS 53 3HZ LYS 53 -0.564 -18.704 5.248 264 HZ2 LYS 53 1HZ LYS 53 -0.723 -17.027 5.046 265 HZ3 LYS 53 2HZ LYS 53 0.522 -17.650 6.021 266 H LEU 54 H LEU 54 6.620 -17.043 2.466 267 HA LEU 54 HA LEU 54 7.095 -18.753 0.369 268 HB2 LEU 54 2HB LEU 54 8.684 -16.579 1.658 269 HB3 LEU 54 1HB LEU 54 9.038 -17.231 0.049 270 HG LEU 54 HG LEU 54 6.480 -15.956 0.985 271 HD11 LEU 54 1HD1 LEU 54 8.798 -15.188 -0.631 272 HD12 LEU 54 2HD1 LEU 54 7.649 -14.178 0.246 273 HD13 LEU 54 3HD1 LEU 54 7.239 -14.796 -1.356 274 HD21 LEU 54 3HD2 LEU 54 7.070 -17.741 -1.343 275 HD22 LEU 54 1HD2 LEU 54 5.914 -16.425 -1.554 276 HD23 LEU 54 2HD2 LEU 54 5.629 -17.662 -0.330 277 H ILE 55 H ILE 55 8.463 -18.776 3.535 278 HA ILE 55 HA ILE 55 10.814 -20.252 3.031 279 HB ILE 55 HB ILE 55 9.206 -18.972 5.073 280 HG12 ILE 55 2HG1 ILE 55 11.128 -17.953 5.638 281 HG13 ILE 55 1HG1 ILE 55 12.138 -19.355 5.285 282 HG21 ILE 55 1HG2 ILE 55 10.567 -21.503 5.628 283 HG22 ILE 55 2HG2 ILE 55 9.022 -20.881 6.212 284 HG23 ILE 55 3HG2 ILE 55 10.534 -20.227 6.845 285 HD11 ILE 55 3HD1 ILE 55 10.677 -17.954 3.065 286 HD12 ILE 55 1HD1 ILE 55 12.174 -18.884 2.995 287 HD13 ILE 55 2HD1 ILE 55 12.175 -17.260 3.685 288 H GLY 56 H GLY 56 7.793 -21.060 4.734 289 HA2 GLY 56 2HA GLY 56 6.504 -23.029 4.605 290 HA3 GLY 56 1HA GLY 56 7.697 -23.661 3.517 291 H ILE 57 H ILE 57 7.887 -22.554 6.846 292 HA ILE 57 HA ILE 57 9.703 -24.530 7.665 293 HB ILE 57 HB ILE 57 9.238 -23.425 9.826 294 HG12 ILE 57 2HG1 ILE 57 7.622 -21.318 8.591 295 HG13 ILE 57 1HG1 ILE 57 6.775 -22.864 8.648 296 HG21 ILE 57 1HG2 ILE 57 10.733 -21.940 9.096 297 HG22 ILE 57 2HG2 ILE 57 9.479 -21.090 8.191 298 HG23 ILE 57 3HG2 ILE 57 10.354 -22.429 7.445 299 HD11 ILE 57 3HD1 ILE 57 7.262 -21.024 10.795 300 HD12 ILE 57 1HD1 ILE 57 8.104 -22.534 11.145 301 HD13 ILE 57 2HD1 ILE 57 6.367 -22.543 10.835 302 H ASP 58 H ASP 58 7.685 -24.350 9.980 303 HA ASP 58 HA ASP 58 6.972 -26.953 10.440 304 HB2 ASP 58 2HB ASP 58 6.552 -25.050 11.952 305 HB3 ASP 58 1HB ASP 58 5.262 -24.484 10.881 Start of MODEL 4 1 H SER 24 H SER 24 -10.177 4.461 -16.531 2 HA SER 24 HA SER 24 -8.591 4.113 -14.172 3 HB2 SER 24 2HB SER 24 -8.741 1.495 -15.580 4 HB3 SER 24 1HB SER 24 -8.498 1.834 -13.869 5 HG SER 24 HG SER 24 -10.651 0.966 -14.794 6 H LYS 25 H LYS 25 -8.756 2.643 -17.445 7 HA LYS 25 HA LYS 25 -7.083 2.563 -19.131 8 HB2 LYS 25 2HB LYS 25 -8.033 5.095 -18.592 9 HB3 LYS 25 1HB LYS 25 -6.286 5.332 -18.515 10 HG2 LYS 25 2HG LYS 25 -6.088 5.150 -20.752 11 HG3 LYS 25 1HG LYS 25 -7.009 3.646 -20.767 12 HD2 LYS 25 2HD LYS 25 -9.027 5.364 -20.310 13 HD3 LYS 25 1HD LYS 25 -7.941 6.443 -21.189 14 HE2 LYS 25 2HE LYS 25 -8.931 5.508 -23.039 15 HE3 LYS 25 1HE LYS 25 -7.803 4.173 -22.730 16 HZ1 LYS 25 3HZ LYS 25 -10.643 4.406 -22.001 17 HZ2 LYS 25 1HZ LYS 25 -9.616 3.485 -21.016 18 HZ3 LYS 25 2HZ LYS 25 -9.807 3.079 -22.654 19 H LYS 26 H LYS 26 -4.661 4.013 -19.303 20 HA LYS 26 HA LYS 26 -2.730 2.439 -18.140 21 HB2 LYS 26 2HB LYS 26 -2.621 4.442 -19.769 22 HB3 LYS 26 1HB LYS 26 -2.467 5.443 -18.324 23 HG2 LYS 26 2HG LYS 26 -0.234 4.955 -19.037 24 HG3 LYS 26 1HG LYS 26 -0.538 3.932 -17.632 25 HD2 LYS 26 2HD LYS 26 -0.385 2.027 -18.848 26 HD3 LYS 26 1HD LYS 26 -1.352 2.691 -20.165 27 HE2 LYS 26 2HE LYS 26 0.543 3.764 -21.155 28 HE3 LYS 26 1HE LYS 26 1.534 3.502 -19.705 29 HZ1 LYS 26 3HZ LYS 26 0.272 1.208 -21.052 30 HZ2 LYS 26 1HZ LYS 26 1.666 1.247 -20.086 31 HZ3 LYS 26 2HZ LYS 26 1.717 1.846 -21.675 32 H GLU 27 H GLU 27 -3.358 1.846 -15.948 33 HA GLU 27 HA GLU 27 -3.940 3.635 -13.858 34 HB2 GLU 27 2HB GLU 27 -3.580 1.711 -12.462 35 HB3 GLU 27 1HB GLU 27 -4.216 1.115 -13.996 36 HG2 GLU 27 2HG GLU 27 -1.578 1.082 -14.571 37 HG3 GLU 27 1HG GLU 27 -1.501 0.812 -12.829 38 H LYS 28 H LYS 28 -2.531 4.288 -12.047 39 HA LYS 28 HA LYS 28 -0.175 5.615 -12.714 40 HB2 LYS 28 2HB LYS 28 -1.743 5.421 -10.556 41 HB3 LYS 28 1HB LYS 28 -0.433 4.374 -10.011 42 HG2 LYS 28 2HG LYS 28 1.167 6.105 -10.141 43 HG3 LYS 28 1HG LYS 28 0.138 7.095 -11.180 44 HD2 LYS 28 2HD LYS 28 -1.507 7.125 -9.179 45 HD3 LYS 28 1HD LYS 28 -0.131 6.577 -8.221 46 HE2 LYS 28 2HE LYS 28 -0.047 8.950 -8.051 47 HE3 LYS 28 1HE LYS 28 1.142 8.577 -9.314 48 HZ1 LYS 28 3HZ LYS 28 -0.309 9.161 -10.989 49 HZ2 LYS 28 1HZ LYS 28 -0.697 10.311 -9.803 50 HZ3 LYS 28 2HZ LYS 28 -1.691 8.952 -10.023 51 H LYS 29 H LYS 29 1.909 4.943 -13.114 52 HA LYS 29 HA LYS 29 2.743 2.375 -13.630 53 HB2 LYS 29 2HB LYS 29 3.910 4.640 -13.918 54 HB3 LYS 29 1HB LYS 29 4.478 4.436 -12.259 55 HG2 LYS 29 2HG LYS 29 5.885 2.696 -12.805 56 HG3 LYS 29 1HG LYS 29 4.861 2.145 -14.131 57 HD2 LYS 29 2HD LYS 29 6.822 3.088 -15.140 58 HD3 LYS 29 1HD LYS 29 5.528 4.264 -15.371 59 HE2 LYS 29 2HE LYS 29 7.126 5.702 -14.520 60 HE3 LYS 29 1HE LYS 29 6.489 5.107 -12.974 61 HZ1 LYS 29 3HZ LYS 29 8.741 3.904 -14.498 62 HZ2 LYS 29 1HZ LYS 29 8.115 3.313 -13.037 63 HZ3 LYS 29 2HZ LYS 29 8.892 4.824 -13.077 64 H LYS 30 H LYS 30 2.387 0.646 -12.242 65 HA LYS 30 HA LYS 30 2.307 0.764 -9.412 66 HB2 LYS 30 2HB LYS 30 2.379 -1.236 -11.576 67 HB3 LYS 30 1HB LYS 30 2.980 -1.824 -10.025 68 HG2 LYS 30 2HG LYS 30 0.360 -0.337 -10.300 69 HG3 LYS 30 1HG LYS 30 0.473 -2.094 -10.403 70 HD2 LYS 30 2HD LYS 30 1.761 -0.720 -8.076 71 HD3 LYS 30 1HD LYS 30 0.007 -0.907 -8.077 72 HE2 LYS 30 2HE LYS 30 1.134 -3.399 -8.915 73 HE3 LYS 30 1HE LYS 30 1.973 -2.886 -7.437 74 HZ1 LYS 30 3HZ LYS 30 -0.308 -4.081 -7.247 75 HZ2 LYS 30 1HZ LYS 30 -0.945 -2.561 -7.648 76 HZ3 LYS 30 2HZ LYS 30 0.018 -2.738 -6.259 77 H GLY 31 H GLY 31 4.395 2.143 -9.212 78 HA2 GLY 31 2HA GLY 31 6.698 2.333 -8.776 79 HA3 GLY 31 1HA GLY 31 6.426 0.819 -7.916 80 HA PRO 32 HA PRO 32 9.422 0.087 -11.355 81 HB2 PRO 32 2HB PRO 32 11.245 -1.242 -9.851 82 HB3 PRO 32 1HB PRO 32 11.238 0.527 -10.048 83 HG2 PRO 32 2HG PRO 32 10.168 -1.129 -7.836 84 HG3 PRO 32 1HG PRO 32 11.085 0.384 -7.776 85 HD2 PRO 32 2HD PRO 32 8.411 0.295 -7.423 86 HD3 PRO 32 1HD PRO 32 9.230 1.679 -8.184 87 H GLU 33 H GLU 33 10.193 -2.126 -12.122 88 HA GLU 33 HA GLU 33 8.185 -4.142 -11.495 89 HB2 GLU 33 2HB GLU 33 8.309 -4.247 -13.766 90 HB3 GLU 33 1HB GLU 33 9.639 -3.086 -13.671 91 HG2 GLU 33 2HG GLU 33 10.601 -4.898 -14.790 92 HG3 GLU 33 1HG GLU 33 11.127 -5.125 -13.125 93 H LYS 34 H LYS 34 10.631 -3.334 -10.029 94 HA LYS 34 HA LYS 34 12.692 -5.161 -9.908 95 HB2 LYS 34 2HB LYS 34 11.443 -3.085 -8.439 96 HB3 LYS 34 1HB LYS 34 11.848 -4.363 -7.325 97 HG2 LYS 34 2HG LYS 34 13.738 -3.119 -9.327 98 HG3 LYS 34 1HG LYS 34 13.699 -2.731 -7.608 99 HD2 LYS 34 2HD LYS 34 14.854 -4.602 -7.053 100 HD3 LYS 34 1HD LYS 34 13.884 -5.610 -8.125 101 HE2 LYS 34 2HE LYS 34 15.340 -4.095 -9.922 102 HE3 LYS 34 1HE LYS 34 16.506 -4.373 -8.613 103 HZ1 LYS 34 3HZ LYS 34 14.780 -6.528 -9.688 104 HZ2 LYS 34 1HZ LYS 34 16.154 -6.683 -8.706 105 HZ3 LYS 34 2HZ LYS 34 16.321 -6.201 -10.326 106 H THR 35 H THR 35 12.982 -7.123 -8.683 107 HA THR 35 HA THR 35 10.736 -8.263 -7.240 108 HB THR 35 HB THR 35 11.580 -10.193 -9.133 109 HG1 THR 35 1HG THR 35 11.992 -8.853 -10.710 110 HG21 THR 35 3HG2 THR 35 9.080 -8.848 -8.275 111 HG22 THR 35 1HG2 THR 35 9.455 -10.569 -8.366 112 HG23 THR 35 2HG2 THR 35 9.045 -9.677 -9.832 113 H ASP 36 H ASP 36 14.059 -8.496 -8.298 114 HA ASP 36 HA ASP 36 14.577 -10.698 -6.373 115 HB2 ASP 36 2HB ASP 36 15.426 -10.255 -8.916 116 HB3 ASP 36 1HB ASP 36 16.748 -9.527 -8.004 117 H GLU 37 H GLU 37 16.393 -7.857 -7.282 118 HA GLU 37 HA GLU 37 17.656 -7.494 -4.766 119 HB2 GLU 37 2HB GLU 37 17.242 -6.001 -7.293 120 HB3 GLU 37 1HB GLU 37 17.665 -5.019 -5.890 121 HG2 GLU 37 2HG GLU 37 19.220 -7.496 -6.660 122 HG3 GLU 37 1HG GLU 37 19.629 -5.894 -7.272 123 H TYR 38 H TYR 38 14.507 -6.889 -5.846 124 HA TYR 38 HA TYR 38 13.860 -4.732 -4.023 125 HB2 TYR 38 2HB TYR 38 12.115 -4.549 -5.434 126 HB3 TYR 38 1HB TYR 38 12.961 -5.736 -6.410 127 HD1 TYR 38 1HD TYR 38 12.601 -8.251 -5.037 128 HD2 TYR 38 2HD TYR 38 9.874 -4.982 -5.496 129 HE1 TYR 38 1HE TYR 38 10.692 -9.803 -4.747 130 HE2 TYR 38 2HE TYR 38 7.957 -6.522 -5.215 131 HH TYR 38 HH TYR 38 7.660 -8.877 -4.006 132 H LEU 39 H LEU 39 13.952 -8.183 -3.800 133 HA LEU 39 HA LEU 39 11.995 -8.865 -1.977 134 HB2 LEU 39 2HB LEU 39 14.708 -9.671 -2.692 135 HB3 LEU 39 1HB LEU 39 14.321 -10.042 -1.015 136 HG LEU 39 HG LEU 39 13.623 -11.933 -2.270 137 HD11 LEU 39 1HD1 LEU 39 11.514 -12.107 -1.435 138 HD12 LEU 39 2HD1 LEU 39 10.973 -10.639 -2.248 139 HD13 LEU 39 3HD1 LEU 39 11.875 -10.530 -0.736 140 HD21 LEU 39 3HD2 LEU 39 13.666 -11.112 -4.500 141 HD22 LEU 39 1HD2 LEU 39 12.461 -9.876 -4.140 142 HD23 LEU 39 2HD2 LEU 39 11.988 -11.573 -4.210 143 H LEU 40 H LEU 40 15.244 -7.634 -1.131 144 HA LEU 40 HA LEU 40 14.767 -7.257 1.630 145 HB2 LEU 40 2HB LEU 40 16.622 -6.166 -0.463 146 HB3 LEU 40 1HB LEU 40 16.705 -5.544 1.186 147 HG LEU 40 HG LEU 40 18.214 -7.555 0.577 148 HD11 LEU 40 1HD1 LEU 40 17.023 -8.633 2.881 149 HD12 LEU 40 2HD1 LEU 40 16.659 -6.909 2.945 150 HD13 LEU 40 3HD1 LEU 40 18.333 -7.454 2.832 151 HD21 LEU 40 3HD2 LEU 40 17.084 -9.759 0.854 152 HD22 LEU 40 1HD2 LEU 40 16.517 -8.896 -0.576 153 HD23 LEU 40 2HD2 LEU 40 15.526 -8.931 0.882 154 H ALA 41 H ALA 41 14.165 -5.168 -1.159 155 HA ALA 41 HA ALA 41 13.676 -2.692 -0.048 156 HB1 ALA 41 1HB ALA 41 12.252 -2.365 -1.931 157 HB2 ALA 41 2HB ALA 41 11.726 -4.049 -1.917 158 HB3 ALA 41 3HB ALA 41 13.360 -3.640 -2.441 159 H ARG 42 H ARG 42 11.687 -5.595 0.177 160 HA ARG 42 HA ARG 42 9.628 -4.284 1.729 161 HB2 ARG 42 2HB ARG 42 10.108 -6.960 0.491 162 HB3 ARG 42 1HB ARG 42 8.806 -6.764 1.665 163 HG2 ARG 42 2HG ARG 42 9.159 -5.170 -0.892 164 HG3 ARG 42 1HG ARG 42 7.941 -6.414 -0.605 165 HD2 ARG 42 2HD ARG 42 6.612 -4.688 0.082 166 HD3 ARG 42 1HD ARG 42 7.599 -4.699 1.557 167 HE ARG 42 HE ARG 42 9.177 -3.188 0.021 168 HH11 ARG 42 1HH2 ARG 42 6.705 -2.220 1.758 169 HH12 ARG 42 2HH2 ARG 42 6.085 -1.004 0.691 170 HH21 ARG 42 1HH1 ARG 42 7.972 -2.050 -2.025 171 HH22 ARG 42 2HH1 ARG 42 6.808 -0.904 -1.449 172 H PHE 43 H PHE 43 12.486 -6.123 2.296 173 HA PHE 43 HA PHE 43 12.053 -7.560 4.623 174 HB2 PHE 43 2HB PHE 43 14.251 -6.075 3.343 175 HB3 PHE 43 1HB PHE 43 14.461 -6.312 5.067 176 HD1 PHE 43 2HD PHE 43 12.892 -8.431 2.410 177 HD2 PHE 43 1HD PHE 43 15.951 -8.078 5.404 178 HE1 PHE 43 2HE PHE 43 13.583 -10.774 1.981 179 HE2 PHE 43 1HE PHE 43 16.645 -10.418 4.974 180 HZ PHE 43 HZ PHE 43 15.459 -11.769 3.263 181 H LYS 44 H LYS 44 12.484 -4.038 4.334 182 HA LYS 44 HA LYS 44 12.483 -3.545 7.114 183 HB2 LYS 44 2HB LYS 44 12.299 -1.976 4.592 184 HB3 LYS 44 1HB LYS 44 12.116 -1.162 6.151 185 HG2 LYS 44 2HG LYS 44 14.471 -1.179 5.384 186 HG3 LYS 44 1HG LYS 44 14.254 -2.052 6.901 187 HD2 LYS 44 2HD LYS 44 14.361 -4.165 5.809 188 HD3 LYS 44 1HD LYS 44 14.230 -3.424 4.215 189 HE2 LYS 44 2HE LYS 44 16.539 -3.797 4.337 190 HE3 LYS 44 1HE LYS 44 16.439 -2.152 4.997 191 HZ1 LYS 44 3HZ LYS 44 17.677 -3.697 6.456 192 HZ2 LYS 44 1HZ LYS 44 16.272 -4.631 6.627 193 HZ3 LYS 44 2HZ LYS 44 16.305 -3.034 7.208 194 H GLY 45 H GLY 45 10.038 -4.789 5.617 195 HA2 GLY 45 2HA GLY 45 8.038 -3.761 7.417 196 HA3 GLY 45 1HA GLY 45 7.795 -3.135 5.797 197 H ASP 46 H ASP 46 7.072 -4.502 4.199 198 HA ASP 46 HA ASP 46 5.589 -6.831 5.057 199 HB2 ASP 46 2HB ASP 46 6.196 -6.068 2.208 200 HB3 ASP 46 1HB ASP 46 4.714 -6.733 2.886 201 H GLY 47 H GLY 47 8.492 -7.213 5.444 202 HA2 GLY 47 2HA GLY 47 9.281 -9.041 3.272 203 HA3 GLY 47 1HA GLY 47 10.265 -8.614 4.676 204 H VAL 48 H VAL 48 8.719 -9.113 6.697 205 HA VAL 48 HA VAL 48 8.901 -11.843 7.253 206 HB VAL 48 HB VAL 48 8.787 -10.481 9.131 207 HG11 VAL 48 1HG1 VAL 48 8.298 -8.338 8.537 208 HG12 VAL 48 2HG1 VAL 48 6.697 -8.767 9.143 209 HG13 VAL 48 3HG1 VAL 48 7.032 -8.835 7.413 210 HG21 VAL 48 3HG2 VAL 48 6.827 -12.181 9.087 211 HG22 VAL 48 1HG2 VAL 48 5.828 -10.741 8.890 212 HG23 VAL 48 2HG2 VAL 48 6.849 -10.915 10.319 213 H LYS 49 H LYS 49 6.031 -9.946 6.303 214 HA LYS 49 HA LYS 49 3.995 -11.735 6.571 215 HB2 LYS 49 2HB LYS 49 3.182 -10.637 4.381 216 HB3 LYS 49 1HB LYS 49 3.564 -9.597 5.741 217 HG2 LYS 49 2HG LYS 49 5.232 -8.584 4.641 218 HG3 LYS 49 1HG LYS 49 5.917 -10.105 4.107 219 HD2 LYS 49 2HD LYS 49 3.776 -8.442 2.789 220 HD3 LYS 49 1HD LYS 49 5.295 -8.996 2.104 221 HE2 LYS 49 2HE LYS 49 4.132 -10.727 1.199 222 HE3 LYS 49 1HE LYS 49 3.909 -11.346 2.844 223 HZ1 LYS 49 3HZ LYS 49 1.812 -10.819 1.554 224 HZ2 LYS 49 1HZ LYS 49 2.227 -9.184 1.726 225 HZ3 LYS 49 2HZ LYS 49 1.932 -10.133 3.103 226 H TYR 50 H TYR 50 5.892 -11.649 3.471 227 HA TYR 50 HA TYR 50 4.860 -14.288 2.822 228 HB2 TYR 50 2HB TYR 50 6.068 -13.826 0.740 229 HB3 TYR 50 1HB TYR 50 5.023 -12.489 1.202 230 HD1 TYR 50 1HD TYR 50 8.526 -13.692 1.758 231 HD2 TYR 50 2HD TYR 50 5.904 -10.367 1.131 232 HE1 TYR 50 1HE TYR 50 10.480 -12.169 1.720 233 HE2 TYR 50 2HE TYR 50 7.851 -8.831 1.095 234 HH TYR 50 HH TYR 50 10.340 -9.040 0.567 235 H LYS 51 H LYS 51 7.836 -12.872 4.065 236 HA LYS 51 HA LYS 51 9.749 -14.790 3.483 237 HB2 LYS 51 2HB LYS 51 9.148 -12.865 5.607 238 HB3 LYS 51 1HB LYS 51 10.193 -14.178 6.121 239 HG2 LYS 51 2HG LYS 51 10.857 -13.003 3.492 240 HG3 LYS 51 1HG LYS 51 11.114 -11.945 4.881 241 HD2 LYS 51 2HD LYS 51 12.431 -13.755 5.975 242 HD3 LYS 51 1HD LYS 51 12.240 -14.737 4.522 243 HE2 LYS 51 2HE LYS 51 13.378 -12.971 3.191 244 HE3 LYS 51 1HE LYS 51 13.617 -12.030 4.677 245 HZ1 LYS 51 3HZ LYS 51 14.582 -14.796 4.170 246 HZ2 LYS 51 1HZ LYS 51 14.721 -13.979 5.650 247 HZ3 LYS 51 2HZ LYS 51 15.546 -13.401 4.282 248 H ALA 52 H ALA 52 7.656 -14.808 6.270 249 HA ALA 52 HA ALA 52 8.202 -17.288 7.372 250 HB1 ALA 52 1HB ALA 52 5.539 -15.914 7.038 251 HB2 ALA 52 2HB ALA 52 6.720 -15.549 8.297 252 HB3 ALA 52 3HB ALA 52 5.914 -17.119 8.271 253 H LYS 53 H LYS 53 5.694 -16.575 5.069 254 HA LYS 53 HA LYS 53 4.852 -19.243 4.596 255 HB2 LYS 53 2HB LYS 53 4.584 -16.575 3.237 256 HB3 LYS 53 1HB LYS 53 3.841 -18.014 2.551 257 HG2 LYS 53 2HG LYS 53 3.024 -18.291 5.100 258 HG3 LYS 53 1HG LYS 53 3.154 -16.533 5.030 259 HD2 LYS 53 2HD LYS 53 1.844 -16.765 2.785 260 HD3 LYS 53 1HD LYS 53 1.399 -18.358 3.402 261 HE2 LYS 53 2HE LYS 53 1.098 -16.155 5.359 262 HE3 LYS 53 1HE LYS 53 -0.008 -16.088 3.973 263 HZ1 LYS 53 3HZ LYS 53 -0.345 -17.691 6.122 264 HZ2 LYS 53 1HZ LYS 53 0.409 -18.741 5.025 265 HZ3 LYS 53 2HZ LYS 53 -1.037 -17.959 4.595 266 H LEU 54 H LEU 54 6.847 -17.087 2.460 267 HA LEU 54 HA LEU 54 7.304 -18.825 0.392 268 HB2 LEU 54 2HB LEU 54 8.994 -16.793 1.776 269 HB3 LEU 54 1HB LEU 54 9.384 -17.473 0.187 270 HG LEU 54 HG LEU 54 6.898 -15.981 0.981 271 HD11 LEU 54 1HD1 LEU 54 8.232 -15.210 -1.452 272 HD12 LEU 54 2HD1 LEU 54 9.352 -15.207 -0.088 273 HD13 LEU 54 3HD1 LEU 54 7.875 -14.243 -0.021 274 HD21 LEU 54 3HD2 LEU 54 5.900 -17.520 -0.395 275 HD22 LEU 54 1HD2 LEU 54 7.406 -17.904 -1.227 276 HD23 LEU 54 2HD2 LEU 54 6.519 -16.437 -1.643 277 H ILE 55 H ILE 55 8.486 -19.005 3.621 278 HA ILE 55 HA ILE 55 10.743 -20.648 3.213 279 HB ILE 55 HB ILE 55 9.126 -19.293 5.186 280 HG12 ILE 55 2HG1 ILE 55 11.087 -18.508 5.937 281 HG13 ILE 55 1HG1 ILE 55 11.976 -19.997 5.602 282 HG21 ILE 55 1HG2 ILE 55 10.259 -21.940 5.820 283 HG22 ILE 55 2HG2 ILE 55 8.651 -21.293 6.152 284 HG23 ILE 55 3HG2 ILE 55 10.049 -20.689 7.045 285 HD11 ILE 55 3HD1 ILE 55 10.830 -18.367 3.349 286 HD12 ILE 55 1HD1 ILE 55 12.214 -19.461 3.334 287 HD13 ILE 55 2HD1 ILE 55 12.353 -17.874 4.092 288 H GLY 56 H GLY 56 7.544 -21.289 4.636 289 HA2 GLY 56 2HA GLY 56 6.363 -23.305 3.589 290 HA3 GLY 56 1HA GLY 56 7.870 -24.096 3.928 291 H ILE 57 H ILE 57 5.926 -21.932 5.866 292 HA ILE 57 HA ILE 57 6.313 -23.380 8.250 293 HB ILE 57 HB ILE 57 4.882 -21.555 9.063 294 HG12 ILE 57 2HG1 ILE 57 4.921 -20.203 6.440 295 HG13 ILE 57 1HG1 ILE 57 3.827 -21.586 6.516 296 HG21 ILE 57 1HG2 ILE 57 6.494 -19.809 7.723 297 HG22 ILE 57 2HG2 ILE 57 7.339 -21.338 7.478 298 HG23 ILE 57 3HG2 ILE 57 7.003 -20.770 9.112 299 HD11 ILE 57 3HD1 ILE 57 3.590 -18.958 7.783 300 HD12 ILE 57 1HD1 ILE 57 3.373 -20.284 8.924 301 HD13 ILE 57 2HD1 ILE 57 2.350 -20.179 7.491 302 H ASP 58 H ASP 58 3.396 -22.422 8.390 303 HA ASP 58 HA ASP 58 1.319 -23.543 8.740 304 HB2 ASP 58 2HB ASP 58 1.301 -23.003 6.364 305 HB3 ASP 58 1HB ASP 58 2.274 -24.436 5.999 Start of MODEL 5 1 H SER 24 H SER 24 7.599 11.046 10.407 2 HA SER 24 HA SER 24 9.849 11.511 8.695 3 HB2 SER 24 2HB SER 24 10.171 8.742 9.596 4 HB3 SER 24 1HB SER 24 11.391 9.993 9.385 5 HG SER 24 HG SER 24 11.384 9.877 11.505 6 H LYS 25 H LYS 25 6.904 11.096 8.716 7 HA LYS 25 HA LYS 25 5.923 8.703 7.750 8 HB2 LYS 25 2HB LYS 25 4.315 10.132 6.507 9 HB3 LYS 25 1HB LYS 25 4.627 10.762 8.126 10 HG2 LYS 25 2HG LYS 25 6.543 12.104 6.878 11 HG3 LYS 25 1HG LYS 25 5.512 11.833 5.472 12 HD2 LYS 25 2HD LYS 25 4.365 12.898 8.049 13 HD3 LYS 25 1HD LYS 25 5.104 13.980 6.868 14 HE2 LYS 25 2HE LYS 25 3.530 13.325 5.159 15 HE3 LYS 25 1HE LYS 25 2.898 12.012 6.172 16 HZ1 LYS 25 3HZ LYS 25 2.265 13.665 7.834 17 HZ2 LYS 25 1HZ LYS 25 1.490 13.963 6.355 18 HZ3 LYS 25 2HZ LYS 25 2.819 14.913 6.823 19 H LYS 26 H LYS 26 6.916 7.394 6.240 20 HA LYS 26 HA LYS 26 8.773 8.092 4.278 21 HB2 LYS 26 2HB LYS 26 7.236 5.858 5.100 22 HB3 LYS 26 1HB LYS 26 7.016 5.997 3.356 23 HG2 LYS 26 2HG LYS 26 9.180 5.453 2.913 24 HG3 LYS 26 1HG LYS 26 9.793 6.393 4.274 25 HD2 LYS 26 2HD LYS 26 8.318 3.784 4.670 26 HD3 LYS 26 1HD LYS 26 10.065 3.844 4.431 27 HE2 LYS 26 2HE LYS 26 9.935 5.686 6.347 28 HE3 LYS 26 1HE LYS 26 8.443 4.815 6.756 29 HZ1 LYS 26 3HZ LYS 26 10.724 3.969 7.656 30 HZ2 LYS 26 1HZ LYS 26 10.868 3.285 6.111 31 HZ3 LYS 26 2HZ LYS 26 9.560 2.860 7.109 32 H GLU 27 H GLU 27 8.347 9.842 2.921 33 HA GLU 27 HA GLU 27 6.065 10.921 1.912 34 HB2 GLU 27 2HB GLU 27 7.550 11.037 -0.331 35 HB3 GLU 27 1HB GLU 27 7.936 11.981 1.104 36 HG2 GLU 27 2HG GLU 27 9.874 10.692 0.049 37 HG3 GLU 27 1HG GLU 27 9.639 10.446 1.776 38 H LYS 28 H LYS 28 4.285 9.655 1.408 39 HA LYS 28 HA LYS 28 4.034 7.169 0.279 40 HB2 LYS 28 2HB LYS 28 2.345 9.093 0.945 41 HB3 LYS 28 1HB LYS 28 2.359 9.421 -0.788 42 HG2 LYS 28 2HG LYS 28 0.578 7.880 -0.485 43 HG3 LYS 28 1HG LYS 28 1.917 6.900 -1.089 44 HD2 LYS 28 2HD LYS 28 2.400 6.789 1.583 45 HD3 LYS 28 1HD LYS 28 0.640 6.908 1.583 46 HE2 LYS 28 2HE LYS 28 1.925 4.985 -0.329 47 HE3 LYS 28 1HE LYS 28 1.802 4.530 1.383 48 HZ1 LYS 28 3HZ LYS 28 -0.543 5.799 0.230 49 HZ2 LYS 28 1HZ LYS 28 -0.438 4.499 1.315 50 HZ3 LYS 28 2HZ LYS 28 -0.203 4.237 -0.348 51 H LYS 29 H LYS 29 4.869 10.155 -1.430 52 HA LYS 29 HA LYS 29 4.575 9.425 -4.091 53 HB2 LYS 29 2HB LYS 29 5.904 11.375 -2.512 54 HB3 LYS 29 1HB LYS 29 7.071 10.788 -3.698 55 HG2 LYS 29 2HG LYS 29 5.908 11.649 -5.467 56 HG3 LYS 29 1HG LYS 29 4.340 11.315 -4.729 57 HD2 LYS 29 2HD LYS 29 5.395 13.221 -3.035 58 HD3 LYS 29 1HD LYS 29 5.978 13.752 -4.614 59 HE2 LYS 29 2HE LYS 29 3.910 14.735 -4.765 60 HE3 LYS 29 1HE LYS 29 3.371 13.100 -5.194 61 HZ1 LYS 29 3HZ LYS 29 2.992 12.619 -2.879 62 HZ2 LYS 29 1HZ LYS 29 2.126 14.015 -3.297 63 HZ3 LYS 29 2HZ LYS 29 3.575 14.147 -2.420 64 H LYS 30 H LYS 30 6.852 9.168 -5.472 65 HA LYS 30 HA LYS 30 7.634 6.530 -5.465 66 HB2 LYS 30 2HB LYS 30 8.840 9.145 -6.235 67 HB3 LYS 30 1HB LYS 30 9.897 7.731 -6.280 68 HG2 LYS 30 2HG LYS 30 8.818 6.830 -8.066 69 HG3 LYS 30 1HG LYS 30 7.230 7.288 -7.451 70 HD2 LYS 30 2HD LYS 30 8.070 9.733 -8.048 71 HD3 LYS 30 1HD LYS 30 9.125 8.856 -9.160 72 HE2 LYS 30 2HE LYS 30 7.399 8.488 -10.584 73 HE3 LYS 30 1HE LYS 30 6.407 7.815 -9.275 74 HZ1 LYS 30 3HZ LYS 30 6.894 10.678 -9.175 75 HZ2 LYS 30 1HZ LYS 30 5.484 9.806 -8.815 76 HZ3 LYS 30 2HZ LYS 30 5.878 10.150 -10.431 77 H GLY 31 H GLY 31 8.608 5.278 -3.918 78 HA2 GLY 31 2HA GLY 31 9.462 6.037 -1.418 79 HA3 GLY 31 1HA GLY 31 10.143 4.644 -2.252 80 HA PRO 32 HA PRO 32 13.284 8.094 -1.623 81 HB2 PRO 32 2HB PRO 32 14.871 6.803 0.161 82 HB3 PRO 32 1HB PRO 32 13.526 7.868 0.634 83 HG2 PRO 32 2HG PRO 32 13.610 4.912 0.421 84 HG3 PRO 32 1HG PRO 32 12.886 5.936 1.670 85 HD2 PRO 32 2HD PRO 32 11.414 4.755 -0.255 86 HD3 PRO 32 1HD PRO 32 10.994 6.346 0.424 87 H GLU 33 H GLU 33 15.887 7.463 -1.678 88 HA GLU 33 HA GLU 33 16.129 5.761 -3.996 89 HB2 GLU 33 2HB GLU 33 17.681 7.361 -4.466 90 HB3 GLU 33 1HB GLU 33 17.232 8.083 -2.917 91 HG2 GLU 33 2HG GLU 33 18.974 7.020 -1.760 92 HG3 GLU 33 1HG GLU 33 19.233 5.843 -3.045 93 H LYS 34 H LYS 34 16.028 5.258 -0.950 94 HA LYS 34 HA LYS 34 18.224 3.591 -0.258 95 HB2 LYS 34 2HB LYS 34 15.746 4.621 0.722 96 HB3 LYS 34 1HB LYS 34 15.876 2.931 1.134 97 HG2 LYS 34 2HG LYS 34 18.282 4.640 1.512 98 HG3 LYS 34 1HG LYS 34 16.953 4.855 2.650 99 HD2 LYS 34 2HD LYS 34 17.031 2.531 3.295 100 HD3 LYS 34 1HD LYS 34 18.177 2.160 2.004 101 HE2 LYS 34 2HE LYS 34 19.499 2.345 3.999 102 HE3 LYS 34 1HE LYS 34 19.743 3.875 3.135 103 HZ1 LYS 34 3HZ LYS 34 19.060 4.752 5.086 104 HZ2 LYS 34 1HZ LYS 34 18.246 3.346 5.573 105 HZ3 LYS 34 2HZ LYS 34 17.512 4.415 4.474 106 H THR 35 H THR 35 18.217 1.232 -0.187 107 HA THR 35 HA THR 35 16.019 -0.271 -1.282 108 HB THR 35 HB THR 35 18.306 -0.699 -2.973 109 HG1 THR 35 1HG THR 35 17.026 1.752 -3.393 110 HG21 THR 35 3HG2 THR 35 16.587 -1.421 -4.216 111 HG22 THR 35 1HG2 THR 35 16.078 0.254 -4.423 112 HG23 THR 35 2HG2 THR 35 15.443 -0.702 -3.084 113 H ASP 36 H ASP 36 19.305 -0.181 -0.111 114 HA ASP 36 HA ASP 36 19.373 -3.138 0.138 115 HB2 ASP 36 2HB ASP 36 21.234 -1.059 -0.362 116 HB3 ASP 36 1HB ASP 36 21.671 -1.785 1.184 117 H GLU 37 H GLU 37 20.476 -0.581 2.241 118 HA GLU 37 HA GLU 37 20.003 -2.024 4.651 119 HB2 GLU 37 2HB GLU 37 20.757 0.697 3.784 120 HB3 GLU 37 1HB GLU 37 20.013 0.606 5.381 121 HG2 GLU 37 2HG GLU 37 21.773 -1.522 5.417 122 HG3 GLU 37 1HG GLU 37 22.663 -0.305 4.505 123 H TYR 38 H TYR 38 17.971 -0.425 2.489 124 HA TYR 38 HA TYR 38 15.890 0.361 4.341 125 HB2 TYR 38 2HB TYR 38 15.276 1.555 2.531 126 HB3 TYR 38 1HB TYR 38 16.762 0.978 1.798 127 HD1 TYR 38 1HD TYR 38 16.325 -1.763 1.090 128 HD2 TYR 38 2HD TYR 38 13.573 1.524 1.032 129 HE1 TYR 38 1HE TYR 38 14.974 -2.916 -0.643 130 HE2 TYR 38 2HE TYR 38 12.220 0.382 -0.700 131 HH TYR 38 HH TYR 38 11.959 -1.476 -1.898 132 H LEU 39 H LEU 39 16.752 -2.563 2.703 133 HA LEU 39 HA LEU 39 14.371 -3.914 2.302 134 HB2 LEU 39 2HB LEU 39 17.150 -4.503 2.993 135 HB3 LEU 39 1HB LEU 39 16.040 -5.732 3.583 136 HG LEU 39 HG LEU 39 16.576 -6.468 1.425 137 HD11 LEU 39 1HD1 LEU 39 14.516 -6.624 0.454 138 HD12 LEU 39 2HD1 LEU 39 14.249 -4.882 0.512 139 HD13 LEU 39 3HD1 LEU 39 14.010 -5.860 1.960 140 HD21 LEU 39 3HD2 LEU 39 17.651 -4.994 0.109 141 HD22 LEU 39 1HD2 LEU 39 16.937 -3.628 0.966 142 HD23 LEU 39 2HD2 LEU 39 16.065 -4.390 -0.365 143 H LEU 40 H LEU 40 16.239 -3.878 5.342 144 HA LEU 40 HA LEU 40 14.319 -5.135 6.983 145 HB2 LEU 40 2HB LEU 40 16.624 -3.241 7.326 146 HB3 LEU 40 1HB LEU 40 15.672 -3.716 8.733 147 HG LEU 40 HG LEU 40 17.756 -5.145 8.104 148 HD11 LEU 40 1HD1 LEU 40 15.031 -6.398 8.553 149 HD12 LEU 40 2HD1 LEU 40 16.106 -5.781 9.807 150 HD13 LEU 40 3HD1 LEU 40 16.574 -7.195 8.862 151 HD21 LEU 40 3HD2 LEU 40 15.701 -6.170 6.114 152 HD22 LEU 40 1HD2 LEU 40 17.218 -6.981 6.506 153 HD23 LEU 40 2HD2 LEU 40 17.240 -5.406 5.714 154 H ALA 41 H ALA 41 14.717 -1.769 6.005 155 HA ALA 41 HA ALA 41 13.032 -0.420 7.746 156 HB1 ALA 41 1HB ALA 41 14.367 0.228 5.547 157 HB2 ALA 41 2HB ALA 41 12.978 1.194 6.042 158 HB3 ALA 41 3HB ALA 41 12.801 -0.021 4.775 159 H ARG 42 H ARG 42 12.229 -2.574 5.075 160 HA ARG 42 HA ARG 42 9.377 -2.249 5.414 161 HB2 ARG 42 2HB ARG 42 11.216 -3.731 3.570 162 HB3 ARG 42 1HB ARG 42 9.472 -3.979 3.509 163 HG2 ARG 42 2HG ARG 42 9.842 -1.187 3.582 164 HG3 ARG 42 1HG ARG 42 11.030 -1.797 2.432 165 HD2 ARG 42 2HD ARG 42 9.379 -2.756 1.042 166 HD3 ARG 42 1HD ARG 42 8.157 -2.735 2.331 167 HE ARG 42 HE ARG 42 9.163 -0.073 1.712 168 HH11 ARG 42 1HH1 ARG 42 8.107 -1.501 -0.836 169 HH12 ARG 42 2HH1 ARG 42 6.482 -0.901 -0.867 170 HH21 ARG 42 1HH2 ARG 42 6.564 0.247 2.404 171 HH22 ARG 42 2HH2 ARG 42 5.609 0.090 0.967 172 H PHE 43 H PHE 43 11.864 -4.410 6.454 173 HA PHE 43 HA PHE 43 10.728 -6.895 6.753 174 HB2 PHE 43 2HB PHE 43 12.639 -5.189 8.172 175 HB3 PHE 43 1HB PHE 43 11.897 -6.388 9.214 176 HD1 PHE 43 2HD PHE 43 12.975 -6.358 5.620 177 HD2 PHE 43 1HD PHE 43 13.272 -8.242 9.468 178 HE1 PHE 43 2HE PHE 43 14.468 -8.089 4.658 179 HE2 PHE 43 1HE PHE 43 14.767 -9.971 8.508 180 HZ PHE 43 HZ PHE 43 15.363 -9.897 6.101 181 H LYS 44 H LYS 44 9.958 -3.982 8.621 182 HA LYS 44 HA LYS 44 8.265 -5.300 10.471 183 HB2 LYS 44 2HB LYS 44 8.992 -2.511 9.725 184 HB3 LYS 44 1HB LYS 44 7.704 -2.799 10.902 185 HG2 LYS 44 2HG LYS 44 9.894 -2.564 12.010 186 HG3 LYS 44 1HG LYS 44 9.219 -4.175 12.241 187 HD2 LYS 44 2HD LYS 44 10.694 -5.148 10.687 188 HD3 LYS 44 1HD LYS 44 11.117 -3.587 9.984 189 HE2 LYS 44 2HE LYS 44 12.667 -3.125 11.614 190 HE3 LYS 44 1HE LYS 44 11.701 -3.898 12.887 191 HZ1 LYS 44 3HZ LYS 44 12.267 -6.044 12.051 192 HZ2 LYS 44 1HZ LYS 44 13.715 -5.182 12.244 193 HZ3 LYS 44 2HZ LYS 44 13.048 -5.383 10.695 194 H GLY 45 H GLY 45 7.722 -5.157 7.410 195 HA2 GLY 45 2HA GLY 45 4.799 -4.963 7.686 196 HA3 GLY 45 1HA GLY 45 5.538 -3.836 6.559 197 H ASP 46 H ASP 46 6.286 -4.596 4.616 198 HA ASP 46 HA ASP 46 5.266 -7.202 3.749 199 HB2 ASP 46 2HB ASP 46 6.927 -5.720 1.842 200 HB3 ASP 46 1HB ASP 46 5.250 -6.235 1.710 201 H GLY 47 H GLY 47 7.077 -7.793 5.573 202 HA2 GLY 47 2HA GLY 47 9.453 -8.693 3.996 203 HA3 GLY 47 1HA GLY 47 9.630 -8.084 5.645 204 H VAL 48 H VAL 48 8.458 -9.225 7.309 205 HA VAL 48 HA VAL 48 8.927 -11.971 7.467 206 HB VAL 48 HB VAL 48 8.580 -10.932 9.521 207 HG11 VAL 48 1HG1 VAL 48 6.718 -9.257 7.962 208 HG12 VAL 48 2HG1 VAL 48 7.834 -8.802 9.251 209 HG13 VAL 48 3HG1 VAL 48 6.270 -9.516 9.647 210 HG21 VAL 48 3HG2 VAL 48 5.732 -11.646 8.906 211 HG22 VAL 48 1HG2 VAL 48 6.510 -11.612 10.486 212 HG23 VAL 48 2HG2 VAL 48 6.969 -12.840 9.303 213 H LYS 49 H LYS 49 5.958 -10.248 6.578 214 HA LYS 49 HA LYS 49 4.034 -12.153 6.516 215 HB2 LYS 49 2HB LYS 49 3.367 -10.913 4.320 216 HB3 LYS 49 1HB LYS 49 3.491 -10.003 5.821 217 HG2 LYS 49 2HG LYS 49 5.130 -8.718 4.984 218 HG3 LYS 49 1HG LYS 49 6.063 -10.130 4.495 219 HD2 LYS 49 2HD LYS 49 5.524 -8.836 2.511 220 HD3 LYS 49 1HD LYS 49 4.592 -10.331 2.477 221 HE2 LYS 49 2HE LYS 49 3.194 -8.175 3.899 222 HE3 LYS 49 1HE LYS 49 3.520 -7.781 2.202 223 HZ1 LYS 49 3HZ LYS 49 2.789 -10.474 2.317 224 HZ2 LYS 49 1HZ LYS 49 1.928 -9.194 1.617 225 HZ3 LYS 49 2HZ LYS 49 1.651 -9.618 3.237 226 H TYR 50 H TYR 50 6.142 -11.696 3.588 227 HA TYR 50 HA TYR 50 5.287 -14.339 2.700 228 HB2 TYR 50 2HB TYR 50 6.452 -13.625 0.668 229 HB3 TYR 50 1HB TYR 50 5.286 -12.428 1.220 230 HD1 TYR 50 2HD TYR 50 8.897 -13.312 1.768 231 HD2 TYR 50 1HD TYR 50 5.950 -10.251 1.214 232 HE1 TYR 50 2HE TYR 50 10.687 -11.594 1.826 233 HE2 TYR 50 1HE TYR 50 7.732 -8.530 1.248 234 HH TYR 50 HH TYR 50 10.770 -9.004 0.722 235 H LYS 51 H LYS 51 8.172 -12.810 4.054 236 HA LYS 51 HA LYS 51 10.126 -14.680 3.308 237 HB2 LYS 51 2HB LYS 51 9.648 -12.680 5.374 238 HB3 LYS 51 1HB LYS 51 10.676 -13.988 5.938 239 HG2 LYS 51 2HG LYS 51 11.324 -13.008 3.233 240 HG3 LYS 51 1HG LYS 51 11.587 -11.835 4.526 241 HD2 LYS 51 2HD LYS 51 12.831 -13.679 5.773 242 HD3 LYS 51 1HD LYS 51 12.777 -14.603 4.270 243 HE2 LYS 51 2HE LYS 51 14.273 -13.201 3.193 244 HE3 LYS 51 1HE LYS 51 13.769 -11.779 4.129 245 HZ1 LYS 51 3HZ LYS 51 14.742 -12.824 6.110 246 HZ2 LYS 51 1HZ LYS 51 15.908 -12.534 4.913 247 HZ3 LYS 51 2HZ LYS 51 15.310 -14.106 5.151 248 H ALA 52 H ALA 52 7.891 -14.765 5.968 249 HA ALA 52 HA ALA 52 8.685 -17.278 7.036 250 HB1 ALA 52 1HB ALA 52 7.272 -15.216 7.925 251 HB2 ALA 52 2HB ALA 52 7.005 -16.837 8.569 252 HB3 ALA 52 3HB ALA 52 5.933 -16.195 7.325 253 H LYS 53 H LYS 53 5.935 -16.259 5.195 254 HA LYS 53 HA LYS 53 4.667 -18.723 4.771 255 HB2 LYS 53 2HB LYS 53 4.812 -16.070 3.361 256 HB3 LYS 53 1HB LYS 53 3.786 -17.357 2.742 257 HG2 LYS 53 2HG LYS 53 2.949 -17.501 5.233 258 HG3 LYS 53 1HG LYS 53 3.577 -15.856 5.329 259 HD2 LYS 53 2HD LYS 53 2.120 -15.091 3.601 260 HD3 LYS 53 1HD LYS 53 1.689 -16.738 3.138 261 HE2 LYS 53 2HE LYS 53 0.821 -16.933 5.611 262 HE3 LYS 53 1HE LYS 53 0.792 -15.160 5.541 263 HZ1 LYS 53 3HZ LYS 53 -0.611 -17.088 3.787 264 HZ2 LYS 53 1HZ LYS 53 -0.340 -15.484 3.302 265 HZ3 LYS 53 2HZ LYS 53 -1.272 -15.807 4.685 266 H LEU 54 H LEU 54 6.899 -17.015 2.479 267 HA LEU 54 HA LEU 54 6.942 -18.841 0.432 268 HB2 LEU 54 2HB LEU 54 9.011 -17.108 1.701 269 HB3 LEU 54 1HB LEU 54 9.220 -17.882 0.120 270 HG LEU 54 HG LEU 54 6.988 -16.031 0.934 271 HD11 LEU 54 1HD1 LEU 54 9.498 -15.436 0.129 272 HD12 LEU 54 2HD1 LEU 54 8.093 -14.414 -0.177 273 HD13 LEU 54 3HD1 LEU 54 8.662 -15.530 -1.421 274 HD21 LEU 54 3HD2 LEU 54 7.332 -17.931 -1.335 275 HD22 LEU 54 1HD2 LEU 54 6.576 -16.374 -1.675 276 HD23 LEU 54 2HD2 LEU 54 5.866 -17.457 -0.478 277 H ILE 55 H ILE 55 8.434 -19.040 3.564 278 HA ILE 55 HA ILE 55 10.239 -21.145 3.061 279 HB ILE 55 HB ILE 55 9.235 -19.312 5.052 280 HG12 ILE 55 2HG1 ILE 55 11.401 -18.921 5.466 281 HG13 ILE 55 1HG1 ILE 55 11.907 -20.589 5.189 282 HG21 ILE 55 1HG2 ILE 55 10.166 -20.760 6.911 283 HG22 ILE 55 2HG2 ILE 55 9.790 -22.093 5.814 284 HG23 ILE 55 3HG2 ILE 55 8.512 -20.998 6.347 285 HD11 ILE 55 3HD1 ILE 55 10.803 -18.940 2.932 286 HD12 ILE 55 1HD1 ILE 55 11.924 -20.301 2.866 287 HD13 ILE 55 2HD1 ILE 55 12.483 -18.723 3.421 288 H GLY 56 H GLY 56 7.193 -20.965 4.878 289 HA2 GLY 56 2HA GLY 56 5.430 -22.641 4.528 290 HA3 GLY 56 1HA GLY 56 6.717 -23.773 4.244 291 H ILE 57 H ILE 57 6.192 -21.448 6.784 292 HA ILE 57 HA ILE 57 7.138 -23.093 8.850 293 HB ILE 57 HB ILE 57 6.431 -21.110 10.136 294 HG12 ILE 57 2HG1 ILE 57 5.767 -19.637 7.663 295 HG13 ILE 57 1HG1 ILE 57 4.548 -20.815 8.147 296 HG21 ILE 57 1HG2 ILE 57 8.296 -20.054 9.397 297 HG22 ILE 57 2HG2 ILE 57 7.698 -19.974 7.740 298 HG23 ILE 57 3HG2 ILE 57 8.446 -21.455 8.336 299 HD11 ILE 57 3HD1 ILE 57 4.650 -19.809 10.473 300 HD12 ILE 57 1HD1 ILE 57 3.985 -18.745 9.233 301 HD13 ILE 57 2HD1 ILE 57 5.643 -18.520 9.791 302 H ASP 58 H ASP 58 4.686 -21.679 10.056 303 HA ASP 58 HA ASP 58 3.225 -23.679 11.188 304 HB2 ASP 58 2HB ASP 58 2.958 -21.111 11.266 305 HB3 ASP 58 1HB ASP 58 1.853 -21.313 9.898 Start of MODEL 6 1 H SER 24 H SER 24 -2.514 13.317 22.997 2 HA SER 24 HA SER 24 -1.721 15.579 21.431 3 HB2 SER 24 2HB SER 24 0.575 14.635 20.799 4 HB3 SER 24 1HB SER 24 0.454 15.345 22.406 5 HG SER 24 HG SER 24 -0.057 12.605 21.975 6 H LYS 25 H LYS 25 -3.764 14.141 20.788 7 HA LYS 25 HA LYS 25 -3.770 11.661 19.616 8 HB2 LYS 25 2HB LYS 25 -5.325 13.977 19.586 9 HB3 LYS 25 1HB LYS 25 -5.006 13.659 17.880 10 HG2 LYS 25 2HG LYS 25 -6.138 11.674 19.875 11 HG3 LYS 25 1HG LYS 25 -7.041 12.482 18.594 12 HD2 LYS 25 2HD LYS 25 -5.583 11.421 16.902 13 HD3 LYS 25 1HD LYS 25 -4.697 10.601 18.187 14 HE2 LYS 25 2HE LYS 25 -7.695 10.293 17.890 15 HE3 LYS 25 1HE LYS 25 -6.550 9.225 17.053 16 HZ1 LYS 25 3HZ LYS 25 -7.206 8.438 19.311 17 HZ2 LYS 25 1HZ LYS 25 -6.442 9.803 19.964 18 HZ3 LYS 25 2HZ LYS 25 -5.533 8.650 19.110 19 H LYS 26 H LYS 26 -2.941 14.636 17.780 20 HA LYS 26 HA LYS 26 -1.657 14.882 15.806 21 HB2 LYS 26 2HB LYS 26 -0.332 13.297 17.838 22 HB3 LYS 26 1HB LYS 26 0.221 12.821 16.233 23 HG2 LYS 26 2HG LYS 26 0.523 15.312 15.749 24 HG3 LYS 26 1HG LYS 26 0.294 15.575 17.479 25 HD2 LYS 26 2HD LYS 26 2.470 13.953 16.137 26 HD3 LYS 26 1HD LYS 26 2.664 15.407 17.115 27 HE2 LYS 26 2HE LYS 26 2.996 14.005 18.877 28 HE3 LYS 26 1HE LYS 26 1.259 13.648 18.786 29 HZ1 LYS 26 3HZ LYS 26 1.851 12.035 16.972 30 HZ2 LYS 26 1HZ LYS 26 2.364 11.589 18.525 31 HZ3 LYS 26 2HZ LYS 26 3.478 12.232 17.416 32 H GLU 27 H GLU 27 -0.580 13.357 13.973 33 HA GLU 27 HA GLU 27 -2.592 11.986 12.621 34 HB2 GLU 27 2HB GLU 27 -0.050 12.756 12.131 35 HB3 GLU 27 1HB GLU 27 0.210 11.024 12.337 36 HG2 GLU 27 2HG GLU 27 -0.806 10.529 10.376 37 HG3 GLU 27 1HG GLU 27 -2.132 11.651 10.685 38 H LYS 28 H LYS 28 -1.933 9.435 12.002 39 HA LYS 28 HA LYS 28 -2.963 7.741 13.895 40 HB2 LYS 28 2HB LYS 28 -1.907 6.008 12.628 41 HB3 LYS 28 1HB LYS 28 -2.147 7.341 11.499 42 HG2 LYS 28 2HG LYS 28 0.060 7.348 11.084 43 HG3 LYS 28 1HG LYS 28 0.350 7.793 12.765 44 HD2 LYS 28 2HD LYS 28 1.490 5.804 12.786 45 HD3 LYS 28 1HD LYS 28 -0.123 5.148 13.074 46 HE2 LYS 28 2HE LYS 28 -0.408 4.817 10.620 47 HE3 LYS 28 1HE LYS 28 1.251 5.397 10.372 48 HZ1 LYS 28 3HZ LYS 28 0.349 2.862 11.360 49 HZ2 LYS 28 1HZ LYS 28 1.468 3.590 12.406 50 HZ3 LYS 28 2HZ LYS 28 1.881 3.311 10.783 51 H LYS 29 H LYS 29 -1.855 6.178 15.395 52 HA LYS 29 HA LYS 29 -0.184 7.470 17.272 53 HB2 LYS 29 2HB LYS 29 -1.807 5.553 17.575 54 HB3 LYS 29 1HB LYS 29 -0.583 4.503 16.859 55 HG2 LYS 29 2HG LYS 29 0.977 4.982 18.630 56 HG3 LYS 29 1HG LYS 29 -0.063 6.254 19.276 57 HD2 LYS 29 2HD LYS 29 -1.748 4.060 19.212 58 HD3 LYS 29 1HD LYS 29 -0.201 3.352 19.678 59 HE2 LYS 29 2HE LYS 29 -1.170 4.007 21.748 60 HE3 LYS 29 1HE LYS 29 -0.064 5.342 21.370 61 HZ1 LYS 29 3HZ LYS 29 -2.019 6.325 20.111 62 HZ2 LYS 29 1HZ LYS 29 -2.103 6.377 21.803 63 HZ3 LYS 29 2HZ LYS 29 -2.991 5.208 20.947 64 H LYS 30 H LYS 30 1.350 7.990 15.129 65 HA LYS 30 HA LYS 30 3.172 6.163 14.108 66 HB2 LYS 30 2HB LYS 30 4.475 8.119 13.632 67 HB3 LYS 30 1HB LYS 30 2.788 8.630 13.624 68 HG2 LYS 30 2HG LYS 30 2.965 9.612 15.786 69 HG3 LYS 30 1HG LYS 30 4.513 8.829 16.099 70 HD2 LYS 30 2HD LYS 30 4.864 11.188 15.524 71 HD3 LYS 30 1HD LYS 30 5.538 10.149 14.269 72 HE2 LYS 30 2HE LYS 30 3.222 10.413 13.104 73 HE3 LYS 30 1HE LYS 30 3.024 11.814 14.177 74 HZ1 LYS 30 3HZ LYS 30 5.300 12.509 13.456 75 HZ2 LYS 30 1HZ LYS 30 4.121 12.593 12.239 76 HZ3 LYS 30 2HZ LYS 30 5.230 11.306 12.258 77 H GLY 31 H GLY 31 5.256 5.450 14.798 78 HA2 GLY 31 2HA GLY 31 5.586 4.749 17.485 79 HA3 GLY 31 1HA GLY 31 6.888 4.770 16.307 80 HA PRO 32 HA PRO 32 7.924 7.887 19.502 81 HB2 PRO 32 2HB PRO 32 10.580 7.311 19.455 82 HB3 PRO 32 1HB PRO 32 9.403 6.473 20.495 83 HG2 PRO 32 2HG PRO 32 10.517 5.658 17.869 84 HG3 PRO 32 1HG PRO 32 10.248 4.696 19.328 85 HD2 PRO 32 2HD PRO 32 8.574 4.584 17.230 86 HD3 PRO 32 1HD PRO 32 7.991 4.447 18.906 87 H GLU 33 H GLU 33 10.277 9.263 19.140 88 HA GLU 33 HA GLU 33 9.729 10.716 16.708 89 HB2 GLU 33 2HB GLU 33 10.359 12.369 18.132 90 HB3 GLU 33 1HB GLU 33 10.671 11.087 19.308 91 HG2 GLU 33 2HG GLU 33 12.727 12.182 19.208 92 HG3 GLU 33 1HG GLU 33 12.956 10.832 18.102 93 H LYS 34 H LYS 34 11.222 8.104 17.112 94 HA LYS 34 HA LYS 34 13.848 8.247 16.116 95 HB2 LYS 34 2HB LYS 34 11.770 6.425 16.789 96 HB3 LYS 34 1HB LYS 34 12.490 5.917 15.287 97 HG2 LYS 34 2HG LYS 34 14.063 6.648 17.754 98 HG3 LYS 34 1HG LYS 34 13.607 4.993 17.351 99 HD2 LYS 34 2HD LYS 34 15.379 4.828 15.970 100 HD3 LYS 34 1HD LYS 34 14.785 6.200 15.034 101 HE2 LYS 34 2HE LYS 34 16.753 7.160 15.755 102 HE3 LYS 34 1HE LYS 34 15.791 7.500 17.208 103 HZ1 LYS 34 3HZ LYS 34 17.596 5.202 16.717 104 HZ2 LYS 34 1HZ LYS 34 16.432 5.190 17.950 105 HZ3 LYS 34 2HZ LYS 34 17.677 6.346 17.971 106 H THR 35 H THR 35 14.542 7.666 13.848 107 HA THR 35 HA THR 35 12.566 7.756 11.744 108 HB THR 35 HB THR 35 14.365 9.897 11.246 109 HG1 THR 35 1HG THR 35 14.456 10.797 13.118 110 HG21 THR 35 3HG2 THR 35 11.471 9.355 11.299 111 HG22 THR 35 1HG2 THR 35 12.432 10.210 10.091 112 HG23 THR 35 2HG2 THR 35 11.917 11.043 11.558 113 H ASP 36 H ASP 36 15.929 7.643 12.691 114 HA ASP 36 HA ASP 36 16.736 6.837 9.952 115 HB2 ASP 36 2HB ASP 36 18.001 7.920 12.385 116 HB3 ASP 36 1HB ASP 36 18.983 6.764 11.486 117 H GLU 37 H GLU 37 17.684 5.680 13.100 118 HA GLU 37 HA GLU 37 18.173 3.006 12.263 119 HB2 GLU 37 2HB GLU 37 17.931 4.555 14.785 120 HB3 GLU 37 1HB GLU 37 17.763 2.805 14.930 121 HG2 GLU 37 2HG GLU 37 20.022 3.853 13.278 122 HG3 GLU 37 1HG GLU 37 20.159 3.977 15.032 123 H TYR 38 H TYR 38 15.337 4.732 12.876 124 HA TYR 38 HA TYR 38 13.664 2.523 13.712 125 HB2 TYR 38 2HB TYR 38 12.315 4.232 14.280 126 HB3 TYR 38 1HB TYR 38 13.684 5.253 13.884 127 HD1 TYR 38 1HD TYR 38 13.817 5.286 11.009 128 HD2 TYR 38 2HD TYR 38 10.387 5.228 13.571 129 HE1 TYR 38 1HE TYR 38 12.470 6.355 9.224 130 HE2 TYR 38 2HE TYR 38 9.029 6.304 11.800 131 HH TYR 38 HH TYR 38 9.090 7.307 9.795 132 H LEU 39 H LEU 39 14.715 3.745 10.640 133 HA LEU 39 HA LEU 39 12.628 3.110 8.922 134 HB2 LEU 39 2HB LEU 39 15.550 3.263 8.874 135 HB3 LEU 39 1HB LEU 39 14.914 2.128 7.690 136 HG LEU 39 HG LEU 39 14.944 4.184 6.549 137 HD11 LEU 39 1HD1 LEU 39 12.779 4.308 5.869 138 HD12 LEU 39 2HD1 LEU 39 12.183 4.570 7.508 139 HD13 LEU 39 3HD1 LEU 39 12.567 2.939 6.959 140 HD21 LEU 39 3HD2 LEU 39 15.438 5.746 8.239 141 HD22 LEU 39 1HD2 LEU 39 14.014 5.300 9.178 142 HD23 LEU 39 2HD2 LEU 39 13.833 6.227 7.689 143 H LEU 40 H LEU 40 15.233 0.913 9.990 144 HA LEU 40 HA LEU 40 14.166 -1.470 8.915 145 HB2 LEU 40 2HB LEU 40 16.012 -0.686 11.150 146 HB3 LEU 40 1HB LEU 40 15.623 -2.388 10.892 147 HG LEU 40 HG LEU 40 17.701 -1.428 9.681 148 HD11 LEU 40 1HD1 LEU 40 16.451 -2.584 7.454 149 HD12 LEU 40 2HD1 LEU 40 15.617 -3.277 8.845 150 HD13 LEU 40 3HD1 LEU 40 17.368 -3.435 8.699 151 HD21 LEU 40 3HD2 LEU 40 15.461 -0.308 7.964 152 HD22 LEU 40 1HD2 LEU 40 17.151 -0.398 7.469 153 HD23 LEU 40 2HD2 LEU 40 16.683 0.627 8.826 154 H ALA 41 H ALA 41 13.354 0.344 11.778 155 HA ALA 41 HA ALA 41 12.072 -1.591 13.345 156 HB1 ALA 41 1HB ALA 41 12.510 1.024 13.557 157 HB2 ALA 41 2HB ALA 41 11.179 0.275 14.437 158 HB3 ALA 41 3HB ALA 41 10.868 1.125 12.923 159 H ARG 42 H ARG 42 10.979 0.182 10.496 160 HA ARG 42 HA ARG 42 8.367 -1.061 10.489 161 HB2 ARG 42 2HB ARG 42 9.838 0.977 8.851 162 HB3 ARG 42 1HB ARG 42 8.238 0.404 8.381 163 HG2 ARG 42 2HG ARG 42 8.697 1.357 11.191 164 HG3 ARG 42 1HG ARG 42 8.458 2.539 9.905 165 HD2 ARG 42 2HD ARG 42 6.553 0.222 10.358 166 HD3 ARG 42 1HD ARG 42 6.321 1.823 11.088 167 HE ARG 42 HE ARG 42 6.825 2.332 8.391 168 HH11 ARG 42 1HH2 ARG 42 4.267 1.784 10.460 169 HH12 ARG 42 2HH2 ARG 42 3.114 1.386 9.229 170 HH21 ARG 42 1HH1 ARG 42 5.471 1.265 6.690 171 HH22 ARG 42 2HH1 ARG 42 3.795 1.094 7.095 172 H PHE 43 H PHE 43 11.456 -1.595 9.098 173 HA PHE 43 HA PHE 43 11.097 -2.699 6.607 174 HB2 PHE 43 2HB PHE 43 12.860 -3.044 8.911 175 HB3 PHE 43 1HB PHE 43 12.778 -4.480 7.903 176 HD1 PHE 43 2HD PHE 43 12.693 -0.796 7.235 177 HD2 PHE 43 1HD PHE 43 14.555 -4.576 6.409 178 HE1 PHE 43 2HE PHE 43 14.189 0.302 5.588 179 HE2 PHE 43 1HE PHE 43 16.054 -3.478 4.762 180 HZ PHE 43 HZ PHE 43 15.870 -1.039 4.352 181 H LYS 44 H LYS 44 9.866 -3.998 9.624 182 HA LYS 44 HA LYS 44 9.454 -6.640 8.733 183 HB2 LYS 44 2HB LYS 44 8.568 -4.913 10.990 184 HB3 LYS 44 1HB LYS 44 7.892 -6.537 10.813 185 HG2 LYS 44 2HG LYS 44 9.900 -6.556 12.241 186 HG3 LYS 44 1HG LYS 44 10.151 -7.480 10.762 187 HD2 LYS 44 2HD LYS 44 11.482 -5.795 9.796 188 HD3 LYS 44 1HD LYS 44 10.934 -4.583 10.954 189 HE2 LYS 44 2HE LYS 44 12.146 -6.846 12.326 190 HE3 LYS 44 1HE LYS 44 13.273 -6.105 11.171 191 HZ1 LYS 44 3HZ LYS 44 13.269 -4.952 13.329 192 HZ2 LYS 44 1HZ LYS 44 11.620 -4.605 13.134 193 HZ3 LYS 44 2HZ LYS 44 12.758 -3.940 12.063 194 H GLY 45 H GLY 45 8.155 -4.165 7.353 195 HA2 GLY 45 2HA GLY 45 5.312 -4.662 7.454 196 HA3 GLY 45 1HA GLY 45 6.128 -3.629 6.294 197 H ASP 46 H ASP 46 7.069 -4.615 4.463 198 HA ASP 46 HA ASP 46 5.608 -7.014 3.548 199 HB2 ASP 46 2HB ASP 46 7.391 -5.843 1.588 200 HB3 ASP 46 1HB ASP 46 5.635 -5.951 1.568 201 H GLY 47 H GLY 47 7.273 -7.936 5.326 202 HA2 GLY 47 2HA GLY 47 9.465 -9.162 3.728 203 HA3 GLY 47 1HA GLY 47 9.845 -8.456 5.301 204 H VAL 48 H VAL 48 8.648 -9.308 7.134 205 HA VAL 48 HA VAL 48 8.855 -12.055 7.504 206 HB VAL 48 HB VAL 48 8.743 -10.809 9.467 207 HG11 VAL 48 1HG1 VAL 48 6.949 -9.115 7.870 208 HG12 VAL 48 2HG1 VAL 48 8.138 -8.661 9.090 209 HG13 VAL 48 3HG1 VAL 48 6.536 -9.212 9.580 210 HG21 VAL 48 3HG2 VAL 48 6.638 -11.169 10.596 211 HG22 VAL 48 1HG2 VAL 48 7.032 -12.583 9.618 212 HG23 VAL 48 2HG2 VAL 48 5.830 -11.423 9.046 213 H LYS 49 H LYS 49 5.952 -10.155 6.713 214 HA LYS 49 HA LYS 49 3.925 -11.964 6.867 215 HB2 LYS 49 2HB LYS 49 3.194 -10.763 4.646 216 HB3 LYS 49 1HB LYS 49 3.391 -9.836 6.129 217 HG2 LYS 49 2HG LYS 49 5.104 -8.649 5.278 218 HG3 LYS 49 1HG LYS 49 5.888 -10.086 4.630 219 HD2 LYS 49 2HD LYS 49 5.299 -8.739 2.738 220 HD3 LYS 49 1HD LYS 49 4.127 -10.058 2.786 221 HE2 LYS 49 2HE LYS 49 2.712 -8.377 4.246 222 HE3 LYS 49 1HE LYS 49 3.728 -7.153 3.453 223 HZ1 LYS 49 3HZ LYS 49 2.285 -9.322 2.022 224 HZ2 LYS 49 1HZ LYS 49 3.164 -8.054 1.319 225 HZ3 LYS 49 2HZ LYS 49 1.721 -7.725 2.153 226 H TYR 50 H TYR 50 5.850 -11.690 3.789 227 HA TYR 50 HA TYR 50 4.858 -14.336 3.041 228 HB2 TYR 50 2HB TYR 50 5.933 -13.697 0.920 229 HB3 TYR 50 1HB TYR 50 4.797 -12.482 1.495 230 HD1 TYR 50 1HD TYR 50 8.418 -13.392 1.793 231 HD2 TYR 50 2HD TYR 50 5.464 -10.300 1.526 232 HE1 TYR 50 1HE TYR 50 10.224 -11.683 1.734 233 HE2 TYR 50 2HE TYR 50 7.253 -8.586 1.470 234 HH TYR 50 HH TYR 50 9.442 -8.210 1.444 235 H LYS 51 H LYS 51 7.819 -12.807 4.190 236 HA LYS 51 HA LYS 51 9.780 -14.591 3.382 237 HB2 LYS 51 2HB LYS 51 9.221 -12.901 5.753 238 HB3 LYS 51 1HB LYS 51 10.535 -14.056 5.885 239 HG2 LYS 51 2HG LYS 51 10.407 -12.452 3.394 240 HG3 LYS 51 1HG LYS 51 10.920 -11.618 4.861 241 HD2 LYS 51 2HD LYS 51 12.296 -14.058 4.911 242 HD3 LYS 51 1HD LYS 51 12.382 -13.530 3.230 243 HE2 LYS 51 2HE LYS 51 13.061 -11.219 4.177 244 HE3 LYS 51 1HE LYS 51 13.369 -12.084 5.695 245 HZ1 LYS 51 3HZ LYS 51 14.409 -13.651 3.650 246 HZ2 LYS 51 1HZ LYS 51 15.274 -12.792 4.830 247 HZ3 LYS 51 2HZ LYS 51 14.929 -12.065 3.335 248 H ALA 52 H ALA 52 7.654 -14.854 6.125 249 HA ALA 52 HA ALA 52 8.468 -17.366 7.097 250 HB1 ALA 52 1HB ALA 52 6.248 -17.290 8.213 251 HB2 ALA 52 2HB ALA 52 5.807 -15.952 7.152 252 HB3 ALA 52 3HB ALA 52 7.105 -15.752 8.330 253 H LYS 53 H LYS 53 5.719 -16.518 5.145 254 HA LYS 53 HA LYS 53 4.757 -19.089 4.550 255 HB2 LYS 53 2HB LYS 53 4.618 -16.348 3.355 256 HB3 LYS 53 1HB LYS 53 3.875 -17.695 2.501 257 HG2 LYS 53 2HG LYS 53 3.271 -17.754 5.345 258 HG3 LYS 53 1HG LYS 53 2.729 -16.256 4.586 259 HD2 LYS 53 2HD LYS 53 2.184 -18.757 3.078 260 HD3 LYS 53 1HD LYS 53 1.258 -18.528 4.562 261 HE2 LYS 53 2HE LYS 53 1.200 -16.016 3.303 262 HE3 LYS 53 1HE LYS 53 0.937 -17.194 2.002 263 HZ1 LYS 53 3HZ LYS 53 -1.118 -16.588 3.248 264 HZ2 LYS 53 1HZ LYS 53 -0.441 -17.301 4.629 265 HZ3 LYS 53 2HZ LYS 53 -0.768 -18.250 3.258 266 H LEU 54 H LEU 54 6.843 -16.995 2.455 267 HA LEU 54 HA LEU 54 7.226 -18.705 0.345 268 HB2 LEU 54 2HB LEU 54 8.993 -16.768 1.770 269 HB3 LEU 54 1HB LEU 54 9.349 -17.422 0.162 270 HG LEU 54 HG LEU 54 6.912 -15.875 1.005 271 HD11 LEU 54 1HD1 LEU 54 8.440 -15.157 -1.383 272 HD12 LEU 54 2HD1 LEU 54 9.347 -15.037 0.126 273 HD13 LEU 54 3HD1 LEU 54 7.844 -14.134 -0.075 274 HD21 LEU 54 3HD2 LEU 54 6.401 -16.204 -1.550 275 HD22 LEU 54 1HD2 LEU 54 5.969 -17.472 -0.402 276 HD23 LEU 54 2HD2 LEU 54 7.432 -17.625 -1.373 277 H ILE 55 H ILE 55 8.591 -18.823 3.536 278 HA ILE 55 HA ILE 55 10.666 -20.675 3.068 279 HB ILE 55 HB ILE 55 9.349 -19.040 5.055 280 HG12 ILE 55 2HG1 ILE 55 11.425 -18.371 5.557 281 HG13 ILE 55 1HG1 ILE 55 12.153 -19.958 5.305 282 HG21 ILE 55 1HG2 ILE 55 10.249 -21.744 5.778 283 HG22 ILE 55 2HG2 ILE 55 8.799 -20.861 6.260 284 HG23 ILE 55 3HG2 ILE 55 10.373 -20.406 6.920 285 HD11 ILE 55 3HD1 ILE 55 12.366 -19.616 3.028 286 HD12 ILE 55 1HD1 ILE 55 12.488 -17.943 3.571 287 HD13 ILE 55 2HD1 ILE 55 10.955 -18.560 2.954 288 H GLY 56 H GLY 56 7.562 -20.931 4.779 289 HA2 GLY 56 2HA GLY 56 6.090 -22.866 4.095 290 HA3 GLY 56 1HA GLY 56 7.556 -23.792 4.205 291 H ILE 57 H ILE 57 6.211 -21.386 6.344 292 HA ILE 57 HA ILE 57 6.875 -22.762 8.700 293 HB ILE 57 HB ILE 57 5.725 -20.793 9.637 294 HG12 ILE 57 2HG1 ILE 57 5.439 -19.628 6.921 295 HG13 ILE 57 1HG1 ILE 57 4.232 -20.838 7.352 296 HG21 ILE 57 1HG2 ILE 57 7.273 -19.467 7.623 297 HG22 ILE 57 2HG2 ILE 57 8.035 -21.003 8.034 298 HG23 ILE 57 3HG2 ILE 57 7.710 -19.817 9.297 299 HD11 ILE 57 3HD1 ILE 57 4.298 -18.118 8.143 300 HD12 ILE 57 1HD1 ILE 57 4.649 -19.069 9.586 301 HD13 ILE 57 2HD1 ILE 57 3.168 -19.363 8.675 302 H ASP 58 H ASP 58 4.101 -21.564 9.269 303 HA ASP 58 HA ASP 58 2.047 -22.492 10.049 304 HB2 ASP 58 2HB ASP 58 1.445 -22.123 7.787 305 HB3 ASP 58 1HB ASP 58 2.499 -23.421 7.210 Start of MODEL 7 1 H SER 24 H SER 24 -8.242 -8.219 -9.250 2 HA SER 24 HA SER 24 -7.293 -7.833 -11.924 3 HB2 SER 24 2HB SER 24 -5.667 -6.048 -11.553 4 HB3 SER 24 1HB SER 24 -7.268 -5.464 -11.104 5 HG SER 24 HG SER 24 -5.542 -5.050 -9.553 6 H LYS 25 H LYS 25 -7.344 -9.991 -10.124 7 HA LYS 25 HA LYS 25 -5.947 -11.670 -9.221 8 HB2 LYS 25 2HB LYS 25 -5.018 -10.982 -11.602 9 HB3 LYS 25 1HB LYS 25 -3.671 -10.341 -10.659 10 HG2 LYS 25 2HG LYS 25 -2.832 -12.417 -10.451 11 HG3 LYS 25 1HG LYS 25 -4.303 -12.921 -9.618 12 HD2 LYS 25 2HD LYS 25 -5.075 -12.804 -12.288 13 HD3 LYS 25 1HD LYS 25 -3.445 -13.475 -12.355 14 HE2 LYS 25 2HE LYS 25 -4.643 -15.433 -11.988 15 HE3 LYS 25 1HE LYS 25 -4.398 -14.937 -10.302 16 HZ1 LYS 25 3HZ LYS 25 -6.482 -13.724 -10.382 17 HZ2 LYS 25 1HZ LYS 25 -6.745 -15.356 -10.763 18 HZ3 LYS 25 2HZ LYS 25 -6.723 -14.189 -11.998 19 H LYS 26 H LYS 26 -3.985 -11.977 -7.787 20 HA LYS 26 HA LYS 26 -3.899 -10.216 -5.623 21 HB2 LYS 26 2HB LYS 26 -2.344 -12.462 -6.717 22 HB3 LYS 26 1HB LYS 26 -1.417 -11.410 -5.645 23 HG2 LYS 26 2HG LYS 26 -4.136 -12.538 -4.931 24 HG3 LYS 26 1HG LYS 26 -2.614 -13.300 -4.469 25 HD2 LYS 26 2HD LYS 26 -2.044 -10.879 -3.567 26 HD3 LYS 26 1HD LYS 26 -3.801 -10.714 -3.529 27 HE2 LYS 26 2HE LYS 26 -4.019 -12.169 -1.776 28 HE3 LYS 26 1HE LYS 26 -2.759 -13.252 -2.400 29 HZ1 LYS 26 3HZ LYS 26 -1.274 -11.155 -1.894 30 HZ2 LYS 26 1HZ LYS 26 -1.612 -12.303 -0.692 31 HZ3 LYS 26 2HZ LYS 26 -2.490 -10.850 -0.747 32 H GLU 27 H GLU 27 -1.670 -9.146 -4.937 33 HA GLU 27 HA GLU 27 -0.169 -7.362 -5.266 34 HB2 GLU 27 2HB GLU 27 0.997 -9.010 -6.563 35 HB3 GLU 27 1HB GLU 27 -0.127 -8.830 -7.908 36 HG2 GLU 27 2HG GLU 27 1.189 -7.223 -8.769 37 HG3 GLU 27 1HG GLU 27 0.913 -6.246 -7.327 38 H LYS 28 H LYS 28 -0.900 -5.294 -5.387 39 HA LYS 28 HA LYS 28 -3.127 -4.320 -6.740 40 HB2 LYS 28 2HB LYS 28 -1.415 -3.344 -4.975 41 HB3 LYS 28 1HB LYS 28 -0.655 -2.644 -6.403 42 HG2 LYS 28 2HG LYS 28 -2.360 -1.155 -5.265 43 HG3 LYS 28 1HG LYS 28 -2.657 -1.442 -6.978 44 HD2 LYS 28 2HD LYS 28 -4.408 -2.974 -6.534 45 HD3 LYS 28 1HD LYS 28 -3.920 -3.172 -4.851 46 HE2 LYS 28 2HE LYS 28 -5.755 -1.713 -4.656 47 HE3 LYS 28 1HE LYS 28 -4.399 -0.570 -4.724 48 HZ1 LYS 28 3HZ LYS 28 -5.646 0.234 -6.438 49 HZ2 LYS 28 1HZ LYS 28 -6.341 -1.271 -6.801 50 HZ3 LYS 28 2HZ LYS 28 -4.750 -0.931 -7.293 51 H LYS 29 H LYS 29 -2.830 -2.446 -8.501 52 HA LYS 29 HA LYS 29 -2.481 -3.400 -11.026 53 HB2 LYS 29 2HB LYS 29 -2.944 -1.000 -9.926 54 HB3 LYS 29 1HB LYS 29 -1.280 -0.729 -10.441 55 HG2 LYS 29 2HG LYS 29 -1.809 -0.817 -12.669 56 HG3 LYS 29 1HG LYS 29 -3.084 -2.010 -12.426 57 HD2 LYS 29 2HD LYS 29 -4.202 0.014 -13.029 58 HD3 LYS 29 1HD LYS 29 -4.417 -0.150 -11.286 59 HE2 LYS 29 2HE LYS 29 -1.946 1.277 -12.010 60 HE3 LYS 29 1HE LYS 29 -3.425 2.110 -12.527 61 HZ1 LYS 29 3HZ LYS 29 -3.495 0.870 -9.897 62 HZ2 LYS 29 1HZ LYS 29 -4.153 2.345 -10.416 63 HZ3 LYS 29 2HZ LYS 29 -2.499 2.239 -10.040 64 H LYS 30 H LYS 30 -0.689 -3.263 -12.603 65 HA LYS 30 HA LYS 30 1.637 -4.602 -12.027 66 HB2 LYS 30 2HB LYS 30 0.707 -2.640 -14.028 67 HB3 LYS 30 1HB LYS 30 2.459 -2.810 -13.931 68 HG2 LYS 30 2HG LYS 30 0.610 -5.195 -14.120 69 HG3 LYS 30 1HG LYS 30 1.272 -4.395 -15.547 70 HD2 LYS 30 2HD LYS 30 3.464 -5.024 -15.050 71 HD3 LYS 30 1HD LYS 30 3.118 -5.241 -13.334 72 HE2 LYS 30 2HE LYS 30 2.208 -7.357 -13.644 73 HE3 LYS 30 1HE LYS 30 1.700 -7.005 -15.308 74 HZ1 LYS 30 3HZ LYS 30 4.556 -6.977 -14.570 75 HZ2 LYS 30 1HZ LYS 30 3.855 -7.189 -16.100 76 HZ3 LYS 30 2HZ LYS 30 3.788 -8.442 -14.954 77 H GLY 31 H GLY 31 2.514 -3.953 -9.956 78 HA2 GLY 31 2HA GLY 31 3.133 -1.378 -9.109 79 HA3 GLY 31 1HA GLY 31 4.049 -2.799 -8.628 80 HA PRO 32 HA PRO 32 6.736 0.026 -11.147 81 HB2 PRO 32 2HB PRO 32 8.787 0.092 -9.373 82 HB3 PRO 32 1HB PRO 32 7.429 1.243 -9.345 83 HG2 PRO 32 2HG PRO 32 7.848 -1.221 -7.745 84 HG3 PRO 32 1HG PRO 32 7.266 0.372 -7.236 85 HD2 PRO 32 2HD PRO 32 5.593 -1.696 -7.644 86 HD3 PRO 32 1HD PRO 32 5.128 -0.017 -8.011 87 H GLU 33 H GLU 33 9.379 -0.557 -11.298 88 HA GLU 33 HA GLU 33 9.383 -3.323 -12.157 89 HB2 GLU 33 2HB GLU 33 10.627 -2.363 -13.801 90 HB3 GLU 33 1HB GLU 33 10.348 -0.842 -12.946 91 HG2 GLU 33 2HG GLU 33 12.364 -1.054 -11.691 92 HG3 GLU 33 1HG GLU 33 12.612 -2.707 -12.249 93 H LYS 34 H LYS 34 9.794 -1.983 -9.450 94 HA LYS 34 HA LYS 34 12.303 -2.880 -8.414 95 HB2 LYS 34 2HB LYS 34 9.833 -1.572 -7.675 96 HB3 LYS 34 1HB LYS 34 10.515 -2.497 -6.379 97 HG2 LYS 34 2HG LYS 34 11.855 -0.315 -7.972 98 HG3 LYS 34 1HG LYS 34 11.428 -0.257 -6.262 99 HD2 LYS 34 2HD LYS 34 13.404 -1.188 -5.717 100 HD3 LYS 34 1HD LYS 34 13.040 -2.585 -6.730 101 HE2 LYS 34 2HE LYS 34 13.805 -1.217 -8.731 102 HE3 LYS 34 1HE LYS 34 14.401 -0.011 -7.574 103 HZ1 LYS 34 3HZ LYS 34 15.060 -2.871 -7.259 104 HZ2 LYS 34 1HZ LYS 34 15.864 -1.521 -6.620 105 HZ3 LYS 34 2HZ LYS 34 15.990 -1.879 -8.276 106 H THR 35 H THR 35 12.739 -4.861 -7.444 107 HA THR 35 HA THR 35 10.711 -6.585 -6.384 108 HB THR 35 HB THR 35 11.977 -7.974 -8.584 109 HG1 THR 35 1HG THR 35 11.773 -6.042 -9.651 110 HG21 THR 35 3HG2 THR 35 9.191 -7.601 -7.529 111 HG22 THR 35 1HG2 THR 35 10.176 -9.065 -7.532 112 HG23 THR 35 2HG2 THR 35 9.482 -8.464 -9.039 113 H ASP 36 H ASP 36 14.012 -6.092 -7.388 114 HA ASP 36 HA ASP 36 14.910 -8.369 -5.688 115 HB2 ASP 36 2HB ASP 36 15.665 -7.338 -8.198 116 HB3 ASP 36 1HB ASP 36 16.984 -6.936 -7.097 117 H GLU 37 H GLU 37 16.233 -5.229 -6.425 118 HA GLU 37 HA GLU 37 17.449 -4.832 -3.889 119 HB2 GLU 37 2HB GLU 37 16.674 -3.179 -6.263 120 HB3 GLU 37 1HB GLU 37 17.261 -2.361 -4.815 121 HG2 GLU 37 2HG GLU 37 19.394 -3.182 -5.051 122 HG3 GLU 37 1HG GLU 37 18.841 -4.698 -5.762 123 H TYR 38 H TYR 38 14.252 -4.667 -4.985 124 HA TYR 38 HA TYR 38 13.223 -2.741 -3.089 125 HB2 TYR 38 2HB TYR 38 11.508 -2.829 -4.555 126 HB3 TYR 38 1HB TYR 38 12.527 -3.891 -5.510 127 HD1 TYR 38 2HD TYR 38 12.551 -6.429 -4.217 128 HD2 TYR 38 1HD TYR 38 9.364 -3.575 -4.493 129 HE1 TYR 38 2HE TYR 38 10.885 -8.248 -3.894 130 HE2 TYR 38 1HE TYR 38 7.695 -5.383 -4.177 131 HH TYR 38 HH TYR 38 7.397 -7.608 -4.090 132 H LEU 39 H LEU 39 13.948 -6.119 -3.013 133 HA LEU 39 HA LEU 39 12.171 -7.256 -1.233 134 HB2 LEU 39 2HB LEU 39 15.011 -7.463 -1.934 135 HB3 LEU 39 1HB LEU 39 14.654 -8.042 -0.311 136 HG LEU 39 HG LEU 39 14.371 -9.922 -1.723 137 HD11 LEU 39 1HD1 LEU 39 11.523 -9.165 -1.774 138 HD12 LEU 39 2HD1 LEU 39 12.313 -9.010 -0.205 139 HD13 LEU 39 3HD1 LEU 39 12.302 -10.566 -1.038 140 HD21 LEU 39 3HD2 LEU 39 14.340 -8.670 -3.846 141 HD22 LEU 39 1HD2 LEU 39 12.696 -8.140 -3.497 142 HD23 LEU 39 2HD2 LEU 39 13.028 -9.847 -3.782 143 H LEU 40 H LEU 40 15.126 -5.476 -0.302 144 HA LEU 40 HA LEU 40 14.579 -5.350 2.476 145 HB2 LEU 40 2HB LEU 40 16.263 -3.869 0.479 146 HB3 LEU 40 1HB LEU 40 16.235 -3.345 2.163 147 HG LEU 40 HG LEU 40 18.037 -5.063 1.466 148 HD11 LEU 40 1HD1 LEU 40 16.206 -5.109 3.822 149 HD12 LEU 40 2HD1 LEU 40 17.936 -4.776 3.754 150 HD13 LEU 40 3HD1 LEU 40 17.354 -6.438 3.662 151 HD21 LEU 40 3HD2 LEU 40 15.591 -6.850 1.642 152 HD22 LEU 40 1HD2 LEU 40 17.257 -7.425 1.589 153 HD23 LEU 40 2HD2 LEU 40 16.574 -6.574 0.204 154 H ALA 41 H ALA 41 13.762 -3.151 -0.189 155 HA ALA 41 HA ALA 41 12.856 -0.905 1.147 156 HB1 ALA 41 1HB ALA 41 11.392 -2.362 -1.076 157 HB2 ALA 41 2HB ALA 41 12.866 -1.426 -1.332 158 HB3 ALA 41 3HB ALA 41 11.396 -0.623 -0.777 159 H ARG 42 H ARG 42 11.234 -4.029 0.785 160 HA ARG 42 HA ARG 42 8.946 -3.208 2.356 161 HB2 ARG 42 2HB ARG 42 9.802 -5.544 0.717 162 HB3 ARG 42 1HB ARG 42 8.457 -5.741 1.839 163 HG2 ARG 42 2HG ARG 42 7.666 -3.456 0.703 164 HG3 ARG 42 1HG ARG 42 8.637 -4.074 -0.632 165 HD2 ARG 42 2HD ARG 42 7.242 -5.897 -0.983 166 HD3 ARG 42 1HD ARG 42 6.699 -5.936 0.706 167 HE ARG 42 HE ARG 42 5.738 -3.525 -0.078 168 HH11 ARG 42 1HH1 ARG 42 4.363 -6.401 -0.146 169 HH12 ARG 42 2HH1 ARG 42 3.483 -6.233 -1.629 170 HH21 ARG 42 1HH2 ARG 42 5.192 -3.384 -2.625 171 HH22 ARG 42 2HH2 ARG 42 3.954 -4.525 -3.034 172 H PHE 43 H PHE 43 11.954 -4.776 2.887 173 HA PHE 43 HA PHE 43 11.585 -6.670 4.844 174 HB2 PHE 43 2HB PHE 43 13.586 -4.625 4.146 175 HB3 PHE 43 1HB PHE 43 13.698 -5.213 5.794 176 HD1 PHE 43 1HD PHE 43 12.488 -7.098 2.829 177 HD2 PHE 43 2HD PHE 43 15.658 -6.565 5.678 178 HE1 PHE 43 1HE PHE 43 13.580 -9.165 2.000 179 HE2 PHE 43 2HE PHE 43 16.750 -8.633 4.850 180 HZ PHE 43 HZ PHE 43 15.711 -9.932 3.011 181 H LYS 44 H LYS 44 11.527 -3.125 5.370 182 HA LYS 44 HA LYS 44 11.150 -3.300 8.158 183 HB2 LYS 44 2HB LYS 44 10.978 -1.218 6.042 184 HB3 LYS 44 1HB LYS 44 10.496 -0.825 7.697 185 HG2 LYS 44 2HG LYS 44 12.883 -0.341 7.316 186 HG3 LYS 44 1HG LYS 44 12.658 -1.603 8.526 187 HD2 LYS 44 2HD LYS 44 13.240 -3.320 6.996 188 HD3 LYS 44 1HD LYS 44 13.127 -2.225 5.616 189 HE2 LYS 44 2HE LYS 44 15.090 -1.661 7.837 190 HE3 LYS 44 1HE LYS 44 15.508 -2.777 6.521 191 HZ1 LYS 44 3HZ LYS 44 14.199 -0.303 5.736 192 HZ2 LYS 44 1HZ LYS 44 15.471 -1.138 4.988 193 HZ3 LYS 44 2HZ LYS 44 15.784 -0.135 6.323 194 H GLY 45 H GLY 45 9.073 -4.453 6.120 195 HA2 GLY 45 2HA GLY 45 6.767 -3.954 7.831 196 HA3 GLY 45 1HA GLY 45 6.607 -3.269 6.225 197 H ASP 46 H ASP 46 6.229 -4.611 4.508 198 HA ASP 46 HA ASP 46 5.077 -7.187 5.081 199 HB2 ASP 46 2HB ASP 46 5.831 -6.075 2.382 200 HB3 ASP 46 1HB ASP 46 4.459 -7.094 2.805 201 H GLY 47 H GLY 47 8.000 -7.127 5.692 202 HA2 GLY 47 2HA GLY 47 9.202 -8.696 3.511 203 HA3 GLY 47 1HA GLY 47 10.016 -8.192 4.993 204 H VAL 48 H VAL 48 8.447 -9.042 6.881 205 HA VAL 48 HA VAL 48 9.046 -11.744 7.293 206 HB VAL 48 HB VAL 48 8.642 -10.539 9.238 207 HG11 VAL 48 1HG1 VAL 48 7.852 -8.463 8.717 208 HG12 VAL 48 2HG1 VAL 48 6.329 -9.164 9.263 209 HG13 VAL 48 3HG1 VAL 48 6.697 -9.087 7.541 210 HG21 VAL 48 3HG2 VAL 48 6.944 -12.510 8.928 211 HG22 VAL 48 1HG2 VAL 48 5.770 -11.195 8.882 212 HG23 VAL 48 2HG2 VAL 48 6.803 -11.404 10.298 213 H LYS 49 H LYS 49 5.957 -10.248 6.319 214 HA LYS 49 HA LYS 49 4.212 -12.337 6.339 215 HB2 LYS 49 2HB LYS 49 3.325 -11.202 4.208 216 HB3 LYS 49 1HB LYS 49 3.509 -10.213 5.653 217 HG2 LYS 49 2HG LYS 49 4.891 -8.854 4.553 218 HG3 LYS 49 1HG LYS 49 5.991 -10.185 4.241 219 HD2 LYS 49 2HD LYS 49 5.187 -9.077 2.148 220 HD3 LYS 49 1HD LYS 49 4.748 -10.783 2.226 221 HE2 LYS 49 2HE LYS 49 2.594 -9.598 3.472 222 HE3 LYS 49 1HE LYS 49 3.004 -8.409 2.219 223 HZ1 LYS 49 3HZ LYS 49 3.345 -10.644 0.855 224 HZ2 LYS 49 1HZ LYS 49 1.848 -9.848 0.926 225 HZ3 LYS 49 2HZ LYS 49 2.148 -11.183 1.932 226 H TYR 50 H TYR 50 6.199 -11.704 3.365 227 HA TYR 50 HA TYR 50 5.494 -14.319 2.377 228 HB2 TYR 50 2HB TYR 50 6.843 -13.565 0.481 229 HB3 TYR 50 1HB TYR 50 5.664 -12.358 0.976 230 HD1 TYR 50 2HD TYR 50 9.202 -13.363 1.670 231 HD2 TYR 50 1HD TYR 50 6.359 -10.188 1.223 232 HE1 TYR 50 2HE TYR 50 11.032 -11.698 1.898 233 HE2 TYR 50 1HE TYR 50 8.183 -8.515 1.441 234 HH TYR 50 HH TYR 50 11.162 -9.199 2.659 235 H LYS 51 H LYS 51 8.405 -12.868 3.865 236 HA LYS 51 HA LYS 51 10.220 -14.950 3.333 237 HB2 LYS 51 2HB LYS 51 9.849 -12.759 5.221 238 HB3 LYS 51 1HB LYS 51 10.723 -14.112 5.935 239 HG2 LYS 51 2HG LYS 51 11.505 -13.268 3.187 240 HG3 LYS 51 1HG LYS 51 11.981 -12.222 4.526 241 HD2 LYS 51 2HD LYS 51 12.439 -15.064 5.080 242 HD3 LYS 51 1HD LYS 51 13.354 -14.480 3.690 243 HE2 LYS 51 2HE LYS 51 13.719 -12.422 5.477 244 HE3 LYS 51 1HE LYS 51 13.692 -13.837 6.549 245 HZ1 LYS 51 3HZ LYS 51 15.218 -14.941 4.964 246 HZ2 LYS 51 1HZ LYS 51 15.906 -13.582 5.711 247 HZ3 LYS 51 2HZ LYS 51 15.349 -13.480 4.108 248 H ALA 52 H ALA 52 7.911 -14.583 5.899 249 HA ALA 52 HA ALA 52 8.362 -16.997 7.284 250 HB1 ALA 52 1HB ALA 52 7.148 -15.366 8.420 251 HB2 ALA 52 2HB ALA 52 5.865 -16.468 7.919 252 HB3 ALA 52 3HB ALA 52 6.173 -14.995 6.999 253 H LYS 53 H LYS 53 5.870 -16.132 5.028 254 HA LYS 53 HA LYS 53 4.650 -18.679 4.781 255 HB2 LYS 53 2HB LYS 53 4.703 -16.094 3.262 256 HB3 LYS 53 1HB LYS 53 3.778 -17.461 2.653 257 HG2 LYS 53 2HG LYS 53 3.314 -17.138 5.480 258 HG3 LYS 53 1HG LYS 53 2.985 -15.626 4.634 259 HD2 LYS 53 2HD LYS 53 0.931 -16.775 4.493 260 HD3 LYS 53 1HD LYS 53 1.692 -17.116 2.939 261 HE2 LYS 53 2HE LYS 53 2.651 -19.235 4.057 262 HE3 LYS 53 1HE LYS 53 1.465 -18.939 5.344 263 HZ1 LYS 53 3HZ LYS 53 0.958 -20.159 2.944 264 HZ2 LYS 53 1HZ LYS 53 0.342 -18.593 2.736 265 HZ3 LYS 53 2HZ LYS 53 -0.204 -19.554 4.026 266 H LEU 54 H LEU 54 6.883 -16.994 2.487 267 HA LEU 54 HA LEU 54 7.008 -18.863 0.490 268 HB2 LEU 54 2HB LEU 54 9.009 -17.051 1.758 269 HB3 LEU 54 1HB LEU 54 9.277 -17.859 0.203 270 HG LEU 54 HG LEU 54 6.986 -16.037 0.919 271 HD11 LEU 54 1HD1 LEU 54 8.047 -14.974 -1.252 272 HD12 LEU 54 2HD1 LEU 54 9.480 -15.825 -0.669 273 HD13 LEU 54 3HD1 LEU 54 8.687 -14.625 0.353 274 HD21 LEU 54 3HD2 LEU 54 6.595 -16.473 -1.672 275 HD22 LEU 54 1HD2 LEU 54 5.913 -17.544 -0.449 276 HD23 LEU 54 2HD2 LEU 54 7.395 -17.997 -1.290 277 H ILE 55 H ILE 55 8.243 -19.095 3.698 278 HA ILE 55 HA ILE 55 10.191 -21.102 3.308 279 HB ILE 55 HB ILE 55 8.884 -19.415 5.254 280 HG12 ILE 55 2HG1 ILE 55 10.969 -18.955 5.933 281 HG13 ILE 55 1HG1 ILE 55 11.583 -20.583 5.640 282 HG21 ILE 55 1HG2 ILE 55 9.696 -20.940 7.124 283 HG22 ILE 55 2HG2 ILE 55 9.454 -22.212 5.922 284 HG23 ILE 55 3HG2 ILE 55 8.109 -21.172 6.395 285 HD11 ILE 55 3HD1 ILE 55 10.665 -18.875 3.345 286 HD12 ILE 55 1HD1 ILE 55 11.855 -20.175 3.352 287 HD13 ILE 55 2HD1 ILE 55 12.264 -18.603 4.039 288 H GLY 56 H GLY 56 6.958 -21.123 4.796 289 HA2 GLY 56 2HA GLY 56 5.257 -22.745 4.560 290 HA3 GLY 56 1HA GLY 56 6.376 -23.684 3.624 291 H ILE 57 H ILE 57 6.462 -22.483 6.919 292 HA ILE 57 HA ILE 57 7.721 -24.749 7.984 293 HB ILE 57 HB ILE 57 7.249 -23.484 10.055 294 HG12 ILE 57 2HG1 ILE 57 6.234 -21.169 8.549 295 HG13 ILE 57 1HG1 ILE 57 5.087 -22.506 8.631 296 HG21 ILE 57 1HG2 ILE 57 8.859 -22.895 7.867 297 HG22 ILE 57 2HG2 ILE 57 9.054 -22.276 9.507 298 HG23 ILE 57 3HG2 ILE 57 8.138 -21.351 8.317 299 HD11 ILE 57 3HD1 ILE 57 4.621 -21.267 10.583 300 HD12 ILE 57 1HD1 ILE 57 6.327 -20.951 10.896 301 HD13 ILE 57 2HD1 ILE 57 5.666 -22.565 11.162 302 H ASP 58 H ASP 58 5.518 -24.061 10.031 303 HA ASP 58 HA ASP 58 4.253 -26.449 10.458 304 HB2 ASP 58 2HB ASP 58 3.895 -24.619 11.946 305 HB3 ASP 58 1HB ASP 58 3.228 -23.609 10.655 Start of MODEL 8 1 H SER 24 H SER 24 -12.923 4.736 1.083 2 HA SER 24 HA SER 24 -12.186 7.502 1.086 3 HB2 SER 24 2HB SER 24 -13.666 7.522 3.077 4 HB3 SER 24 1HB SER 24 -12.684 6.258 3.812 5 HG SER 24 HG SER 24 -11.229 7.698 4.303 6 H LYS 25 H LYS 25 -10.269 6.787 0.110 7 HA LYS 25 HA LYS 25 -8.728 4.541 0.931 8 HB2 LYS 25 2HB LYS 25 -7.028 5.594 -0.543 9 HB3 LYS 25 1HB LYS 25 -8.630 5.610 -1.281 10 HG2 LYS 25 2HG LYS 25 -8.897 7.897 -0.985 11 HG3 LYS 25 1HG LYS 25 -7.795 7.952 0.392 12 HD2 LYS 25 2HD LYS 25 -6.199 8.667 -1.033 13 HD3 LYS 25 1HD LYS 25 -6.218 7.053 -1.743 14 HE2 LYS 25 2HE LYS 25 -7.529 7.711 -3.544 15 HE3 LYS 25 1HE LYS 25 -8.311 9.015 -2.628 16 HZ1 LYS 25 3HZ LYS 25 -6.600 9.794 -4.245 17 HZ2 LYS 25 1HZ LYS 25 -5.425 8.993 -3.321 18 HZ3 LYS 25 2HZ LYS 25 -6.310 10.275 -2.641 19 H LYS 26 H LYS 26 -9.149 7.567 2.433 20 HA LYS 26 HA LYS 26 -6.666 8.306 3.440 21 HB2 LYS 26 2HB LYS 26 -9.495 8.390 4.360 22 HB3 LYS 26 1HB LYS 26 -8.260 8.771 5.561 23 HG2 LYS 26 2HG LYS 26 -8.523 10.088 2.842 24 HG3 LYS 26 1HG LYS 26 -9.017 10.807 4.374 25 HD2 LYS 26 2HD LYS 26 -6.278 9.809 4.476 26 HD3 LYS 26 1HD LYS 26 -6.495 11.014 3.205 27 HE2 LYS 26 2HE LYS 26 -7.522 11.455 6.024 28 HE3 LYS 26 1HE LYS 26 -5.897 11.954 5.511 29 HZ1 LYS 26 3HZ LYS 26 -8.021 13.495 5.163 30 HZ2 LYS 26 1HZ LYS 26 -8.106 12.605 3.722 31 HZ3 LYS 26 2HZ LYS 26 -6.707 13.496 4.085 32 H GLU 27 H GLU 27 -6.226 8.000 6.001 33 HA GLU 27 HA GLU 27 -5.028 5.580 6.488 34 HB2 GLU 27 2HB GLU 27 -5.048 6.247 8.790 35 HB3 GLU 27 1HB GLU 27 -5.073 7.739 7.850 36 HG2 GLU 27 2HG GLU 27 -7.569 6.385 8.910 37 HG3 GLU 27 1HG GLU 27 -6.732 7.690 9.751 38 H LYS 28 H LYS 28 -5.663 3.539 7.220 39 HA LYS 28 HA LYS 28 -8.264 2.578 6.717 40 HB2 LYS 28 2HB LYS 28 -7.379 0.555 7.695 41 HB3 LYS 28 1HB LYS 28 -6.054 1.362 6.855 42 HG2 LYS 28 2HG LYS 28 -6.265 2.331 9.579 43 HG3 LYS 28 1HG LYS 28 -6.105 0.575 9.558 44 HD2 LYS 28 2HD LYS 28 -3.926 0.744 9.033 45 HD3 LYS 28 1HD LYS 28 -4.315 1.718 7.614 46 HE2 LYS 28 2HE LYS 28 -3.157 3.345 8.756 47 HE3 LYS 28 1HE LYS 28 -4.694 3.549 9.619 48 HZ1 LYS 28 3HZ LYS 28 -2.793 1.449 10.436 49 HZ2 LYS 28 1HZ LYS 28 -4.008 2.200 11.349 50 HZ3 LYS 28 2HZ LYS 28 -2.579 3.044 10.981 51 H LYS 29 H LYS 29 -9.070 1.112 8.911 52 HA LYS 29 HA LYS 29 -10.750 2.705 10.399 53 HB2 LYS 29 2HB LYS 29 -9.735 0.047 10.408 54 HB3 LYS 29 1HB LYS 29 -9.714 0.621 12.075 55 HG2 LYS 29 2HG LYS 29 -11.942 0.350 12.205 56 HG3 LYS 29 1HG LYS 29 -12.162 1.479 10.868 57 HD2 LYS 29 2HD LYS 29 -11.260 -1.268 10.158 58 HD3 LYS 29 1HD LYS 29 -12.926 -1.100 10.715 59 HE2 LYS 29 2HE LYS 29 -13.462 0.446 8.966 60 HE3 LYS 29 1HE LYS 29 -11.752 0.663 8.544 61 HZ1 LYS 29 3HZ LYS 29 -13.493 -1.663 8.086 62 HZ2 LYS 29 1HZ LYS 29 -11.829 -1.910 8.304 63 HZ3 LYS 29 2HZ LYS 29 -12.380 -0.930 7.031 64 H LYS 30 H LYS 30 -10.536 3.066 12.900 65 HA LYS 30 HA LYS 30 -8.688 5.034 13.526 66 HB2 LYS 30 2HB LYS 30 -10.321 3.024 15.007 67 HB3 LYS 30 1HB LYS 30 -9.116 3.917 15.935 68 HG2 LYS 30 2HG LYS 30 -10.211 5.922 15.687 69 HG3 LYS 30 1HG LYS 30 -10.826 5.505 14.087 70 HD2 LYS 30 2HD LYS 30 -12.717 4.542 14.922 71 HD3 LYS 30 1HD LYS 30 -11.873 3.851 16.309 72 HE2 LYS 30 2HE LYS 30 -12.099 6.820 16.282 73 HE3 LYS 30 1HE LYS 30 -13.602 5.917 16.561 74 HZ1 LYS 30 3HZ LYS 30 -12.364 6.279 18.632 75 HZ2 LYS 30 1HZ LYS 30 -11.035 5.445 17.986 76 HZ3 LYS 30 2HZ LYS 30 -12.498 4.626 18.260 77 H GLY 31 H GLY 31 -6.875 4.730 15.295 78 HA2 GLY 31 2HA GLY 31 -5.507 2.289 15.561 79 HA3 GLY 31 1HA GLY 31 -4.787 3.198 14.241 80 HA PRO 32 HA PRO 32 -3.032 4.549 18.349 81 HB2 PRO 32 2HB PRO 32 -0.439 3.980 17.795 82 HB3 PRO 32 1HB PRO 32 -1.558 2.818 18.546 83 HG2 PRO 32 2HG PRO 32 -0.730 3.080 15.712 84 HG3 PRO 32 1HG PRO 32 -0.929 1.627 16.703 85 HD2 PRO 32 2HD PRO 32 -2.776 2.414 14.898 86 HD3 PRO 32 1HD PRO 32 -3.211 1.579 16.409 87 H GLU 33 H GLU 33 -1.504 6.416 18.615 88 HA GLU 33 HA GLU 33 -1.490 8.101 16.242 89 HB2 GLU 33 2HB GLU 33 -2.166 9.595 17.823 90 HB3 GLU 33 1HB GLU 33 -2.055 8.258 18.972 91 HG2 GLU 33 2HG GLU 33 0.272 8.769 19.429 92 HG3 GLU 33 1HG GLU 33 0.250 10.062 18.230 93 H LYS 34 H LYS 34 0.348 5.942 17.236 94 HA LYS 34 HA LYS 34 2.940 6.895 17.771 95 HB2 LYS 34 2HB LYS 34 1.470 4.527 17.186 96 HB3 LYS 34 1HB LYS 34 2.962 4.504 16.279 97 HG2 LYS 34 2HG LYS 34 3.038 5.338 19.144 98 HG3 LYS 34 1HG LYS 34 2.857 3.622 18.782 99 HD2 LYS 34 2HD LYS 34 4.913 3.604 17.513 100 HD3 LYS 34 1HD LYS 34 5.050 5.360 17.618 101 HE2 LYS 34 2HE LYS 34 4.912 3.716 20.143 102 HE3 LYS 34 1HE LYS 34 6.454 3.916 19.287 103 HZ1 LYS 34 3HZ LYS 34 6.526 5.851 20.416 104 HZ2 LYS 34 1HZ LYS 34 4.852 5.892 20.688 105 HZ3 LYS 34 2HZ LYS 34 5.482 6.400 19.194 106 H THR 35 H THR 35 4.781 7.013 16.233 107 HA THR 35 HA THR 35 4.302 6.916 13.396 108 HB THR 35 HB THR 35 5.088 9.602 14.061 109 HG1 THR 35 1HG THR 35 3.313 10.246 15.108 110 HG21 THR 35 3HG2 THR 35 3.794 10.131 12.236 111 HG22 THR 35 1HG2 THR 35 2.549 8.955 12.657 112 HG23 THR 35 2HG2 THR 35 4.054 8.417 11.912 113 H ASP 36 H ASP 36 6.434 7.690 16.050 114 HA ASP 36 HA ASP 36 8.770 7.777 14.211 115 HB2 ASP 36 2HB ASP 36 8.064 8.759 16.903 116 HB3 ASP 36 1HB ASP 36 9.729 8.202 16.724 117 H GLU 37 H GLU 37 8.323 6.465 17.410 118 HA GLU 37 HA GLU 37 10.164 4.325 17.088 119 HB2 GLU 37 2HB GLU 37 8.057 5.193 18.988 120 HB3 GLU 37 1HB GLU 37 8.511 3.491 19.069 121 HG2 GLU 37 2HG GLU 37 10.934 4.263 19.173 122 HG3 GLU 37 1HG GLU 37 10.314 5.899 19.402 123 H TYR 38 H TYR 38 7.013 4.838 15.979 124 HA TYR 38 HA TYR 38 6.173 2.081 15.769 125 HB2 TYR 38 2HB TYR 38 4.190 3.112 15.456 126 HB3 TYR 38 1HB TYR 38 5.051 4.594 15.835 127 HD1 TYR 38 2HD TYR 38 6.624 5.233 13.529 128 HD2 TYR 38 1HD TYR 38 2.728 3.463 13.743 129 HE1 TYR 38 2HE TYR 38 6.114 6.077 11.255 130 HE2 TYR 38 1HE TYR 38 2.203 4.309 11.472 131 HH TYR 38 HH TYR 38 3.464 5.003 9.437 132 H LEU 39 H LEU 39 8.118 4.205 13.867 133 HA LEU 39 HA LEU 39 7.805 3.427 11.243 134 HB2 LEU 39 2HB LEU 39 9.934 4.319 13.030 135 HB3 LEU 39 1HB LEU 39 10.546 3.355 11.691 136 HG LEU 39 HG LEU 39 10.524 5.581 10.891 137 HD11 LEU 39 1HD1 LEU 39 9.472 5.127 8.953 138 HD12 LEU 39 2HD1 LEU 39 7.896 5.079 9.744 139 HD13 LEU 39 3HD1 LEU 39 8.918 3.641 9.724 140 HD21 LEU 39 3HD2 LEU 39 7.788 5.728 12.154 141 HD22 LEU 39 1HD2 LEU 39 8.411 6.968 11.067 142 HD23 LEU 39 2HD2 LEU 39 9.224 6.650 12.600 143 H LEU 40 H LEU 40 9.924 1.777 13.602 144 HA LEU 40 HA LEU 40 10.486 -0.490 11.995 145 HB2 LEU 40 2HB LEU 40 10.543 0.228 14.910 146 HB3 LEU 40 1HB LEU 40 10.954 -1.411 14.403 147 HG LEU 40 HG LEU 40 12.878 0.300 14.583 148 HD11 LEU 40 1HD1 LEU 40 12.253 -1.599 12.374 149 HD12 LEU 40 2HD1 LEU 40 13.574 -1.633 13.543 150 HD13 LEU 40 3HD1 LEU 40 13.655 -0.552 12.151 151 HD21 LEU 40 3HD2 LEU 40 11.583 1.181 11.985 152 HD22 LEU 40 1HD2 LEU 40 13.201 1.652 12.511 153 HD23 LEU 40 2HD2 LEU 40 11.789 2.164 13.436 154 H ALA 41 H ALA 41 7.906 0.148 14.354 155 HA ALA 41 HA ALA 41 6.778 -2.369 14.651 156 HB1 ALA 41 1HB ALA 41 4.866 -1.176 15.301 157 HB2 ALA 41 2HB ALA 41 5.060 0.013 14.013 158 HB3 ALA 41 3HB ALA 41 6.109 0.069 15.429 159 H ARG 42 H ARG 42 6.582 -0.157 11.906 160 HA ARG 42 HA ARG 42 4.886 -1.922 10.370 161 HB2 ARG 42 2HB ARG 42 6.132 0.785 10.002 162 HB3 ARG 42 1HB ARG 42 5.191 0.012 8.725 163 HG2 ARG 42 2HG ARG 42 3.520 -0.301 10.866 164 HG3 ARG 42 1HG ARG 42 4.282 1.241 11.255 165 HD2 ARG 42 2HD ARG 42 2.906 2.248 9.764 166 HD3 ARG 42 1HD ARG 42 3.652 1.292 8.469 167 HE ARG 42 HE ARG 42 1.048 0.812 9.448 168 HH11 ARG 42 1HH2 ARG 42 3.488 -0.659 7.737 169 HH12 ARG 42 2HH2 ARG 42 2.991 -2.288 8.054 170 HH21 ARG 42 1HH1 ARG 42 0.619 -1.384 10.418 171 HH22 ARG 42 2HH1 ARG 42 1.362 -2.698 9.569 172 H PHE 43 H PHE 43 8.250 -1.273 10.719 173 HA PHE 43 HA PHE 43 9.432 -1.689 8.269 174 HB2 PHE 43 2HB PHE 43 10.008 -2.304 11.096 175 HB3 PHE 43 1HB PHE 43 10.946 -3.233 9.940 176 HD1 PHE 43 2HD PHE 43 9.628 0.161 9.319 177 HD2 PHE 43 1HD PHE 43 13.082 -2.184 10.328 178 HE1 PHE 43 2HE PHE 43 11.082 2.134 8.930 179 HE2 PHE 43 1HE PHE 43 14.535 -0.213 9.942 180 HZ PHE 43 HZ PHE 43 13.536 1.946 9.242 181 H LYS 44 H LYS 44 8.154 -4.252 10.416 182 HA LYS 44 HA LYS 44 8.836 -6.370 8.674 183 HB2 LYS 44 2HB LYS 44 7.210 -5.967 11.133 184 HB3 LYS 44 1HB LYS 44 7.198 -7.538 10.326 185 HG2 LYS 44 2HG LYS 44 8.964 -7.409 12.052 186 HG3 LYS 44 1HG LYS 44 9.634 -7.635 10.437 187 HD2 LYS 44 2HD LYS 44 10.260 -5.346 10.270 188 HD3 LYS 44 1HD LYS 44 9.321 -4.914 11.699 189 HE2 LYS 44 2HE LYS 44 11.807 -6.663 11.653 190 HE3 LYS 44 1HE LYS 44 11.674 -5.031 12.339 191 HZ1 LYS 44 3HZ LYS 44 11.196 -6.244 14.190 192 HZ2 LYS 44 1HZ LYS 44 10.558 -7.553 13.320 193 HZ3 LYS 44 2HZ LYS 44 9.629 -6.148 13.540 194 H GLY 45 H GLY 45 6.844 -4.115 7.905 195 HA2 GLY 45 2HA GLY 45 4.291 -5.120 7.383 196 HA3 GLY 45 1HA GLY 45 5.086 -3.923 6.379 197 H ASP 46 H ASP 46 6.432 -4.695 4.678 198 HA ASP 46 HA ASP 46 5.472 -7.260 3.541 199 HB2 ASP 46 2HB ASP 46 7.028 -5.760 1.675 200 HB3 ASP 46 1HB ASP 46 5.290 -6.047 1.669 201 H GLY 47 H GLY 47 7.106 -8.059 5.278 202 HA2 GLY 47 2HA GLY 47 9.612 -8.709 3.836 203 HA3 GLY 47 1HA GLY 47 9.753 -8.032 5.461 204 H VAL 48 H VAL 48 8.367 -9.131 7.076 205 HA VAL 48 HA VAL 48 9.059 -11.867 7.346 206 HB VAL 48 HB VAL 48 8.842 -10.694 9.347 207 HG11 VAL 48 1HG1 VAL 48 6.716 -9.251 7.893 208 HG12 VAL 48 2HG1 VAL 48 7.924 -8.642 9.020 209 HG13 VAL 48 3HG1 VAL 48 6.467 -9.432 9.626 210 HG21 VAL 48 3HG2 VAL 48 7.007 -11.536 10.546 211 HG22 VAL 48 1HG2 VAL 48 7.320 -12.731 9.288 212 HG23 VAL 48 2HG2 VAL 48 5.994 -11.581 9.101 213 H LYS 49 H LYS 49 5.890 -10.322 6.716 214 HA LYS 49 HA LYS 49 4.161 -12.409 6.839 215 HB2 LYS 49 2HB LYS 49 3.051 -11.234 4.862 216 HB3 LYS 49 1HB LYS 49 3.431 -10.245 6.266 217 HG2 LYS 49 2HG LYS 49 4.596 -8.882 4.928 218 HG3 LYS 49 1HG LYS 49 5.734 -10.188 4.640 219 HD2 LYS 49 2HD LYS 49 4.701 -9.197 2.550 220 HD3 LYS 49 1HD LYS 49 4.491 -10.942 2.714 221 HE2 LYS 49 2HE LYS 49 2.211 -10.742 3.267 222 HE3 LYS 49 1HE LYS 49 2.386 -9.046 3.764 223 HZ1 LYS 49 3HZ LYS 49 1.414 -9.462 1.467 224 HZ2 LYS 49 1HZ LYS 49 2.975 -9.940 1.004 225 HZ3 LYS 49 2HZ LYS 49 2.704 -8.358 1.563 226 H TYR 50 H TYR 50 5.868 -11.708 3.715 227 HA TYR 50 HA TYR 50 5.095 -14.309 2.733 228 HB2 TYR 50 2HB TYR 50 6.289 -13.512 0.755 229 HB3 TYR 50 1HB TYR 50 5.172 -12.300 1.370 230 HD1 TYR 50 2HD TYR 50 8.730 -13.380 1.840 231 HD2 TYR 50 1HD TYR 50 5.926 -10.154 1.557 232 HE1 TYR 50 2HE TYR 50 10.601 -11.752 1.996 233 HE2 TYR 50 1HE TYR 50 7.783 -8.520 1.704 234 HH TYR 50 HH TYR 50 10.363 -8.611 1.122 235 H LYS 51 H LYS 51 8.003 -12.892 4.181 236 HA LYS 51 HA LYS 51 9.928 -14.783 3.452 237 HB2 LYS 51 2HB LYS 51 9.391 -12.875 5.583 238 HB3 LYS 51 1HB LYS 51 10.376 -14.232 6.120 239 HG2 LYS 51 2HG LYS 51 11.000 -12.861 3.527 240 HG3 LYS 51 1HG LYS 51 11.566 -12.175 5.050 241 HD2 LYS 51 2HD LYS 51 13.342 -13.569 4.600 242 HD3 LYS 51 1HD LYS 51 12.313 -14.688 5.490 243 HE2 LYS 51 2HE LYS 51 13.271 -15.569 3.276 244 HE3 LYS 51 1HE LYS 51 11.513 -15.699 3.450 245 HZ1 LYS 51 3HZ LYS 51 12.606 -14.540 1.362 246 HZ2 LYS 51 1HZ LYS 51 12.598 -13.197 2.396 247 HZ3 LYS 51 2HZ LYS 51 11.141 -13.987 2.021 248 H ALA 52 H ALA 52 7.821 -14.820 6.220 249 HA ALA 52 HA ALA 52 8.350 -17.362 7.242 250 HB1 ALA 52 1HB ALA 52 7.019 -16.094 8.622 251 HB2 ALA 52 2HB ALA 52 5.746 -17.017 7.823 252 HB3 ALA 52 3HB ALA 52 6.143 -15.393 7.262 253 H LYS 53 H LYS 53 5.758 -16.413 5.123 254 HA LYS 53 HA LYS 53 4.704 -18.979 4.582 255 HB2 LYS 53 2HB LYS 53 4.641 -16.255 3.320 256 HB3 LYS 53 1HB LYS 53 3.807 -17.601 2.555 257 HG2 LYS 53 2HG LYS 53 3.039 -17.868 5.183 258 HG3 LYS 53 1HG LYS 53 3.110 -16.116 4.986 259 HD2 LYS 53 2HD LYS 53 1.845 -16.709 2.703 260 HD3 LYS 53 1HD LYS 53 1.325 -18.101 3.653 261 HE2 LYS 53 2HE LYS 53 0.634 -16.463 5.478 262 HE3 LYS 53 1HE LYS 53 0.898 -15.169 4.293 263 HZ1 LYS 53 3HZ LYS 53 -0.921 -17.501 4.024 264 HZ2 LYS 53 1HZ LYS 53 -0.538 -16.454 2.745 265 HZ3 LYS 53 2HZ LYS 53 -1.362 -15.862 4.107 266 H LEU 54 H LEU 54 6.809 -16.947 2.431 267 HA LEU 54 HA LEU 54 7.129 -18.698 0.344 268 HB2 LEU 54 2HB LEU 54 8.947 -16.782 1.735 269 HB3 LEU 54 1HB LEU 54 9.302 -17.483 0.147 270 HG LEU 54 HG LEU 54 6.850 -15.911 0.914 271 HD11 LEU 54 1HD1 LEU 54 9.078 -14.773 0.431 272 HD12 LEU 54 2HD1 LEU 54 7.682 -14.240 -0.509 273 HD13 LEU 54 3HD1 LEU 54 8.866 -15.335 -1.226 274 HD21 LEU 54 3HD2 LEU 54 7.433 -17.769 -1.321 275 HD22 LEU 54 1HD2 LEU 54 6.641 -16.254 -1.757 276 HD23 LEU 54 2HD2 LEU 54 5.889 -17.339 -0.587 277 H ILE 55 H ILE 55 8.434 -18.850 3.545 278 HA ILE 55 HA ILE 55 10.466 -20.765 3.127 279 HB ILE 55 HB ILE 55 9.151 -19.077 5.077 280 HG12 ILE 55 2HG1 ILE 55 11.235 -18.490 5.654 281 HG13 ILE 55 1HG1 ILE 55 11.922 -20.091 5.374 282 HG21 ILE 55 1HG2 ILE 55 8.556 -20.703 6.428 283 HG22 ILE 55 2HG2 ILE 55 10.253 -20.587 6.903 284 HG23 ILE 55 3HG2 ILE 55 9.735 -21.831 5.768 285 HD11 ILE 55 3HD1 ILE 55 10.794 -18.618 3.036 286 HD12 ILE 55 1HD1 ILE 55 12.187 -19.697 3.112 287 HD13 ILE 55 2HD1 ILE 55 12.326 -18.036 3.691 288 H GLY 56 H GLY 56 7.428 -20.931 4.953 289 HA2 GLY 56 2HA GLY 56 5.882 -22.634 5.265 290 HA3 GLY 56 1HA GLY 56 6.381 -23.207 3.697 291 H ILE 57 H ILE 57 8.286 -22.934 6.599 292 HA ILE 57 HA ILE 57 9.419 -25.497 6.378 293 HB ILE 57 HB ILE 57 10.405 -24.749 8.525 294 HG12 ILE 57 2HG1 ILE 57 9.213 -22.058 8.148 295 HG13 ILE 57 1HG1 ILE 57 8.122 -23.278 8.809 296 HG21 ILE 57 1HG2 ILE 57 11.818 -23.912 7.003 297 HG22 ILE 57 2HG2 ILE 57 10.951 -22.385 7.165 298 HG23 ILE 57 3HG2 ILE 57 10.492 -23.533 5.906 299 HD11 ILE 57 3HD1 ILE 57 10.303 -23.785 10.313 300 HD12 ILE 57 1HD1 ILE 57 9.075 -22.611 10.786 301 HD13 ILE 57 2HD1 ILE 57 10.560 -22.067 10.008 302 H ASP 58 H ASP 58 8.833 -25.115 9.397 303 HA ASP 58 HA ASP 58 7.681 -26.467 10.999 304 HB2 ASP 58 2HB ASP 58 6.194 -24.572 10.569 305 HB3 ASP 58 1HB ASP 58 5.533 -25.385 9.144 Start of MODEL 9 1 H SER 24 H SER 24 1.623 6.028 2.421 2 HA SER 24 HA SER 24 -0.452 6.526 0.515 3 HB2 SER 24 2HB SER 24 0.214 8.500 -0.530 4 HB3 SER 24 1HB SER 24 0.638 8.862 1.140 5 HG SER 24 HG SER 24 2.256 8.256 -1.049 6 H LYS 25 H LYS 25 1.606 4.548 1.393 7 HA LYS 25 HA LYS 25 2.884 2.864 0.334 8 HB2 LYS 25 2HB LYS 25 0.970 3.571 -1.399 9 HB3 LYS 25 1HB LYS 25 2.365 4.142 -2.317 10 HG2 LYS 25 2HG LYS 25 3.259 1.698 -1.503 11 HG3 LYS 25 1HG LYS 25 1.534 1.376 -1.681 12 HD2 LYS 25 2HD LYS 25 1.626 1.533 -3.939 13 HD3 LYS 25 1HD LYS 25 2.652 2.968 -3.880 14 HE2 LYS 25 2HE LYS 25 4.115 1.388 -4.818 15 HE3 LYS 25 1HE LYS 25 4.497 1.226 -3.092 16 HZ1 LYS 25 3HZ LYS 25 3.025 -0.591 -2.882 17 HZ2 LYS 25 1HZ LYS 25 3.947 -0.912 -4.268 18 HZ3 LYS 25 2HZ LYS 25 2.355 -0.337 -4.424 19 H LYS 26 H LYS 26 3.353 5.704 -1.798 20 HA LYS 26 HA LYS 26 6.227 5.648 -1.080 21 HB2 LYS 26 2HB LYS 26 4.970 4.980 -3.506 22 HB3 LYS 26 1HB LYS 26 5.697 6.565 -3.772 23 HG2 LYS 26 2HG LYS 26 7.578 5.004 -2.308 24 HG3 LYS 26 1HG LYS 26 7.001 4.016 -3.653 25 HD2 LYS 26 2HD LYS 26 7.386 6.656 -4.646 26 HD3 LYS 26 1HD LYS 26 8.829 6.224 -3.727 27 HE2 LYS 26 2HE LYS 26 7.621 4.298 -5.724 28 HE3 LYS 26 1HE LYS 26 8.798 5.531 -6.218 29 HZ1 LYS 26 3HZ LYS 26 9.479 3.147 -5.191 30 HZ2 LYS 26 1HZ LYS 26 9.458 4.100 -3.788 31 HZ3 LYS 26 2HZ LYS 26 10.453 4.536 -5.094 32 H GLU 27 H GLU 27 7.227 7.709 -0.948 33 HA GLU 27 HA GLU 27 6.103 10.137 -1.864 34 HB2 GLU 27 2HB GLU 27 4.469 9.295 -0.038 35 HB3 GLU 27 1HB GLU 27 5.743 9.726 1.103 36 HG2 GLU 27 2HG GLU 27 5.667 12.021 0.489 37 HG3 GLU 27 1HG GLU 27 4.728 11.680 -0.963 38 H LYS 28 H LYS 28 7.841 8.801 0.959 39 HA LYS 28 HA LYS 28 9.546 10.838 1.659 40 HB2 LYS 28 2HB LYS 28 9.603 7.898 1.569 41 HB3 LYS 28 1HB LYS 28 11.208 8.629 1.615 42 HG2 LYS 28 2HG LYS 28 10.823 8.643 3.870 43 HG3 LYS 28 1HG LYS 28 9.966 10.137 3.487 44 HD2 LYS 28 2HD LYS 28 8.045 9.225 4.214 45 HD3 LYS 28 1HD LYS 28 8.187 7.957 2.995 46 HE2 LYS 28 2HE LYS 28 9.892 6.881 4.680 47 HE3 LYS 28 1HE LYS 28 9.073 7.912 5.872 48 HZ1 LYS 28 3HZ LYS 28 7.922 5.803 5.670 49 HZ2 LYS 28 1HZ LYS 28 7.753 6.020 3.997 50 HZ3 LYS 28 2HZ LYS 28 6.943 7.057 5.072 51 H LYS 29 H LYS 29 11.468 11.748 0.824 52 HA LYS 29 HA LYS 29 11.875 12.187 -1.851 53 HB2 LYS 29 2HB LYS 29 13.112 13.326 -0.116 54 HB3 LYS 29 1HB LYS 29 13.877 11.822 0.397 55 HG2 LYS 29 2HG LYS 29 15.121 11.667 -1.663 56 HG3 LYS 29 1HG LYS 29 14.221 13.011 -2.368 57 HD2 LYS 29 2HD LYS 29 16.360 13.865 -1.622 58 HD3 LYS 29 1HD LYS 29 15.119 14.481 -0.531 59 HE2 LYS 29 2HE LYS 29 15.665 12.788 1.136 60 HE3 LYS 29 1HE LYS 29 16.815 12.019 0.024 61 HZ1 LYS 29 3HZ LYS 29 18.148 13.445 1.260 62 HZ2 LYS 29 1HZ LYS 29 16.982 14.676 1.303 63 HZ3 LYS 29 2HZ LYS 29 17.824 14.355 -0.138 64 H LYS 30 H LYS 30 12.261 10.824 -3.553 65 HA LYS 30 HA LYS 30 12.513 8.111 -3.610 66 HB2 LYS 30 2HB LYS 30 13.415 10.390 -5.265 67 HB3 LYS 30 1HB LYS 30 14.182 8.845 -5.639 68 HG2 LYS 30 2HG LYS 30 12.181 7.847 -6.266 69 HG3 LYS 30 1HG LYS 30 11.214 8.918 -5.253 70 HD2 LYS 30 2HD LYS 30 12.357 10.699 -6.998 71 HD3 LYS 30 1HD LYS 30 12.134 9.285 -8.030 72 HE2 LYS 30 2HE LYS 30 9.733 9.292 -6.780 73 HE3 LYS 30 1HE LYS 30 10.088 11.031 -6.759 74 HZ1 LYS 30 3HZ LYS 30 9.250 10.826 -8.860 75 HZ2 LYS 30 1HZ LYS 30 9.779 9.225 -9.050 76 HZ3 LYS 30 2HZ LYS 30 10.886 10.507 -9.186 77 H GLY 31 H GLY 31 13.838 6.878 -2.329 78 HA2 GLY 31 2HA GLY 31 16.272 7.614 -1.175 79 HA3 GLY 31 1HA GLY 31 15.791 5.951 -1.469 80 HA PRO 32 HA PRO 32 19.513 6.768 -4.019 81 HB2 PRO 32 2HB PRO 32 20.601 4.317 -3.579 82 HB3 PRO 32 1HB PRO 32 20.867 5.717 -2.512 83 HG2 PRO 32 2HG PRO 32 18.937 3.475 -2.240 84 HG3 PRO 32 1HG PRO 32 19.977 4.224 -1.018 85 HD2 PRO 32 2HD PRO 32 17.360 4.802 -1.187 86 HD3 PRO 32 1HD PRO 32 18.564 6.033 -0.731 87 H GLU 33 H GLU 33 20.412 4.883 -5.696 88 HA GLU 33 HA GLU 33 18.065 4.150 -7.247 89 HB2 GLU 33 2HB GLU 33 19.494 4.901 -8.852 90 HB3 GLU 33 1HB GLU 33 20.697 5.083 -7.572 91 HG2 GLU 33 2HG GLU 33 21.770 3.661 -9.078 92 HG3 GLU 33 1HG GLU 33 21.117 2.545 -7.883 93 H LYS 34 H LYS 34 19.334 2.852 -4.865 94 HA LYS 34 HA LYS 34 20.288 0.264 -5.463 95 HB2 LYS 34 2HB LYS 34 19.538 1.963 -3.301 96 HB3 LYS 34 1HB LYS 34 18.922 0.356 -3.011 97 HG2 LYS 34 2HG LYS 34 21.654 0.414 -4.077 98 HG3 LYS 34 1HG LYS 34 21.497 1.189 -2.501 99 HD2 LYS 34 2HD LYS 34 20.182 -0.940 -1.822 100 HD3 LYS 34 1HD LYS 34 20.899 -1.669 -3.257 101 HE2 LYS 34 2HE LYS 34 22.503 -0.322 -1.052 102 HE3 LYS 34 1HE LYS 34 22.267 -2.075 -1.195 103 HZ1 LYS 34 3HZ LYS 34 23.454 -2.180 -3.133 104 HZ2 LYS 34 1HZ LYS 34 24.290 -0.927 -2.356 105 HZ3 LYS 34 2HZ LYS 34 23.144 -0.564 -3.555 106 H THR 35 H THR 35 19.119 -1.762 -5.393 107 HA THR 35 HA THR 35 16.229 -1.749 -5.192 108 HB THR 35 HB THR 35 16.839 -2.956 -7.663 109 HG1 THR 35 1HG THR 35 18.046 -1.532 -8.647 110 HG21 THR 35 3HG2 THR 35 15.139 -1.499 -8.488 111 HG22 THR 35 1HG2 THR 35 15.451 -0.322 -7.212 112 HG23 THR 35 2HG2 THR 35 14.697 -1.868 -6.821 113 H ASP 36 H ASP 36 19.200 -3.509 -5.766 114 HA ASP 36 HA ASP 36 17.890 -6.121 -5.331 115 HB2 ASP 36 2HB ASP 36 19.979 -5.214 -6.879 116 HB3 ASP 36 1HB ASP 36 20.810 -5.980 -5.524 117 H GLU 37 H GLU 37 20.862 -4.769 -4.095 118 HA GLU 37 HA GLU 37 20.843 -6.226 -1.649 119 HB2 GLU 37 2HB GLU 37 22.346 -4.066 -2.965 120 HB3 GLU 37 1HB GLU 37 22.386 -3.992 -1.202 121 HG2 GLU 37 2HG GLU 37 22.813 -6.668 -2.440 122 HG3 GLU 37 1HG GLU 37 24.118 -5.493 -2.613 123 H TYR 38 H TYR 38 19.107 -3.535 -2.713 124 HA TYR 38 HA TYR 38 18.664 -2.297 -0.117 125 HB2 TYR 38 2HB TYR 38 18.123 -0.583 -1.459 126 HB3 TYR 38 1HB TYR 38 18.662 -1.593 -2.786 127 HD1 TYR 38 2HD TYR 38 16.561 -3.569 -3.139 128 HD2 TYR 38 1HD TYR 38 16.298 0.573 -2.084 129 HE1 TYR 38 2HE TYR 38 14.262 -3.461 -4.089 130 HE2 TYR 38 1HE TYR 38 14.013 0.690 -3.025 131 HH TYR 38 HH TYR 38 12.624 -2.016 -4.796 132 H LEU 39 H LEU 39 17.281 -4.867 -1.921 133 HA LEU 39 HA LEU 39 14.589 -4.921 -1.217 134 HB2 LEU 39 2HB LEU 39 16.770 -6.826 -1.769 135 HB3 LEU 39 1HB LEU 39 15.478 -7.509 -0.803 136 HG LEU 39 HG LEU 39 14.272 -7.830 -2.674 137 HD11 LEU 39 1HD1 LEU 39 13.561 -5.847 -4.087 138 HD12 LEU 39 2HD1 LEU 39 14.555 -4.844 -3.033 139 HD13 LEU 39 3HD1 LEU 39 13.173 -5.713 -2.370 140 HD21 LEU 39 3HD2 LEU 39 16.233 -8.157 -3.932 141 HD22 LEU 39 1HD2 LEU 39 16.638 -6.441 -3.911 142 HD23 LEU 39 2HD2 LEU 39 15.293 -7.018 -4.895 143 H LEU 40 H LEU 40 17.290 -6.281 0.681 144 HA LEU 40 HA LEU 40 15.838 -6.890 3.017 145 HB2 LEU 40 2HB LEU 40 18.681 -6.243 2.292 146 HB3 LEU 40 1HB LEU 40 18.253 -6.549 3.975 147 HG LEU 40 HG LEU 40 19.020 -8.563 2.552 148 HD11 LEU 40 1HD1 LEU 40 16.724 -9.759 3.507 149 HD12 LEU 40 2HD1 LEU 40 16.806 -8.281 4.466 150 HD13 LEU 40 3HD1 LEU 40 18.158 -9.413 4.474 151 HD21 LEU 40 3HD2 LEU 40 16.191 -8.197 1.515 152 HD22 LEU 40 1HD2 LEU 40 17.174 -9.640 1.271 153 HD23 LEU 40 2HD2 LEU 40 17.671 -8.104 0.560 154 H ALA 41 H ALA 41 17.309 -3.895 1.881 155 HA ALA 41 HA ALA 41 17.296 -2.312 4.165 156 HB1 ALA 41 1HB ALA 41 16.129 -1.083 1.742 157 HB2 ALA 41 2HB ALA 41 17.615 -1.986 1.451 158 HB3 ALA 41 3HB ALA 41 17.605 -0.656 2.610 159 H ARG 42 H ARG 42 14.596 -3.133 2.013 160 HA ARG 42 HA ARG 42 12.649 -1.790 3.680 161 HB2 ARG 42 2HB ARG 42 12.709 -3.223 1.054 162 HB3 ARG 42 1HB ARG 42 11.169 -2.787 1.796 163 HG2 ARG 42 2HG ARG 42 13.420 -0.858 1.151 164 HG3 ARG 42 1HG ARG 42 11.922 -1.028 0.235 165 HD2 ARG 42 2HD ARG 42 10.917 0.428 1.643 166 HD3 ARG 42 1HD ARG 42 11.232 -0.677 2.996 167 HE ARG 42 HE ARG 42 13.531 0.383 3.120 168 HH11 ARG 42 1HH2 ARG 42 10.681 2.107 2.820 169 HH12 ARG 42 2HH2 ARG 42 11.425 3.631 2.473 170 HH21 ARG 42 1HH1 ARG 42 14.604 2.298 2.114 171 HH22 ARG 42 2HH1 ARG 42 13.643 3.739 2.068 172 H PHE 43 H PHE 43 13.942 -4.947 3.338 173 HA PHE 43 HA PHE 43 11.945 -6.765 3.809 174 HB2 PHE 43 2HB PHE 43 14.766 -6.413 4.507 175 HB3 PHE 43 1HB PHE 43 13.917 -7.486 5.609 176 HD1 PHE 43 2HD PHE 43 13.277 -6.884 1.993 177 HD2 PHE 43 1HD PHE 43 14.667 -9.638 4.977 178 HE1 PHE 43 2HE PHE 43 13.386 -8.678 0.282 179 HE2 PHE 43 1HE PHE 43 14.780 -11.435 3.268 180 HZ PHE 43 HZ PHE 43 14.135 -10.956 0.920 181 H LYS 44 H LYS 44 12.985 -4.248 6.030 182 HA LYS 44 HA LYS 44 11.901 -5.345 8.380 183 HB2 LYS 44 2HB LYS 44 12.828 -2.684 7.421 184 HB3 LYS 44 1HB LYS 44 12.101 -2.829 9.026 185 HG2 LYS 44 2HG LYS 44 14.565 -3.116 9.081 186 HG3 LYS 44 1HG LYS 44 13.705 -4.553 9.631 187 HD2 LYS 44 2HD LYS 44 14.051 -5.661 7.537 188 HD3 LYS 44 1HD LYS 44 14.674 -4.186 6.795 189 HE2 LYS 44 2HE LYS 44 16.076 -5.140 9.254 190 HE3 LYS 44 1HE LYS 44 16.334 -6.065 7.760 191 HZ1 LYS 44 3HZ LYS 44 17.043 -3.307 8.377 192 HZ2 LYS 44 1HZ LYS 44 16.443 -3.589 6.816 193 HZ3 LYS 44 2HZ LYS 44 17.818 -4.425 7.359 194 H GLY 45 H GLY 45 10.130 -4.794 5.857 195 HA2 GLY 45 2HA GLY 45 7.833 -3.679 7.392 196 HA3 GLY 45 1HA GLY 45 8.101 -3.259 5.706 197 H ASP 46 H ASP 46 7.281 -4.583 4.163 198 HA ASP 46 HA ASP 46 5.543 -6.783 4.973 199 HB2 ASP 46 2HB ASP 46 6.330 -6.030 2.164 200 HB3 ASP 46 1HB ASP 46 4.781 -6.615 2.761 201 H GLY 47 H GLY 47 8.448 -7.245 5.423 202 HA2 GLY 47 2HA GLY 47 9.186 -9.155 3.299 203 HA3 GLY 47 1HA GLY 47 10.186 -8.704 4.681 204 H VAL 48 H VAL 48 8.695 -9.136 6.748 205 HA VAL 48 HA VAL 48 8.842 -11.838 7.374 206 HB VAL 48 HB VAL 48 8.687 -10.438 9.219 207 HG11 VAL 48 1HG1 VAL 48 8.233 -8.313 8.526 208 HG12 VAL 48 2HG1 VAL 48 6.636 -8.703 9.170 209 HG13 VAL 48 3HG1 VAL 48 6.947 -8.835 7.438 210 HG21 VAL 48 3HG2 VAL 48 6.581 -10.649 10.318 211 HG22 VAL 48 1HG2 VAL 48 6.841 -12.121 9.381 212 HG23 VAL 48 2HG2 VAL 48 5.748 -10.872 8.778 213 H LYS 49 H LYS 49 5.977 -9.972 6.336 214 HA LYS 49 HA LYS 49 3.968 -11.806 6.588 215 HB2 LYS 49 2HB LYS 49 3.164 -10.724 4.377 216 HB3 LYS 49 1HB LYS 49 3.461 -9.688 5.768 217 HG2 LYS 49 2HG LYS 49 5.026 -8.544 4.648 218 HG3 LYS 49 1HG LYS 49 5.895 -10.023 4.249 219 HD2 LYS 49 2HD LYS 49 5.140 -8.830 2.201 220 HD3 LYS 49 1HD LYS 49 4.375 -10.412 2.344 221 HE2 LYS 49 2HE LYS 49 2.292 -9.505 2.878 222 HE3 LYS 49 1HE LYS 49 2.997 -8.009 3.521 223 HZ1 LYS 49 3HZ LYS 49 3.828 -7.575 1.218 224 HZ2 LYS 49 1HZ LYS 49 2.141 -7.496 1.381 225 HZ3 LYS 49 2HZ LYS 49 2.863 -8.867 0.682 226 H TYR 50 H TYR 50 5.913 -11.650 3.535 227 HA TYR 50 HA TYR 50 4.925 -14.298 2.841 228 HB2 TYR 50 2HB TYR 50 6.041 -13.769 0.750 229 HB3 TYR 50 1HB TYR 50 5.030 -12.433 1.276 230 HD1 TYR 50 1HD TYR 50 8.536 -13.684 1.670 231 HD2 TYR 50 2HD TYR 50 5.930 -10.310 1.228 232 HE1 TYR 50 1HE TYR 50 10.510 -12.184 1.569 233 HE2 TYR 50 2HE TYR 50 7.901 -8.801 1.126 234 HH TYR 50 HH TYR 50 10.112 -8.654 1.241 235 H LYS 51 H LYS 51 7.916 -12.837 4.044 236 HA LYS 51 HA LYS 51 9.811 -14.743 3.385 237 HB2 LYS 51 2HB LYS 51 9.267 -12.892 5.605 238 HB3 LYS 51 1HB LYS 51 10.407 -14.178 5.967 239 HG2 LYS 51 2HG LYS 51 10.696 -12.693 3.389 240 HG3 LYS 51 1HG LYS 51 11.260 -11.931 4.878 241 HD2 LYS 51 2HD LYS 51 13.129 -13.179 4.803 242 HD3 LYS 51 1HD LYS 51 12.149 -14.643 4.898 243 HE2 LYS 51 2HE LYS 51 12.092 -14.914 2.565 244 HE3 LYS 51 1HE LYS 51 12.454 -13.202 2.265 245 HZ1 LYS 51 3HZ LYS 51 14.389 -14.724 3.833 246 HZ2 LYS 51 1HZ LYS 51 14.647 -13.481 2.710 247 HZ3 LYS 51 2HZ LYS 51 14.324 -15.059 2.168 248 H ALA 52 H ALA 52 7.777 -14.795 6.216 249 HA ALA 52 HA ALA 52 8.356 -17.304 7.256 250 HB1 ALA 52 1HB ALA 52 6.966 -15.967 8.556 251 HB2 ALA 52 2HB ALA 52 5.793 -17.101 7.884 252 HB3 ALA 52 3HB ALA 52 5.986 -15.501 7.166 253 H LYS 53 H LYS 53 5.765 -16.486 5.090 254 HA LYS 53 HA LYS 53 4.812 -19.092 4.578 255 HB2 LYS 53 2HB LYS 53 4.670 -16.392 3.276 256 HB3 LYS 53 1HB LYS 53 3.908 -17.777 2.504 257 HG2 LYS 53 2HG LYS 53 3.238 -17.865 5.269 258 HG3 LYS 53 1HG LYS 53 2.937 -16.224 4.698 259 HD2 LYS 53 2HD LYS 53 1.360 -16.913 3.125 260 HD3 LYS 53 1HD LYS 53 2.018 -18.545 3.032 261 HE2 LYS 53 2HE LYS 53 1.277 -18.627 5.591 262 HE3 LYS 53 1HE LYS 53 0.138 -17.378 5.050 263 HZ1 LYS 53 3HZ LYS 53 -0.292 -19.990 4.712 264 HZ2 LYS 53 1HZ LYS 53 0.493 -19.629 3.252 265 HZ3 LYS 53 2HZ LYS 53 -0.923 -18.796 3.682 266 H LEU 54 H LEU 54 6.922 -17.045 2.442 267 HA LEU 54 HA LEU 54 7.299 -18.822 0.388 268 HB2 LEU 54 2HB LEU 54 9.093 -16.882 1.776 269 HB3 LEU 54 1HB LEU 54 9.453 -17.587 0.190 270 HG LEU 54 HG LEU 54 7.046 -15.960 0.966 271 HD11 LEU 54 1HD1 LEU 54 8.082 -14.277 -0.075 272 HD12 LEU 54 2HD1 LEU 54 8.479 -15.301 -1.458 273 HD13 LEU 54 3HD1 LEU 54 9.531 -15.282 -0.041 274 HD21 LEU 54 3HD2 LEU 54 6.499 -16.365 -1.556 275 HD22 LEU 54 1HD2 LEU 54 6.085 -17.612 -0.380 276 HD23 LEU 54 2HD2 LEU 54 7.533 -17.782 -1.371 277 H ILE 55 H ILE 55 8.545 -18.939 3.617 278 HA ILE 55 HA ILE 55 10.593 -20.847 3.231 279 HB ILE 55 HB ILE 55 9.263 -19.144 5.155 280 HG12 ILE 55 2HG1 ILE 55 11.343 -18.544 5.731 281 HG13 ILE 55 1HG1 ILE 55 12.033 -20.148 5.481 282 HG21 ILE 55 1HG2 ILE 55 9.863 -21.888 5.882 283 HG22 ILE 55 2HG2 ILE 55 8.672 -20.761 6.522 284 HG23 ILE 55 3HG2 ILE 55 10.364 -20.628 7.002 285 HD11 ILE 55 3HD1 ILE 55 10.933 -18.650 3.133 286 HD12 ILE 55 1HD1 ILE 55 12.259 -19.810 3.192 287 HD13 ILE 55 2HD1 ILE 55 12.501 -18.162 3.775 288 H GLY 56 H GLY 56 7.571 -21.029 5.073 289 HA2 GLY 56 2HA GLY 56 6.095 -22.778 5.483 290 HA3 GLY 56 1HA GLY 56 6.442 -23.254 3.840 291 H ILE 57 H ILE 57 8.639 -23.122 6.525 292 HA ILE 57 HA ILE 57 9.732 -25.670 6.051 293 HB ILE 57 HB ILE 57 10.989 -25.020 8.074 294 HG12 ILE 57 2HG1 ILE 57 9.735 -22.330 8.017 295 HG13 ILE 57 1HG1 ILE 57 8.761 -23.602 8.751 296 HG21 ILE 57 1HG2 ILE 57 11.388 -22.594 6.810 297 HG22 ILE 57 2HG2 ILE 57 10.692 -23.613 5.550 298 HG23 ILE 57 3HG2 ILE 57 12.163 -24.121 6.382 299 HD11 ILE 57 3HD1 ILE 57 11.551 -22.734 9.540 300 HD12 ILE 57 1HD1 ILE 57 10.799 -24.214 10.135 301 HD13 ILE 57 2HD1 ILE 57 10.084 -22.647 10.515 302 H ASP 58 H ASP 58 9.539 -25.442 9.128 303 HA ASP 58 HA ASP 58 8.624 -26.908 10.782 304 HB2 ASP 58 2HB ASP 58 7.153 -24.947 10.702 305 HB3 ASP 58 1HB ASP 58 6.236 -25.669 9.374 Start of MODEL 10 1 H SER 24 H SER 24 5.526 -4.648 -3.301 2 HA SER 24 HA SER 24 8.221 -5.461 -2.782 3 HB2 SER 24 2HB SER 24 6.556 -7.155 -4.591 4 HB3 SER 24 1HB SER 24 8.219 -6.846 -5.081 5 HG SER 24 HG SER 24 7.243 -8.434 -3.101 6 H LYS 25 H LYS 25 6.827 -5.436 -6.036 7 HA LYS 25 HA LYS 25 8.492 -3.572 -7.207 8 HB2 LYS 25 2HB LYS 25 5.610 -4.339 -7.559 9 HB3 LYS 25 1HB LYS 25 6.290 -3.061 -8.567 10 HG2 LYS 25 2HG LYS 25 7.007 -4.737 -9.910 11 HG3 LYS 25 1HG LYS 25 8.241 -5.012 -8.680 12 HD2 LYS 25 2HD LYS 25 7.062 -6.785 -7.704 13 HD3 LYS 25 1HD LYS 25 5.522 -6.262 -8.385 14 HE2 LYS 25 2HE LYS 25 7.348 -6.775 -10.549 15 HE3 LYS 25 1HE LYS 25 7.309 -8.186 -9.474 16 HZ1 LYS 25 3HZ LYS 25 4.886 -6.748 -10.413 17 HZ2 LYS 25 1HZ LYS 25 4.937 -8.199 -9.536 18 HZ3 LYS 25 2HZ LYS 25 5.487 -8.160 -11.142 19 H LYS 26 H LYS 26 5.199 -2.629 -6.144 20 HA LYS 26 HA LYS 26 4.407 -0.562 -5.313 21 HB2 LYS 26 2HB LYS 26 6.083 -1.450 -3.573 22 HB3 LYS 26 1HB LYS 26 7.229 -0.294 -4.253 23 HG2 LYS 26 2HG LYS 26 6.025 1.547 -3.514 24 HG3 LYS 26 1HG LYS 26 4.495 0.670 -3.495 25 HD2 LYS 26 2HD LYS 26 6.699 -0.153 -1.626 26 HD3 LYS 26 1HD LYS 26 5.684 1.231 -1.222 27 HE2 LYS 26 2HE LYS 26 3.813 -0.639 -2.017 28 HE3 LYS 26 1HE LYS 26 5.019 -1.633 -1.176 29 HZ1 LYS 26 3HZ LYS 26 3.737 -0.833 0.560 30 HZ2 LYS 26 1HZ LYS 26 3.500 0.683 -0.163 31 HZ3 LYS 26 2HZ LYS 26 5.008 0.293 0.515 32 H GLU 27 H GLU 27 5.628 -0.593 -7.998 33 HA GLU 27 HA GLU 27 7.449 1.316 -8.712 34 HB2 GLU 27 2HB GLU 27 5.777 1.759 -10.650 35 HB3 GLU 27 1HB GLU 27 6.322 0.100 -10.401 36 HG2 GLU 27 2HG GLU 27 4.279 -0.602 -9.612 37 HG3 GLU 27 1HG GLU 27 3.900 0.964 -8.895 38 H LYS 28 H LYS 28 4.252 1.944 -7.357 39 HA LYS 28 HA LYS 28 3.935 4.667 -7.974 40 HB2 LYS 28 2HB LYS 28 2.980 2.696 -6.021 41 HB3 LYS 28 1HB LYS 28 2.921 4.354 -5.421 42 HG2 LYS 28 2HG LYS 28 2.005 4.201 -8.176 43 HG3 LYS 28 1HG LYS 28 1.062 3.142 -7.128 44 HD2 LYS 28 2HD LYS 28 -0.043 5.233 -6.995 45 HD3 LYS 28 1HD LYS 28 0.924 5.155 -5.521 46 HE2 LYS 28 2HE LYS 28 1.386 7.321 -6.375 47 HE3 LYS 28 1HE LYS 28 2.759 6.357 -6.953 48 HZ1 LYS 28 3HZ LYS 28 1.827 7.534 -8.807 49 HZ2 LYS 28 1HZ LYS 28 0.267 6.974 -8.449 50 HZ3 LYS 28 2HZ LYS 28 1.458 5.885 -8.982 51 H LYS 29 H LYS 29 5.119 6.432 -7.397 52 HA LYS 29 HA LYS 29 7.053 7.524 -6.478 53 HB2 LYS 29 2HB LYS 29 5.011 8.331 -5.469 54 HB3 LYS 29 1HB LYS 29 4.999 6.989 -4.325 55 HG2 LYS 29 2HG LYS 29 7.516 8.120 -3.966 56 HG3 LYS 29 1HG LYS 29 6.467 9.518 -4.202 57 HD2 LYS 29 2HD LYS 29 5.813 7.274 -2.278 58 HD3 LYS 29 1HD LYS 29 6.678 8.734 -1.797 59 HE2 LYS 29 2HE LYS 29 4.619 9.923 -3.023 60 HE3 LYS 29 1HE LYS 29 3.810 8.408 -2.574 61 HZ1 LYS 29 3HZ LYS 29 5.045 8.795 -0.338 62 HZ2 LYS 29 1HZ LYS 29 3.594 9.617 -0.644 63 HZ3 LYS 29 2HZ LYS 29 5.080 10.418 -0.840 64 H LYS 30 H LYS 30 8.235 5.203 -6.715 65 HA LYS 30 HA LYS 30 8.718 3.610 -4.430 66 HB2 LYS 30 2HB LYS 30 10.404 2.661 -5.824 67 HB3 LYS 30 1HB LYS 30 9.143 3.227 -6.920 68 HG2 LYS 30 2HG LYS 30 10.634 5.468 -6.787 69 HG3 LYS 30 1HG LYS 30 11.898 4.270 -6.505 70 HD2 LYS 30 2HD LYS 30 11.747 3.414 -8.619 71 HD3 LYS 30 1HD LYS 30 10.001 3.655 -8.703 72 HE2 LYS 30 2HE LYS 30 11.031 6.254 -8.577 73 HE3 LYS 30 1HE LYS 30 12.131 5.392 -9.673 74 HZ1 LYS 30 3HZ LYS 30 10.252 4.552 -10.895 75 HZ2 LYS 30 1HZ LYS 30 10.146 6.244 -10.825 76 HZ3 LYS 30 2HZ LYS 30 9.164 5.291 -9.818 77 H GLY 31 H GLY 31 8.904 5.913 -3.104 78 HA2 GLY 31 2HA GLY 31 10.313 7.332 -1.861 79 HA3 GLY 31 1HA GLY 31 11.379 5.941 -1.870 80 HA PRO 32 HA PRO 32 13.731 9.273 -3.883 81 HB2 PRO 32 2HB PRO 32 16.126 8.290 -3.057 82 HB3 PRO 32 1HB PRO 32 15.115 9.388 -2.086 83 HG2 PRO 32 2HG PRO 32 15.327 6.428 -1.979 84 HG3 PRO 32 1HG PRO 32 15.289 7.604 -0.658 85 HD2 PRO 32 2HD PRO 32 13.116 6.185 -1.322 86 HD3 PRO 32 1HD PRO 32 12.986 7.883 -0.801 87 H GLU 33 H GLU 33 16.181 8.540 -4.953 88 HA GLU 33 HA GLU 33 15.354 7.023 -7.231 89 HB2 GLU 33 2HB GLU 33 16.946 8.363 -8.146 90 HB3 GLU 33 1HB GLU 33 17.119 9.013 -6.511 91 HG2 GLU 33 2HG GLU 33 18.928 7.596 -5.997 92 HG3 GLU 33 1HG GLU 33 18.609 6.544 -7.373 93 H LYS 34 H LYS 34 16.231 6.087 -4.419 94 HA LYS 34 HA LYS 34 18.178 4.047 -4.738 95 HB2 LYS 34 2HB LYS 34 16.387 5.199 -2.842 96 HB3 LYS 34 1HB LYS 34 16.349 3.463 -2.698 97 HG2 LYS 34 2HG LYS 34 19.039 4.585 -3.056 98 HG3 LYS 34 1HG LYS 34 18.244 5.107 -1.570 99 HD2 LYS 34 2HD LYS 34 17.713 2.655 -1.139 100 HD3 LYS 34 1HD LYS 34 18.813 2.273 -2.464 101 HE2 LYS 34 2HE LYS 34 19.652 4.009 -0.125 102 HE3 LYS 34 1HE LYS 34 19.867 2.248 -0.132 103 HZ1 LYS 34 3HZ LYS 34 20.824 4.092 -2.258 104 HZ2 LYS 34 1HZ LYS 34 21.061 2.412 -2.209 105 HZ3 LYS 34 2HZ LYS 34 21.807 3.408 -1.054 106 H THR 35 H THR 35 17.805 1.772 -5.093 107 HA THR 35 HA THR 35 15.132 0.742 -5.417 108 HB THR 35 HB THR 35 16.517 0.450 -7.922 109 HG1 THR 35 1HG THR 35 16.934 2.454 -8.342 110 HG21 THR 35 3HG2 THR 35 14.052 0.060 -7.309 111 HG22 THR 35 1HG2 THR 35 14.382 0.884 -8.834 112 HG23 THR 35 2HG2 THR 35 13.886 1.812 -7.420 113 H ASP 36 H ASP 36 18.578 0.269 -5.658 114 HA ASP 36 HA ASP 36 18.242 -2.667 -5.906 115 HB2 ASP 36 2HB ASP 36 19.872 -1.522 -7.339 116 HB3 ASP 36 1HB ASP 36 20.656 -0.846 -5.911 117 H GLU 37 H GLU 37 20.416 -0.696 -4.023 118 HA GLU 37 HA GLU 37 20.645 -2.541 -1.864 119 HB2 GLU 37 2HB GLU 37 21.418 0.233 -2.540 120 HB3 GLU 37 1HB GLU 37 21.338 -0.126 -0.815 121 HG2 GLU 37 2HG GLU 37 22.656 -2.242 -2.345 122 HG3 GLU 37 1HG GLU 37 23.485 -0.691 -2.480 123 H TYR 38 H TYR 38 18.224 -0.384 -2.788 124 HA TYR 38 HA TYR 38 17.143 0.190 -0.162 125 HB2 TYR 38 2HB TYR 38 16.087 1.789 -1.345 126 HB3 TYR 38 1HB TYR 38 17.121 1.292 -2.672 127 HD1 TYR 38 1HD TYR 38 16.031 -1.217 -3.600 128 HD2 TYR 38 2HD TYR 38 14.005 2.263 -2.137 129 HE1 TYR 38 1HE TYR 38 14.009 -1.853 -4.886 130 HE2 TYR 38 2HE TYR 38 11.981 1.643 -3.423 131 HH TYR 38 HH TYR 38 11.573 0.196 -5.607 132 H LEU 39 H LEU 39 16.809 -2.390 -2.436 133 HA LEU 39 HA LEU 39 14.219 -3.326 -2.042 134 HB2 LEU 39 2HB LEU 39 16.882 -4.383 -2.682 135 HB3 LEU 39 1HB LEU 39 15.826 -5.580 -1.952 136 HG LEU 39 HG LEU 39 15.246 -5.876 -4.147 137 HD11 LEU 39 1HD1 LEU 39 13.528 -3.437 -3.781 138 HD12 LEU 39 2HD1 LEU 39 13.246 -4.907 -2.850 139 HD13 LEU 39 3HD1 LEU 39 13.136 -4.944 -4.610 140 HD21 LEU 39 3HD2 LEU 39 16.353 -4.580 -5.604 141 HD22 LEU 39 1HD2 LEU 39 16.504 -3.289 -4.412 142 HD23 LEU 39 2HD2 LEU 39 15.063 -3.392 -5.423 143 H LEU 40 H LEU 40 17.089 -4.240 -0.127 144 HA LEU 40 HA LEU 40 15.683 -5.629 1.906 145 HB2 LEU 40 2HB LEU 40 18.357 -4.311 1.560 146 HB3 LEU 40 1HB LEU 40 17.927 -5.024 3.115 147 HG LEU 40 HG LEU 40 19.146 -6.526 1.401 148 HD11 LEU 40 1HD1 LEU 40 18.323 -7.680 3.243 149 HD12 LEU 40 2HD1 LEU 40 17.369 -8.414 1.954 150 HD13 LEU 40 3HD1 LEU 40 16.665 -7.148 2.959 151 HD21 LEU 40 3HD2 LEU 40 17.593 -7.661 -0.192 152 HD22 LEU 40 1HD2 LEU 40 17.816 -5.953 -0.569 153 HD23 LEU 40 2HD2 LEU 40 16.343 -6.494 0.238 154 H ALA 41 H ALA 41 16.493 -2.218 1.509 155 HA ALA 41 HA ALA 41 16.144 -1.175 4.046 156 HB1 ALA 41 1HB ALA 41 16.090 -0.295 1.368 157 HB2 ALA 41 2HB ALA 41 16.164 0.723 2.806 158 HB3 ALA 41 3HB ALA 41 14.604 0.319 2.091 159 H ARG 42 H ARG 42 13.664 -2.342 1.813 160 HA ARG 42 HA ARG 42 11.502 -1.723 3.632 161 HB2 ARG 42 2HB ARG 42 11.841 -2.752 0.852 162 HB3 ARG 42 1HB ARG 42 10.276 -2.921 1.649 163 HG2 ARG 42 2HG ARG 42 11.669 -0.261 1.686 164 HG3 ARG 42 1HG ARG 42 10.789 -0.758 0.240 165 HD2 ARG 42 2HD ARG 42 8.808 -0.272 1.223 166 HD3 ARG 42 1HD ARG 42 9.208 -1.294 2.618 167 HE ARG 42 HE ARG 42 10.542 1.350 2.460 168 HH11 ARG 42 1HH1 ARG 42 10.319 -0.439 4.920 169 HH12 ARG 42 2HH1 ARG 42 9.117 0.404 5.837 170 HH21 ARG 42 1HH2 ARG 42 8.042 2.329 3.161 171 HH22 ARG 42 2HH2 ARG 42 7.828 1.971 4.842 172 H PHE 43 H PHE 43 13.516 -4.417 2.896 173 HA PHE 43 HA PHE 43 11.997 -6.684 3.264 174 HB2 PHE 43 2HB PHE 43 14.737 -5.780 3.851 175 HB3 PHE 43 1HB PHE 43 14.224 -7.164 4.797 176 HD1 PHE 43 2HD PHE 43 13.360 -6.118 1.317 177 HD2 PHE 43 1HD PHE 43 15.216 -9.060 3.833 178 HE1 PHE 43 2HE PHE 43 13.721 -7.575 -0.658 179 HE2 PHE 43 1HE PHE 43 15.580 -10.519 1.860 180 HZ PHE 43 HZ PHE 43 14.830 -9.777 -0.386 181 H LYS 44 H LYS 44 12.952 -4.344 5.760 182 HA LYS 44 HA LYS 44 12.009 -5.908 7.925 183 HB2 LYS 44 2HB LYS 44 12.984 -3.133 7.467 184 HB3 LYS 44 1HB LYS 44 12.336 -3.587 9.048 185 HG2 LYS 44 2HG LYS 44 14.775 -3.944 8.933 186 HG3 LYS 44 1HG LYS 44 13.902 -5.456 9.172 187 HD2 LYS 44 2HD LYS 44 14.223 -6.131 6.941 188 HD3 LYS 44 1HD LYS 44 14.655 -4.501 6.422 189 HE2 LYS 44 2HE LYS 44 16.698 -4.683 7.947 190 HE3 LYS 44 1HE LYS 44 16.318 -6.413 8.085 191 HZ1 LYS 44 3HZ LYS 44 16.044 -6.101 5.482 192 HZ2 LYS 44 1HZ LYS 44 17.535 -6.495 6.187 193 HZ3 LYS 44 2HZ LYS 44 17.199 -4.886 5.758 194 H GLY 45 H GLY 45 10.228 -4.805 5.627 195 HA2 GLY 45 2HA GLY 45 8.026 -3.779 7.359 196 HA3 GLY 45 1HA GLY 45 8.206 -3.338 5.664 197 H ASP 46 H ASP 46 7.359 -4.674 4.125 198 HA ASP 46 HA ASP 46 5.561 -6.809 4.985 199 HB2 ASP 46 2HB ASP 46 6.356 -6.051 2.172 200 HB3 ASP 46 1HB ASP 46 4.811 -6.665 2.748 201 H GLY 47 H GLY 47 8.508 -7.287 5.357 202 HA2 GLY 47 2HA GLY 47 9.165 -9.248 3.268 203 HA3 GLY 47 1HA GLY 47 10.190 -8.802 4.633 204 H VAL 48 H VAL 48 8.716 -9.186 6.719 205 HA VAL 48 HA VAL 48 8.825 -11.881 7.364 206 HB VAL 48 HB VAL 48 8.698 -10.446 9.193 207 HG11 VAL 48 1HG1 VAL 48 6.561 -8.764 9.082 208 HG12 VAL 48 2HG1 VAL 48 7.010 -8.857 7.380 209 HG13 VAL 48 3HG1 VAL 48 8.192 -8.325 8.577 210 HG21 VAL 48 3HG2 VAL 48 6.699 -12.142 9.114 211 HG22 VAL 48 1HG2 VAL 48 5.748 -10.664 8.978 212 HG23 VAL 48 2HG2 VAL 48 6.794 -10.912 10.378 213 H LYS 49 H LYS 49 5.973 -9.981 6.347 214 HA LYS 49 HA LYS 49 3.954 -11.798 6.606 215 HB2 LYS 49 2HB LYS 49 3.146 -10.720 4.398 216 HB3 LYS 49 1HB LYS 49 3.456 -9.679 5.781 217 HG2 LYS 49 2HG LYS 49 5.052 -8.562 4.674 218 HG3 LYS 49 1HG LYS 49 5.863 -10.052 4.205 219 HD2 LYS 49 2HD LYS 49 5.043 -8.742 2.233 220 HD3 LYS 49 1HD LYS 49 4.317 -10.346 2.331 221 HE2 LYS 49 2HE LYS 49 2.322 -9.342 3.454 222 HE3 LYS 49 1HE LYS 49 3.044 -7.737 3.233 223 HZ1 LYS 49 3HZ LYS 49 2.262 -9.684 1.138 224 HZ2 LYS 49 1HZ LYS 49 3.292 -8.374 0.822 225 HZ3 LYS 49 2HZ LYS 49 1.700 -8.095 1.346 226 H TYR 50 H TYR 50 5.899 -11.664 3.557 227 HA TYR 50 HA TYR 50 4.920 -14.327 2.891 228 HB2 TYR 50 2HB TYR 50 5.961 -13.786 0.774 229 HB3 TYR 50 1HB TYR 50 4.983 -12.436 1.330 230 HD1 TYR 50 1HD TYR 50 8.473 -13.754 1.574 231 HD2 TYR 50 2HD TYR 50 5.914 -10.320 1.330 232 HE1 TYR 50 1HE TYR 50 10.469 -12.285 1.435 233 HE2 TYR 50 2HE TYR 50 7.909 -8.843 1.188 234 HH TYR 50 HH TYR 50 10.208 -8.813 1.639 235 H LYS 51 H LYS 51 7.878 -12.817 4.103 236 HA LYS 51 HA LYS 51 9.832 -14.666 3.415 237 HB2 LYS 51 2HB LYS 51 9.230 -12.876 5.684 238 HB3 LYS 51 1HB LYS 51 10.423 -14.127 5.999 239 HG2 LYS 51 2HG LYS 51 10.722 -12.701 3.423 240 HG3 LYS 51 1HG LYS 51 11.051 -11.747 4.871 241 HD2 LYS 51 2HD LYS 51 12.296 -14.438 4.232 242 HD3 LYS 51 1HD LYS 51 13.095 -12.877 4.036 243 HE2 LYS 51 2HE LYS 51 12.243 -12.687 6.630 244 HE3 LYS 51 1HE LYS 51 12.589 -14.424 6.506 245 HZ1 LYS 51 3HZ LYS 51 14.667 -13.545 6.938 246 HZ2 LYS 51 1HZ LYS 51 14.390 -12.140 6.028 247 HZ3 LYS 51 2HZ LYS 51 14.671 -13.619 5.241 248 H ALA 52 H ALA 52 7.733 -14.797 6.188 249 HA ALA 52 HA ALA 52 8.378 -17.316 7.206 250 HB1 ALA 52 1HB ALA 52 6.616 -16.850 8.594 251 HB2 ALA 52 2HB ALA 52 5.546 -16.494 7.237 252 HB3 ALA 52 3HB ALA 52 6.691 -15.277 7.801 253 H LYS 53 H LYS 53 5.766 -16.438 5.093 254 HA LYS 53 HA LYS 53 4.742 -18.998 4.535 255 HB2 LYS 53 2HB LYS 53 4.764 -16.314 3.175 256 HB3 LYS 53 1HB LYS 53 3.891 -17.673 2.481 257 HG2 LYS 53 2HG LYS 53 2.871 -17.922 4.873 258 HG3 LYS 53 1HG LYS 53 3.397 -16.250 5.078 259 HD2 LYS 53 2HD LYS 53 1.595 -15.544 3.935 260 HD3 LYS 53 1HD LYS 53 2.133 -16.460 2.527 261 HE2 LYS 53 2HE LYS 53 0.434 -17.528 4.811 262 HE3 LYS 53 1HE LYS 53 -0.098 -17.242 3.141 263 HZ1 LYS 53 3HZ LYS 53 1.619 -19.342 4.202 264 HZ2 LYS 53 1HZ LYS 53 2.086 -18.683 2.711 265 HZ3 LYS 53 2HZ LYS 53 0.546 -19.380 2.886 266 H LEU 54 H LEU 54 6.937 -17.017 2.431 267 HA LEU 54 HA LEU 54 7.303 -18.816 0.394 268 HB2 LEU 54 2HB LEU 54 9.114 -16.888 1.773 269 HB3 LEU 54 1HB LEU 54 9.468 -17.613 0.196 270 HG LEU 54 HG LEU 54 7.097 -15.931 0.952 271 HD11 LEU 54 1HD1 LEU 54 9.572 -15.272 -0.002 272 HD12 LEU 54 2HD1 LEU 54 8.118 -14.292 -0.195 273 HD13 LEU 54 3HD1 LEU 54 8.618 -15.393 -1.480 274 HD21 LEU 54 3HD2 LEU 54 7.518 -17.826 -1.333 275 HD22 LEU 54 1HD2 LEU 54 6.563 -16.364 -1.586 276 HD23 LEU 54 2HD2 LEU 54 6.066 -17.543 -0.374 277 H ILE 55 H ILE 55 8.577 -18.890 3.623 278 HA ILE 55 HA ILE 55 10.623 -20.793 3.249 279 HB ILE 55 HB ILE 55 9.279 -19.107 5.176 280 HG12 ILE 55 2HG1 ILE 55 11.356 -18.468 5.730 281 HG13 ILE 55 1HG1 ILE 55 12.063 -20.069 5.507 282 HG21 ILE 55 1HG2 ILE 55 8.679 -20.864 6.426 283 HG22 ILE 55 2HG2 ILE 55 10.282 -20.493 7.068 284 HG23 ILE 55 3HG2 ILE 55 10.070 -21.828 5.932 285 HD11 ILE 55 3HD1 ILE 55 10.959 -18.589 3.144 286 HD12 ILE 55 1HD1 ILE 55 12.261 -19.776 3.204 287 HD13 ILE 55 2HD1 ILE 55 12.542 -18.130 3.773 288 H GLY 56 H GLY 56 7.472 -20.975 4.898 289 HA2 GLY 56 2HA GLY 56 6.082 -22.993 4.059 290 HA3 GLY 56 1HA GLY 56 7.515 -23.862 4.519 291 H ILE 57 H ILE 57 5.768 -21.286 6.098 292 HA ILE 57 HA ILE 57 6.068 -22.351 8.682 293 HB ILE 57 HB ILE 57 4.747 -20.337 9.178 294 HG12 ILE 57 2HG1 ILE 57 4.849 -19.573 6.298 295 HG13 ILE 57 1HG1 ILE 57 3.581 -20.709 6.763 296 HG21 ILE 57 1HG2 ILE 57 7.115 -20.369 7.357 297 HG22 ILE 57 2HG2 ILE 57 7.030 -19.938 9.066 298 HG23 ILE 57 3HG2 ILE 57 6.416 -18.825 7.843 299 HD11 ILE 57 3HD1 ILE 57 3.470 -17.938 7.033 300 HD12 ILE 57 1HD1 ILE 57 3.830 -18.507 8.663 301 HD13 ILE 57 2HD1 ILE 57 2.400 -19.099 7.818 302 H ASP 58 H ASP 58 3.225 -21.213 8.677 303 HA ASP 58 HA ASP 58 1.124 -22.164 9.316 304 HB2 ASP 58 2HB ASP 58 1.060 -21.780 6.883 305 HB3 ASP 58 1HB ASP 58 1.767 -23.380 6.609 Start of MODEL 11 1 H SER 24 H SER 24 0.294 21.394 4.877 2 HA SER 24 HA SER 24 -1.444 23.535 4.101 3 HB2 SER 24 2HB SER 24 1.127 24.192 3.558 4 HB3 SER 24 1HB SER 24 0.728 23.326 2.078 5 HG SER 24 HG SER 24 0.167 25.491 1.856 6 H LYS 25 H LYS 25 -1.900 20.854 4.362 7 HA LYS 25 HA LYS 25 -2.808 18.999 3.213 8 HB2 LYS 25 2HB LYS 25 -3.552 21.366 1.989 9 HB3 LYS 25 1HB LYS 25 -2.915 20.419 0.644 10 HG2 LYS 25 2HG LYS 25 -5.026 19.486 2.611 11 HG3 LYS 25 1HG LYS 25 -5.328 20.001 0.952 12 HD2 LYS 25 2HD LYS 25 -4.110 18.152 0.053 13 HD3 LYS 25 1HD LYS 25 -3.429 17.747 1.629 14 HE2 LYS 25 2HE LYS 25 -5.377 16.270 0.879 15 HE3 LYS 25 1HE LYS 25 -5.597 17.044 2.461 16 HZ1 LYS 25 3HZ LYS 25 -6.409 18.486 0.033 17 HZ2 LYS 25 1HZ LYS 25 -7.020 18.611 1.611 18 HZ3 LYS 25 2HZ LYS 25 -7.431 17.275 0.644 19 H LYS 26 H LYS 26 0.110 19.286 3.258 20 HA LYS 26 HA LYS 26 1.482 18.965 0.866 21 HB2 LYS 26 2HB LYS 26 2.266 18.957 3.314 22 HB3 LYS 26 1HB LYS 26 1.918 17.228 3.301 23 HG2 LYS 26 2HG LYS 26 3.743 16.751 2.036 24 HG3 LYS 26 1HG LYS 26 3.487 18.144 0.984 25 HD2 LYS 26 2HD LYS 26 5.227 19.127 2.031 26 HD3 LYS 26 1HD LYS 26 4.191 19.253 3.453 27 HE2 LYS 26 2HE LYS 26 5.841 16.784 2.824 28 HE3 LYS 26 1HE LYS 26 6.389 18.083 3.903 29 HZ1 LYS 26 3HZ LYS 26 4.615 17.739 5.351 30 HZ2 LYS 26 1HZ LYS 26 5.098 16.162 4.953 31 HZ3 LYS 26 2HZ LYS 26 3.725 16.840 4.217 32 H GLU 27 H GLU 27 1.401 17.462 -0.760 33 HA GLU 27 HA GLU 27 -0.517 15.458 -1.000 34 HB2 GLU 27 2HB GLU 27 1.877 16.416 -2.335 35 HB3 GLU 27 1HB GLU 27 1.705 14.670 -2.519 36 HG2 GLU 27 2HG GLU 27 -0.685 15.059 -3.225 37 HG3 GLU 27 1HG GLU 27 -0.340 16.791 -3.230 38 H LYS 28 H LYS 28 2.848 14.409 -1.060 39 HA LYS 28 HA LYS 28 2.574 11.830 -0.169 40 HB2 LYS 28 2HB LYS 28 4.641 13.881 -0.241 41 HB3 LYS 28 1HB LYS 28 4.906 12.736 1.074 42 HG2 LYS 28 2HG LYS 28 5.454 11.072 -0.353 43 HG3 LYS 28 1HG LYS 28 4.078 11.419 -1.401 44 HD2 LYS 28 2HD LYS 28 5.510 13.531 -2.074 45 HD3 LYS 28 1HD LYS 28 6.854 12.550 -1.488 46 HE2 LYS 28 2HE LYS 28 5.189 10.879 -3.120 47 HE3 LYS 28 1HE LYS 28 5.549 12.367 -4.018 48 HZ1 LYS 28 3HZ LYS 28 7.666 11.028 -2.465 49 HZ2 LYS 28 1HZ LYS 28 7.814 12.066 -3.798 50 HZ3 LYS 28 2HZ LYS 28 7.282 10.468 -4.021 51 H LYS 29 H LYS 29 2.062 10.817 1.736 52 HA LYS 29 HA LYS 29 0.784 11.972 3.889 53 HB2 LYS 29 2HB LYS 29 1.325 9.500 3.191 54 HB3 LYS 29 1HB LYS 29 2.700 9.686 4.281 55 HG2 LYS 29 2HG LYS 29 1.190 8.992 5.851 56 HG3 LYS 29 1HG LYS 29 0.729 10.694 5.844 57 HD2 LYS 29 2HD LYS 29 -0.589 9.285 3.687 58 HD3 LYS 29 1HD LYS 29 -0.920 8.497 5.230 59 HE2 LYS 29 2HE LYS 29 -1.315 11.450 4.624 60 HE3 LYS 29 1HE LYS 29 -2.599 10.247 4.853 61 HZ1 LYS 29 3HZ LYS 29 -0.856 9.957 6.989 62 HZ2 LYS 29 1HZ LYS 29 -2.428 10.592 7.030 63 HZ3 LYS 29 2HZ LYS 29 -1.099 11.630 6.823 64 H LYS 30 H LYS 30 1.450 13.362 5.494 65 HA LYS 30 HA LYS 30 3.955 14.534 5.721 66 HB2 LYS 30 2HB LYS 30 3.095 15.300 7.849 67 HB3 LYS 30 1HB LYS 30 1.735 15.159 6.737 68 HG2 LYS 30 2HG LYS 30 0.747 13.845 8.276 69 HG3 LYS 30 1HG LYS 30 1.952 12.621 7.877 70 HD2 LYS 30 2HD LYS 30 3.240 13.082 9.735 71 HD3 LYS 30 1HD LYS 30 2.753 14.777 9.782 72 HE2 LYS 30 2HE LYS 30 0.572 14.187 10.688 73 HE3 LYS 30 1HE LYS 30 0.922 12.456 10.498 74 HZ1 LYS 30 3HZ LYS 30 2.018 14.372 12.416 75 HZ2 LYS 30 1HZ LYS 30 3.075 13.189 11.817 76 HZ3 LYS 30 2HZ LYS 30 1.651 12.726 12.620 77 H GLY 31 H GLY 31 5.857 14.005 6.872 78 HA2 GLY 31 2HA GLY 31 6.100 12.109 8.907 79 HA3 GLY 31 1HA GLY 31 6.432 11.298 7.384 80 HA PRO 32 HA PRO 32 10.299 13.316 8.965 81 HB2 PRO 32 2HB PRO 32 11.865 11.111 8.732 82 HB3 PRO 32 1HB PRO 32 10.943 11.515 10.200 83 HG2 PRO 32 2HG PRO 32 10.269 9.645 7.999 84 HG3 PRO 32 1HG PRO 32 10.086 9.447 9.748 85 HD2 PRO 32 2HD PRO 32 8.008 10.060 8.151 86 HD3 PRO 32 1HD PRO 32 8.136 10.668 9.819 87 H GLU 33 H GLU 33 12.332 13.626 7.677 88 HA GLU 33 HA GLU 33 11.768 13.502 4.834 89 HB2 GLU 33 2HB GLU 33 12.753 15.538 5.023 90 HB3 GLU 33 1HB GLU 33 12.968 15.163 6.734 91 HG2 GLU 33 2HG GLU 33 15.170 15.351 6.355 92 HG3 GLU 33 1HG GLU 33 15.072 13.800 5.545 93 H LYS 34 H LYS 34 12.799 11.425 6.779 94 HA LYS 34 HA LYS 34 15.324 10.450 6.004 95 HB2 LYS 34 2HB LYS 34 13.014 9.791 7.542 96 HB3 LYS 34 1HB LYS 34 13.550 8.372 6.683 97 HG2 LYS 34 2HG LYS 34 15.639 10.038 7.981 98 HG3 LYS 34 1HG LYS 34 14.584 9.118 9.051 99 HD2 LYS 34 2HD LYS 34 15.151 7.044 7.869 100 HD3 LYS 34 1HD LYS 34 16.169 7.949 6.746 101 HE2 LYS 34 2HE LYS 34 17.877 7.577 8.200 102 HE3 LYS 34 1HE LYS 34 17.072 8.725 9.287 103 HZ1 LYS 34 3HZ LYS 34 15.634 6.836 10.005 104 HZ2 LYS 34 1HZ LYS 34 17.262 6.678 10.455 105 HZ3 LYS 34 2HZ LYS 34 16.656 5.790 9.141 106 H THR 35 H THR 35 15.832 8.793 4.425 107 HA THR 35 HA THR 35 13.779 7.698 2.723 108 HB THR 35 HB THR 35 15.589 9.263 1.104 109 HG1 THR 35 1HG THR 35 15.414 11.037 2.185 110 HG21 THR 35 3HG2 THR 35 13.469 8.088 0.400 111 HG22 THR 35 1HG2 THR 35 13.585 9.773 -0.105 112 HG23 THR 35 2HG2 THR 35 12.582 9.333 1.278 113 H ASP 36 H ASP 36 17.163 8.065 3.486 114 HA ASP 36 HA ASP 36 17.878 5.878 1.607 115 HB2 ASP 36 2HB ASP 36 19.266 7.873 1.565 116 HB3 ASP 36 1HB ASP 36 19.489 7.781 3.313 117 H GLU 37 H GLU 37 18.950 6.672 4.831 118 HA GLU 37 HA GLU 37 19.432 3.975 5.613 119 HB2 GLU 37 2HB GLU 37 19.307 6.676 6.829 120 HB3 GLU 37 1HB GLU 37 19.123 5.325 7.948 121 HG2 GLU 37 2HG GLU 37 21.343 5.297 5.920 122 HG3 GLU 37 1HG GLU 37 21.530 6.212 7.415 123 H TYR 38 H TYR 38 16.623 5.812 5.259 124 HA TYR 38 HA TYR 38 14.981 4.497 7.246 125 HB2 TYR 38 2HB TYR 38 13.670 6.276 6.790 126 HB3 TYR 38 1HB TYR 38 15.010 6.846 5.813 127 HD1 TYR 38 1HD TYR 38 15.015 5.256 3.431 128 HD2 TYR 38 2HD TYR 38 11.688 6.672 5.732 129 HE1 TYR 38 1HE TYR 38 13.563 5.119 1.424 130 HE2 TYR 38 2HE TYR 38 10.231 6.544 3.731 131 HH TYR 38 HH TYR 38 11.297 5.014 0.788 132 H LEU 39 H LEU 39 15.946 3.785 4.009 133 HA LEU 39 HA LEU 39 13.830 2.353 2.925 134 HB2 LEU 39 2HB LEU 39 16.766 2.356 2.842 135 HB3 LEU 39 1HB LEU 39 16.062 0.806 2.413 136 HG LEU 39 HG LEU 39 16.110 1.837 0.351 137 HD11 LEU 39 1HD1 LEU 39 13.542 3.156 1.106 138 HD12 LEU 39 2HD1 LEU 39 13.662 1.401 1.241 139 HD13 LEU 39 3HD1 LEU 39 13.929 2.185 -0.316 140 HD21 LEU 39 3HD2 LEU 39 15.263 4.419 0.405 141 HD22 LEU 39 1HD2 LEU 39 16.954 3.936 0.544 142 HD23 LEU 39 2HD2 LEU 39 16.013 4.279 1.996 143 H LEU 40 H LEU 40 16.420 0.992 4.973 144 HA LEU 40 HA LEU 40 15.234 -1.548 5.357 145 HB2 LEU 40 2HB LEU 40 17.274 0.177 6.717 146 HB3 LEU 40 1HB LEU 40 16.821 -1.369 7.437 147 HG LEU 40 HG LEU 40 18.800 -1.358 5.783 148 HD11 LEU 40 1HD1 LEU 40 18.374 -3.571 5.849 149 HD12 LEU 40 2HD1 LEU 40 17.117 -3.376 4.626 150 HD13 LEU 40 3HD1 LEU 40 16.716 -3.219 6.337 151 HD21 LEU 40 3HD2 LEU 40 17.732 0.028 4.047 152 HD22 LEU 40 1HD2 LEU 40 16.473 -1.189 3.840 153 HD23 LEU 40 2HD2 LEU 40 18.139 -1.562 3.402 154 H ALA 41 H ALA 41 14.830 1.512 7.051 155 HA ALA 41 HA ALA 41 13.623 0.775 9.425 156 HB1 ALA 41 1HB ALA 41 13.995 3.063 8.049 157 HB2 ALA 41 2HB ALA 41 12.878 2.966 9.412 158 HB3 ALA 41 3HB ALA 41 12.267 2.848 7.761 159 H ARG 42 H ARG 42 12.245 0.712 6.164 160 HA ARG 42 HA ARG 42 9.678 -0.246 7.086 161 HB2 ARG 42 2HB ARG 42 10.925 0.489 4.459 162 HB3 ARG 42 1HB ARG 42 9.302 -0.192 4.552 163 HG2 ARG 42 2HG ARG 42 9.538 1.908 6.496 164 HG3 ARG 42 1HG ARG 42 10.075 2.516 4.932 165 HD2 ARG 42 2HD ARG 42 7.980 2.376 4.015 166 HD3 ARG 42 1HD ARG 42 7.597 0.873 4.877 167 HE ARG 42 HE ARG 42 7.468 3.604 6.082 168 HH11 ARG 42 1HH1 ARG 42 4.922 2.213 5.763 169 HH12 ARG 42 2HH1 ARG 42 4.712 1.397 7.277 170 HH21 ARG 42 1HH2 ARG 42 8.044 1.691 8.198 171 HH22 ARG 42 2HH2 ARG 42 6.480 1.105 8.657 172 H PHE 43 H PHE 43 12.625 -1.584 5.886 173 HA PHE 43 HA PHE 43 12.008 -3.856 4.483 174 HB2 PHE 43 2HB PHE 43 14.034 -2.982 6.410 175 HB3 PHE 43 1HB PHE 43 13.853 -4.728 6.350 176 HD1 PHE 43 1HD PHE 43 13.686 -1.975 3.791 177 HD2 PHE 43 2HD PHE 43 15.441 -5.711 4.979 178 HE1 PHE 43 1HE PHE 43 15.002 -2.026 1.690 179 HE2 PHE 43 2HE PHE 43 16.756 -5.763 2.878 180 HZ PHE 43 HZ PHE 43 16.538 -3.920 1.233 181 H LYS 44 H LYS 44 11.676 -3.495 8.041 182 HA LYS 44 HA LYS 44 10.792 -6.147 8.444 183 HB2 LYS 44 2HB LYS 44 10.894 -3.610 9.999 184 HB3 LYS 44 1HB LYS 44 10.108 -5.037 10.684 185 HG2 LYS 44 2HG LYS 44 12.493 -4.944 11.303 186 HG3 LYS 44 1HG LYS 44 12.133 -6.352 10.306 187 HD2 LYS 44 2HD LYS 44 13.061 -5.340 8.366 188 HD3 LYS 44 1HD LYS 44 13.150 -3.762 9.148 189 HE2 LYS 44 2HE LYS 44 14.602 -5.957 10.533 190 HE3 LYS 44 1HE LYS 44 15.288 -5.421 8.987 191 HZ1 LYS 44 3HZ LYS 44 15.772 -3.405 9.802 192 HZ2 LYS 44 1HZ LYS 44 15.636 -4.130 11.328 193 HZ3 LYS 44 2HZ LYS 44 14.317 -3.284 10.671 194 H GLY 45 H GLY 45 9.244 -4.091 6.669 195 HA2 GLY 45 2HA GLY 45 6.585 -4.173 7.906 196 HA3 GLY 45 1HA GLY 45 6.986 -3.406 6.379 197 H ASP 46 H ASP 46 6.737 -4.549 4.512 198 HA ASP 46 HA ASP 46 5.187 -7.006 4.656 199 HB2 ASP 46 2HB ASP 46 6.372 -5.883 2.140 200 HB3 ASP 46 1HB ASP 46 4.785 -6.591 2.410 201 H GLY 47 H GLY 47 7.927 -7.334 5.686 202 HA2 GLY 47 2HA GLY 47 9.236 -8.889 3.511 203 HA3 GLY 47 1HA GLY 47 10.011 -8.390 5.015 204 H VAL 48 H VAL 48 8.752 -9.252 6.965 205 HA VAL 48 HA VAL 48 9.086 -11.989 7.257 206 HB VAL 48 HB VAL 48 8.886 -10.847 9.263 207 HG11 VAL 48 1HG1 VAL 48 8.290 -8.683 8.812 208 HG12 VAL 48 2HG1 VAL 48 6.756 -9.241 9.482 209 HG13 VAL 48 3HG1 VAL 48 6.978 -9.162 7.734 210 HG21 VAL 48 3HG2 VAL 48 6.788 -11.291 10.349 211 HG22 VAL 48 1HG2 VAL 48 7.176 -12.648 9.291 212 HG23 VAL 48 2HG2 VAL 48 5.981 -11.451 8.788 213 H LYS 49 H LYS 49 6.120 -10.216 6.444 214 HA LYS 49 HA LYS 49 4.173 -12.115 6.535 215 HB2 LYS 49 2HB LYS 49 3.365 -10.905 4.391 216 HB3 LYS 49 1HB LYS 49 3.631 -9.954 5.850 217 HG2 LYS 49 2HG LYS 49 5.237 -8.750 4.862 218 HG3 LYS 49 1HG LYS 49 6.074 -10.184 4.299 219 HD2 LYS 49 2HD LYS 49 5.287 -8.741 2.416 220 HD3 LYS 49 1HD LYS 49 4.568 -10.350 2.375 221 HE2 LYS 49 2HE LYS 49 2.539 -9.460 3.513 222 HE3 LYS 49 1HE LYS 49 3.254 -7.836 3.471 223 HZ1 LYS 49 3HZ LYS 49 2.139 -9.410 1.313 224 HZ2 LYS 49 1HZ LYS 49 3.623 -8.675 0.946 225 HZ3 LYS 49 2HZ LYS 49 2.309 -7.726 1.452 226 H TYR 50 H TYR 50 6.116 -11.697 3.499 227 HA TYR 50 HA TYR 50 5.200 -14.300 2.616 228 HB2 TYR 50 2HB TYR 50 6.370 -13.622 0.593 229 HB3 TYR 50 1HB TYR 50 5.320 -12.340 1.178 230 HD1 TYR 50 1HD TYR 50 8.845 -13.522 1.738 231 HD2 TYR 50 2HD TYR 50 6.181 -10.220 1.103 232 HE1 TYR 50 1HE TYR 50 10.779 -11.973 1.746 233 HE2 TYR 50 2HE TYR 50 8.125 -8.667 1.092 234 HH TYR 50 HH TYR 50 10.851 -9.126 0.511 235 H LYS 51 H LYS 51 8.083 -12.885 4.046 236 HA LYS 51 HA LYS 51 9.996 -14.831 3.368 237 HB2 LYS 51 2HB LYS 51 9.529 -12.772 5.386 238 HB3 LYS 51 1HB LYS 51 10.509 -14.101 5.999 239 HG2 LYS 51 2HG LYS 51 11.202 -13.113 3.290 240 HG3 LYS 51 1HG LYS 51 11.557 -12.021 4.628 241 HD2 LYS 51 2HD LYS 51 12.979 -13.601 5.685 242 HD3 LYS 51 1HD LYS 51 12.371 -14.929 4.694 243 HE2 LYS 51 2HE LYS 51 14.515 -14.351 3.769 244 HE3 LYS 51 1HE LYS 51 13.317 -13.632 2.672 245 HZ1 LYS 51 3HZ LYS 51 14.691 -12.266 4.928 246 HZ2 LYS 51 1HZ LYS 51 13.448 -11.581 3.999 247 HZ3 LYS 51 2HZ LYS 51 14.933 -11.969 3.272 248 H ALA 52 H ALA 52 7.687 -14.750 5.965 249 HA ALA 52 HA ALA 52 8.317 -17.224 7.176 250 HB1 ALA 52 1HB ALA 52 5.533 -16.244 7.177 251 HB2 ALA 52 2HB ALA 52 6.757 -15.098 7.724 252 HB3 ALA 52 3HB ALA 52 6.571 -16.648 8.544 253 H LYS 53 H LYS 53 5.690 -16.338 5.070 254 HA LYS 53 HA LYS 53 4.598 -18.892 4.620 255 HB2 LYS 53 2HB LYS 53 4.620 -16.230 3.238 256 HB3 LYS 53 1HB LYS 53 3.802 -17.594 2.486 257 HG2 LYS 53 2HG LYS 53 3.085 -17.551 5.249 258 HG3 LYS 53 1HG LYS 53 2.852 -15.930 4.592 259 HD2 LYS 53 2HD LYS 53 1.025 -16.592 3.443 260 HD3 LYS 53 1HD LYS 53 1.917 -17.925 2.709 261 HE2 LYS 53 2HE LYS 53 -0.102 -18.568 4.189 262 HE3 LYS 53 1HE LYS 53 1.431 -19.386 4.556 263 HZ1 LYS 53 3HZ LYS 53 1.743 -18.184 6.430 264 HZ2 LYS 53 1HZ LYS 53 0.052 -18.063 6.394 265 HZ3 LYS 53 2HZ LYS 53 1.005 -16.789 5.801 266 H LEU 54 H LEU 54 6.787 -17.022 2.423 267 HA LEU 54 HA LEU 54 7.112 -18.896 0.438 268 HB2 LEU 54 2HB LEU 54 8.929 -16.920 1.743 269 HB3 LEU 54 1HB LEU 54 9.290 -17.708 0.196 270 HG LEU 54 HG LEU 54 6.849 -16.075 0.861 271 HD11 LEU 54 1HD1 LEU 54 8.049 -15.106 -1.411 272 HD12 LEU 54 2HD1 LEU 54 9.417 -15.577 -0.401 273 HD13 LEU 54 3HD1 LEU 54 8.220 -14.434 0.209 274 HD21 LEU 54 3HD2 LEU 54 7.490 -17.958 -1.375 275 HD22 LEU 54 1HD2 LEU 54 6.513 -16.528 -1.717 276 HD23 LEU 54 2HD2 LEU 54 5.966 -17.707 -0.525 277 H ILE 55 H ILE 55 8.473 -18.808 3.634 278 HA ILE 55 HA ILE 55 10.458 -20.789 3.328 279 HB ILE 55 HB ILE 55 9.210 -18.937 5.180 280 HG12 ILE 55 2HG1 ILE 55 11.321 -18.260 5.571 281 HG13 ILE 55 1HG1 ILE 55 12.017 -19.873 5.420 282 HG21 ILE 55 1HG2 ILE 55 10.161 -21.563 6.122 283 HG22 ILE 55 2HG2 ILE 55 8.674 -20.695 6.507 284 HG23 ILE 55 3HG2 ILE 55 10.221 -20.122 7.138 285 HD11 ILE 55 3HD1 ILE 55 10.796 -18.480 3.045 286 HD12 ILE 55 1HD1 ILE 55 12.008 -19.761 3.068 287 HD13 ILE 55 2HD1 ILE 55 12.452 -18.120 3.531 288 H GLY 56 H GLY 56 7.383 -20.710 5.104 289 HA2 GLY 56 2HA GLY 56 5.705 -22.459 4.912 290 HA3 GLY 56 1HA GLY 56 7.011 -23.542 4.541 291 H ILE 57 H ILE 57 6.595 -21.253 7.147 292 HA ILE 57 HA ILE 57 7.656 -22.965 9.118 293 HB ILE 57 HB ILE 57 7.172 -20.972 10.469 294 HG12 ILE 57 2HG1 ILE 57 6.396 -19.334 8.181 295 HG13 ILE 57 1HG1 ILE 57 5.174 -20.552 8.554 296 HG21 ILE 57 1HG2 ILE 57 8.937 -21.352 8.376 297 HG22 ILE 57 2HG2 ILE 57 9.050 -20.090 9.603 298 HG23 ILE 57 3HG2 ILE 57 8.260 -19.754 8.062 299 HD11 ILE 57 3HD1 ILE 57 5.550 -18.111 9.878 300 HD12 ILE 57 1HD1 ILE 57 6.206 -19.323 10.977 301 HD13 ILE 57 2HD1 ILE 57 4.538 -19.452 10.416 302 H ASP 58 H ASP 58 5.390 -21.460 10.540 303 HA ASP 58 HA ASP 58 2.949 -22.844 10.140 304 HB2 ASP 58 2HB ASP 58 4.737 -24.597 10.974 305 HB3 ASP 58 1HB ASP 58 4.391 -23.891 12.559 Start of MODEL 12 1 H SER 24 H SER 24 -3.441 22.572 -2.536 2 HA SER 24 HA SER 24 -3.639 24.659 -0.587 3 HB2 SER 24 2HB SER 24 -4.995 22.611 0.364 4 HB3 SER 24 1HB SER 24 -3.397 21.964 0.727 5 HG SER 24 HG SER 24 -4.691 24.254 1.715 6 H LYS 25 H LYS 25 -1.620 24.187 1.100 7 HA LYS 25 HA LYS 25 0.753 24.357 -0.352 8 HB2 LYS 25 2HB LYS 25 0.615 25.015 1.950 9 HB3 LYS 25 1HB LYS 25 0.129 23.393 2.445 10 HG2 LYS 25 2HG LYS 25 2.284 22.815 2.712 11 HG3 LYS 25 1HG LYS 25 2.599 23.189 1.017 12 HD2 LYS 25 2HD LYS 25 2.504 25.697 2.016 13 HD3 LYS 25 1HD LYS 25 3.091 24.836 3.439 14 HE2 LYS 25 2HE LYS 25 4.925 23.855 2.092 15 HE3 LYS 25 1HE LYS 25 4.347 24.750 0.672 16 HZ1 LYS 25 3HZ LYS 25 4.751 26.211 3.182 17 HZ2 LYS 25 1HZ LYS 25 4.900 26.756 1.583 18 HZ3 LYS 25 2HZ LYS 25 6.124 25.798 2.269 19 H LYS 26 H LYS 26 0.857 22.677 -1.981 20 HA LYS 26 HA LYS 26 0.528 19.911 -1.564 21 HB2 LYS 26 2HB LYS 26 2.339 21.487 -3.415 22 HB3 LYS 26 1HB LYS 26 1.976 19.771 -3.614 23 HG2 LYS 26 2HG LYS 26 -0.313 21.678 -3.322 24 HG3 LYS 26 1HG LYS 26 0.535 21.621 -4.869 25 HD2 LYS 26 2HD LYS 26 -0.822 19.868 -5.344 26 HD3 LYS 26 1HD LYS 26 0.226 18.946 -4.266 27 HE2 LYS 26 2HE LYS 26 -1.740 18.536 -3.146 28 HE3 LYS 26 1HE LYS 26 -1.452 20.147 -2.460 29 HZ1 LYS 26 3HZ LYS 26 -2.707 21.143 -4.215 30 HZ2 LYS 26 1HZ LYS 26 -3.663 19.921 -3.530 31 HZ3 LYS 26 2HZ LYS 26 -2.884 19.655 -5.016 32 H GLU 27 H GLU 27 3.094 18.870 -2.417 33 HA GLU 27 HA GLU 27 5.258 19.607 -0.774 34 HB2 GLU 27 2HB GLU 27 3.774 19.073 1.075 35 HB3 GLU 27 1HB GLU 27 3.375 17.517 0.348 36 HG2 GLU 27 2HG GLU 27 5.131 16.583 1.390 37 HG3 GLU 27 1HG GLU 27 6.212 17.689 0.540 38 H LYS 28 H LYS 28 6.283 18.957 -2.796 39 HA LYS 28 HA LYS 28 6.034 16.347 -3.917 40 HB2 LYS 28 2HB LYS 28 7.683 17.139 -5.395 41 HB3 LYS 28 1HB LYS 28 6.903 18.617 -4.843 42 HG2 LYS 28 2HG LYS 28 9.409 17.468 -3.578 43 HG3 LYS 28 1HG LYS 28 9.419 18.722 -4.816 44 HD2 LYS 28 2HD LYS 28 8.073 20.185 -3.369 45 HD3 LYS 28 1HD LYS 28 8.028 18.931 -2.130 46 HE2 LYS 28 2HE LYS 28 9.801 20.678 -1.717 47 HE3 LYS 28 1HE LYS 28 10.466 19.041 -1.879 48 HZ1 LYS 28 3HZ LYS 28 11.354 19.493 -3.887 49 HZ2 LYS 28 1HZ LYS 28 11.301 21.101 -3.351 50 HZ3 LYS 28 2HZ LYS 28 10.072 20.502 -4.358 51 H LYS 29 H LYS 29 7.652 17.427 -1.091 52 HA LYS 29 HA LYS 29 10.004 16.027 -0.874 53 HB2 LYS 29 2HB LYS 29 7.753 16.747 0.931 54 HB3 LYS 29 1HB LYS 29 8.949 15.620 1.569 55 HG2 LYS 29 2HG LYS 29 10.579 17.476 0.424 56 HG3 LYS 29 1HG LYS 29 9.224 18.493 0.913 57 HD2 LYS 29 2HD LYS 29 9.398 17.258 3.192 58 HD3 LYS 29 1HD LYS 29 11.004 16.779 2.639 59 HE2 LYS 29 2HE LYS 29 11.495 19.229 2.209 60 HE3 LYS 29 1HE LYS 29 9.966 19.605 3.028 61 HZ1 LYS 29 3HZ LYS 29 10.776 18.153 4.884 62 HZ2 LYS 29 1HZ LYS 29 11.633 19.605 4.692 63 HZ3 LYS 29 2HZ LYS 29 12.302 18.145 4.134 64 H LYS 30 H LYS 30 10.346 13.946 -1.605 65 HA LYS 30 HA LYS 30 8.467 11.898 -1.934 66 HB2 LYS 30 2HB LYS 30 11.427 12.119 -1.547 67 HB3 LYS 30 1HB LYS 30 10.701 10.511 -1.586 68 HG2 LYS 30 2HG LYS 30 10.296 10.629 -3.814 69 HG3 LYS 30 1HG LYS 30 9.706 12.287 -3.702 70 HD2 LYS 30 2HD LYS 30 12.264 12.827 -3.281 71 HD3 LYS 30 1HD LYS 30 12.501 11.296 -4.123 72 HE2 LYS 30 2HE LYS 30 12.517 12.990 -5.831 73 HE3 LYS 30 1HE LYS 30 10.912 12.237 -5.930 74 HZ1 LYS 30 3HZ LYS 30 9.957 13.955 -4.672 75 HZ2 LYS 30 1HZ LYS 30 10.953 14.750 -5.790 76 HZ3 LYS 30 2HZ LYS 30 11.465 14.563 -4.181 77 H GLY 31 H GLY 31 9.225 9.671 -0.556 78 HA2 GLY 31 2HA GLY 31 7.806 9.764 1.837 79 HA3 GLY 31 1HA GLY 31 8.993 8.522 1.464 80 HA PRO 32 HA PRO 32 10.464 10.928 5.121 81 HB2 PRO 32 2HB PRO 32 11.212 8.741 6.547 82 HB3 PRO 32 1HB PRO 32 9.577 9.443 6.604 83 HG2 PRO 32 2HG PRO 32 10.590 7.139 5.031 84 HG3 PRO 32 1HG PRO 32 9.079 7.312 5.937 85 HD2 PRO 32 2HD PRO 32 9.171 7.553 3.261 86 HD3 PRO 32 1HD PRO 32 8.055 8.518 4.258 87 H GLU 33 H GLU 33 12.716 11.203 5.763 88 HA GLU 33 HA GLU 33 14.579 10.251 3.766 89 HB2 GLU 33 2HB GLU 33 15.331 12.362 4.144 90 HB3 GLU 33 1HB GLU 33 14.072 12.482 5.377 91 HG2 GLU 33 2HG GLU 33 16.014 12.966 6.581 92 HG3 GLU 33 1HG GLU 33 15.756 11.257 6.921 93 H LYS 34 H LYS 34 13.406 8.953 6.262 94 HA LYS 34 HA LYS 34 15.547 8.078 7.925 95 HB2 LYS 34 2HB LYS 34 12.731 7.895 7.561 96 HB3 LYS 34 1HB LYS 34 13.361 6.288 7.828 97 HG2 LYS 34 2HG LYS 34 14.430 8.445 9.552 98 HG3 LYS 34 1HG LYS 34 12.752 7.978 9.830 99 HD2 LYS 34 2HD LYS 34 13.419 5.641 10.133 100 HD3 LYS 34 1HD LYS 34 15.097 6.054 9.773 101 HE2 LYS 34 2HE LYS 34 13.600 7.400 12.033 102 HE3 LYS 34 1HE LYS 34 14.479 5.878 12.270 103 HZ1 LYS 34 3HZ LYS 34 16.480 6.845 11.551 104 HZ2 LYS 34 1HZ LYS 34 15.808 7.990 12.607 105 HZ3 LYS 34 2HZ LYS 34 15.700 8.220 10.928 106 H THR 35 H THR 35 16.403 5.817 7.938 107 HA THR 35 HA THR 35 15.916 4.087 5.693 108 HB THR 35 HB THR 35 18.684 4.790 5.603 109 HG1 THR 35 1HG THR 35 18.122 6.902 4.588 110 HG21 THR 35 3HG2 THR 35 16.754 5.368 3.403 111 HG22 THR 35 1HG2 THR 35 16.992 3.692 3.897 112 HG23 THR 35 2HG2 THR 35 18.358 4.643 3.315 113 H ASP 36 H ASP 36 17.856 4.895 8.492 114 HA ASP 36 HA ASP 36 18.930 2.141 8.672 115 HB2 ASP 36 2HB ASP 36 20.510 3.878 9.098 116 HB3 ASP 36 1HB ASP 36 19.375 4.735 10.142 117 H GLU 37 H GLU 37 17.629 4.292 11.094 118 HA GLU 37 HA GLU 37 16.636 2.244 12.786 119 HB2 GLU 37 2HB GLU 37 16.209 5.192 12.409 120 HB3 GLU 37 1HB GLU 37 15.275 4.315 13.622 121 HG2 GLU 37 2HG GLU 37 17.035 4.290 15.030 122 HG3 GLU 37 1HG GLU 37 18.059 3.566 13.790 123 H TYR 38 H TYR 38 15.532 3.545 9.872 124 HA TYR 38 HA TYR 38 12.698 3.019 10.224 125 HB2 TYR 38 2HB TYR 38 12.644 4.473 8.508 126 HB3 TYR 38 1HB TYR 38 14.382 4.615 8.701 127 HD1 TYR 38 2HD TYR 38 15.503 2.174 7.634 128 HD2 TYR 38 1HD TYR 38 12.102 4.426 6.318 129 HE1 TYR 38 2HE TYR 38 15.775 1.267 5.330 130 HE2 TYR 38 1HE TYR 38 12.369 3.526 4.026 131 HH TYR 38 HH TYR 38 15.176 1.650 3.118 132 H LEU 39 H LEU 39 15.467 1.210 9.290 133 HA LEU 39 HA LEU 39 14.608 -0.687 7.469 134 HB2 LEU 39 2HB LEU 39 16.469 -0.478 9.713 135 HB3 LEU 39 1HB LEU 39 15.930 -2.124 9.448 136 HG LEU 39 HG LEU 39 17.141 -2.331 7.538 137 HD11 LEU 39 1HD1 LEU 39 17.417 -0.249 5.964 138 HD12 LEU 39 2HD1 LEU 39 16.094 0.418 6.922 139 HD13 LEU 39 3HD1 LEU 39 15.862 -1.081 6.023 140 HD21 LEU 39 3HD2 LEU 39 19.180 -1.332 7.790 141 HD22 LEU 39 1HD2 LEU 39 18.474 -0.831 9.327 142 HD23 LEU 39 2HD2 LEU 39 18.484 0.281 7.957 143 H LEU 40 H LEU 40 14.266 -0.984 11.021 144 HA LEU 40 HA LEU 40 12.577 -3.252 11.006 145 HB2 LEU 40 2HB LEU 40 13.227 -0.983 12.860 146 HB3 LEU 40 1HB LEU 40 11.995 -2.157 13.323 147 HG LEU 40 HG LEU 40 14.443 -2.627 14.027 148 HD11 LEU 40 1HD1 LEU 40 13.679 -4.736 14.332 149 HD12 LEU 40 2HD1 LEU 40 13.618 -5.029 12.595 150 HD13 LEU 40 3HD1 LEU 40 12.259 -4.252 13.406 151 HD21 LEU 40 3HD2 LEU 40 15.756 -3.835 12.297 152 HD22 LEU 40 1HD2 LEU 40 15.481 -2.150 11.850 153 HD23 LEU 40 2HD2 LEU 40 14.524 -3.430 11.102 154 H ALA 41 H ALA 41 11.848 0.218 10.890 155 HA ALA 41 HA ALA 41 9.122 0.314 11.299 156 HB1 ALA 41 1HB ALA 41 9.875 1.720 8.864 157 HB2 ALA 41 2HB ALA 41 11.141 1.857 10.084 158 HB3 ALA 41 3HB ALA 41 9.500 2.389 10.452 159 H ARG 42 H ARG 42 10.854 -0.950 8.505 160 HA ARG 42 HA ARG 42 8.428 -1.601 7.067 161 HB2 ARG 42 2HB ARG 42 11.359 -1.546 6.595 162 HB3 ARG 42 1HB ARG 42 10.373 -2.558 5.539 163 HG2 ARG 42 2HG ARG 42 8.860 -0.387 5.412 164 HG3 ARG 42 1HG ARG 42 10.364 0.421 5.857 165 HD2 ARG 42 2HD ARG 42 10.239 0.338 3.422 166 HD3 ARG 42 1HD ARG 42 11.482 -0.818 3.939 167 HE ARG 42 HE ARG 42 8.804 -1.981 3.801 168 HH11 ARG 42 1HH2 ARG 42 11.568 -3.246 3.246 169 HH12 ARG 42 2HH2 ARG 42 11.422 -3.578 1.552 170 HH21 ARG 42 1HH1 ARG 42 8.666 -1.518 1.116 171 HH22 ARG 42 2HH1 ARG 42 9.782 -2.597 0.345 172 H PHE 43 H PHE 43 10.612 -3.181 9.212 173 HA PHE 43 HA PHE 43 10.834 -5.794 8.471 174 HB2 PHE 43 2HB PHE 43 10.527 -4.277 10.945 175 HB3 PHE 43 1HB PHE 43 9.973 -5.933 11.109 176 HD1 PHE 43 1HD PHE 43 12.708 -4.435 9.031 177 HD2 PHE 43 2HD PHE 43 11.656 -7.128 12.209 178 HE1 PHE 43 1HE PHE 43 15.059 -5.215 9.151 179 HE2 PHE 43 2HE PHE 43 14.007 -7.908 12.329 180 HZ PHE 43 HZ PHE 43 15.709 -6.950 10.800 181 H LYS 44 H LYS 44 7.951 -4.714 10.339 182 HA LYS 44 HA LYS 44 6.498 -7.059 9.681 183 HB2 LYS 44 2HB LYS 44 6.033 -4.506 11.136 184 HB3 LYS 44 1HB LYS 44 4.687 -5.616 10.857 185 HG2 LYS 44 2HG LYS 44 5.812 -6.074 13.006 186 HG3 LYS 44 1HG LYS 44 5.947 -7.432 11.891 187 HD2 LYS 44 2HD LYS 44 8.201 -6.953 11.396 188 HD3 LYS 44 1HD LYS 44 8.087 -5.327 12.070 189 HE2 LYS 44 2HE LYS 44 7.852 -7.885 13.695 190 HE3 LYS 44 1HE LYS 44 9.293 -6.852 13.622 191 HZ1 LYS 44 3HZ LYS 44 6.796 -6.411 14.994 192 HZ2 LYS 44 1HZ LYS 44 7.300 -5.081 14.070 193 HZ3 LYS 44 2HZ LYS 44 8.321 -5.716 15.269 194 H GLY 45 H GLY 45 7.260 -4.870 7.614 195 HA2 GLY 45 2HA GLY 45 4.602 -4.230 6.511 196 HA3 GLY 45 1HA GLY 45 6.137 -3.622 5.911 197 H ASP 46 H ASP 46 7.145 -4.706 4.296 198 HA ASP 46 HA ASP 46 5.745 -7.078 3.181 199 HB2 ASP 46 2HB ASP 46 7.659 -5.988 1.365 200 HB3 ASP 46 1HB ASP 46 5.904 -5.949 1.253 201 H GLY 47 H GLY 47 7.150 -8.011 5.116 202 HA2 GLY 47 2HA GLY 47 9.549 -9.192 3.839 203 HA3 GLY 47 1HA GLY 47 9.764 -8.400 5.401 204 H VAL 48 H VAL 48 8.604 -9.248 7.203 205 HA VAL 48 HA VAL 48 8.755 -11.977 7.655 206 HB VAL 48 HB VAL 48 8.566 -10.644 9.563 207 HG11 VAL 48 1HG1 VAL 48 6.257 -9.125 9.469 208 HG12 VAL 48 2HG1 VAL 48 6.877 -9.011 7.824 209 HG13 VAL 48 3HG1 VAL 48 7.889 -8.529 9.184 210 HG21 VAL 48 3HG2 VAL 48 5.683 -11.336 9.070 211 HG22 VAL 48 1HG2 VAL 48 6.440 -11.028 10.632 212 HG23 VAL 48 2HG2 VAL 48 6.891 -12.458 9.700 213 H LYS 49 H LYS 49 5.887 -10.092 6.731 214 HA LYS 49 HA LYS 49 3.866 -11.906 6.861 215 HB2 LYS 49 2HB LYS 49 3.144 -10.721 4.652 216 HB3 LYS 49 1HB LYS 49 3.379 -9.767 6.112 217 HG2 LYS 49 2HG LYS 49 5.039 -8.590 5.165 218 HG3 LYS 49 1HG LYS 49 5.867 -10.054 4.644 219 HD2 LYS 49 2HD LYS 49 5.254 -8.777 2.669 220 HD3 LYS 49 1HD LYS 49 4.244 -10.219 2.737 221 HE2 LYS 49 2HE LYS 49 2.871 -8.255 4.243 222 HE3 LYS 49 1HE LYS 49 3.408 -7.456 2.751 223 HZ1 LYS 49 3HZ LYS 49 2.294 -8.932 1.437 224 HZ2 LYS 49 1HZ LYS 49 1.253 -8.932 2.776 225 HZ3 LYS 49 2HZ LYS 49 2.374 -10.192 2.574 226 H TYR 50 H TYR 50 5.848 -11.660 3.825 227 HA TYR 50 HA TYR 50 4.848 -14.292 3.056 228 HB2 TYR 50 2HB TYR 50 5.974 -13.680 0.966 229 HB3 TYR 50 1HB TYR 50 4.896 -12.406 1.524 230 HD1 TYR 50 1HD TYR 50 8.461 -13.501 1.934 231 HD2 TYR 50 2HD TYR 50 5.684 -10.263 1.528 232 HE1 TYR 50 1HE TYR 50 10.351 -11.894 1.937 233 HE2 TYR 50 2HE TYR 50 7.565 -8.647 1.527 234 HH TYR 50 HH TYR 50 9.913 -8.557 1.118 235 H LYS 51 H LYS 51 7.818 -12.835 4.283 236 HA LYS 51 HA LYS 51 9.772 -14.648 3.545 237 HB2 LYS 51 2HB LYS 51 9.183 -12.866 5.781 238 HB3 LYS 51 1HB LYS 51 10.241 -14.194 6.220 239 HG2 LYS 51 2HG LYS 51 10.833 -12.799 3.663 240 HG3 LYS 51 1HG LYS 51 11.196 -11.932 5.155 241 HD2 LYS 51 2HD LYS 51 12.557 -13.807 5.949 242 HD3 LYS 51 1HD LYS 51 12.151 -14.735 4.506 243 HE2 LYS 51 2HE LYS 51 13.108 -12.292 3.511 244 HE3 LYS 51 1HE LYS 51 14.208 -12.708 4.842 245 HZ1 LYS 51 3HZ LYS 51 13.425 -14.411 2.542 246 HZ2 LYS 51 1HZ LYS 51 14.202 -15.023 3.919 247 HZ3 LYS 51 2HZ LYS 51 14.984 -13.870 2.947 248 H ALA 52 H ALA 52 7.775 -14.918 6.386 249 HA ALA 52 HA ALA 52 8.458 -17.458 7.274 250 HB1 ALA 52 1HB ALA 52 6.729 -15.490 7.958 251 HB2 ALA 52 2HB ALA 52 6.702 -17.093 8.693 252 HB3 ALA 52 3HB ALA 52 5.608 -16.713 7.363 253 H LYS 53 H LYS 53 5.769 -16.623 5.232 254 HA LYS 53 HA LYS 53 4.912 -19.250 4.627 255 HB2 LYS 53 2HB LYS 53 4.563 -16.509 3.435 256 HB3 LYS 53 1HB LYS 53 3.749 -17.912 2.756 257 HG2 LYS 53 2HG LYS 53 3.357 -18.094 5.536 258 HG3 LYS 53 1HG LYS 53 3.079 -16.401 5.126 259 HD2 LYS 53 2HD LYS 53 1.551 -17.167 3.282 260 HD3 LYS 53 1HD LYS 53 1.733 -18.816 3.883 261 HE2 LYS 53 2HE LYS 53 0.755 -16.510 5.602 262 HE3 LYS 53 1HE LYS 53 -0.321 -17.657 4.781 263 HZ1 LYS 53 3HZ LYS 53 0.117 -18.510 6.951 264 HZ2 LYS 53 1HZ LYS 53 1.789 -18.287 6.775 265 HZ3 LYS 53 2HZ LYS 53 0.988 -19.465 5.848 266 H LEU 54 H LEU 54 6.785 -16.962 2.528 267 HA LEU 54 HA LEU 54 7.129 -18.543 0.321 268 HB2 LEU 54 2HB LEU 54 8.888 -16.611 1.762 269 HB3 LEU 54 1HB LEU 54 9.203 -17.178 0.113 270 HG LEU 54 HG LEU 54 6.744 -15.767 1.119 271 HD11 LEU 54 1HD1 LEU 54 9.142 -14.847 0.112 272 HD12 LEU 54 2HD1 LEU 54 7.630 -13.942 0.176 273 HD13 LEU 54 3HD1 LEU 54 8.067 -14.828 -1.285 274 HD21 LEU 54 3HD2 LEU 54 5.775 -17.284 -0.335 275 HD22 LEU 54 1HD2 LEU 54 7.229 -17.423 -1.323 276 HD23 LEU 54 2HD2 LEU 54 6.200 -15.996 -1.463 277 H ILE 55 H ILE 55 8.530 -18.904 3.457 278 HA ILE 55 HA ILE 55 10.725 -20.549 2.795 279 HB ILE 55 HB ILE 55 9.292 -19.262 4.950 280 HG12 ILE 55 2HG1 ILE 55 11.319 -18.531 5.571 281 HG13 ILE 55 1HG1 ILE 55 12.160 -20.006 5.090 282 HG21 ILE 55 1HG2 ILE 55 10.394 -20.763 6.649 283 HG22 ILE 55 2HG2 ILE 55 10.400 -21.958 5.348 284 HG23 ILE 55 3HG2 ILE 55 8.876 -21.262 5.905 285 HD11 ILE 55 3HD1 ILE 55 12.346 -17.754 3.667 286 HD12 ILE 55 1HD1 ILE 55 10.834 -18.350 2.981 287 HD13 ILE 55 2HD1 ILE 55 12.297 -19.330 2.875 288 H GLY 56 H GLY 56 7.645 -21.210 4.451 289 HA2 GLY 56 2HA GLY 56 6.285 -23.101 3.490 290 HA3 GLY 56 1HA GLY 56 7.798 -23.955 3.472 291 H ILE 57 H ILE 57 6.522 -21.929 5.994 292 HA ILE 57 HA ILE 57 7.043 -23.860 8.000 293 HB ILE 57 HB ILE 57 6.431 -21.951 9.386 294 HG12 ILE 57 2HG1 ILE 57 6.211 -20.099 7.126 295 HG13 ILE 57 1HG1 ILE 57 4.863 -21.231 7.202 296 HG21 ILE 57 1HG2 ILE 57 8.550 -21.350 9.008 297 HG22 ILE 57 2HG2 ILE 57 8.049 -20.505 7.540 298 HG23 ILE 57 3HG2 ILE 57 8.498 -22.210 7.468 299 HD11 ILE 57 3HD1 ILE 57 5.689 -19.130 9.163 300 HD12 ILE 57 1HD1 ILE 57 4.937 -20.600 9.785 301 HD13 ILE 57 2HD1 ILE 57 4.072 -19.589 8.627 302 H ASP 58 H ASP 58 4.643 -22.322 9.060 303 HA ASP 58 HA ASP 58 2.700 -24.475 8.759 304 HB2 ASP 58 2HB ASP 58 3.235 -23.546 10.964 305 HB3 ASP 58 1HB ASP 58 2.739 -21.938 10.415 Start of MODEL 13 1 H SER 24 H SER 24 -10.710 22.568 10.697 2 HA SER 24 HA SER 24 -12.316 23.168 12.990 3 HB2 SER 24 2HB SER 24 -14.175 23.637 11.655 4 HB3 SER 24 1HB SER 24 -13.701 22.477 10.417 5 HG SER 24 HG SER 24 -15.477 22.054 12.173 6 H LYS 25 H LYS 25 -10.385 21.681 13.421 7 HA LYS 25 HA LYS 25 -9.973 19.095 12.564 8 HB2 LYS 25 2HB LYS 25 -9.642 20.637 15.058 9 HB3 LYS 25 1HB LYS 25 -9.619 18.887 15.276 10 HG2 LYS 25 2HG LYS 25 -8.043 19.121 13.074 11 HG3 LYS 25 1HG LYS 25 -7.677 20.642 13.890 12 HD2 LYS 25 2HD LYS 25 -6.305 19.514 15.271 13 HD3 LYS 25 1HD LYS 25 -7.713 18.662 15.906 14 HE2 LYS 25 2HE LYS 25 -6.525 16.831 15.133 15 HE3 LYS 25 1HE LYS 25 -7.352 17.257 13.622 16 HZ1 LYS 25 3HZ LYS 25 -5.202 17.348 12.909 17 HZ2 LYS 25 1HZ LYS 25 -4.586 17.777 14.431 18 HZ3 LYS 25 2HZ LYS 25 -5.361 18.944 13.470 19 H LYS 26 H LYS 26 -11.442 17.456 12.294 20 HA LYS 26 HA LYS 26 -13.992 17.358 13.585 21 HB2 LYS 26 2HB LYS 26 -12.397 15.889 11.628 22 HB3 LYS 26 1HB LYS 26 -13.402 14.819 12.607 23 HG2 LYS 26 2HG LYS 26 -14.904 17.172 11.851 24 HG3 LYS 26 1HG LYS 26 -14.231 16.394 10.417 25 HD2 LYS 26 2HD LYS 26 -16.053 15.040 10.579 26 HD3 LYS 26 1HD LYS 26 -15.109 14.223 11.826 27 HE2 LYS 26 2HE LYS 26 -16.197 15.470 13.583 28 HE3 LYS 26 1HE LYS 26 -16.982 16.543 12.407 29 HZ1 LYS 26 3HZ LYS 26 -17.654 14.112 11.483 30 HZ2 LYS 26 1HZ LYS 26 -18.640 15.049 12.496 31 HZ3 LYS 26 2HZ LYS 26 -17.658 13.831 13.158 32 H GLU 27 H GLU 27 -12.524 17.626 15.786 33 HA GLU 27 HA GLU 27 -11.984 16.642 17.862 34 HB2 GLU 27 2HB GLU 27 -14.234 15.853 17.775 35 HB3 GLU 27 1HB GLU 27 -13.841 14.655 16.543 36 HG2 GLU 27 2HG GLU 27 -14.048 13.513 18.675 37 HG3 GLU 27 1HG GLU 27 -12.345 13.522 18.214 38 H LYS 28 H LYS 28 -10.602 14.987 18.819 39 HA LYS 28 HA LYS 28 -8.345 14.213 17.410 40 HB2 LYS 28 2HB LYS 28 -9.656 13.655 19.927 41 HB3 LYS 28 1HB LYS 28 -8.846 12.205 19.332 42 HG2 LYS 28 2HG LYS 28 -7.081 14.373 18.855 43 HG3 LYS 28 1HG LYS 28 -7.677 14.559 20.505 44 HD2 LYS 28 2HD LYS 28 -6.322 12.131 19.305 45 HD3 LYS 28 1HD LYS 28 -5.731 13.146 20.620 46 HE2 LYS 28 2HE LYS 28 -7.990 12.461 21.796 47 HE3 LYS 28 1HE LYS 28 -7.928 11.096 20.664 48 HZ1 LYS 28 3HZ LYS 28 -6.653 10.970 22.922 49 HZ2 LYS 28 1HZ LYS 28 -5.486 11.880 22.095 50 HZ3 LYS 28 2HZ LYS 28 -5.946 10.354 21.505 51 H LYS 29 H LYS 29 -8.942 13.335 15.310 52 HA LYS 29 HA LYS 29 -10.720 11.336 14.654 53 HB2 LYS 29 2HB LYS 29 -8.825 12.672 13.360 54 HB3 LYS 29 1HB LYS 29 -7.917 11.180 13.606 55 HG2 LYS 29 2HG LYS 29 -9.313 9.940 12.249 56 HG3 LYS 29 1HG LYS 29 -10.719 10.945 12.599 57 HD2 LYS 29 2HD LYS 29 -8.366 11.967 10.999 58 HD3 LYS 29 1HD LYS 29 -9.742 11.163 10.243 59 HE2 LYS 29 2HE LYS 29 -11.199 12.910 10.720 60 HE3 LYS 29 1HE LYS 29 -10.284 13.416 12.154 61 HZ1 LYS 29 3HZ LYS 29 -8.816 13.489 9.658 62 HZ2 LYS 29 1HZ LYS 29 -8.844 14.609 10.931 63 HZ3 LYS 29 2HZ LYS 29 -10.083 14.614 9.768 64 H LYS 30 H LYS 30 -10.847 9.108 14.988 65 HA LYS 30 HA LYS 30 -9.664 7.826 17.147 66 HB2 LYS 30 2HB LYS 30 -10.958 7.044 14.582 67 HB3 LYS 30 1HB LYS 30 -10.150 5.764 15.490 68 HG2 LYS 30 2HG LYS 30 -11.503 6.138 17.417 69 HG3 LYS 30 1HG LYS 30 -12.106 7.670 16.784 70 HD2 LYS 30 2HD LYS 30 -12.588 5.335 15.040 71 HD3 LYS 30 1HD LYS 30 -13.454 5.306 16.577 72 HE2 LYS 30 2HE LYS 30 -14.014 7.820 15.971 73 HE3 LYS 30 1HE LYS 30 -13.687 7.269 14.315 74 HZ1 LYS 30 3HZ LYS 30 -15.534 5.972 16.252 75 HZ2 LYS 30 1HZ LYS 30 -15.186 5.395 14.695 76 HZ3 LYS 30 2HZ LYS 30 -15.999 6.875 14.890 77 H GLY 31 H GLY 31 -8.047 6.001 17.107 78 HA2 GLY 31 2HA GLY 31 -5.802 5.386 16.824 79 HA3 GLY 31 1HA GLY 31 -6.244 5.366 15.120 80 HA PRO 32 HA PRO 32 -2.953 8.545 15.810 81 HB2 PRO 32 2HB PRO 32 -1.388 7.743 13.744 82 HB3 PRO 32 1HB PRO 32 -1.257 7.080 15.390 83 HG2 PRO 32 2HG PRO 32 -2.671 5.990 13.021 84 HG3 PRO 32 1HG PRO 32 -1.659 5.161 14.214 85 HD2 PRO 32 2HD PRO 32 -4.348 5.043 14.286 86 HD3 PRO 32 1HD PRO 32 -3.358 5.038 15.766 87 H GLU 33 H GLU 33 -2.358 10.308 14.247 88 HA GLU 33 HA GLU 33 -4.508 10.749 12.351 89 HB2 GLU 33 2HB GLU 33 -4.304 12.815 13.276 90 HB3 GLU 33 1HB GLU 33 -2.966 12.152 14.220 91 HG2 GLU 33 2HG GLU 33 -1.976 13.963 13.124 92 HG3 GLU 33 1HG GLU 33 -1.528 12.594 12.111 93 H LYS 34 H LYS 34 -1.838 9.263 12.210 94 HA LYS 34 HA LYS 34 -0.428 10.322 9.945 95 HB2 LYS 34 2HB LYS 34 -0.366 8.238 11.912 96 HB3 LYS 34 1HB LYS 34 0.107 7.628 10.353 97 HG2 LYS 34 2HG LYS 34 1.224 10.147 11.578 98 HG3 LYS 34 1HG LYS 34 1.995 8.570 11.749 99 HD2 LYS 34 2HD LYS 34 2.523 8.436 9.467 100 HD3 LYS 34 1HD LYS 34 1.290 9.614 9.018 101 HE2 LYS 34 2HE LYS 34 3.065 10.927 10.817 102 HE3 LYS 34 1HE LYS 34 4.057 10.099 9.599 103 HZ1 LYS 34 3HZ LYS 34 3.476 12.016 8.489 104 HZ2 LYS 34 1HZ LYS 34 1.945 12.113 9.212 105 HZ3 LYS 34 2HZ LYS 34 2.234 10.967 7.992 106 H THR 35 H THR 35 -0.645 9.659 7.790 107 HA THR 35 HA THR 35 -2.134 7.336 7.007 108 HB THR 35 HB THR 35 -3.493 9.637 5.921 109 HG1 THR 35 1HG THR 35 -3.028 10.474 7.981 110 HG21 THR 35 3HG2 THR 35 -4.577 7.377 7.599 111 HG22 THR 35 1HG2 THR 35 -4.204 7.207 5.883 112 HG23 THR 35 2HG2 THR 35 -5.449 8.342 6.407 113 H ASP 36 H ASP 36 -0.511 10.299 6.141 114 HA ASP 36 HA ASP 36 -0.307 9.427 3.306 115 HB2 ASP 36 2HB ASP 36 -0.577 11.896 4.668 116 HB3 ASP 36 1HB ASP 36 1.019 11.897 3.918 117 H GLU 37 H GLU 37 1.911 11.018 5.472 118 HA GLU 37 HA GLU 37 4.251 9.827 4.357 119 HB2 GLU 37 2HB GLU 37 3.465 11.526 6.640 120 HB3 GLU 37 1HB GLU 37 4.950 10.607 6.883 121 HG2 GLU 37 2HG GLU 37 5.052 11.654 4.249 122 HG3 GLU 37 1HG GLU 37 4.552 12.975 5.304 123 H TYR 38 H TYR 38 1.835 8.708 6.425 124 HA TYR 38 HA TYR 38 3.366 6.800 7.961 125 HB2 TYR 38 2HB TYR 38 1.431 6.813 9.128 126 HB3 TYR 38 1HB TYR 38 0.919 8.089 8.034 127 HD1 TYR 38 2HD TYR 38 0.275 6.886 5.548 128 HD2 TYR 38 1HD TYR 38 -0.218 5.303 9.499 129 HE1 TYR 38 2HE TYR 38 -1.537 5.397 4.729 130 HE2 TYR 38 1HE TYR 38 -2.032 3.815 8.693 131 HH TYR 38 HH TYR 38 -2.660 3.355 5.331 132 H LEU 39 H LEU 39 1.974 6.848 4.802 133 HA LEU 39 HA LEU 39 1.364 4.186 4.268 134 HB2 LEU 39 2HB LEU 39 2.314 6.572 2.842 135 HB3 LEU 39 1HB LEU 39 2.733 5.067 2.038 136 HG LEU 39 HG LEU 39 0.645 5.529 1.134 137 HD11 LEU 39 1HD1 LEU 39 -0.366 4.084 3.559 138 HD12 LEU 39 2HD1 LEU 39 0.764 3.294 2.459 139 HD13 LEU 39 3HD1 LEU 39 -0.801 3.849 1.865 140 HD21 LEU 39 3HD2 LEU 39 0.267 6.923 3.686 141 HD22 LEU 39 1HD2 LEU 39 -1.195 6.149 3.072 142 HD23 LEU 39 2HD2 LEU 39 -0.340 7.332 2.081 143 H LEU 40 H LEU 40 4.539 5.753 3.805 144 HA LEU 40 HA LEU 40 6.009 3.395 3.270 145 HB2 LEU 40 2HB LEU 40 6.562 6.178 4.248 146 HB3 LEU 40 1HB LEU 40 7.882 5.014 4.129 147 HG LEU 40 HG LEU 40 7.394 6.507 2.071 148 HD11 LEU 40 1HD1 LEU 40 7.687 4.398 0.559 149 HD12 LEU 40 2HD1 LEU 40 7.718 3.513 2.084 150 HD13 LEU 40 3HD1 LEU 40 8.930 4.753 1.758 151 HD21 LEU 40 3HD2 LEU 40 5.668 5.546 0.548 152 HD22 LEU 40 1HD2 LEU 40 4.963 6.212 2.020 153 HD23 LEU 40 2HD2 LEU 40 5.157 4.468 1.846 154 H ALA 41 H ALA 41 5.192 5.009 6.310 155 HA ALA 41 HA ALA 41 6.863 3.838 8.158 156 HB1 ALA 41 1HB ALA 41 3.963 3.689 8.777 157 HB2 ALA 41 2HB ALA 41 4.527 5.249 8.178 158 HB3 ALA 41 3HB ALA 41 5.245 4.550 9.630 159 H ARG 42 H ARG 42 4.157 2.322 6.456 160 HA ARG 42 HA ARG 42 4.506 -0.211 7.800 161 HB2 ARG 42 2HB ARG 42 2.686 0.845 5.653 162 HB3 ARG 42 1HB ARG 42 2.538 -0.767 6.352 163 HG2 ARG 42 2HG ARG 42 1.766 0.032 8.375 164 HG3 ARG 42 1HG ARG 42 2.668 1.541 8.238 165 HD2 ARG 42 2HD ARG 42 0.426 2.225 7.903 166 HD3 ARG 42 1HD ARG 42 1.027 2.032 6.242 167 HE ARG 42 HE ARG 42 0.133 -0.422 6.552 168 HH11 ARG 42 1HH1 ARG 42 -1.099 0.685 9.210 169 HH12 ARG 42 2HH1 ARG 42 -2.750 0.853 8.716 170 HH21 ARG 42 1HH2 ARG 42 -2.048 0.544 5.335 171 HH22 ARG 42 2HH2 ARG 42 -3.289 0.769 6.523 172 H PHE 43 H PHE 43 5.538 1.288 4.870 173 HA PHE 43 HA PHE 43 5.754 -0.663 2.959 174 HB2 PHE 43 2HB PHE 43 7.315 1.665 3.857 175 HB3 PHE 43 1HB PHE 43 8.230 0.520 2.894 176 HD1 PHE 43 2HD PHE 43 4.627 1.530 2.771 177 HD2 PHE 43 1HD PHE 43 8.403 1.401 0.726 178 HE1 PHE 43 2HE PHE 43 3.546 2.404 0.718 179 HE2 PHE 43 1HE PHE 43 7.321 2.278 -1.326 180 HZ PHE 43 HZ PHE 43 4.893 2.779 -1.329 181 H LYS 44 H LYS 44 8.083 -0.258 5.668 182 HA LYS 44 HA LYS 44 9.584 -2.554 4.998 183 HB2 LYS 44 2HB LYS 44 9.377 -0.624 7.251 184 HB3 LYS 44 1HB LYS 44 10.426 -2.038 7.410 185 HG2 LYS 44 2HG LYS 44 11.622 -0.073 6.481 186 HG3 LYS 44 1HG LYS 44 11.598 -1.442 5.371 187 HD2 LYS 44 2HD LYS 44 9.848 -0.458 4.064 188 HD3 LYS 44 1HD LYS 44 9.599 0.819 5.257 189 HE2 LYS 44 2HE LYS 44 10.922 1.730 3.409 190 HE3 LYS 44 1HE LYS 44 11.981 1.574 4.823 191 HZ1 LYS 44 3HZ LYS 44 12.106 0.191 2.330 192 HZ2 LYS 44 1HZ LYS 44 12.007 -0.900 3.624 193 HZ3 LYS 44 2HZ LYS 44 13.253 0.254 3.582 194 H GLY 45 H GLY 45 6.583 -2.712 5.839 195 HA2 GLY 45 2HA GLY 45 6.813 -4.734 7.981 196 HA3 GLY 45 1HA GLY 45 5.309 -4.001 7.430 197 H ASP 46 H ASP 46 6.585 -4.537 4.663 198 HA ASP 46 HA ASP 46 5.199 -7.088 4.241 199 HB2 ASP 46 2HB ASP 46 6.730 -5.822 2.037 200 HB3 ASP 46 1HB ASP 46 5.062 -6.379 2.079 201 H GLY 47 H GLY 47 7.408 -7.553 5.856 202 HA2 GLY 47 2HA GLY 47 9.419 -8.719 3.971 203 HA3 GLY 47 1HA GLY 47 9.786 -8.243 5.630 204 H VAL 48 H VAL 48 8.552 -9.393 7.301 205 HA VAL 48 HA VAL 48 8.936 -12.141 7.340 206 HB VAL 48 HB VAL 48 8.587 -11.192 9.434 207 HG11 VAL 48 1HG1 VAL 48 6.710 -9.442 7.948 208 HG12 VAL 48 2HG1 VAL 48 7.922 -9.022 9.160 209 HG13 VAL 48 3HG1 VAL 48 6.372 -9.702 9.659 210 HG21 VAL 48 3HG2 VAL 48 6.690 -12.090 10.365 211 HG22 VAL 48 1HG2 VAL 48 6.776 -13.001 8.857 212 HG23 VAL 48 2HG2 VAL 48 5.682 -11.623 8.993 213 H LYS 49 H LYS 49 6.029 -10.328 6.464 214 HA LYS 49 HA LYS 49 4.053 -12.171 6.328 215 HB2 LYS 49 2HB LYS 49 3.480 -10.857 4.131 216 HB3 LYS 49 1HB LYS 49 3.539 -10.016 5.674 217 HG2 LYS 49 2HG LYS 49 5.323 -8.772 5.060 218 HG3 LYS 49 1HG LYS 49 6.143 -10.148 4.327 219 HD2 LYS 49 2HD LYS 49 5.518 -8.385 2.663 220 HD3 LYS 49 1HD LYS 49 4.777 -9.948 2.319 221 HE2 LYS 49 2HE LYS 49 2.697 -9.188 3.476 222 HE3 LYS 49 1HE LYS 49 3.438 -7.589 3.691 223 HZ1 LYS 49 3HZ LYS 49 2.067 -8.316 1.501 224 HZ2 LYS 49 1HZ LYS 49 3.650 -8.696 1.023 225 HZ3 LYS 49 2HZ LYS 49 3.269 -7.115 1.516 226 H TYR 50 H TYR 50 6.211 -11.714 3.440 227 HA TYR 50 HA TYR 50 5.295 -14.324 2.511 228 HB2 TYR 50 2HB TYR 50 6.429 -13.609 0.481 229 HB3 TYR 50 1HB TYR 50 5.321 -12.381 1.069 230 HD1 TYR 50 1HD TYR 50 8.904 -13.395 1.558 231 HD2 TYR 50 2HD TYR 50 6.067 -10.222 1.030 232 HE1 TYR 50 1HE TYR 50 10.761 -11.746 1.551 233 HE2 TYR 50 2HE TYR 50 7.922 -8.568 1.008 234 HH TYR 50 HH TYR 50 11.056 -9.313 2.031 235 H LYS 51 H LYS 51 8.192 -12.856 3.883 236 HA LYS 51 HA LYS 51 10.087 -14.810 3.122 237 HB2 LYS 51 2HB LYS 51 9.712 -12.711 5.129 238 HB3 LYS 51 1HB LYS 51 10.784 -14.004 5.664 239 HG2 LYS 51 2HG LYS 51 11.172 -12.980 2.895 240 HG3 LYS 51 1HG LYS 51 11.684 -11.930 4.217 241 HD2 LYS 51 2HD LYS 51 12.563 -14.791 3.739 242 HD3 LYS 51 1HD LYS 51 13.555 -13.343 3.555 243 HE2 LYS 51 2HE LYS 51 14.168 -13.643 5.725 244 HE3 LYS 51 1HE LYS 51 12.518 -13.161 6.161 245 HZ1 LYS 51 3HZ LYS 51 13.661 -15.838 5.912 246 HZ2 LYS 51 1HZ LYS 51 12.057 -15.636 5.398 247 HZ3 LYS 51 2HZ LYS 51 12.490 -15.258 6.996 248 H ALA 52 H ALA 52 7.859 -14.675 5.773 249 HA ALA 52 HA ALA 52 8.624 -17.091 7.057 250 HB1 ALA 52 1HB ALA 52 6.185 -15.338 7.081 251 HB2 ALA 52 2HB ALA 52 7.487 -15.371 8.271 252 HB3 ALA 52 3HB ALA 52 6.361 -16.723 8.159 253 H LYS 53 H LYS 53 5.834 -16.245 5.168 254 HA LYS 53 HA LYS 53 4.672 -18.797 4.928 255 HB2 LYS 53 2HB LYS 53 4.608 -16.213 3.387 256 HB3 LYS 53 1HB LYS 53 3.632 -17.586 2.884 257 HG2 LYS 53 2HG LYS 53 2.951 -17.627 5.444 258 HG3 LYS 53 1HG LYS 53 3.423 -15.930 5.362 259 HD2 LYS 53 2HD LYS 53 1.810 -15.457 3.672 260 HD3 LYS 53 1HD LYS 53 1.521 -17.170 3.366 261 HE2 LYS 53 2HE LYS 53 0.893 -17.107 5.991 262 HE3 LYS 53 1HE LYS 53 0.469 -15.441 5.551 263 HZ1 LYS 53 3HZ LYS 53 -0.849 -16.239 3.736 264 HZ2 LYS 53 1HZ LYS 53 -1.354 -17.043 5.140 265 HZ3 LYS 53 2HZ LYS 53 -0.366 -17.844 4.014 266 H LEU 54 H LEU 54 6.706 -17.045 2.497 267 HA LEU 54 HA LEU 54 6.848 -18.965 0.537 268 HB2 LEU 54 2HB LEU 54 8.787 -17.007 1.683 269 HB3 LEU 54 1HB LEU 54 9.044 -17.842 0.140 270 HG LEU 54 HG LEU 54 6.649 -16.171 0.888 271 HD11 LEU 54 1HD1 LEU 54 8.826 -15.041 0.315 272 HD12 LEU 54 2HD1 LEU 54 7.457 -14.626 -0.719 273 HD13 LEU 54 3HD1 LEU 54 8.681 -15.764 -1.286 274 HD21 LEU 54 3HD2 LEU 54 7.136 -18.203 -1.194 275 HD22 LEU 54 1HD2 LEU 54 6.425 -16.697 -1.774 276 HD23 LEU 54 2HD2 LEU 54 5.616 -17.626 -0.513 277 H ILE 55 H ILE 55 8.415 -18.877 3.639 278 HA ILE 55 HA ILE 55 10.345 -20.892 3.215 279 HB ILE 55 HB ILE 55 9.266 -19.003 5.126 280 HG12 ILE 55 2HG1 ILE 55 11.411 -18.406 5.406 281 HG13 ILE 55 1HG1 ILE 55 12.040 -20.044 5.229 282 HG21 ILE 55 1HG2 ILE 55 10.340 -20.215 7.037 283 HG22 ILE 55 2HG2 ILE 55 10.160 -21.659 6.036 284 HG23 ILE 55 3HG2 ILE 55 8.739 -20.724 6.506 285 HD11 ILE 55 3HD1 ILE 55 10.722 -18.716 2.887 286 HD12 ILE 55 1HD1 ILE 55 12.013 -19.918 2.905 287 HD13 ILE 55 2HD1 ILE 55 12.367 -18.238 3.310 288 H GLY 56 H GLY 56 7.379 -20.767 5.166 289 HA2 GLY 56 2HA GLY 56 5.676 -22.481 5.137 290 HA3 GLY 56 1HA GLY 56 6.906 -23.577 4.588 291 H ILE 57 H ILE 57 6.779 -21.392 7.310 292 HA ILE 57 HA ILE 57 8.055 -23.146 9.095 293 HB ILE 57 HB ILE 57 7.595 -21.240 10.586 294 HG12 ILE 57 2HG1 ILE 57 6.472 -19.716 8.285 295 HG13 ILE 57 1HG1 ILE 57 5.370 -20.832 9.094 296 HG21 ILE 57 1HG2 ILE 57 9.204 -21.456 8.352 297 HG22 ILE 57 2HG2 ILE 57 9.361 -20.241 9.622 298 HG23 ILE 57 3HG2 ILE 57 8.442 -19.878 8.159 299 HD11 ILE 57 3HD1 ILE 57 6.680 -18.365 10.149 300 HD12 ILE 57 1HD1 ILE 57 6.406 -19.695 11.273 301 HD13 ILE 57 2HD1 ILE 57 5.045 -18.969 10.418 302 H ASP 58 H ASP 58 5.871 -21.815 10.790 303 HA ASP 58 HA ASP 58 4.581 -23.990 11.905 304 HB2 ASP 58 2HB ASP 58 4.514 -21.700 12.786 305 HB3 ASP 58 1HB ASP 58 3.506 -21.192 11.421 Start of MODEL 14 1 H SER 24 H SER 24 -7.491 -16.021 34.052 2 HA SER 24 HA SER 24 -5.876 -18.091 35.195 3 HB2 SER 24 2HB SER 24 -8.265 -18.969 33.545 4 HB3 SER 24 1HB SER 24 -6.910 -20.020 33.946 5 HG SER 24 HG SER 24 -8.859 -19.982 35.385 6 H LYS 25 H LYS 25 -7.500 -17.141 32.150 7 HA LYS 25 HA LYS 25 -5.726 -17.957 30.215 8 HB2 LYS 25 2HB LYS 25 -7.285 -15.413 30.637 9 HB3 LYS 25 1HB LYS 25 -6.348 -15.656 29.161 10 HG2 LYS 25 2HG LYS 25 -7.631 -17.521 28.507 11 HG3 LYS 25 1HG LYS 25 -8.271 -17.764 30.133 12 HD2 LYS 25 2HD LYS 25 -10.092 -16.743 29.126 13 HD3 LYS 25 1HD LYS 25 -9.246 -15.327 29.753 14 HE2 LYS 25 2HE LYS 25 -8.045 -15.201 27.496 15 HE3 LYS 25 1HE LYS 25 -9.233 -16.384 26.913 16 HZ1 LYS 25 3HZ LYS 25 -10.893 -14.787 28.096 17 HZ2 LYS 25 1HZ LYS 25 -10.346 -14.429 26.531 18 HZ3 LYS 25 2HZ LYS 25 -9.664 -13.637 27.870 19 H LYS 26 H LYS 26 -3.788 -17.075 29.281 20 HA LYS 26 HA LYS 26 -1.759 -16.225 31.016 21 HB2 LYS 26 2HB LYS 26 -0.617 -15.611 28.854 22 HB3 LYS 26 1HB LYS 26 -1.356 -17.213 28.839 23 HG2 LYS 26 2HG LYS 26 -3.245 -15.150 28.022 24 HG3 LYS 26 1HG LYS 26 -1.816 -15.174 26.989 25 HD2 LYS 26 2HD LYS 26 -2.885 -17.841 27.662 26 HD3 LYS 26 1HD LYS 26 -3.960 -16.846 26.679 27 HE2 LYS 26 2HE LYS 26 -2.704 -17.371 24.869 28 HE3 LYS 26 1HE LYS 26 -1.337 -16.522 25.616 29 HZ1 LYS 26 3HZ LYS 26 -0.605 -18.720 25.400 30 HZ2 LYS 26 1HZ LYS 26 -2.094 -19.369 25.886 31 HZ3 LYS 26 2HZ LYS 26 -1.089 -18.606 27.024 32 H GLU 27 H GLU 27 -1.126 -14.225 31.785 33 HA GLU 27 HA GLU 27 -2.797 -11.993 31.849 34 HB2 GLU 27 2HB GLU 27 -0.764 -12.593 33.253 35 HB3 GLU 27 1HB GLU 27 0.227 -11.968 31.933 36 HG2 GLU 27 2HG GLU 27 0.024 -9.973 33.000 37 HG3 GLU 27 1HG GLU 27 -1.586 -9.935 32.280 38 H LYS 28 H LYS 28 -3.533 -11.004 29.959 39 HA LYS 28 HA LYS 28 -2.105 -10.869 27.504 40 HB2 LYS 28 2HB LYS 28 -4.635 -10.370 28.420 41 HB3 LYS 28 1HB LYS 28 -4.051 -8.735 28.111 42 HG2 LYS 28 2HG LYS 28 -3.323 -10.592 25.976 43 HG3 LYS 28 1HG LYS 28 -5.069 -10.483 26.203 44 HD2 LYS 28 2HD LYS 28 -5.146 -8.387 25.363 45 HD3 LYS 28 1HD LYS 28 -3.765 -7.868 26.331 46 HE2 LYS 28 2HE LYS 28 -3.185 -9.708 24.050 47 HE3 LYS 28 1HE LYS 28 -3.610 -8.032 23.653 48 HZ1 LYS 28 3HZ LYS 28 -2.005 -7.668 25.750 49 HZ2 LYS 28 1HZ LYS 28 -1.455 -7.654 24.146 50 HZ3 LYS 28 2HZ LYS 28 -1.300 -9.063 25.083 51 H LYS 29 H LYS 29 -0.001 -9.972 27.782 52 HA LYS 29 HA LYS 29 0.839 -7.829 29.307 53 HB2 LYS 29 2HB LYS 29 2.089 -9.404 27.701 54 HB3 LYS 29 1HB LYS 29 1.678 -8.243 26.437 55 HG2 LYS 29 2HG LYS 29 2.689 -6.455 27.982 56 HG3 LYS 29 1HG LYS 29 3.374 -7.798 28.897 57 HD2 LYS 29 2HD LYS 29 3.951 -8.414 26.233 58 HD3 LYS 29 1HD LYS 29 4.234 -6.677 26.351 59 HE2 LYS 29 2HE LYS 29 5.879 -6.932 28.027 60 HE3 LYS 29 1HE LYS 29 5.324 -8.565 28.446 61 HZ1 LYS 29 3HZ LYS 29 5.816 -8.852 25.846 62 HZ2 LYS 29 1HZ LYS 29 6.967 -9.181 27.047 63 HZ3 LYS 29 2HZ LYS 29 6.995 -7.690 26.232 64 H LYS 30 H LYS 30 0.988 -5.538 28.934 65 HA LYS 30 HA LYS 30 -1.262 -4.361 27.572 66 HB2 LYS 30 2HB LYS 30 1.126 -3.457 29.146 67 HB3 LYS 30 1HB LYS 30 0.150 -2.259 28.295 68 HG2 LYS 30 2HG LYS 30 -1.879 -3.144 29.446 69 HG3 LYS 30 1HG LYS 30 -0.847 -4.249 30.355 70 HD2 LYS 30 2HD LYS 30 0.408 -2.301 31.254 71 HD3 LYS 30 1HD LYS 30 -0.692 -1.221 30.398 72 HE2 LYS 30 2HE LYS 30 -2.121 -1.337 32.150 73 HE3 LYS 30 1HE LYS 30 -2.287 -3.083 31.875 74 HZ1 LYS 30 3HZ LYS 30 -0.363 -1.660 33.599 75 HZ2 LYS 30 1HZ LYS 30 0.021 -3.191 32.979 76 HZ3 LYS 30 2HZ LYS 30 -1.344 -2.997 33.971 77 H GLY 31 H GLY 31 -1.085 -4.624 25.302 78 HA2 GLY 31 2HA GLY 31 1.131 -4.613 23.681 79 HA3 GLY 31 1HA GLY 31 -0.396 -3.907 23.166 80 HA PRO 32 HA PRO 32 3.011 -0.690 23.678 81 HB2 PRO 32 2HB PRO 32 3.495 -0.202 21.057 82 HB3 PRO 32 1HB PRO 32 4.384 -1.416 22.008 83 HG2 PRO 32 2HG PRO 32 2.120 -1.772 20.136 84 HG3 PRO 32 1HG PRO 32 3.578 -2.750 20.351 85 HD2 PRO 32 2HD PRO 32 1.161 -3.460 21.351 86 HD3 PRO 32 1HD PRO 32 2.700 -3.906 22.123 87 H GLU 33 H GLU 33 2.487 1.554 23.522 88 HA GLU 33 HA GLU 33 -0.163 2.137 22.474 89 HB2 GLU 33 2HB GLU 33 -0.250 3.241 24.465 90 HB3 GLU 33 1HB GLU 33 1.404 2.682 24.729 91 HG2 GLU 33 2HG GLU 33 2.337 4.643 23.742 92 HG3 GLU 33 1HG GLU 33 0.761 5.175 23.160 93 H LYS 34 H LYS 34 2.653 2.056 21.308 94 HA LYS 34 HA LYS 34 3.237 4.587 20.139 95 HB2 LYS 34 2HB LYS 34 4.134 1.878 20.286 96 HB3 LYS 34 1HB LYS 34 4.242 2.444 18.639 97 HG2 LYS 34 2HG LYS 34 5.135 4.366 20.689 98 HG3 LYS 34 1HG LYS 34 6.126 2.913 20.558 99 HD2 LYS 34 2HD LYS 34 6.348 3.308 18.117 100 HD3 LYS 34 1HD LYS 34 5.417 4.797 18.291 101 HE2 LYS 34 2HE LYS 34 7.915 5.169 18.292 102 HE3 LYS 34 1HE LYS 34 7.129 5.728 19.782 103 HZ1 LYS 34 3HZ LYS 34 9.173 4.117 19.895 104 HZ2 LYS 34 1HZ LYS 34 7.996 2.930 19.604 105 HZ3 LYS 34 2HZ LYS 34 7.868 3.935 20.969 106 H THR 35 H THR 35 2.864 5.211 17.901 107 HA THR 35 HA THR 35 1.287 3.553 16.145 108 HB THR 35 HB THR 35 -0.152 6.013 16.738 109 HG1 THR 35 1HG THR 35 -0.233 5.724 18.798 110 HG21 THR 35 3HG2 THR 35 -1.101 4.355 15.263 111 HG22 THR 35 1HG2 THR 35 -2.072 4.400 16.734 112 HG23 THR 35 2HG2 THR 35 -0.905 3.101 16.487 113 H ASP 36 H ASP 36 2.830 6.616 16.797 114 HA ASP 36 HA ASP 36 2.617 7.374 13.927 115 HB2 ASP 36 2HB ASP 36 2.001 9.035 15.654 116 HB3 ASP 36 1HB ASP 36 3.608 8.872 16.363 117 H GLU 37 H GLU 37 5.115 7.739 16.332 118 HA GLU 37 HA GLU 37 7.283 7.512 14.507 119 HB2 GLU 37 2HB GLU 37 6.828 7.459 17.449 120 HB3 GLU 37 1HB GLU 37 8.380 6.851 16.872 121 HG2 GLU 37 2HG GLU 37 8.280 9.095 15.414 122 HG3 GLU 37 1HG GLU 37 7.266 9.618 16.760 123 H TYR 38 H TYR 38 5.158 5.260 15.866 124 HA TYR 38 HA TYR 38 6.880 2.935 15.800 125 HB2 TYR 38 2HB TYR 38 5.194 2.138 17.067 126 HB3 TYR 38 1HB TYR 38 4.543 3.767 17.010 127 HD1 TYR 38 2HD TYR 38 3.439 4.112 14.392 128 HD2 TYR 38 1HD TYR 38 3.531 0.606 16.851 129 HE1 TYR 38 2HE TYR 38 1.447 3.225 13.205 130 HE2 TYR 38 1HE TYR 38 1.537 -0.286 15.682 131 HH TYR 38 HH TYR 38 -0.464 0.848 14.345 132 H LEU 39 H LEU 39 4.959 4.641 13.490 133 HA LEU 39 HA LEU 39 4.098 2.778 11.659 134 HB2 LEU 39 2HB LEU 39 5.080 5.522 11.702 135 HB3 LEU 39 1HB LEU 39 5.386 4.737 10.156 136 HG LEU 39 HG LEU 39 3.211 5.708 10.000 137 HD11 LEU 39 1HD1 LEU 39 2.158 3.074 10.667 138 HD12 LEU 39 2HD1 LEU 39 3.651 2.982 9.731 139 HD13 LEU 39 3HD1 LEU 39 2.265 3.870 9.097 140 HD21 LEU 39 3HD2 LEU 39 2.773 4.415 12.692 141 HD22 LEU 39 1HD2 LEU 39 1.453 5.063 11.720 142 HD23 LEU 39 2HD2 LEU 39 2.725 6.136 12.308 143 H LEU 40 H LEU 40 7.374 4.211 11.703 144 HA LEU 40 HA LEU 40 8.527 2.512 9.764 145 HB2 LEU 40 2HB LEU 40 9.458 4.193 12.070 146 HB3 LEU 40 1HB LEU 40 10.631 3.232 11.166 147 HG LEU 40 HG LEU 40 10.198 5.646 10.365 148 HD11 LEU 40 1HD1 LEU 40 9.888 4.527 7.891 149 HD12 LEU 40 2HD1 LEU 40 10.391 3.124 8.836 150 HD13 LEU 40 3HD1 LEU 40 11.416 4.557 8.771 151 HD21 LEU 40 3HD2 LEU 40 8.261 5.850 8.809 152 HD22 LEU 40 1HD2 LEU 40 7.751 5.599 10.479 153 HD23 LEU 40 2HD2 LEU 40 7.705 4.261 9.332 154 H ALA 41 H ALA 41 8.003 2.094 13.218 155 HA ALA 41 HA ALA 41 9.647 -0.138 13.693 156 HB1 ALA 41 1HB ALA 41 8.311 -0.368 15.648 157 HB2 ALA 41 2HB ALA 41 6.874 0.242 14.827 158 HB3 ALA 41 3HB ALA 41 8.183 1.345 15.249 159 H ARG 42 H ARG 42 6.360 0.139 12.425 160 HA ARG 42 HA ARG 42 6.100 -2.704 11.961 161 HB2 ARG 42 2HB ARG 42 4.412 -0.245 11.700 162 HB3 ARG 42 1HB ARG 42 3.855 -1.785 11.044 163 HG2 ARG 42 2HG ARG 42 4.899 -1.835 13.828 164 HG3 ARG 42 1HG ARG 42 3.354 -1.020 13.584 165 HD2 ARG 42 2HD ARG 42 2.616 -3.108 12.287 166 HD3 ARG 42 1HD ARG 42 4.053 -3.900 12.965 167 HE ARG 42 HE ARG 42 2.628 -2.517 15.045 168 HH11 ARG 42 1HH2 ARG 42 1.161 -4.571 12.922 169 HH12 ARG 42 2HH2 ARG 42 0.837 -5.839 14.056 170 HH21 ARG 42 1HH1 ARG 42 2.796 -4.461 16.564 171 HH22 ARG 42 2HH1 ARG 42 1.761 -5.777 16.119 172 H PHE 43 H PHE 43 7.113 0.070 10.242 173 HA PHE 43 HA PHE 43 6.376 -0.141 7.630 174 HB2 PHE 43 2HB PHE 43 8.724 0.656 9.158 175 HB3 PHE 43 1HB PHE 43 9.133 0.174 7.517 176 HD1 PHE 43 1HD PHE 43 5.885 1.596 8.580 177 HD2 PHE 43 2HD PHE 43 9.628 2.349 6.615 178 HE1 PHE 43 1HE PHE 43 5.007 3.759 7.741 179 HE2 PHE 43 2HE PHE 43 8.751 4.512 5.772 180 HZ PHE 43 HZ PHE 43 6.440 5.216 6.336 181 H LYS 44 H LYS 44 8.295 -2.547 9.355 182 HA LYS 44 HA LYS 44 9.314 -3.844 7.065 183 HB2 LYS 44 2HB LYS 44 9.029 -4.413 9.972 184 HB3 LYS 44 1HB LYS 44 9.645 -5.667 8.890 185 HG2 LYS 44 2HG LYS 44 11.481 -4.319 9.819 186 HG3 LYS 44 1HG LYS 44 11.362 -4.129 8.071 187 HD2 LYS 44 2HD LYS 44 10.400 -1.991 8.246 188 HD3 LYS 44 1HD LYS 44 9.981 -2.227 9.943 189 HE2 LYS 44 2HE LYS 44 12.851 -2.157 8.963 190 HE3 LYS 44 1HE LYS 44 11.997 -0.730 9.584 191 HZ1 LYS 44 3HZ LYS 44 12.794 -1.555 11.536 192 HZ2 LYS 44 1HZ LYS 44 12.813 -3.161 10.994 193 HZ3 LYS 44 2HZ LYS 44 11.347 -2.440 11.458 194 H GLY 45 H GLY 45 6.263 -3.517 7.623 195 HA2 GLY 45 2HA GLY 45 4.897 -5.876 7.931 196 HA3 GLY 45 1HA GLY 45 4.385 -4.659 6.772 197 H ASP 46 H ASP 46 5.641 -4.732 4.731 198 HA ASP 46 HA ASP 46 5.362 -7.299 3.472 199 HB2 ASP 46 2HB ASP 46 7.021 -5.591 1.871 200 HB3 ASP 46 1HB ASP 46 5.322 -5.997 1.634 201 H GLY 47 H GLY 47 6.898 -8.030 5.389 202 HA2 GLY 47 2HA GLY 47 9.553 -8.496 4.126 203 HA3 GLY 47 1HA GLY 47 9.493 -7.938 5.799 204 H VAL 48 H VAL 48 8.334 -9.286 7.313 205 HA VAL 48 HA VAL 48 9.107 -11.997 7.279 206 HB VAL 48 HB VAL 48 8.816 -11.102 9.403 207 HG11 VAL 48 1HG1 VAL 48 6.414 -9.939 9.795 208 HG12 VAL 48 2HG1 VAL 48 6.670 -9.556 8.094 209 HG13 VAL 48 3HG1 VAL 48 7.852 -9.047 9.299 210 HG21 VAL 48 3HG2 VAL 48 6.058 -12.153 8.841 211 HG22 VAL 48 1HG2 VAL 48 6.806 -11.985 10.429 212 HG23 VAL 48 2HG2 VAL 48 7.453 -13.147 9.267 213 H LYS 49 H LYS 49 5.911 -10.517 6.719 214 HA LYS 49 HA LYS 49 4.210 -12.622 6.632 215 HB2 LYS 49 2HB LYS 49 3.204 -11.337 4.633 216 HB3 LYS 49 1HB LYS 49 3.433 -10.467 6.147 217 HG2 LYS 49 2HG LYS 49 4.709 -8.971 5.083 218 HG3 LYS 49 1HG LYS 49 5.852 -10.243 4.662 219 HD2 LYS 49 2HD LYS 49 4.993 -9.074 2.654 220 HD3 LYS 49 1HD LYS 49 4.541 -10.778 2.657 221 HE2 LYS 49 2HE LYS 49 2.361 -10.186 2.522 222 HE3 LYS 49 1HE LYS 49 2.511 -9.306 4.057 223 HZ1 LYS 49 3HZ LYS 49 3.404 -7.420 2.899 224 HZ2 LYS 49 1HZ LYS 49 1.927 -7.837 2.178 225 HZ3 LYS 49 2HZ LYS 49 3.388 -8.256 1.420 226 H TYR 50 H TYR 50 6.049 -11.722 3.630 227 HA TYR 50 HA TYR 50 5.368 -14.302 2.498 228 HB2 TYR 50 2HB TYR 50 6.625 -13.373 0.599 229 HB3 TYR 50 1HB TYR 50 5.386 -12.275 1.195 230 HD1 TYR 50 2HD TYR 50 8.994 -13.092 1.837 231 HD2 TYR 50 1HD TYR 50 5.960 -10.093 1.457 232 HE1 TYR 50 2HE TYR 50 10.712 -11.323 2.155 233 HE2 TYR 50 1HE TYR 50 7.663 -8.319 1.761 234 HH TYR 50 HH TYR 50 10.351 -8.251 1.321 235 H LYS 51 H LYS 51 8.148 -12.871 4.129 236 HA LYS 51 HA LYS 51 10.121 -14.740 3.288 237 HB2 LYS 51 2HB LYS 51 9.649 -12.783 5.441 238 HB3 LYS 51 1HB LYS 51 10.780 -14.066 5.860 239 HG2 LYS 51 2HG LYS 51 11.286 -13.082 3.178 240 HG3 LYS 51 1HG LYS 51 11.349 -11.768 4.354 241 HD2 LYS 51 2HD LYS 51 12.699 -13.800 5.649 242 HD3 LYS 51 1HD LYS 51 13.192 -14.019 3.970 243 HE2 LYS 51 2HE LYS 51 13.188 -11.195 4.706 244 HE3 LYS 51 1HE LYS 51 14.266 -12.146 5.747 245 HZ1 LYS 51 3HZ LYS 51 15.408 -13.000 3.926 246 HZ2 LYS 51 1HZ LYS 51 15.180 -11.374 3.502 247 HZ3 LYS 51 2HZ LYS 51 14.186 -12.574 2.825 248 H ALA 52 H ALA 52 7.840 -14.747 5.897 249 HA ALA 52 HA ALA 52 8.565 -17.246 7.042 250 HB1 ALA 52 1HB ALA 52 6.904 -16.703 8.544 251 HB2 ALA 52 2HB ALA 52 5.819 -16.161 7.263 252 HB3 ALA 52 3HB ALA 52 7.135 -15.119 7.805 253 H LYS 53 H LYS 53 5.807 -16.251 5.174 254 HA LYS 53 HA LYS 53 4.600 -18.751 4.760 255 HB2 LYS 53 2HB LYS 53 4.656 -16.085 3.377 256 HB3 LYS 53 1HB LYS 53 3.715 -17.403 2.695 257 HG2 LYS 53 2HG LYS 53 2.978 -17.552 5.317 258 HG3 LYS 53 1HG LYS 53 3.232 -15.816 5.134 259 HD2 LYS 53 2HD LYS 53 1.794 -16.977 2.866 260 HD3 LYS 53 1HD LYS 53 0.939 -17.201 4.393 261 HE2 LYS 53 2HE LYS 53 1.910 -14.548 4.459 262 HE3 LYS 53 1HE LYS 53 1.227 -14.779 2.837 263 HZ1 LYS 53 3HZ LYS 53 -0.744 -15.755 3.845 264 HZ2 LYS 53 1HZ LYS 53 -0.505 -14.177 4.418 265 HZ3 LYS 53 2HZ LYS 53 -0.100 -15.506 5.397 266 H LEU 54 H LEU 54 6.752 -16.960 2.458 267 HA LEU 54 HA LEU 54 6.906 -18.819 0.441 268 HB2 LEU 54 2HB LEU 54 8.865 -16.971 1.728 269 HB3 LEU 54 1HB LEU 54 9.159 -17.766 0.169 270 HG LEU 54 HG LEU 54 6.774 -16.056 0.868 271 HD11 LEU 54 1HD1 LEU 54 8.735 -14.731 0.525 272 HD12 LEU 54 2HD1 LEU 54 7.733 -14.614 -0.923 273 HD13 LEU 54 3HD1 LEU 54 9.160 -15.653 -0.915 274 HD21 LEU 54 3HD2 LEU 54 7.419 -17.899 -1.386 275 HD22 LEU 54 1HD2 LEU 54 6.540 -16.414 -1.754 276 HD23 LEU 54 2HD2 LEU 54 5.871 -17.575 -0.607 277 H ILE 55 H ILE 55 8.406 -18.817 3.577 278 HA ILE 55 HA ILE 55 10.211 -20.955 3.209 279 HB ILE 55 HB ILE 55 9.244 -18.944 5.052 280 HG12 ILE 55 2HG1 ILE 55 11.418 -18.506 5.378 281 HG13 ILE 55 1HG1 ILE 55 11.932 -20.187 5.224 282 HG21 ILE 55 1HG2 ILE 55 10.386 -20.344 6.940 283 HG22 ILE 55 2HG2 ILE 55 9.642 -21.645 6.016 284 HG23 ILE 55 3HG2 ILE 55 8.651 -20.331 6.640 285 HD11 ILE 55 3HD1 ILE 55 10.725 -18.830 2.847 286 HD12 ILE 55 1HD1 ILE 55 11.977 -20.071 2.908 287 HD13 ILE 55 2HD1 ILE 55 12.375 -18.396 3.291 288 H GLY 56 H GLY 56 7.381 -20.636 5.317 289 HA2 GLY 56 2HA GLY 56 5.747 -22.140 5.988 290 HA3 GLY 56 1HA GLY 56 5.989 -22.900 4.438 291 H ILE 57 H ILE 57 8.302 -22.577 7.018 292 HA ILE 57 HA ILE 57 9.058 -25.294 6.947 293 HB ILE 57 HB ILE 57 10.550 -24.468 8.719 294 HG12 ILE 57 2HG1 ILE 57 9.537 -21.701 8.270 295 HG13 ILE 57 1HG1 ILE 57 8.584 -22.724 9.342 296 HG21 ILE 57 1HG2 ILE 57 10.205 -23.490 6.015 297 HG22 ILE 57 2HG2 ILE 57 11.678 -23.999 6.841 298 HG23 ILE 57 3HG2 ILE 57 11.090 -22.345 7.022 299 HD11 ILE 57 3HD1 ILE 57 10.714 -23.243 10.596 300 HD12 ILE 57 1HD1 ILE 57 10.200 -21.559 10.702 301 HD13 ILE 57 2HD1 ILE 57 11.515 -22.013 9.619 302 H ASP 58 H ASP 58 9.175 -24.544 9.921 303 HA ASP 58 HA ASP 58 7.536 -26.498 11.043 304 HB2 ASP 58 2HB ASP 58 9.364 -24.653 11.900 305 HB3 ASP 58 1HB ASP 58 7.877 -24.031 12.631 Start of MODEL 15 1 H SER 24 H SER 24 -2.543 -2.956 7.024 2 HA SER 24 HA SER 24 -1.389 -3.614 4.488 3 HB2 SER 24 2HB SER 24 -3.275 -4.986 4.041 4 HB3 SER 24 1HB SER 24 -4.387 -3.840 4.782 5 HG SER 24 HG SER 24 -4.243 -2.557 3.039 6 H LYS 25 H LYS 25 -1.088 -1.460 6.218 7 HA LYS 25 HA LYS 25 -2.595 0.830 6.047 8 HB2 LYS 25 2HB LYS 25 0.112 0.087 6.525 9 HB3 LYS 25 1HB LYS 25 0.138 1.499 5.467 10 HG2 LYS 25 2HG LYS 25 -1.598 2.512 7.090 11 HG3 LYS 25 1HG LYS 25 -1.110 1.234 8.203 12 HD2 LYS 25 2HD LYS 25 1.188 2.567 6.997 13 HD3 LYS 25 1HD LYS 25 0.157 3.693 7.881 14 HE2 LYS 25 2HE LYS 25 1.417 2.934 9.666 15 HE3 LYS 25 1HE LYS 25 0.208 1.635 9.653 16 HZ1 LYS 25 3HZ LYS 25 2.804 1.632 8.204 17 HZ2 LYS 25 1HZ LYS 25 1.622 0.422 8.080 18 HZ3 LYS 25 2HZ LYS 25 2.414 0.687 9.561 19 H LYS 26 H LYS 26 -2.812 2.553 4.512 20 HA LYS 26 HA LYS 26 -1.494 2.697 1.999 21 HB2 LYS 26 2HB LYS 26 -2.655 0.552 1.641 22 HB3 LYS 26 1HB LYS 26 -4.196 1.314 2.038 23 HG2 LYS 26 2HG LYS 26 -3.997 2.801 0.110 24 HG3 LYS 26 1HG LYS 26 -2.404 2.141 -0.264 25 HD2 LYS 26 2HD LYS 26 -4.826 0.354 -0.082 26 HD3 LYS 26 1HD LYS 26 -4.426 1.200 -1.577 27 HE2 LYS 26 2HE LYS 26 -2.064 0.194 -1.324 28 HE3 LYS 26 1HE LYS 26 -2.792 -0.893 -0.126 29 HZ1 LYS 26 3HZ LYS 26 -4.041 -0.448 -2.768 30 HZ2 LYS 26 1HZ LYS 26 -4.299 -1.724 -1.679 31 HZ3 LYS 26 2HZ LYS 26 -2.844 -1.635 -2.552 32 H GLU 27 H GLU 27 -4.752 3.089 3.421 33 HA GLU 27 HA GLU 27 -6.261 4.916 3.242 34 HB2 GLU 27 2HB GLU 27 -4.731 5.555 5.020 35 HB3 GLU 27 1HB GLU 27 -3.555 6.146 3.844 36 HG2 GLU 27 2HG GLU 27 -5.516 7.682 3.039 37 HG3 GLU 27 1HG GLU 27 -6.204 7.337 4.626 38 H LYS 28 H LYS 28 -6.685 4.732 0.929 39 HA LYS 28 HA LYS 28 -6.506 5.355 -1.357 40 HB2 LYS 28 2HB LYS 28 -7.929 6.914 -0.074 41 HB3 LYS 28 1HB LYS 28 -6.529 7.944 0.210 42 HG2 LYS 28 2HG LYS 28 -6.550 8.778 -1.921 43 HG3 LYS 28 1HG LYS 28 -7.022 7.230 -2.624 44 HD2 LYS 28 2HD LYS 28 -9.024 8.301 -2.923 45 HD3 LYS 28 1HD LYS 28 -9.279 7.812 -1.248 46 HE2 LYS 28 2HE LYS 28 -7.855 10.404 -1.787 47 HE3 LYS 28 1HE LYS 28 -9.624 10.344 -1.923 48 HZ1 LYS 28 3HZ LYS 28 -9.504 9.074 0.277 49 HZ2 LYS 28 1HZ LYS 28 -9.267 10.752 0.329 50 HZ3 LYS 28 2HZ LYS 28 -7.932 9.704 0.416 51 H LYS 29 H LYS 29 -4.845 8.294 -0.408 52 HA LYS 29 HA LYS 29 -2.876 8.240 -2.353 53 HB2 LYS 29 2HB LYS 29 -3.579 9.727 -0.060 54 HB3 LYS 29 1HB LYS 29 -1.863 9.356 0.111 55 HG2 LYS 29 2HG LYS 29 -2.457 10.102 -2.622 56 HG3 LYS 29 1HG LYS 29 -3.006 11.357 -1.510 57 HD2 LYS 29 2HD LYS 29 -0.471 10.488 -0.574 58 HD3 LYS 29 1HD LYS 29 -0.317 10.734 -2.313 59 HE2 LYS 29 2HE LYS 29 0.149 12.847 -1.138 60 HE3 LYS 29 1HE LYS 29 -1.377 12.999 -2.032 61 HZ1 LYS 29 3HZ LYS 29 -1.500 13.707 0.349 62 HZ2 LYS 29 1HZ LYS 29 -1.216 12.094 0.790 63 HZ3 LYS 29 2HZ LYS 29 -2.614 12.499 -0.085 64 H LYS 30 H LYS 30 -1.970 6.090 -2.561 65 HA LYS 30 HA LYS 30 -0.864 4.530 -0.503 66 HB2 LYS 30 2HB LYS 30 0.165 3.375 -2.381 67 HB3 LYS 30 1HB LYS 30 -1.450 3.910 -2.845 68 HG2 LYS 30 2HG LYS 30 0.185 6.079 -3.474 69 HG3 LYS 30 1HG LYS 30 1.133 4.672 -3.962 70 HD2 LYS 30 2HD LYS 30 -1.729 4.543 -4.678 71 HD3 LYS 30 1HD LYS 30 -0.819 5.813 -5.497 72 HE2 LYS 30 2HE LYS 30 0.412 3.083 -5.339 73 HE3 LYS 30 1HE LYS 30 -0.887 3.364 -6.518 74 HZ1 LYS 30 3HZ LYS 30 0.502 5.588 -6.829 75 HZ2 LYS 30 1HZ LYS 30 0.824 4.188 -7.729 76 HZ3 LYS 30 2HZ LYS 30 1.771 4.558 -6.369 77 H GLY 31 H GLY 31 0.589 5.525 0.916 78 HA2 GLY 31 2HA GLY 31 2.483 6.749 1.624 79 HA3 GLY 31 1HA GLY 31 3.275 5.689 0.465 80 HA PRO 32 HA PRO 32 4.026 10.031 -0.831 81 HB2 PRO 32 2HB PRO 32 6.637 9.622 -1.452 82 HB3 PRO 32 1HB PRO 32 6.071 10.064 0.177 83 HG2 PRO 32 2HG PRO 32 6.749 7.396 -0.930 84 HG3 PRO 32 1HG PRO 32 7.154 8.104 0.641 85 HD2 PRO 32 2HD PRO 32 5.164 6.314 0.353 86 HD3 PRO 32 1HD PRO 32 5.077 7.643 1.533 87 H GLU 33 H GLU 33 5.566 10.472 -3.020 88 HA GLU 33 HA GLU 33 4.162 9.042 -5.095 89 HB2 GLU 33 2HB GLU 33 4.340 11.112 -6.030 90 HB3 GLU 33 1HB GLU 33 5.168 11.567 -4.536 91 HG2 GLU 33 2HG GLU 33 7.313 11.084 -5.453 92 HG3 GLU 33 1HG GLU 33 6.604 10.322 -6.877 93 H LYS 34 H LYS 34 6.643 8.380 -3.414 94 HA LYS 34 HA LYS 34 8.754 7.653 -5.187 95 HB2 LYS 34 2HB LYS 34 7.982 7.686 -2.443 96 HB3 LYS 34 1HB LYS 34 8.680 6.130 -2.815 97 HG2 LYS 34 2HG LYS 34 9.946 8.743 -3.612 98 HG3 LYS 34 1HG LYS 34 10.315 7.933 -2.090 99 HD2 LYS 34 2HD LYS 34 11.581 6.333 -3.108 100 HD3 LYS 34 1HD LYS 34 10.460 6.186 -4.463 101 HE2 LYS 34 2HE LYS 34 12.394 7.117 -5.461 102 HE3 LYS 34 1HE LYS 34 11.382 8.542 -5.156 103 HZ1 LYS 34 3HZ LYS 34 12.661 9.207 -3.432 104 HZ2 LYS 34 1HZ LYS 34 13.866 8.339 -4.251 105 HZ3 LYS 34 2HZ LYS 34 13.043 7.623 -2.948 106 H THR 35 H THR 35 9.339 5.342 -5.706 107 HA THR 35 HA THR 35 7.403 3.252 -5.282 108 HB THR 35 HB THR 35 7.696 3.774 -8.139 109 HG1 THR 35 1HG THR 35 5.834 5.333 -7.793 110 HG21 THR 35 3HG2 THR 35 6.079 2.215 -7.970 111 HG22 THR 35 1HG2 THR 35 5.017 3.543 -7.503 112 HG23 THR 35 2HG2 THR 35 5.815 2.574 -6.264 113 H ASP 36 H ASP 36 10.385 4.313 -6.743 114 HA ASP 36 HA ASP 36 11.109 1.480 -7.327 115 HB2 ASP 36 2HB ASP 36 11.698 4.109 -8.451 116 HB3 ASP 36 1HB ASP 36 13.152 3.140 -8.203 117 H GLU 37 H GLU 37 12.939 4.257 -6.279 118 HA GLU 37 HA GLU 37 14.770 2.777 -4.684 119 HB2 GLU 37 2HB GLU 37 13.994 5.598 -5.164 120 HB3 GLU 37 1HB GLU 37 14.841 5.285 -3.649 121 HG2 GLU 37 2HG GLU 37 16.213 3.805 -5.619 122 HG3 GLU 37 1HG GLU 37 15.912 5.391 -6.328 123 H TYR 38 H TYR 38 11.555 3.705 -4.240 124 HA TYR 38 HA TYR 38 11.516 3.829 -1.352 125 HB2 TYR 38 2HB TYR 38 9.497 4.745 -1.789 126 HB3 TYR 38 1HB TYR 38 10.007 4.706 -3.467 127 HD1 TYR 38 2HD TYR 38 9.805 1.958 -4.295 128 HD2 TYR 38 1HD TYR 38 7.282 4.182 -1.639 129 HE1 TYR 38 2HE TYR 38 7.924 0.424 -4.798 130 HE2 TYR 38 1HE TYR 38 5.391 2.660 -2.145 131 HH TYR 38 HH TYR 38 4.934 0.525 -3.009 132 H LEU 39 H LEU 39 11.391 1.291 -3.690 133 HA LEU 39 HA LEU 39 9.830 -0.689 -2.567 134 HB2 LEU 39 2HB LEU 39 12.257 -0.463 -4.192 135 HB3 LEU 39 1HB LEU 39 12.163 -1.980 -3.311 136 HG LEU 39 HG LEU 39 11.048 -2.455 -5.313 137 HD11 LEU 39 1HD1 LEU 39 8.585 -1.521 -3.955 138 HD12 LEU 39 2HD1 LEU 39 9.628 -2.607 -3.038 139 HD13 LEU 39 3HD1 LEU 39 8.981 -3.115 -4.599 140 HD21 LEU 39 3HD2 LEU 39 10.681 -0.614 -6.582 141 HD22 LEU 39 1HD2 LEU 39 10.381 0.401 -5.170 142 HD23 LEU 39 2HD2 LEU 39 9.088 -0.606 -5.824 143 H LEU 40 H LEU 40 13.284 -0.152 -1.819 144 HA LEU 40 HA LEU 40 13.412 -1.954 0.369 145 HB2 LEU 40 2HB LEU 40 14.960 0.406 -0.656 146 HB3 LEU 40 1HB LEU 40 15.443 -0.370 0.853 147 HG LEU 40 HG LEU 40 16.507 -1.232 -1.346 148 HD11 LEU 40 1HD1 LEU 40 15.454 -2.641 1.005 149 HD12 LEU 40 2HD1 LEU 40 17.061 -2.716 0.283 150 HD13 LEU 40 3HD1 LEU 40 15.754 -3.706 -0.367 151 HD21 LEU 40 3HD2 LEU 40 15.157 -2.979 -2.486 152 HD22 LEU 40 1HD2 LEU 40 14.416 -1.385 -2.644 153 HD23 LEU 40 2HD2 LEU 40 13.773 -2.546 -1.483 154 H ALA 41 H ALA 41 12.227 1.299 0.102 155 HA ALA 41 HA ALA 41 12.431 2.197 2.753 156 HB1 ALA 41 1HB ALA 41 11.012 3.857 1.992 157 HB2 ALA 41 2HB ALA 41 9.937 2.704 1.201 158 HB3 ALA 41 3HB ALA 41 11.460 3.157 0.437 159 H ARG 42 H ARG 42 10.012 0.143 1.185 160 HA ARG 42 HA ARG 42 8.506 -0.237 3.626 161 HB2 ARG 42 2HB ARG 42 8.296 -0.947 0.738 162 HB3 ARG 42 1HB ARG 42 7.275 -1.794 1.900 163 HG2 ARG 42 2HG ARG 42 7.447 1.218 1.891 164 HG3 ARG 42 1HG ARG 42 6.335 0.369 0.816 165 HD2 ARG 42 2HD ARG 42 5.022 -0.419 2.573 166 HD3 ARG 42 1HD ARG 42 6.359 -0.347 3.738 167 HE ARG 42 HE ARG 42 4.630 1.892 2.989 168 HH11 ARG 42 1HH1 ARG 42 7.256 3.032 2.413 169 HH12 ARG 42 2HH1 ARG 42 7.808 3.582 3.959 170 HH21 ARG 42 1HH2 ARG 42 5.533 1.669 5.745 171 HH22 ARG 42 2HH2 ARG 42 6.837 2.805 5.848 172 H PHE 43 H PHE 43 11.046 -1.813 1.950 173 HA PHE 43 HA PHE 43 10.818 -4.512 2.259 174 HB2 PHE 43 2HB PHE 43 12.914 -2.481 2.386 175 HB3 PHE 43 1HB PHE 43 13.341 -3.938 3.271 176 HD1 PHE 43 2HD PHE 43 11.264 -3.487 0.187 177 HD2 PHE 43 1HD PHE 43 14.846 -5.117 1.908 178 HE1 PHE 43 2HE PHE 43 11.773 -4.633 -1.952 179 HE2 PHE 43 1HE PHE 43 15.357 -6.260 -0.233 180 HZ PHE 43 HZ PHE 43 13.819 -6.016 -2.164 181 H LYS 44 H LYS 44 11.385 -2.203 4.918 182 HA LYS 44 HA LYS 44 11.727 -4.185 6.908 183 HB2 LYS 44 2HB LYS 44 11.346 -1.238 6.767 184 HB3 LYS 44 1HB LYS 44 11.359 -2.046 8.338 185 HG2 LYS 44 2HG LYS 44 13.618 -1.302 7.685 186 HG3 LYS 44 1HG LYS 44 13.519 -3.056 7.819 187 HD2 LYS 44 2HD LYS 44 13.485 -3.348 5.479 188 HD3 LYS 44 1HD LYS 44 13.118 -1.646 5.192 189 HE2 LYS 44 2HE LYS 44 15.440 -1.312 6.492 190 HE3 LYS 44 1HE LYS 44 15.740 -2.928 5.820 191 HZ1 LYS 44 3HZ LYS 44 14.992 -0.456 4.369 192 HZ2 LYS 44 1HZ LYS 44 14.818 -1.994 3.676 193 HZ3 LYS 44 2HZ LYS 44 16.358 -1.438 4.129 194 H GLY 45 H GLY 45 9.087 -3.848 5.288 195 HA2 GLY 45 2HA GLY 45 7.298 -4.138 7.649 196 HA3 GLY 45 1HA GLY 45 6.786 -3.247 6.232 197 H ASP 46 H ASP 46 6.833 -4.496 4.204 198 HA ASP 46 HA ASP 46 5.303 -6.923 4.510 199 HB2 ASP 46 2HB ASP 46 6.534 -5.991 1.933 200 HB3 ASP 46 1HB ASP 46 4.945 -6.685 2.221 201 H GLY 47 H GLY 47 8.021 -7.281 5.587 202 HA2 GLY 47 2HA GLY 47 9.306 -8.997 3.530 203 HA3 GLY 47 1HA GLY 47 10.060 -8.466 5.036 204 H VAL 48 H VAL 48 8.674 -9.175 6.975 205 HA VAL 48 HA VAL 48 8.902 -11.902 7.417 206 HB VAL 48 HB VAL 48 8.653 -10.624 9.346 207 HG11 VAL 48 1HG1 VAL 48 6.919 -8.985 7.615 208 HG12 VAL 48 2HG1 VAL 48 8.071 -8.487 8.855 209 HG13 VAL 48 3HG1 VAL 48 6.456 -9.027 9.315 210 HG21 VAL 48 3HG2 VAL 48 5.721 -10.956 9.047 211 HG22 VAL 48 1HG2 VAL 48 6.754 -11.286 10.439 212 HG23 VAL 48 2HG2 VAL 48 6.735 -12.401 9.070 213 H LYS 49 H LYS 49 6.029 -10.079 6.404 214 HA LYS 49 HA LYS 49 4.020 -11.907 6.511 215 HB2 LYS 49 2HB LYS 49 3.320 -10.773 4.295 216 HB3 LYS 49 1HB LYS 49 3.584 -9.761 5.711 217 HG2 LYS 49 2HG LYS 49 5.279 -8.676 4.721 218 HG3 LYS 49 1HG LYS 49 6.051 -10.168 4.221 219 HD2 LYS 49 2HD LYS 49 5.425 -8.890 2.233 220 HD3 LYS 49 1HD LYS 49 4.415 -10.331 2.332 221 HE2 LYS 49 2HE LYS 49 2.601 -8.997 3.362 222 HE3 LYS 49 1HE LYS 49 3.613 -7.544 3.247 223 HZ1 LYS 49 3HZ LYS 49 3.540 -7.551 0.970 224 HZ2 LYS 49 1HZ LYS 49 1.994 -8.156 1.313 225 HZ3 LYS 49 2HZ LYS 49 3.240 -9.220 0.862 226 H TYR 50 H TYR 50 6.066 -11.709 3.528 227 HA TYR 50 HA TYR 50 5.104 -14.353 2.786 228 HB2 TYR 50 2HB TYR 50 6.193 -13.772 0.707 229 HB3 TYR 50 1HB TYR 50 5.218 -12.419 1.270 230 HD1 TYR 50 2HD TYR 50 8.704 -13.751 1.673 231 HD2 TYR 50 1HD TYR 50 6.161 -10.331 1.185 232 HE1 TYR 50 2HE TYR 50 10.706 -12.290 1.569 233 HE2 TYR 50 1HE TYR 50 8.167 -8.867 1.054 234 HH TYR 50 HH TYR 50 11.226 -9.970 0.512 235 H LYS 51 H LYS 51 8.011 -12.853 4.091 236 HA LYS 51 HA LYS 51 9.983 -14.713 3.487 237 HB2 LYS 51 2HB LYS 51 9.293 -12.866 5.689 238 HB3 LYS 51 1HB LYS 51 10.481 -14.099 6.086 239 HG2 LYS 51 2HG LYS 51 10.994 -12.890 3.481 240 HG3 LYS 51 1HG LYS 51 11.004 -11.700 4.782 241 HD2 LYS 51 2HD LYS 51 12.473 -13.477 6.033 242 HD3 LYS 51 1HD LYS 51 12.763 -14.107 4.412 243 HE2 LYS 51 2HE LYS 51 14.375 -12.521 4.200 244 HE3 LYS 51 1HE LYS 51 13.075 -11.313 4.182 245 HZ1 LYS 51 3HZ LYS 51 13.878 -12.461 6.756 246 HZ2 LYS 51 1HZ LYS 51 13.273 -10.915 6.408 247 HZ3 LYS 51 2HZ LYS 51 14.893 -11.290 6.057 248 H ALA 52 H ALA 52 7.782 -14.806 6.189 249 HA ALA 52 HA ALA 52 8.430 -17.328 7.233 250 HB1 ALA 52 1HB ALA 52 5.807 -17.016 7.834 251 HB2 ALA 52 2HB ALA 52 6.224 -15.377 7.334 252 HB3 ALA 52 3HB ALA 52 7.095 -16.142 8.663 253 H LYS 53 H LYS 53 5.787 -16.419 5.173 254 HA LYS 53 HA LYS 53 4.729 -18.982 4.668 255 HB2 LYS 53 2HB LYS 53 4.658 -16.276 3.371 256 HB3 LYS 53 1HB LYS 53 3.808 -17.629 2.635 257 HG2 LYS 53 2HG LYS 53 3.251 -17.651 5.438 258 HG3 LYS 53 1HG LYS 53 2.966 -16.020 4.831 259 HD2 LYS 53 2HD LYS 53 1.517 -16.914 3.057 260 HD3 LYS 53 1HD LYS 53 1.822 -18.557 3.625 261 HE2 LYS 53 2HE LYS 53 -0.230 -18.021 4.669 262 HE3 LYS 53 1HE LYS 53 0.953 -17.629 5.933 263 HZ1 LYS 53 3HZ LYS 53 0.435 -15.563 3.950 264 HZ2 LYS 53 1HZ LYS 53 0.710 -15.418 5.618 265 HZ3 LYS 53 2HZ LYS 53 -0.825 -15.871 5.047 266 H LEU 54 H LEU 54 6.852 -17.003 2.511 267 HA LEU 54 HA LEU 54 7.120 -18.737 0.407 268 HB2 LEU 54 2HB LEU 54 8.980 -16.854 1.784 269 HB3 LEU 54 1HB LEU 54 9.296 -17.543 0.181 270 HG LEU 54 HG LEU 54 6.888 -15.939 1.020 271 HD11 LEU 54 1HD1 LEU 54 8.600 -15.280 -1.298 272 HD12 LEU 54 2HD1 LEU 54 9.282 -15.021 0.310 273 HD13 LEU 54 3HD1 LEU 54 7.784 -14.214 -0.156 274 HD21 LEU 54 3HD2 LEU 54 7.363 -17.806 -1.233 275 HD22 LEU 54 1HD2 LEU 54 6.590 -16.273 -1.645 276 HD23 LEU 54 2HD2 LEU 54 5.853 -17.342 -0.451 277 H ILE 55 H ILE 55 8.458 -18.983 3.592 278 HA ILE 55 HA ILE 55 10.500 -20.863 3.081 279 HB ILE 55 HB ILE 55 9.189 -19.282 5.112 280 HG12 ILE 55 2HG1 ILE 55 11.274 -18.705 5.693 281 HG13 ILE 55 1HG1 ILE 55 11.969 -20.289 5.345 282 HG21 ILE 55 1HG2 ILE 55 10.164 -20.765 6.928 283 HG22 ILE 55 2HG2 ILE 55 9.983 -22.044 5.722 284 HG23 ILE 55 3HG2 ILE 55 8.575 -21.119 6.249 285 HD11 ILE 55 3HD1 ILE 55 12.384 -18.194 3.742 286 HD12 ILE 55 1HD1 ILE 55 10.820 -18.689 3.091 287 HD13 ILE 55 2HD1 ILE 55 12.176 -19.817 3.082 288 H GLY 56 H GLY 56 7.360 -21.101 4.727 289 HA2 GLY 56 2HA GLY 56 5.840 -22.949 3.958 290 HA3 GLY 56 1HA GLY 56 7.275 -23.928 4.008 291 H ILE 57 H ILE 57 6.127 -21.586 6.309 292 HA ILE 57 HA ILE 57 6.665 -23.207 8.548 293 HB ILE 57 HB ILE 57 5.830 -21.179 9.655 294 HG12 ILE 57 2HG1 ILE 57 5.663 -19.632 7.183 295 HG13 ILE 57 1HG1 ILE 57 4.400 -20.860 7.266 296 HG21 ILE 57 1HG2 ILE 57 7.851 -20.259 9.250 297 HG22 ILE 57 2HG2 ILE 57 7.506 -20.080 7.529 298 HG23 ILE 57 3HG2 ILE 57 8.088 -21.621 8.156 299 HD11 ILE 57 3HD1 ILE 57 4.381 -18.372 8.552 300 HD12 ILE 57 1HD1 ILE 57 4.745 -19.532 9.829 301 HD13 ILE 57 2HD1 ILE 57 3.284 -19.718 8.859 302 H ASP 58 H ASP 58 4.089 -21.692 9.276 303 HA ASP 58 HA ASP 58 1.926 -23.368 8.376 304 HB2 ASP 58 2HB ASP 58 3.233 -24.840 9.919 305 HB3 ASP 58 1HB ASP 58 2.938 -23.676 11.218 Start of MODEL 16 1 H SER 24 H SER 24 13.230 13.626 3.349 2 HA SER 24 HA SER 24 12.551 14.630 5.942 3 HB2 SER 24 2HB SER 24 14.347 16.452 4.315 4 HB3 SER 24 1HB SER 24 13.687 16.776 5.915 5 HG SER 24 HG SER 24 15.907 15.966 5.831 6 H LYS 25 H LYS 25 11.565 13.910 3.145 7 HA LYS 25 HA LYS 25 10.536 16.164 1.790 8 HB2 LYS 25 2HB LYS 25 8.978 14.487 0.836 9 HB3 LYS 25 1HB LYS 25 10.625 13.859 0.925 10 HG2 LYS 25 2HG LYS 25 10.134 12.539 2.838 11 HG3 LYS 25 1HG LYS 25 8.624 13.400 3.140 12 HD2 LYS 25 2HD LYS 25 7.639 12.473 1.113 13 HD3 LYS 25 1HD LYS 25 9.164 11.695 0.692 14 HE2 LYS 25 2HE LYS 25 9.033 10.351 2.792 15 HE3 LYS 25 1HE LYS 25 7.448 11.079 3.125 16 HZ1 LYS 25 3HZ LYS 25 6.937 10.385 0.713 17 HZ2 LYS 25 1HZ LYS 25 6.890 9.197 1.921 18 HZ3 LYS 25 2HZ LYS 25 8.241 9.312 0.897 19 H LYS 26 H LYS 26 9.711 14.981 4.891 20 HA LYS 26 HA LYS 26 7.540 16.900 5.120 21 HB2 LYS 26 2HB LYS 26 6.553 14.859 4.045 22 HB3 LYS 26 1HB LYS 26 7.021 13.937 5.474 23 HG2 LYS 26 2HG LYS 26 5.262 14.711 6.660 24 HG3 LYS 26 1HG LYS 26 5.583 16.377 6.175 25 HD2 LYS 26 2HD LYS 26 4.193 14.311 4.443 26 HD3 LYS 26 1HD LYS 26 3.370 15.571 5.364 27 HE2 LYS 26 2HE LYS 26 3.716 17.026 3.665 28 HE3 LYS 26 1HE LYS 26 5.469 16.800 3.834 29 HZ1 LYS 26 3HZ LYS 26 3.584 15.427 2.069 30 HZ2 LYS 26 1HZ LYS 26 4.863 14.513 2.704 31 HZ3 LYS 26 2HZ LYS 26 5.191 15.900 1.779 32 H GLU 27 H GLU 27 7.152 17.437 7.303 33 HA GLU 27 HA GLU 27 9.101 17.217 9.228 34 HB2 GLU 27 2HB GLU 27 6.195 17.727 9.086 35 HB3 GLU 27 1HB GLU 27 6.794 17.312 10.687 36 HG2 GLU 27 2HG GLU 27 7.484 19.448 10.892 37 HG3 GLU 27 1HG GLU 27 8.686 19.104 9.648 38 H LYS 28 H LYS 28 6.744 14.781 8.329 39 HA LYS 28 HA LYS 28 6.677 13.155 10.613 40 HB2 LYS 28 2HB LYS 28 6.193 12.969 7.734 41 HB3 LYS 28 1HB LYS 28 6.679 11.426 8.439 42 HG2 LYS 28 2HG LYS 28 4.928 12.194 10.323 43 HG3 LYS 28 1HG LYS 28 4.237 13.058 8.949 44 HD2 LYS 28 2HD LYS 28 4.941 10.113 8.875 45 HD3 LYS 28 1HD LYS 28 3.334 10.716 9.284 46 HE2 LYS 28 2HE LYS 28 4.154 12.055 6.899 47 HE3 LYS 28 1HE LYS 28 4.443 10.319 6.672 48 HZ1 LYS 28 3HZ LYS 28 2.050 11.366 6.363 49 HZ2 LYS 28 1HZ LYS 28 1.988 11.118 8.039 50 HZ3 LYS 28 2HZ LYS 28 2.269 9.805 6.998 51 H LYS 29 H LYS 29 9.334 13.804 8.515 52 HA LYS 29 HA LYS 29 11.386 12.624 8.139 53 HB2 LYS 29 2HB LYS 29 11.728 14.223 9.871 54 HB3 LYS 29 1HB LYS 29 10.942 13.194 11.067 55 HG2 LYS 29 2HG LYS 29 12.985 12.381 11.586 56 HG3 LYS 29 1HG LYS 29 13.006 11.613 9.998 57 HD2 LYS 29 2HD LYS 29 14.837 12.897 9.619 58 HD3 LYS 29 1HD LYS 29 13.677 14.204 9.378 59 HE2 LYS 29 2HE LYS 29 15.096 15.131 11.005 60 HE3 LYS 29 1HE LYS 29 13.835 14.407 12.020 61 HZ1 LYS 29 3HZ LYS 29 16.450 13.223 11.270 62 HZ2 LYS 29 1HZ LYS 29 15.192 12.322 11.966 63 HZ3 LYS 29 2HZ LYS 29 15.898 13.604 12.831 64 H LYS 30 H LYS 30 10.017 10.525 7.616 65 HA LYS 30 HA LYS 30 9.582 8.443 9.431 66 HB2 LYS 30 2HB LYS 30 10.173 8.740 6.523 67 HB3 LYS 30 1HB LYS 30 10.232 7.111 7.197 68 HG2 LYS 30 2HG LYS 30 7.894 8.927 7.758 69 HG3 LYS 30 1HG LYS 30 7.958 7.967 6.280 70 HD2 LYS 30 2HD LYS 30 8.576 6.026 8.009 71 HD3 LYS 30 1HD LYS 30 7.677 7.067 9.114 72 HE2 LYS 30 2HE LYS 30 5.939 5.773 8.237 73 HE3 LYS 30 1HE LYS 30 5.938 7.126 7.089 74 HZ1 LYS 30 3HZ LYS 30 7.864 5.020 6.561 75 HZ2 LYS 30 1HZ LYS 30 6.889 5.891 5.481 76 HZ3 LYS 30 2HZ LYS 30 6.237 4.581 6.346 77 H GLY 31 H GLY 31 10.954 7.167 10.606 78 HA2 GLY 31 2HA GLY 31 12.971 6.382 11.504 79 HA3 GLY 31 1HA GLY 31 13.309 5.970 9.827 80 HA PRO 32 HA PRO 32 16.399 9.081 11.388 81 HB2 PRO 32 2HB PRO 32 18.594 7.625 10.746 82 HB3 PRO 32 1HB PRO 32 17.764 7.514 12.317 83 HG2 PRO 32 2HG PRO 32 17.533 5.768 9.934 84 HG3 PRO 32 1HG PRO 32 17.639 5.334 11.645 85 HD2 PRO 32 2HD PRO 32 15.309 5.319 10.296 86 HD3 PRO 32 1HD PRO 32 15.407 5.745 12.021 87 H GLU 33 H GLU 33 18.659 9.425 9.896 88 HA GLU 33 HA GLU 33 17.606 10.281 7.350 89 HB2 GLU 33 2HB GLU 33 19.100 11.932 7.814 90 HB3 GLU 33 1HB GLU 33 19.483 11.011 9.273 91 HG2 GLU 33 2HG GLU 33 21.572 11.230 8.249 92 HG3 GLU 33 1HG GLU 33 21.051 9.627 7.741 93 H LYS 34 H LYS 34 18.596 7.557 8.338 94 HA LYS 34 HA LYS 34 20.576 6.575 6.562 95 HB2 LYS 34 2HB LYS 34 18.868 5.823 8.693 96 HB3 LYS 34 1HB LYS 34 18.730 4.618 7.446 97 HG2 LYS 34 2HG LYS 34 21.409 5.653 8.287 98 HG3 LYS 34 1HG LYS 34 20.613 4.393 9.226 99 HD2 LYS 34 2HD LYS 34 20.688 2.847 7.451 100 HD3 LYS 34 1HD LYS 34 20.926 4.111 6.244 101 HE2 LYS 34 2HE LYS 34 23.067 4.218 8.187 102 HE3 LYS 34 1HE LYS 34 22.947 2.587 7.498 103 HZ1 LYS 34 3HZ LYS 34 23.273 3.344 5.385 104 HZ2 LYS 34 1HZ LYS 34 24.192 4.500 6.219 105 HZ3 LYS 34 2HZ LYS 34 22.618 4.879 5.703 106 H THR 35 H THR 35 20.102 4.933 4.796 107 HA THR 35 HA THR 35 17.449 4.825 3.663 108 HB THR 35 HB THR 35 19.455 6.191 1.966 109 HG1 THR 35 1HG THR 35 17.665 7.579 3.636 110 HG21 THR 35 3HG2 THR 35 16.875 7.248 1.660 111 HG22 THR 35 1HG2 THR 35 16.657 5.509 1.860 112 HG23 THR 35 2HG2 THR 35 17.697 6.126 0.574 113 H ASP 36 H ASP 36 20.826 3.972 3.468 114 HA ASP 36 HA ASP 36 20.229 2.011 1.306 115 HB2 ASP 36 2HB ASP 36 22.532 3.582 2.212 116 HB3 ASP 36 1HB ASP 36 22.929 1.905 1.838 117 H GLU 37 H GLU 37 22.387 1.951 4.049 118 HA GLU 37 HA GLU 37 22.142 -0.845 4.508 119 HB2 GLU 37 2HB GLU 37 23.162 1.564 5.950 120 HB3 GLU 37 1HB GLU 37 22.996 0.065 6.863 121 HG2 GLU 37 2HG GLU 37 24.556 -1.071 5.525 122 HG3 GLU 37 1HG GLU 37 24.382 0.070 4.192 123 H TYR 38 H TYR 38 20.139 1.802 5.142 124 HA TYR 38 HA TYR 38 18.732 0.764 7.435 125 HB2 TYR 38 2HB TYR 38 18.011 2.897 7.477 126 HB3 TYR 38 1HB TYR 38 19.156 3.171 6.176 127 HD1 TYR 38 1HD TYR 38 17.988 2.012 3.826 128 HD2 TYR 38 2HD TYR 38 16.084 4.040 7.083 129 HE1 TYR 38 1HE TYR 38 16.094 2.621 2.341 130 HE2 TYR 38 2HE TYR 38 14.189 4.660 5.609 131 HH TYR 38 HH TYR 38 13.586 4.844 3.376 132 H LEU 39 H LEU 39 18.552 0.262 4.030 133 HA LEU 39 HA LEU 39 15.918 -0.310 3.454 134 HB2 LEU 39 2HB LEU 39 18.588 -1.258 2.696 135 HB3 LEU 39 1HB LEU 39 17.327 -2.453 2.417 136 HG LEU 39 HG LEU 39 17.451 -1.148 0.431 137 HD11 LEU 39 1HD1 LEU 39 15.226 -0.819 0.239 138 HD12 LEU 39 2HD1 LEU 39 15.222 0.404 1.510 139 HD13 LEU 39 3HD1 LEU 39 15.142 -1.308 1.930 140 HD21 LEU 39 3HD2 LEU 39 17.277 1.342 0.513 141 HD22 LEU 39 1HD2 LEU 39 18.728 0.731 1.306 142 HD23 LEU 39 2HD2 LEU 39 17.348 1.247 2.272 143 H LEU 40 H LEU 40 18.258 -2.596 4.882 144 HA LEU 40 HA LEU 40 16.406 -4.637 5.536 145 HB2 LEU 40 2HB LEU 40 19.118 -3.729 6.447 146 HB3 LEU 40 1HB LEU 40 18.335 -5.088 7.256 147 HG LEU 40 HG LEU 40 19.862 -5.628 5.253 148 HD11 LEU 40 1HD1 LEU 40 17.727 -7.093 4.337 149 HD12 LEU 40 2HD1 LEU 40 17.173 -6.623 5.943 150 HD13 LEU 40 3HD1 LEU 40 18.684 -7.513 5.758 151 HD21 LEU 40 3HD2 LEU 40 17.412 -4.581 3.801 152 HD22 LEU 40 1HD2 LEU 40 18.738 -5.465 3.045 153 HD23 LEU 40 2HD2 LEU 40 19.026 -3.873 3.746 154 H ALA 41 H ALA 41 17.221 -1.624 7.105 155 HA ALA 41 HA ALA 41 16.271 -2.128 9.710 156 HB1 ALA 41 1HB ALA 41 17.491 -0.092 8.624 157 HB2 ALA 41 2HB ALA 41 16.325 0.234 9.907 158 HB3 ALA 41 3HB ALA 41 15.868 0.464 8.220 159 H ARG 42 H ARG 42 14.630 -1.113 6.749 160 HA ARG 42 HA ARG 42 12.015 -1.111 7.989 161 HB2 ARG 42 2HB ARG 42 13.260 -0.368 5.389 162 HB3 ARG 42 1HB ARG 42 11.516 -0.629 5.434 163 HG2 ARG 42 2HG ARG 42 12.944 1.191 7.386 164 HG3 ARG 42 1HG ARG 42 12.279 1.768 5.856 165 HD2 ARG 42 2HD ARG 42 10.430 0.119 7.493 166 HD3 ARG 42 1HD ARG 42 10.828 1.719 8.151 167 HE ARG 42 HE ARG 42 9.276 1.229 5.746 168 HH11 ARG 42 1HH2 ARG 42 10.278 3.570 7.871 169 HH12 ARG 42 2HH2 ARG 42 10.383 4.854 6.712 170 HH21 ARG 42 1HH1 ARG 42 9.963 2.769 3.972 171 HH22 ARG 42 2HH1 ARG 42 10.206 4.399 4.504 172 H PHE 43 H PHE 43 14.024 -3.295 6.297 173 HA PHE 43 HA PHE 43 12.458 -4.910 4.732 174 HB2 PHE 43 2HB PHE 43 14.766 -5.157 6.498 175 HB3 PHE 43 1HB PHE 43 13.895 -6.676 6.332 176 HD1 PHE 43 1HD PHE 43 14.244 -3.907 3.860 177 HD2 PHE 43 2HD PHE 43 15.274 -7.946 4.895 178 HE1 PHE 43 1HE PHE 43 15.259 -4.222 1.618 179 HE2 PHE 43 2HE PHE 43 16.288 -8.262 2.652 180 HZ PHE 43 HZ PHE 43 16.280 -6.400 1.015 181 H LYS 44 H LYS 44 12.170 -4.488 8.210 182 HA LYS 44 HA LYS 44 10.652 -6.799 8.739 183 HB2 LYS 44 2HB LYS 44 11.305 -4.226 10.078 184 HB3 LYS 44 1HB LYS 44 10.132 -5.317 10.823 185 HG2 LYS 44 2HG LYS 44 12.450 -5.749 11.598 186 HG3 LYS 44 1HG LYS 44 11.739 -7.135 10.774 187 HD2 LYS 44 2HD LYS 44 12.938 -6.625 8.744 188 HD3 LYS 44 1HD LYS 44 13.539 -5.114 9.429 189 HE2 LYS 44 2HE LYS 44 15.269 -6.899 9.541 190 HE3 LYS 44 1HE LYS 44 14.763 -6.412 11.170 191 HZ1 LYS 44 3HZ LYS 44 13.108 -8.439 9.939 192 HZ2 LYS 44 1HZ LYS 44 13.712 -8.349 11.521 193 HZ3 LYS 44 2HZ LYS 44 14.696 -8.945 10.270 194 H GLY 45 H GLY 45 9.701 -4.623 6.700 195 HA2 GLY 45 2HA GLY 45 7.012 -4.054 7.754 196 HA3 GLY 45 1HA GLY 45 7.661 -3.468 6.224 197 H ASP 46 H ASP 46 7.269 -4.630 4.402 198 HA ASP 46 HA ASP 46 5.375 -6.863 4.572 199 HB2 ASP 46 2HB ASP 46 6.682 -5.913 2.047 200 HB3 ASP 46 1HB ASP 46 5.013 -6.394 2.333 201 H GLY 47 H GLY 47 8.169 -7.327 5.550 202 HA2 GLY 47 2HA GLY 47 9.268 -9.080 3.420 203 HA3 GLY 47 1HA GLY 47 10.114 -8.601 4.893 204 H VAL 48 H VAL 48 8.887 -9.321 6.903 205 HA VAL 48 HA VAL 48 9.010 -12.058 7.254 206 HB VAL 48 HB VAL 48 8.930 -10.857 9.238 207 HG11 VAL 48 1HG1 VAL 48 6.878 -9.128 9.434 208 HG12 VAL 48 2HG1 VAL 48 7.141 -9.078 7.690 209 HG13 VAL 48 3HG1 VAL 48 8.457 -8.671 8.793 210 HG21 VAL 48 3HG2 VAL 48 7.080 -11.487 10.411 211 HG22 VAL 48 1HG2 VAL 48 6.862 -12.492 8.978 212 HG23 VAL 48 2HG2 VAL 48 5.977 -10.973 9.133 213 H LYS 49 H LYS 49 6.150 -10.097 6.463 214 HA LYS 49 HA LYS 49 4.098 -11.875 6.664 215 HB2 LYS 49 2HB LYS 49 3.307 -10.692 4.491 216 HB3 LYS 49 1HB LYS 49 3.624 -9.724 5.925 217 HG2 LYS 49 2HG LYS 49 5.327 -8.635 4.939 218 HG3 LYS 49 1HG LYS 49 6.002 -10.106 4.257 219 HD2 LYS 49 2HD LYS 49 5.276 -8.708 2.414 220 HD3 LYS 49 1HD LYS 49 4.156 -10.063 2.535 221 HE2 LYS 49 2HE LYS 49 3.335 -7.822 4.228 222 HE3 LYS 49 1HE LYS 49 3.429 -7.374 2.514 223 HZ1 LYS 49 3HZ LYS 49 1.304 -8.356 2.865 224 HZ2 LYS 49 1HZ LYS 49 1.970 -9.675 3.696 225 HZ3 LYS 49 2HZ LYS 49 2.243 -9.499 2.028 226 H TYR 50 H TYR 50 5.982 -11.671 3.568 227 HA TYR 50 HA TYR 50 4.917 -14.276 2.844 228 HB2 TYR 50 2HB TYR 50 5.990 -13.727 0.735 229 HB3 TYR 50 1HB TYR 50 5.017 -12.384 1.313 230 HD1 TYR 50 2HD TYR 50 8.515 -13.675 1.722 231 HD2 TYR 50 1HD TYR 50 5.952 -10.285 1.119 232 HE1 TYR 50 2HE TYR 50 10.507 -12.216 1.563 233 HE2 TYR 50 1HE TYR 50 7.956 -8.823 0.931 234 HH TYR 50 HH TYR 50 11.167 -10.108 0.710 235 H LYS 51 H LYS 51 7.892 -12.892 4.083 236 HA LYS 51 HA LYS 51 9.756 -14.864 3.369 237 HB2 LYS 51 2HB LYS 51 9.362 -12.820 5.432 238 HB3 LYS 51 1HB LYS 51 10.404 -14.138 5.946 239 HG2 LYS 51 2HG LYS 51 10.938 -13.150 3.218 240 HG3 LYS 51 1HG LYS 51 11.272 -11.988 4.501 241 HD2 LYS 51 2HD LYS 51 12.217 -14.692 5.130 242 HD3 LYS 51 1HD LYS 51 12.981 -14.008 3.694 243 HE2 LYS 51 2HE LYS 51 12.867 -11.924 5.633 244 HE3 LYS 51 1HE LYS 51 13.508 -13.368 6.443 245 HZ1 LYS 51 3HZ LYS 51 15.175 -11.984 5.160 246 HZ2 LYS 51 1HZ LYS 51 14.410 -12.530 3.749 247 HZ3 LYS 51 2HZ LYS 51 15.144 -13.644 4.801 248 H ALA 52 H ALA 52 7.500 -14.759 6.003 249 HA ALA 52 HA ALA 52 8.137 -17.154 7.321 250 HB1 ALA 52 1HB ALA 52 5.724 -15.428 6.978 251 HB2 ALA 52 2HB ALA 52 6.693 -15.685 8.430 252 HB3 ALA 52 3HB ALA 52 5.581 -16.938 7.876 253 H LYS 53 H LYS 53 5.635 -16.520 4.991 254 HA LYS 53 HA LYS 53 4.811 -19.210 4.597 255 HB2 LYS 53 2HB LYS 53 4.481 -16.564 3.231 256 HB3 LYS 53 1HB LYS 53 3.805 -18.021 2.509 257 HG2 LYS 53 2HG LYS 53 3.280 -17.860 5.370 258 HG3 LYS 53 1HG LYS 53 2.604 -16.491 4.487 259 HD2 LYS 53 2HD LYS 53 2.126 -18.884 2.977 260 HD3 LYS 53 1HD LYS 53 1.581 -19.144 4.634 261 HE2 LYS 53 2HE LYS 53 -0.113 -17.610 4.450 262 HE3 LYS 53 1HE LYS 53 0.859 -16.515 3.447 263 HZ1 LYS 53 3HZ LYS 53 -0.027 -19.158 2.457 264 HZ2 LYS 53 1HZ LYS 53 0.528 -17.830 1.560 265 HZ3 LYS 53 2HZ LYS 53 -1.005 -17.780 2.291 266 H LEU 54 H LEU 54 6.753 -17.057 2.420 267 HA LEU 54 HA LEU 54 7.270 -18.821 0.386 268 HB2 LEU 54 2HB LEU 54 8.888 -16.717 1.751 269 HB3 LEU 54 1HB LEU 54 9.315 -17.411 0.177 270 HG LEU 54 HG LEU 54 6.765 -15.998 0.922 271 HD11 LEU 54 1HD1 LEU 54 7.542 -14.263 -0.312 272 HD12 LEU 54 2HD1 LEU 54 8.368 -15.322 -1.457 273 HD13 LEU 54 3HD1 LEU 54 9.102 -14.966 0.107 274 HD21 LEU 54 3HD2 LEU 54 6.316 -16.467 -1.623 275 HD22 LEU 54 1HD2 LEU 54 5.954 -17.712 -0.428 276 HD23 LEU 54 2HD2 LEU 54 7.438 -17.805 -1.374 277 H ILE 55 H ILE 55 8.457 -18.859 3.622 278 HA ILE 55 HA ILE 55 10.728 -20.503 3.287 279 HB ILE 55 HB ILE 55 9.100 -19.054 5.198 280 HG12 ILE 55 2HG1 ILE 55 11.056 -18.181 5.869 281 HG13 ILE 55 1HG1 ILE 55 11.968 -19.669 5.619 282 HG21 ILE 55 1HG2 ILE 55 10.227 -20.377 7.072 283 HG22 ILE 55 2HG2 ILE 55 10.186 -21.678 5.878 284 HG23 ILE 55 3HG2 ILE 55 8.688 -20.894 6.383 285 HD11 ILE 55 3HD1 ILE 55 10.780 -18.331 3.229 286 HD12 ILE 55 1HD1 ILE 55 12.296 -19.219 3.377 287 HD13 ILE 55 2HD1 ILE 55 12.182 -17.561 3.972 288 H GLY 56 H GLY 56 7.594 -21.068 4.863 289 HA2 GLY 56 2HA GLY 56 6.176 -22.918 4.865 290 HA3 GLY 56 1HA GLY 56 7.137 -23.549 3.566 291 H ILE 57 H ILE 57 7.954 -22.824 6.898 292 HA ILE 57 HA ILE 57 9.510 -25.137 7.267 293 HB ILE 57 HB ILE 57 9.568 -24.185 9.551 294 HG12 ILE 57 2HG1 ILE 57 8.146 -21.763 8.597 295 HG13 ILE 57 1HG1 ILE 57 7.114 -23.148 8.955 296 HG21 ILE 57 1HG2 ILE 57 10.122 -21.784 8.243 297 HG22 ILE 57 2HG2 ILE 57 10.350 -23.044 7.029 298 HG23 ILE 57 3HG2 ILE 57 11.248 -23.106 8.543 299 HD11 ILE 57 3HD1 ILE 57 9.227 -22.138 10.871 300 HD12 ILE 57 1HD1 ILE 57 7.933 -23.287 11.205 301 HD13 ILE 57 2HD1 ILE 57 7.552 -21.590 10.917 302 H ASP 58 H ASP 58 7.857 -24.807 9.873 303 HA ASP 58 HA ASP 58 5.522 -26.450 9.400 304 HB2 ASP 58 2HB ASP 58 7.814 -27.822 9.492 305 HB3 ASP 58 1HB ASP 58 7.527 -27.691 11.233 Start of MODEL 17 1 H SER 24 H SER 24 9.670 7.276 19.425 2 HA SER 24 HA SER 24 7.793 9.345 18.788 3 HB2 SER 24 2HB SER 24 6.183 7.849 19.861 4 HB3 SER 24 1HB SER 24 7.225 7.696 21.272 5 HG SER 24 HG SER 24 7.012 10.089 21.360 6 H LYS 25 H LYS 25 10.218 7.916 20.794 7 HA LYS 25 HA LYS 25 10.683 10.040 22.634 8 HB2 LYS 25 2HB LYS 25 12.337 7.802 21.462 9 HB3 LYS 25 1HB LYS 25 12.972 8.878 22.708 10 HG2 LYS 25 2HG LYS 25 10.892 8.293 24.074 11 HG3 LYS 25 1HG LYS 25 10.607 7.004 22.904 12 HD2 LYS 25 2HD LYS 25 13.375 7.085 23.868 13 HD3 LYS 25 1HD LYS 25 12.204 6.793 25.155 14 HE2 LYS 25 2HE LYS 25 12.466 4.610 24.424 15 HE3 LYS 25 1HE LYS 25 11.213 5.116 23.272 16 HZ1 LYS 25 3HZ LYS 25 14.153 5.248 22.859 17 HZ2 LYS 25 1HZ LYS 25 13.003 5.886 21.789 18 HZ3 LYS 25 2HZ LYS 25 13.069 4.211 22.061 19 H LYS 26 H LYS 26 10.297 11.578 20.484 20 HA LYS 26 HA LYS 26 12.367 12.082 18.660 21 HB2 LYS 26 2HB LYS 26 11.340 14.328 18.543 22 HB3 LYS 26 1HB LYS 26 10.101 13.079 18.647 23 HG2 LYS 26 2HG LYS 26 10.672 13.650 21.307 24 HG3 LYS 26 1HG LYS 26 10.722 15.230 20.523 25 HD2 LYS 26 2HD LYS 26 8.496 13.817 19.447 26 HD3 LYS 26 1HD LYS 26 8.425 13.655 21.201 27 HE2 LYS 26 2HE LYS 26 9.047 16.360 20.064 28 HE3 LYS 26 1HE LYS 26 7.367 15.788 20.021 29 HZ1 LYS 26 3HZ LYS 26 7.374 16.542 22.139 30 HZ2 LYS 26 1HZ LYS 26 9.055 16.398 22.315 31 HZ3 LYS 26 2HZ LYS 26 8.067 15.023 22.460 32 H GLU 27 H GLU 27 13.247 14.696 19.060 33 HA GLU 27 HA GLU 27 15.121 15.785 20.018 34 HB2 GLU 27 2HB GLU 27 13.334 16.419 21.525 35 HB3 GLU 27 1HB GLU 27 13.446 14.878 22.375 36 HG2 GLU 27 2HG GLU 27 16.027 15.789 22.553 37 HG3 GLU 27 1HG GLU 27 15.110 17.294 22.645 38 H LYS 28 H LYS 28 14.881 13.707 22.828 39 HA LYS 28 HA LYS 28 17.514 12.978 23.104 40 HB2 LYS 28 2HB LYS 28 15.302 12.388 24.403 41 HB3 LYS 28 1HB LYS 28 15.355 10.911 23.441 42 HG2 LYS 28 2HG LYS 28 17.908 11.701 24.724 43 HG3 LYS 28 1HG LYS 28 16.629 11.179 25.821 44 HD2 LYS 28 2HD LYS 28 16.497 9.043 24.858 45 HD3 LYS 28 1HD LYS 28 17.267 9.567 23.360 46 HE2 LYS 28 2HE LYS 28 19.240 8.829 24.196 47 HE3 LYS 28 1HE LYS 28 19.131 10.093 25.438 48 HZ1 LYS 28 3HZ LYS 28 18.165 8.684 26.932 49 HZ2 LYS 28 1HZ LYS 28 19.133 7.567 26.102 50 HZ3 LYS 28 2HZ LYS 28 17.478 7.690 25.738 51 H LYS 29 H LYS 29 18.917 12.093 21.665 52 HA LYS 29 HA LYS 29 18.977 11.215 19.218 53 HB2 LYS 29 2HB LYS 29 20.688 10.788 21.026 54 HB3 LYS 29 1HB LYS 29 19.826 9.295 21.399 55 HG2 LYS 29 2HG LYS 29 20.097 9.095 18.681 56 HG3 LYS 29 1HG LYS 29 21.588 9.932 19.118 57 HD2 LYS 29 2HD LYS 29 20.732 7.571 20.754 58 HD3 LYS 29 1HD LYS 29 21.473 7.287 19.178 59 HE2 LYS 29 2HE LYS 29 23.511 8.288 19.816 60 HE3 LYS 29 1HE LYS 29 22.759 9.164 21.164 61 HZ1 LYS 29 3HZ LYS 29 23.665 7.373 22.258 62 HZ2 LYS 29 1HZ LYS 29 23.438 6.310 20.955 63 HZ3 LYS 29 2HZ LYS 29 22.113 6.772 21.915 64 H LYS 30 H LYS 30 16.713 10.752 18.589 65 HA LYS 30 HA LYS 30 15.102 8.642 19.408 66 HB2 LYS 30 2HB LYS 30 13.998 9.013 17.338 67 HB3 LYS 30 1HB LYS 30 14.776 10.550 17.710 68 HG2 LYS 30 2HG LYS 30 15.510 10.319 15.541 69 HG3 LYS 30 1HG LYS 30 16.784 9.402 16.343 70 HD2 LYS 30 2HD LYS 30 16.034 7.989 14.585 71 HD3 LYS 30 1HD LYS 30 15.266 7.348 16.037 72 HE2 LYS 30 2HE LYS 30 13.163 7.975 15.359 73 HE3 LYS 30 1HE LYS 30 13.750 9.460 14.584 74 HZ1 LYS 30 3HZ LYS 30 14.410 6.765 13.547 75 HZ2 LYS 30 1HZ LYS 30 14.577 8.258 12.760 76 HZ3 LYS 30 2HZ LYS 30 13.029 7.612 13.035 77 H GLY 31 H GLY 31 15.280 6.439 19.282 78 HA2 GLY 31 2HA GLY 31 16.357 4.371 18.911 79 HA3 GLY 31 1HA GLY 31 16.106 4.835 17.231 80 HA PRO 32 HA PRO 32 20.621 4.334 17.889 81 HB2 PRO 32 2HB PRO 32 21.044 3.023 15.550 82 HB3 PRO 32 1HB PRO 32 20.585 2.208 17.064 83 HG2 PRO 32 2HG PRO 32 18.889 3.029 14.773 84 HG3 PRO 32 1HG PRO 32 18.874 1.528 15.709 85 HD2 PRO 32 2HD PRO 32 17.067 3.491 16.104 86 HD3 PRO 32 1HD PRO 32 17.655 2.459 17.431 87 H GLU 33 H GLU 33 22.400 5.149 16.351 88 HA GLU 33 HA GLU 33 21.440 7.513 14.977 89 HB2 GLU 33 2HB GLU 33 23.329 8.316 15.963 90 HB3 GLU 33 1HB GLU 33 23.541 6.685 16.609 91 HG2 GLU 33 2HG GLU 33 24.860 6.010 14.726 92 HG3 GLU 33 1HG GLU 33 24.531 7.523 13.885 93 H LYS 34 H LYS 34 21.653 4.593 14.164 94 HA LYS 34 HA LYS 34 23.251 4.279 11.861 95 HB2 LYS 34 2HB LYS 34 21.221 3.013 13.415 96 HB3 LYS 34 1HB LYS 34 20.864 2.795 11.722 97 HG2 LYS 34 2HG LYS 34 23.623 2.337 12.826 98 HG3 LYS 34 1HG LYS 34 22.405 1.061 12.858 99 HD2 LYS 34 2HD LYS 34 22.380 0.836 10.548 100 HD3 LYS 34 1HD LYS 34 22.888 2.505 10.280 101 HE2 LYS 34 2HE LYS 34 24.880 1.403 9.781 102 HE3 LYS 34 1HE LYS 34 25.099 1.622 11.529 103 HZ1 LYS 34 3HZ LYS 34 24.624 -0.532 11.961 104 HZ2 LYS 34 1HZ LYS 34 25.176 -0.764 10.374 105 HZ3 LYS 34 2HZ LYS 34 23.508 -0.667 10.687 106 H THR 35 H THR 35 22.509 4.355 9.567 107 HA THR 35 HA THR 35 19.952 5.538 8.948 108 HB THR 35 HB THR 35 22.003 7.295 7.960 109 HG1 THR 35 1HG THR 35 22.888 7.911 9.782 110 HG21 THR 35 3HG2 THR 35 20.388 8.869 8.291 111 HG22 THR 35 1HG2 THR 35 19.950 8.224 9.872 112 HG23 THR 35 2HG2 THR 35 19.351 7.448 8.406 113 H ASP 36 H ASP 36 23.052 4.368 7.853 114 HA ASP 36 HA ASP 36 22.082 4.374 5.039 115 HB2 ASP 36 2HB ASP 36 24.495 5.024 6.179 116 HB3 ASP 36 1HB ASP 36 24.773 3.364 5.646 117 H GLU 37 H GLU 37 24.043 2.139 6.865 118 HA GLU 37 HA GLU 37 23.134 -0.184 5.499 119 HB2 GLU 37 2HB GLU 37 24.686 0.515 7.930 120 HB3 GLU 37 1HB GLU 37 24.025 -1.118 7.880 121 HG2 GLU 37 2HG GLU 37 25.023 -0.942 5.366 122 HG3 GLU 37 1HG GLU 37 26.153 0.111 6.218 123 H TYR 38 H TYR 38 21.745 1.795 7.856 124 HA TYR 38 HA TYR 38 20.021 -0.158 9.118 125 HB2 TYR 38 2HB TYR 38 19.853 1.536 10.602 126 HB3 TYR 38 1HB TYR 38 21.084 2.336 9.637 127 HD1 TYR 38 2HD TYR 38 19.794 3.260 7.259 128 HD2 TYR 38 1HD TYR 38 18.242 3.021 11.246 129 HE1 TYR 38 2HE TYR 38 18.159 5.045 6.728 130 HE2 TYR 38 1HE TYR 38 16.606 4.812 10.728 131 HH TYR 38 HH TYR 38 16.376 6.180 7.446 132 H LEU 39 H LEU 39 19.902 1.735 6.235 133 HA LEU 39 HA LEU 39 17.257 2.305 5.751 134 HB2 LEU 39 2HB LEU 39 19.635 1.508 4.251 135 HB3 LEU 39 1HB LEU 39 18.144 1.067 3.427 136 HG LEU 39 HG LEU 39 18.596 3.247 2.670 137 HD11 LEU 39 1HD1 LEU 39 16.701 4.414 3.286 138 HD12 LEU 39 2HD1 LEU 39 16.896 4.025 4.995 139 HD13 LEU 39 3HD1 LEU 39 16.289 2.803 3.876 140 HD21 LEU 39 3HD2 LEU 39 20.268 4.204 3.894 141 HD22 LEU 39 1HD2 LEU 39 19.642 3.572 5.417 142 HD23 LEU 39 2HD2 LEU 39 18.919 5.009 4.696 143 H LEU 40 H LEU 40 18.800 -0.832 5.032 144 HA LEU 40 HA LEU 40 16.392 -2.217 4.437 145 HB2 LEU 40 2HB LEU 40 19.217 -2.896 5.190 146 HB3 LEU 40 1HB LEU 40 18.029 -4.183 4.975 147 HG LEU 40 HG LEU 40 19.404 -3.487 2.908 148 HD11 LEU 40 1HD1 LEU 40 16.893 -3.245 1.729 149 HD12 LEU 40 2HD1 LEU 40 16.566 -4.093 3.241 150 HD13 LEU 40 3HD1 LEU 40 17.720 -4.760 2.085 151 HD21 LEU 40 3HD2 LEU 40 19.214 -1.059 3.159 152 HD22 LEU 40 1HD2 LEU 40 17.455 -1.167 3.078 153 HD23 LEU 40 2HD2 LEU 40 18.428 -1.556 1.661 154 H ALA 41 H ALA 41 18.119 -1.639 7.452 155 HA ALA 41 HA ALA 41 17.098 -3.501 9.207 156 HB1 ALA 41 1HB ALA 41 17.757 -1.957 10.793 157 HB2 ALA 41 2HB ALA 41 16.877 -0.643 10.014 158 HB3 ALA 41 3HB ALA 41 18.441 -1.155 9.380 159 H ARG 42 H ARG 42 15.399 -0.820 7.688 160 HA ARG 42 HA ARG 42 12.943 -1.292 9.138 161 HB2 ARG 42 2HB ARG 42 13.933 0.638 7.067 162 HB3 ARG 42 1HB ARG 42 12.262 0.660 7.635 163 HG2 ARG 42 2HG ARG 42 13.821 0.520 9.965 164 HG3 ARG 42 1HG ARG 42 14.648 1.686 8.933 165 HD2 ARG 42 2HD ARG 42 11.675 1.784 9.552 166 HD3 ARG 42 1HD ARG 42 12.905 2.763 10.376 167 HE ARG 42 HE ARG 42 12.743 2.854 7.400 168 HH11 ARG 42 1HH1 ARG 42 11.534 4.290 10.213 169 HH12 ARG 42 2HH1 ARG 42 11.913 5.914 9.744 170 HH21 ARG 42 1HH2 ARG 42 13.659 4.965 6.901 171 HH22 ARG 42 2HH2 ARG 42 13.124 6.295 7.871 172 H PHE 43 H PHE 43 14.380 -2.264 6.183 173 HA PHE 43 HA PHE 43 12.231 -2.576 4.399 174 HB2 PHE 43 2HB PHE 43 14.874 -3.815 4.936 175 HB3 PHE 43 1HB PHE 43 13.786 -4.728 3.904 176 HD1 PHE 43 2HD PHE 43 14.327 -1.056 4.322 177 HD2 PHE 43 1HD PHE 43 14.466 -4.451 1.699 178 HE1 PHE 43 2HE PHE 43 14.906 0.437 2.425 179 HE2 PHE 43 1HE PHE 43 15.046 -2.963 -0.201 180 HZ PHE 43 HZ PHE 43 15.263 -0.517 0.162 181 H LYS 44 H LYS 44 12.694 -4.165 7.416 182 HA LYS 44 HA LYS 44 11.547 -6.645 6.811 183 HB2 LYS 44 2HB LYS 44 12.139 -5.038 9.243 184 HB3 LYS 44 1HB LYS 44 11.268 -6.567 9.405 185 HG2 LYS 44 2HG LYS 44 13.696 -6.913 9.600 186 HG3 LYS 44 1HG LYS 44 13.050 -7.718 8.171 187 HD2 LYS 44 2HD LYS 44 13.904 -6.067 6.714 188 HD3 LYS 44 1HD LYS 44 14.196 -4.938 8.036 189 HE2 LYS 44 2HE LYS 44 16.195 -5.911 8.602 190 HE3 LYS 44 1HE LYS 44 15.610 -7.547 8.239 191 HZ1 LYS 44 3HZ LYS 44 15.732 -5.718 5.988 192 HZ2 LYS 44 1HZ LYS 44 16.143 -7.362 6.071 193 HZ3 LYS 44 2HZ LYS 44 17.238 -6.185 6.622 194 H GLY 45 H GLY 45 9.966 -3.995 6.316 195 HA2 GLY 45 2HA GLY 45 7.596 -4.052 7.868 196 HA3 GLY 45 1HA GLY 45 7.711 -3.382 6.246 197 H ASP 46 H ASP 46 7.247 -4.691 4.495 198 HA ASP 46 HA ASP 46 5.382 -6.892 5.022 199 HB2 ASP 46 2HB ASP 46 6.396 -5.943 2.347 200 HB3 ASP 46 1HB ASP 46 4.801 -6.558 2.770 201 H GLY 47 H GLY 47 8.343 -7.285 5.560 202 HA2 GLY 47 2HA GLY 47 9.156 -9.138 3.418 203 HA3 GLY 47 1HA GLY 47 10.112 -8.708 4.838 204 H VAL 48 H VAL 48 8.653 -9.256 6.871 205 HA VAL 48 HA VAL 48 8.823 -11.960 7.396 206 HB VAL 48 HB VAL 48 8.556 -10.632 9.283 207 HG11 VAL 48 1HG1 VAL 48 6.902 -9.007 7.473 208 HG12 VAL 48 2HG1 VAL 48 8.013 -8.500 8.747 209 HG13 VAL 48 3HG1 VAL 48 6.373 -9.012 9.153 210 HG21 VAL 48 3HG2 VAL 48 6.687 -12.395 9.140 211 HG22 VAL 48 1HG2 VAL 48 5.633 -11.015 8.833 212 HG23 VAL 48 2HG2 VAL 48 6.544 -11.109 10.342 213 H LYS 49 H LYS 49 5.944 -10.138 6.331 214 HA LYS 49 HA LYS 49 3.994 -12.052 6.441 215 HB2 LYS 49 2HB LYS 49 3.190 -10.889 4.285 216 HB3 LYS 49 1HB LYS 49 3.451 -9.900 5.717 217 HG2 LYS 49 2HG LYS 49 4.986 -8.673 4.647 218 HG3 LYS 49 1HG LYS 49 5.903 -10.111 4.211 219 HD2 LYS 49 2HD LYS 49 5.105 -8.847 2.204 220 HD3 LYS 49 1HD LYS 49 4.449 -10.483 2.270 221 HE2 LYS 49 2HE LYS 49 2.301 -9.748 2.705 222 HE3 LYS 49 1HE LYS 49 2.863 -8.319 3.594 223 HZ1 LYS 49 3HZ LYS 49 1.972 -8.154 1.118 224 HZ2 LYS 49 1HZ LYS 49 3.593 -8.520 0.772 225 HZ3 LYS 49 2HZ LYS 49 3.212 -7.147 1.698 226 H TYR 50 H TYR 50 6.008 -11.675 3.455 227 HA TYR 50 HA TYR 50 5.148 -14.327 2.623 228 HB2 TYR 50 2HB TYR 50 6.240 -13.649 0.569 229 HB3 TYR 50 1HB TYR 50 5.175 -12.380 1.157 230 HD1 TYR 50 1HD TYR 50 8.730 -13.505 1.510 231 HD2 TYR 50 2HD TYR 50 5.988 -10.225 1.197 232 HE1 TYR 50 1HE TYR 50 10.641 -11.921 1.465 233 HE2 TYR 50 2HE TYR 50 7.896 -8.631 1.159 234 HH TYR 50 HH TYR 50 10.581 -9.007 0.377 235 H LYS 51 H LYS 51 8.072 -12.809 3.936 236 HA LYS 51 HA LYS 51 9.996 -14.704 3.186 237 HB2 LYS 51 2HB LYS 51 9.539 -12.798 5.386 238 HB3 LYS 51 1HB LYS 51 10.697 -14.072 5.730 239 HG2 LYS 51 2HG LYS 51 10.945 -12.771 3.080 240 HG3 LYS 51 1HG LYS 51 11.385 -11.785 4.475 241 HD2 LYS 51 2HD LYS 51 12.645 -14.066 5.154 242 HD3 LYS 51 1HD LYS 51 12.685 -14.236 3.399 243 HE2 LYS 51 2HE LYS 51 13.562 -11.695 4.804 244 HE3 LYS 51 1HE LYS 51 14.685 -13.004 4.382 245 HZ1 LYS 51 3HZ LYS 51 14.137 -11.104 2.670 246 HZ2 LYS 51 1HZ LYS 51 12.789 -12.082 2.346 247 HZ3 LYS 51 2HZ LYS 51 14.356 -12.710 2.157 248 H ALA 52 H ALA 52 7.818 -14.724 5.895 249 HA ALA 52 HA ALA 52 8.567 -17.212 7.006 250 HB1 ALA 52 1HB ALA 52 6.155 -15.435 7.103 251 HB2 ALA 52 2HB ALA 52 7.374 -15.678 8.354 252 HB3 ALA 52 3HB ALA 52 6.200 -16.947 8.006 253 H LYS 53 H LYS 53 5.787 -16.304 5.119 254 HA LYS 53 HA LYS 53 4.644 -18.820 4.699 255 HB2 LYS 53 2HB LYS 53 4.742 -16.207 3.204 256 HB3 LYS 53 1HB LYS 53 3.781 -17.551 2.602 257 HG2 LYS 53 2HG LYS 53 2.720 -17.665 4.916 258 HG3 LYS 53 1HG LYS 53 3.499 -16.117 5.244 259 HD2 LYS 53 2HD LYS 53 2.383 -15.421 2.951 260 HD3 LYS 53 1HD LYS 53 1.287 -16.754 3.319 261 HE2 LYS 53 2HE LYS 53 1.417 -15.449 5.745 262 HE3 LYS 53 1HE LYS 53 1.485 -14.104 4.589 263 HZ1 LYS 53 3HZ LYS 53 -0.772 -14.513 4.736 264 HZ2 LYS 53 1HZ LYS 53 -0.577 -16.191 4.876 265 HZ3 LYS 53 2HZ LYS 53 -0.341 -15.432 3.374 266 H LEU 54 H LEU 54 6.826 -17.040 2.413 267 HA LEU 54 HA LEU 54 7.097 -18.986 0.484 268 HB2 LEU 54 2HB LEU 54 8.969 -17.009 1.708 269 HB3 LEU 54 1HB LEU 54 9.296 -17.850 0.184 270 HG LEU 54 HG LEU 54 6.915 -16.124 0.827 271 HD11 LEU 54 1HD1 LEU 54 9.186 -15.146 0.204 272 HD12 LEU 54 2HD1 LEU 54 7.798 -14.631 -0.754 273 HD13 LEU 54 3HD1 LEU 54 8.911 -15.845 -1.391 274 HD21 LEU 54 3HD2 LEU 54 5.938 -17.771 -0.475 275 HD22 LEU 54 1HD2 LEU 54 7.432 -18.119 -1.343 276 HD23 LEU 54 2HD2 LEU 54 6.506 -16.667 -1.727 277 H ILE 55 H ILE 55 8.500 -18.785 3.658 278 HA ILE 55 HA ILE 55 10.394 -20.878 3.405 279 HB ILE 55 HB ILE 55 9.366 -18.785 5.144 280 HG12 ILE 55 2HG1 ILE 55 11.520 -18.148 5.279 281 HG13 ILE 55 1HG1 ILE 55 12.153 -19.795 5.250 282 HG21 ILE 55 1HG2 ILE 55 8.949 -20.223 6.776 283 HG22 ILE 55 2HG2 ILE 55 10.666 -19.916 7.051 284 HG23 ILE 55 3HG2 ILE 55 10.150 -21.379 6.206 285 HD11 ILE 55 3HD1 ILE 55 10.780 -18.634 2.837 286 HD12 ILE 55 1HD1 ILE 55 11.971 -19.931 2.913 287 HD13 ILE 55 2HD1 ILE 55 12.473 -18.257 3.152 288 H GLY 56 H GLY 56 7.559 -20.437 5.514 289 HA2 GLY 56 2HA GLY 56 5.889 -21.907 6.194 290 HA3 GLY 56 1HA GLY 56 6.410 -22.954 4.909 291 H ILE 57 H ILE 57 8.077 -21.837 7.791 292 HA ILE 57 HA ILE 57 9.248 -24.331 8.359 293 HB ILE 57 HB ILE 57 9.987 -23.032 10.332 294 HG12 ILE 57 2HG1 ILE 57 8.774 -20.587 9.136 295 HG13 ILE 57 1HG1 ILE 57 7.692 -21.624 10.067 296 HG21 ILE 57 1HG2 ILE 57 11.555 -22.534 8.826 297 HG22 ILE 57 2HG2 ILE 57 10.639 -21.072 8.465 298 HG23 ILE 57 3HG2 ILE 57 10.364 -22.542 7.528 299 HD11 ILE 57 3HD1 ILE 57 9.892 -19.905 10.994 300 HD12 ILE 57 1HD1 ILE 57 9.924 -21.531 11.676 301 HD13 ILE 57 2HD1 ILE 57 8.495 -20.518 11.878 302 H ASP 58 H ASP 58 8.332 -23.210 11.096 303 HA ASP 58 HA ASP 58 5.673 -24.130 11.543 304 HB2 ASP 58 2HB ASP 58 7.122 -26.222 10.991 305 HB3 ASP 58 1HB ASP 58 7.780 -26.000 12.619 Start of MODEL 18 1 H SER 24 H SER 24 -4.749 14.503 14.711 2 HA SER 24 HA SER 24 -4.355 16.548 12.747 3 HB2 SER 24 2HB SER 24 -3.720 14.444 11.052 4 HB3 SER 24 1HB SER 24 -2.579 15.642 11.659 5 HG SER 24 HG SER 24 -3.206 13.094 12.738 6 H LYS 25 H LYS 25 -5.166 13.053 12.587 7 HA LYS 25 HA LYS 25 -7.992 13.454 12.599 8 HB2 LYS 25 2HB LYS 25 -7.416 14.592 10.475 9 HB3 LYS 25 1HB LYS 25 -6.661 13.106 9.895 10 HG2 LYS 25 2HG LYS 25 -8.655 12.191 9.345 11 HG3 LYS 25 1HG LYS 25 -9.383 12.672 10.878 12 HD2 LYS 25 2HD LYS 25 -10.323 14.522 9.973 13 HD3 LYS 25 1HD LYS 25 -8.847 14.945 9.106 14 HE2 LYS 25 2HE LYS 25 -10.550 14.451 7.446 15 HE3 LYS 25 1HE LYS 25 -9.418 13.084 7.455 16 HZ1 LYS 25 3HZ LYS 25 -11.879 13.213 9.112 17 HZ2 LYS 25 1HZ LYS 25 -10.842 11.884 8.929 18 HZ3 LYS 25 2HZ LYS 25 -11.788 12.409 7.619 19 H LYS 26 H LYS 26 -7.885 11.560 13.911 20 HA LYS 26 HA LYS 26 -7.870 9.236 14.334 21 HB2 LYS 26 2HB LYS 26 -9.274 9.776 12.073 22 HB3 LYS 26 1HB LYS 26 -8.056 8.677 11.423 23 HG2 LYS 26 2HG LYS 26 -8.897 6.880 12.541 24 HG3 LYS 26 1HG LYS 26 -9.251 7.824 13.988 25 HD2 LYS 26 2HD LYS 26 -11.357 8.404 13.264 26 HD3 LYS 26 1HD LYS 26 -10.891 8.390 11.563 27 HE2 LYS 26 2HE LYS 26 -11.051 6.026 11.419 28 HE3 LYS 26 1HE LYS 26 -11.040 5.838 13.184 29 HZ1 LYS 26 3HZ LYS 26 -13.270 5.818 12.899 30 HZ2 LYS 26 1HZ LYS 26 -13.212 6.655 11.424 31 HZ3 LYS 26 2HZ LYS 26 -13.081 7.507 12.889 32 H GLU 27 H GLU 27 -5.386 9.815 14.644 33 HA GLU 27 HA GLU 27 -3.326 9.330 12.898 34 HB2 GLU 27 2HB GLU 27 -3.499 9.729 15.505 35 HB3 GLU 27 1HB GLU 27 -3.312 7.976 15.576 36 HG2 GLU 27 2HG GLU 27 -1.337 8.503 13.848 37 HG3 GLU 27 1HG GLU 27 -1.366 10.056 14.682 38 H LYS 28 H LYS 28 -5.604 6.961 14.132 39 HA LYS 28 HA LYS 28 -4.238 4.553 13.646 40 HB2 LYS 28 2HB LYS 28 -6.307 4.512 14.798 41 HB3 LYS 28 1HB LYS 28 -7.122 5.430 13.531 42 HG2 LYS 28 2HG LYS 28 -7.716 3.003 13.491 43 HG3 LYS 28 1HG LYS 28 -6.950 3.541 11.996 44 HD2 LYS 28 2HD LYS 28 -4.731 2.802 13.224 45 HD3 LYS 28 1HD LYS 28 -5.834 1.808 14.176 46 HE2 LYS 28 2HE LYS 28 -6.357 0.442 12.391 47 HE3 LYS 28 1HE LYS 28 -6.176 1.752 11.205 48 HZ1 LYS 28 3HZ LYS 28 -3.719 1.681 12.099 49 HZ2 LYS 28 1HZ LYS 28 -4.225 0.651 10.849 50 HZ3 LYS 28 2HZ LYS 28 -4.123 0.066 12.441 51 H LYS 29 H LYS 29 -5.288 6.919 11.385 52 HA LYS 29 HA LYS 29 -6.029 5.561 9.097 53 HB2 LYS 29 2HB LYS 29 -4.745 8.072 9.839 54 HB3 LYS 29 1HB LYS 29 -4.253 7.528 8.235 55 HG2 LYS 29 2HG LYS 29 -7.149 7.314 8.873 56 HG3 LYS 29 1HG LYS 29 -6.510 8.943 8.654 57 HD2 LYS 29 2HD LYS 29 -6.976 8.461 6.452 58 HD3 LYS 29 1HD LYS 29 -5.353 7.774 6.535 59 HE2 LYS 29 2HE LYS 29 -6.325 5.838 5.821 60 HE3 LYS 29 1HE LYS 29 -6.974 5.706 7.468 61 HZ1 LYS 29 3HZ LYS 29 -8.265 6.739 5.042 62 HZ2 LYS 29 1HZ LYS 29 -8.693 7.419 6.535 63 HZ3 LYS 29 2HZ LYS 29 -8.908 5.755 6.270 64 H LYS 30 H LYS 30 -4.367 5.504 7.073 65 HA LYS 30 HA LYS 30 -2.816 3.258 7.108 66 HB2 LYS 30 2HB LYS 30 -2.878 5.810 5.638 67 HB3 LYS 30 1HB LYS 30 -1.348 4.940 5.506 68 HG2 LYS 30 2HG LYS 30 -2.450 2.968 4.678 69 HG3 LYS 30 1HG LYS 30 -4.041 3.636 5.041 70 HD2 LYS 30 2HD LYS 30 -4.055 4.971 3.182 71 HD3 LYS 30 1HD LYS 30 -2.321 5.283 3.270 72 HE2 LYS 30 2HE LYS 30 -3.030 2.471 2.666 73 HE3 LYS 30 1HE LYS 30 -3.449 3.643 1.400 74 HZ1 LYS 30 3HZ LYS 30 -0.852 3.844 2.763 75 HZ2 LYS 30 1HZ LYS 30 -1.287 4.357 1.205 76 HZ3 LYS 30 2HZ LYS 30 -1.046 2.704 1.518 77 H GLY 31 H GLY 31 -1.533 2.833 8.934 78 HA2 GLY 31 2HA GLY 31 0.258 3.005 10.416 79 HA3 GLY 31 1HA GLY 31 1.092 3.745 9.057 80 HA PRO 32 HA PRO 32 0.272 6.802 12.539 81 HB2 PRO 32 2HB PRO 32 2.825 7.104 13.398 82 HB3 PRO 32 1HB PRO 32 1.699 5.903 14.073 83 HG2 PRO 32 2HG PRO 32 3.835 5.560 12.051 84 HG3 PRO 32 1HG PRO 32 3.384 4.521 13.409 85 HD2 PRO 32 2HD PRO 32 2.670 3.986 10.854 86 HD3 PRO 32 1HD PRO 32 1.670 3.529 12.252 87 H GLU 33 H GLU 33 1.500 9.047 12.682 88 HA GLU 33 HA GLU 33 2.005 9.912 9.960 89 HB2 GLU 33 2HB GLU 33 0.793 11.641 10.805 90 HB3 GLU 33 1HB GLU 33 0.851 10.811 12.364 91 HG2 GLU 33 2HG GLU 33 1.781 12.909 12.831 92 HG3 GLU 33 1HG GLU 33 3.184 11.865 12.635 93 H LYS 34 H LYS 34 3.737 8.535 12.030 94 HA LYS 34 HA LYS 34 6.086 10.084 12.493 95 HB2 LYS 34 2HB LYS 34 4.867 7.589 13.042 96 HB3 LYS 34 1HB LYS 34 6.476 7.278 12.452 97 HG2 LYS 34 2HG LYS 34 6.158 9.482 14.397 98 HG3 LYS 34 1HG LYS 34 5.947 7.847 15.019 99 HD2 LYS 34 2HD LYS 34 8.154 7.203 14.200 100 HD3 LYS 34 1HD LYS 34 8.361 8.782 13.441 101 HE2 LYS 34 2HE LYS 34 7.892 8.446 16.419 102 HE3 LYS 34 1HE LYS 34 9.507 8.559 15.697 103 HZ1 LYS 34 3HZ LYS 34 7.827 10.537 14.582 104 HZ2 LYS 34 1HZ LYS 34 9.262 10.741 15.465 105 HZ3 LYS 34 2HZ LYS 34 7.771 10.655 16.277 106 H THR 35 H THR 35 8.293 8.942 11.587 107 HA THR 35 HA THR 35 8.100 7.893 8.909 108 HB THR 35 HB THR 35 9.510 10.437 8.873 109 HG1 THR 35 1HG THR 35 7.738 11.006 10.148 110 HG21 THR 35 3HG2 THR 35 7.661 8.872 7.123 111 HG22 THR 35 1HG2 THR 35 9.292 9.448 6.784 112 HG23 THR 35 2HG2 THR 35 7.939 10.580 6.783 113 H ASP 36 H ASP 36 10.096 8.894 11.576 114 HA ASP 36 HA ASP 36 12.508 7.814 10.184 115 HB2 ASP 36 2HB ASP 36 12.462 10.149 11.187 116 HB3 ASP 36 1HB ASP 36 12.358 9.370 12.765 117 H GLU 37 H GLU 37 11.553 7.904 13.546 118 HA GLU 37 HA GLU 37 12.768 5.413 14.205 119 HB2 GLU 37 2HB GLU 37 10.908 7.382 15.411 120 HB3 GLU 37 1HB GLU 37 10.866 5.764 16.109 121 HG2 GLU 37 2HG GLU 37 13.498 6.018 16.064 122 HG3 GLU 37 1HG GLU 37 13.119 7.741 16.044 123 H TYR 38 H TYR 38 9.958 6.254 12.557 124 HA TYR 38 HA TYR 38 8.346 3.921 13.116 125 HB2 TYR 38 2HB TYR 38 6.803 5.286 12.200 126 HB3 TYR 38 1HB TYR 38 8.072 6.500 12.204 127 HD1 TYR 38 2HD TYR 38 9.854 5.852 10.074 128 HD2 TYR 38 1HD TYR 38 5.599 5.380 10.261 129 HE1 TYR 38 2HE TYR 38 9.734 5.944 7.601 130 HE2 TYR 38 1HE TYR 38 5.466 5.483 7.790 131 HH TYR 38 HH TYR 38 8.289 5.313 5.797 132 H LEU 39 H LEU 39 10.940 4.663 10.973 133 HA LEU 39 HA LEU 39 10.549 3.182 8.690 134 HB2 LEU 39 2HB LEU 39 12.759 3.939 10.459 135 HB3 LEU 39 1HB LEU 39 13.097 2.496 9.513 136 HG LEU 39 HG LEU 39 13.816 4.290 8.157 137 HD11 LEU 39 1HD1 LEU 39 11.045 4.016 7.070 138 HD12 LEU 39 2HD1 LEU 39 12.069 2.584 7.180 139 HD13 LEU 39 3HD1 LEU 39 12.588 3.969 6.217 140 HD21 LEU 39 3HD2 LEU 39 12.736 6.078 9.466 141 HD22 LEU 39 1HD2 LEU 39 11.175 5.630 8.777 142 HD23 LEU 39 2HD2 LEU 39 12.441 6.290 7.741 143 H LEU 40 H LEU 40 11.909 1.866 11.727 144 HA LEU 40 HA LEU 40 11.788 -0.859 10.967 145 HB2 LEU 40 2HB LEU 40 11.908 0.726 13.512 146 HB3 LEU 40 1HB LEU 40 11.772 -1.032 13.586 147 HG LEU 40 HG LEU 40 14.148 0.003 13.550 148 HD11 LEU 40 1HD1 LEU 40 13.005 -2.338 12.212 149 HD12 LEU 40 2HD1 LEU 40 14.431 -2.226 13.245 150 HD13 LEU 40 3HD1 LEU 40 14.555 -1.853 11.526 151 HD21 LEU 40 3HD2 LEU 40 13.760 1.565 11.687 152 HD22 LEU 40 1HD2 LEU 40 13.394 0.212 10.618 153 HD23 LEU 40 2HD2 LEU 40 15.023 0.409 11.264 154 H ALA 41 H ALA 41 9.410 1.252 12.557 155 HA ALA 41 HA ALA 41 7.483 -0.581 13.365 156 HB1 ALA 41 1HB ALA 41 7.536 2.010 13.402 157 HB2 ALA 41 2HB ALA 41 5.963 1.250 13.156 158 HB3 ALA 41 3HB ALA 41 6.845 1.917 11.782 159 H ARG 42 H ARG 42 8.370 0.472 10.140 160 HA ARG 42 HA ARG 42 6.276 -1.045 8.846 161 HB2 ARG 42 2HB ARG 42 8.434 0.868 8.059 162 HB3 ARG 42 1HB ARG 42 7.585 -0.059 6.822 163 HG2 ARG 42 2HG ARG 42 5.767 1.134 8.776 164 HG3 ARG 42 1HG ARG 42 6.720 2.341 7.914 165 HD2 ARG 42 2HD ARG 42 5.891 0.420 5.983 166 HD3 ARG 42 1HD ARG 42 4.463 0.857 6.940 167 HE ARG 42 HE ARG 42 6.149 2.762 5.400 168 HH11 ARG 42 1HH1 ARG 42 4.338 2.844 8.199 169 HH12 ARG 42 2HH1 ARG 42 3.199 4.028 7.650 170 HH21 ARG 42 1HH2 ARG 42 4.322 3.978 4.369 171 HH22 ARG 42 2HH2 ARG 42 3.195 4.676 5.484 172 H PHE 43 H PHE 43 9.596 -1.454 9.713 173 HA PHE 43 HA PHE 43 10.731 -3.095 7.819 174 HB2 PHE 43 2HB PHE 43 10.817 -2.740 10.727 175 HB3 PHE 43 1HB PHE 43 11.283 -4.357 10.228 176 HD1 PHE 43 1HD PHE 43 11.737 -1.055 8.522 177 HD2 PHE 43 2HD PHE 43 13.624 -4.442 10.372 178 HE1 PHE 43 1HE PHE 43 13.961 -0.190 7.844 179 HE2 PHE 43 2HE PHE 43 15.846 -3.579 9.691 180 HZ PHE 43 HZ PHE 43 16.015 -1.453 8.426 181 H LYS 44 H LYS 44 8.399 -4.134 10.332 182 HA LYS 44 HA LYS 44 8.276 -6.804 9.381 183 HB2 LYS 44 2HB LYS 44 6.879 -5.114 11.400 184 HB3 LYS 44 1HB LYS 44 6.326 -6.762 11.080 185 HG2 LYS 44 2HG LYS 44 7.983 -6.682 12.918 186 HG3 LYS 44 1HG LYS 44 8.550 -7.630 11.546 187 HD2 LYS 44 2HD LYS 44 9.987 -5.894 10.807 188 HD3 LYS 44 1HD LYS 44 9.235 -4.715 11.880 189 HE2 LYS 44 2HE LYS 44 10.307 -5.554 13.781 190 HE3 LYS 44 1HE LYS 44 10.527 -7.163 13.064 191 HZ1 LYS 44 3HZ LYS 44 11.957 -4.655 12.405 192 HZ2 LYS 44 1HZ LYS 44 11.934 -5.973 11.339 193 HZ3 LYS 44 2HZ LYS 44 12.616 -6.144 12.886 194 H GLY 45 H GLY 45 7.316 -4.313 7.797 195 HA2 GLY 45 2HA GLY 45 4.514 -4.781 7.268 196 HA3 GLY 45 1HA GLY 45 5.570 -3.736 6.339 197 H ASP 46 H ASP 46 6.687 -4.599 4.598 198 HA ASP 46 HA ASP 46 5.576 -7.137 3.543 199 HB2 ASP 46 2HB ASP 46 7.214 -5.831 1.616 200 HB3 ASP 46 1HB ASP 46 5.456 -5.943 1.648 201 H GLY 47 H GLY 47 7.193 -7.916 5.361 202 HA2 GLY 47 2HA GLY 47 9.662 -8.757 3.933 203 HA3 GLY 47 1HA GLY 47 9.803 -8.097 5.562 204 H VAL 48 H VAL 48 8.419 -9.149 7.182 205 HA VAL 48 HA VAL 48 8.949 -11.905 7.443 206 HB VAL 48 HB VAL 48 8.693 -10.758 9.452 207 HG11 VAL 48 1HG1 VAL 48 6.725 -9.177 7.920 208 HG12 VAL 48 2HG1 VAL 48 7.898 -8.652 9.127 209 HG13 VAL 48 3HG1 VAL 48 6.370 -9.374 9.635 210 HG21 VAL 48 3HG2 VAL 48 7.103 -12.706 9.363 211 HG22 VAL 48 1HG2 VAL 48 5.830 -11.538 9.015 212 HG23 VAL 48 2HG2 VAL 48 6.705 -11.456 10.546 213 H LYS 49 H LYS 49 5.896 -10.236 6.681 214 HA LYS 49 HA LYS 49 4.035 -12.203 6.770 215 HB2 LYS 49 2HB LYS 49 3.130 -10.962 4.691 216 HB3 LYS 49 1HB LYS 49 3.417 -10.044 6.157 217 HG2 LYS 49 2HG LYS 49 5.050 -8.814 5.222 218 HG3 LYS 49 1HG LYS 49 5.793 -10.198 4.456 219 HD2 LYS 49 2HD LYS 49 3.561 -8.457 3.432 220 HD3 LYS 49 1HD LYS 49 5.087 -8.850 2.650 221 HE2 LYS 49 2HE LYS 49 4.273 -11.256 2.499 222 HE3 LYS 49 1HE LYS 49 2.683 -10.664 3.014 223 HZ1 LYS 49 3HZ LYS 49 2.944 -8.933 1.220 224 HZ2 LYS 49 1HZ LYS 49 2.657 -10.517 0.687 225 HZ3 LYS 49 2HZ LYS 49 4.225 -9.868 0.615 226 H TYR 50 H TYR 50 5.853 -11.666 3.657 227 HA TYR 50 HA TYR 50 4.952 -14.265 2.746 228 HB2 TYR 50 2HB TYR 50 6.260 -13.579 0.762 229 HB3 TYR 50 1HB TYR 50 5.076 -12.381 1.271 230 HD1 TYR 50 1HD TYR 50 8.659 -13.327 1.770 231 HD2 TYR 50 2HD TYR 50 5.740 -10.200 1.572 232 HE1 TYR 50 1HE TYR 50 10.471 -11.636 1.932 233 HE2 TYR 50 2HE TYR 50 7.536 -8.503 1.729 234 HH TYR 50 HH TYR 50 10.636 -9.044 1.112 235 H LYS 51 H LYS 51 7.976 -12.903 4.018 236 HA LYS 51 HA LYS 51 9.804 -14.880 3.318 237 HB2 LYS 51 2HB LYS 51 9.384 -12.927 5.450 238 HB3 LYS 51 1HB LYS 51 10.371 -14.291 5.951 239 HG2 LYS 51 2HG LYS 51 11.065 -13.252 3.292 240 HG3 LYS 51 1HG LYS 51 11.320 -12.094 4.599 241 HD2 LYS 51 2HD LYS 51 12.249 -14.640 5.496 242 HD3 LYS 51 1HD LYS 51 12.937 -14.345 3.899 243 HE2 LYS 51 2HE LYS 51 14.447 -12.969 4.883 244 HE3 LYS 51 1HE LYS 51 13.107 -11.880 5.300 245 HZ1 LYS 51 3HZ LYS 51 14.087 -12.537 7.338 246 HZ2 LYS 51 1HZ LYS 51 14.139 -14.169 6.882 247 HZ3 LYS 51 2HZ LYS 51 12.645 -13.426 7.202 248 H ALA 52 H ALA 52 7.853 -14.829 6.206 249 HA ALA 52 HA ALA 52 8.368 -17.329 7.277 250 HB1 ALA 52 1HB ALA 52 6.013 -17.090 8.170 251 HB2 ALA 52 2HB ALA 52 5.841 -15.702 7.096 252 HB3 ALA 52 3HB ALA 52 7.033 -15.669 8.397 253 H LYS 53 H LYS 53 5.747 -16.525 5.133 254 HA LYS 53 HA LYS 53 4.810 -19.167 4.696 255 HB2 LYS 53 2HB LYS 53 4.519 -16.483 3.373 256 HB3 LYS 53 1HB LYS 53 3.704 -17.899 2.724 257 HG2 LYS 53 2HG LYS 53 3.186 -18.054 5.449 258 HG3 LYS 53 1HG LYS 53 3.070 -16.328 5.103 259 HD2 LYS 53 2HD LYS 53 1.731 -17.444 2.966 260 HD3 LYS 53 1HD LYS 53 1.292 -18.524 4.291 261 HE2 LYS 53 2HE LYS 53 0.957 -16.181 5.570 262 HE3 LYS 53 1HE LYS 53 0.633 -15.637 3.913 263 HZ1 LYS 53 3HZ LYS 53 -1.167 -16.968 3.721 264 HZ2 LYS 53 1HZ LYS 53 -1.206 -16.827 5.411 265 HZ3 LYS 53 2HZ LYS 53 -0.511 -18.200 4.690 266 H LEU 54 H LEU 54 6.716 -17.039 2.456 267 HA LEU 54 HA LEU 54 7.067 -18.796 0.378 268 HB2 LEU 54 2HB LEU 54 8.815 -16.753 1.673 269 HB3 LEU 54 1HB LEU 54 9.141 -17.447 0.075 270 HG LEU 54 HG LEU 54 6.666 -15.975 0.952 271 HD11 LEU 54 1HD1 LEU 54 7.619 -14.908 -1.387 272 HD12 LEU 54 2HD1 LEU 54 9.094 -15.349 -0.523 273 HD13 LEU 54 3HD1 LEU 54 7.921 -14.266 0.227 274 HD21 LEU 54 3HD2 LEU 54 7.179 -17.834 -1.324 275 HD22 LEU 54 1HD2 LEU 54 6.195 -16.403 -1.639 276 HD23 LEU 54 2HD2 LEU 54 5.698 -17.564 -0.407 277 H ILE 55 H ILE 55 8.462 -18.871 3.545 278 HA ILE 55 HA ILE 55 10.645 -20.592 3.051 279 HB ILE 55 HB ILE 55 9.210 -19.091 5.075 280 HG12 ILE 55 2HG1 ILE 55 11.241 -18.281 5.597 281 HG13 ILE 55 1HG1 ILE 55 12.085 -19.797 5.275 282 HG21 ILE 55 1HG2 ILE 55 8.824 -20.961 6.250 283 HG22 ILE 55 2HG2 ILE 55 10.381 -20.424 6.885 284 HG23 ILE 55 3HG2 ILE 55 10.310 -21.737 5.706 285 HD11 ILE 55 3HD1 ILE 55 10.754 -18.352 3.013 286 HD12 ILE 55 1HD1 ILE 55 12.187 -19.379 2.989 287 HD13 ILE 55 2HD1 ILE 55 12.291 -17.733 3.615 288 H GLY 56 H GLY 56 7.575 -21.045 4.786 289 HA2 GLY 56 2HA GLY 56 6.070 -22.860 4.662 290 HA3 GLY 56 1HA GLY 56 7.223 -23.662 3.646 291 H ILE 57 H ILE 57 7.474 -22.438 6.927 292 HA ILE 57 HA ILE 57 8.964 -24.629 7.866 293 HB ILE 57 HB ILE 57 8.686 -23.343 9.956 294 HG12 ILE 57 2HG1 ILE 57 7.343 -21.167 8.430 295 HG13 ILE 57 1HG1 ILE 57 6.318 -22.516 8.920 296 HG21 ILE 57 1HG2 ILE 57 9.336 -21.157 8.273 297 HG22 ILE 57 2HG2 ILE 57 9.883 -22.636 7.479 298 HG23 ILE 57 3HG2 ILE 57 10.438 -22.253 9.109 299 HD11 ILE 57 3HD1 ILE 57 6.959 -20.369 10.521 300 HD12 ILE 57 1HD1 ILE 57 8.132 -21.579 11.038 301 HD13 ILE 57 2HD1 ILE 57 6.407 -21.937 11.113 302 H ASP 58 H ASP 58 7.002 -23.996 10.148 303 HA ASP 58 HA ASP 58 5.752 -26.527 10.380 304 HB2 ASP 58 2HB ASP 58 6.354 -24.713 12.130 305 HB3 ASP 58 1HB ASP 58 4.797 -23.988 11.701 Start of MODEL 19 1 H SER 24 H SER 24 18.681 29.211 16.839 2 HA SER 24 HA SER 24 20.997 28.204 18.189 3 HB2 SER 24 2HB SER 24 18.830 29.449 19.903 4 HB3 SER 24 1HB SER 24 20.022 28.317 20.535 5 HG SER 24 HG SER 24 20.640 30.715 19.143 6 H LYS 25 H LYS 25 17.553 28.048 19.148 7 HA LYS 25 HA LYS 25 17.306 25.306 19.457 8 HB2 LYS 25 2HB LYS 25 15.643 27.618 19.102 9 HB3 LYS 25 1HB LYS 25 14.946 26.276 18.193 10 HG2 LYS 25 2HG LYS 25 14.711 24.935 20.104 11 HG3 LYS 25 1HG LYS 25 15.907 25.858 21.014 12 HD2 LYS 25 2HD LYS 25 13.881 27.693 20.278 13 HD3 LYS 25 1HD LYS 25 13.055 26.253 20.877 14 HE2 LYS 25 2HE LYS 25 15.099 26.534 22.709 15 HE3 LYS 25 1HE LYS 25 14.665 28.219 22.360 16 HZ1 LYS 25 3HZ LYS 25 12.990 26.055 23.424 17 HZ2 LYS 25 1HZ LYS 25 12.261 27.244 22.460 18 HZ3 LYS 25 2HZ LYS 25 13.064 27.688 23.890 19 H LYS 26 H LYS 26 17.584 27.099 16.462 20 HA LYS 26 HA LYS 26 16.467 25.449 14.540 21 HB2 LYS 26 2HB LYS 26 18.592 27.414 14.772 22 HB3 LYS 26 1HB LYS 26 18.986 26.205 13.549 23 HG2 LYS 26 2HG LYS 26 16.209 27.305 13.567 24 HG3 LYS 26 1HG LYS 26 17.499 28.340 12.955 25 HD2 LYS 26 2HD LYS 26 18.202 26.227 11.584 26 HD3 LYS 26 1HD LYS 26 16.555 25.683 11.907 27 HE2 LYS 26 2HE LYS 26 15.630 27.249 10.509 28 HE3 LYS 26 1HE LYS 26 16.820 28.489 10.955 29 HZ1 LYS 26 3HZ LYS 26 17.319 26.112 9.241 30 HZ2 LYS 26 1HZ LYS 26 18.507 27.217 9.737 31 HZ3 LYS 26 2HZ LYS 26 17.248 27.726 8.716 32 H GLU 27 H GLU 27 19.985 25.230 15.057 33 HA GLU 27 HA GLU 27 21.412 23.351 15.107 34 HB2 GLU 27 2HB GLU 27 20.522 22.510 17.047 35 HB3 GLU 27 1HB GLU 27 18.869 22.618 16.452 36 HG2 GLU 27 2HG GLU 27 19.600 20.261 16.801 37 HG3 GLU 27 1HG GLU 27 19.180 20.588 15.120 38 H LYS 28 H LYS 28 22.055 22.543 13.156 39 HA LYS 28 HA LYS 28 20.604 22.092 10.855 40 HB2 LYS 28 2HB LYS 28 23.173 21.729 11.731 41 HB3 LYS 28 1HB LYS 28 22.675 20.063 11.431 42 HG2 LYS 28 2HG LYS 28 21.687 21.482 9.236 43 HG3 LYS 28 1HG LYS 28 23.285 22.173 9.520 44 HD2 LYS 28 2HD LYS 28 23.310 19.272 9.788 45 HD3 LYS 28 1HD LYS 28 22.740 19.774 8.195 46 HE2 LYS 28 2HE LYS 28 24.745 21.227 7.948 47 HE3 LYS 28 1HE LYS 28 25.332 20.647 9.519 48 HZ1 LYS 28 3HZ LYS 28 25.092 19.211 6.984 49 HZ2 LYS 28 1HZ LYS 28 24.746 18.340 8.398 50 HZ3 LYS 28 2HZ LYS 28 26.269 19.070 8.202 51 H LYS 29 H LYS 29 18.700 20.932 10.745 52 HA LYS 29 HA LYS 29 17.902 18.809 12.398 53 HB2 LYS 29 2HB LYS 29 17.034 20.244 10.067 54 HB3 LYS 29 1HB LYS 29 16.720 18.523 9.837 55 HG2 LYS 29 2HG LYS 29 14.926 18.707 11.179 56 HG3 LYS 29 1HG LYS 29 16.006 19.116 12.513 57 HD2 LYS 29 2HD LYS 29 15.657 21.388 12.285 58 HD3 LYS 29 1HD LYS 29 15.328 21.272 10.556 59 HE2 LYS 29 2HE LYS 29 13.204 21.741 11.549 60 HE3 LYS 29 1HE LYS 29 13.177 19.990 11.253 61 HZ1 LYS 29 3HZ LYS 29 12.612 20.119 13.479 62 HZ2 LYS 29 1HZ LYS 29 13.642 21.432 13.784 63 HZ3 LYS 29 2HZ LYS 29 14.292 19.879 13.562 64 H LYS 30 H LYS 30 19.995 17.510 12.397 65 HA LYS 30 HA LYS 30 21.202 16.233 10.260 66 HB2 LYS 30 2HB LYS 30 21.977 14.710 11.927 67 HB3 LYS 30 1HB LYS 30 21.677 16.228 12.774 68 HG2 LYS 30 2HG LYS 30 19.322 15.300 13.242 69 HG3 LYS 30 1HG LYS 30 19.973 13.736 12.749 70 HD2 LYS 30 2HD LYS 30 21.151 15.483 14.929 71 HD3 LYS 30 1HD LYS 30 20.115 14.084 15.212 72 HE2 LYS 30 2HE LYS 30 22.709 13.924 13.641 73 HE3 LYS 30 1HE LYS 30 22.590 13.567 15.376 74 HZ1 LYS 30 3HZ LYS 30 20.608 12.120 14.668 75 HZ2 LYS 30 1HZ LYS 30 22.171 11.519 14.402 76 HZ3 LYS 30 2HZ LYS 30 21.287 12.188 13.114 77 H GLY 31 H GLY 31 20.577 14.658 8.816 78 HA2 GLY 31 2HA GLY 31 17.977 13.863 8.347 79 HA3 GLY 31 1HA GLY 31 19.363 12.883 7.879 80 HA PRO 32 HA PRO 32 16.798 10.819 11.234 81 HB2 PRO 32 2HB PRO 32 15.846 8.756 9.756 82 HB3 PRO 32 1HB PRO 32 14.989 10.304 9.946 83 HG2 PRO 32 2HG PRO 32 16.695 9.350 7.725 84 HG3 PRO 32 1HG PRO 32 15.170 10.244 7.678 85 HD2 PRO 32 2HD PRO 32 17.575 11.422 7.291 86 HD3 PRO 32 1HD PRO 32 16.192 12.267 8.026 87 H GLU 33 H GLU 33 17.570 8.933 12.342 88 HA GLU 33 HA GLU 33 20.034 7.815 11.265 89 HB2 GLU 33 2HB GLU 33 20.658 8.181 13.424 90 HB3 GLU 33 1HB GLU 33 19.029 8.817 13.672 91 HG2 GLU 33 2HG GLU 33 18.190 6.632 14.266 92 HG3 GLU 33 1HG GLU 33 19.752 5.895 13.909 93 H LYS 34 H LYS 34 17.098 7.183 10.936 94 HA LYS 34 HA LYS 34 16.752 4.408 11.686 95 HB2 LYS 34 2HB LYS 34 15.386 6.683 10.568 96 HB3 LYS 34 1HB LYS 34 14.865 5.181 9.874 97 HG2 LYS 34 2HG LYS 34 15.156 4.891 12.723 98 HG3 LYS 34 1HG LYS 34 14.113 6.269 12.371 99 HD2 LYS 34 2HD LYS 34 13.312 4.254 10.584 100 HD3 LYS 34 1HD LYS 34 13.539 3.443 12.135 101 HE2 LYS 34 2HE LYS 34 11.259 4.249 12.102 102 HE3 LYS 34 1HE LYS 34 12.159 5.342 13.172 103 HZ1 LYS 34 3HZ LYS 34 10.749 6.346 11.269 104 HZ2 LYS 34 1HZ LYS 34 12.040 5.870 10.276 105 HZ3 LYS 34 2HZ LYS 34 12.309 6.959 11.553 106 H THR 35 H THR 35 18.491 3.378 10.525 107 HA THR 35 HA THR 35 17.900 2.844 7.722 108 HB THR 35 HB THR 35 20.707 3.440 8.080 109 HG1 THR 35 1HG THR 35 20.023 5.814 8.022 110 HG21 THR 35 3HG2 THR 35 18.782 3.461 6.047 111 HG22 THR 35 1HG2 THR 35 20.477 3.928 5.896 112 HG23 THR 35 2HG2 THR 35 19.255 5.149 6.248 113 H ASP 36 H ASP 36 19.778 2.188 10.581 114 HA ASP 36 HA ASP 36 20.453 -0.526 9.535 115 HB2 ASP 36 2HB ASP 36 22.093 1.342 10.596 116 HB3 ASP 36 1HB ASP 36 21.590 0.519 12.073 117 H GLU 37 H GLU 37 19.866 0.870 12.675 118 HA GLU 37 HA GLU 37 18.562 -1.433 13.747 119 HB2 GLU 37 2HB GLU 37 19.166 1.361 14.476 120 HB3 GLU 37 1HB GLU 37 17.736 0.695 15.266 121 HG2 GLU 37 2HG GLU 37 19.678 -1.338 15.391 122 HG3 GLU 37 1HG GLU 37 20.528 0.152 15.805 123 H TYR 38 H TYR 38 17.629 1.007 11.610 124 HA TYR 38 HA TYR 38 14.789 1.050 12.202 125 HB2 TYR 38 2HB TYR 38 14.946 2.914 10.937 126 HB3 TYR 38 1HB TYR 38 16.677 2.652 10.985 127 HD1 TYR 38 2HD TYR 38 17.241 0.507 9.227 128 HD2 TYR 38 1HD TYR 38 14.256 3.551 8.844 129 HE1 TYR 38 2HE TYR 38 17.229 0.175 6.762 130 HE2 TYR 38 1HE TYR 38 14.236 3.236 6.378 131 HH TYR 38 HH TYR 38 16.408 2.067 4.665 132 H LEU 39 H LEU 39 16.904 -0.932 10.321 133 HA LEU 39 HA LEU 39 15.380 -1.872 8.218 134 HB2 LEU 39 2HB LEU 39 17.459 -2.847 10.036 135 HB3 LEU 39 1HB LEU 39 16.479 -4.143 9.365 136 HG LEU 39 HG LEU 39 18.198 -3.882 7.792 137 HD11 LEU 39 1HD1 LEU 39 16.420 -1.928 6.456 138 HD12 LEU 39 2HD1 LEU 39 15.668 -3.428 6.998 139 HD13 LEU 39 3HD1 LEU 39 17.027 -3.479 5.874 140 HD21 LEU 39 3HD2 LEU 39 17.913 -0.976 8.440 141 HD22 LEU 39 1HD2 LEU 39 18.649 -1.450 6.912 142 HD23 LEU 39 2HD2 LEU 39 19.364 -1.972 8.437 143 H LEU 40 H LEU 40 15.355 -3.230 11.529 144 HA LEU 40 HA LEU 40 13.141 -4.952 11.177 145 HB2 LEU 40 2HB LEU 40 14.539 -3.584 13.455 146 HB3 LEU 40 1HB LEU 40 13.108 -4.567 13.770 147 HG LEU 40 HG LEU 40 15.425 -5.724 13.868 148 HD11 LEU 40 1HD1 LEU 40 14.301 -7.662 12.360 149 HD12 LEU 40 2HD1 LEU 40 12.902 -6.609 12.565 150 HD13 LEU 40 3HD1 LEU 40 13.725 -7.266 13.980 151 HD21 LEU 40 3HD2 LEU 40 14.991 -5.553 10.868 152 HD22 LEU 40 1HD2 LEU 40 16.198 -6.570 11.658 153 HD23 LEU 40 2HD2 LEU 40 16.316 -4.814 11.767 154 H ALA 41 H ALA 41 13.335 -1.541 12.102 155 HA ALA 41 HA ALA 41 10.774 -1.022 13.024 156 HB1 ALA 41 1HB ALA 41 11.423 1.149 12.645 157 HB2 ALA 41 2HB ALA 41 11.806 0.831 10.953 158 HB3 ALA 41 3HB ALA 41 12.965 0.411 12.213 159 H ARG 42 H ARG 42 11.856 -1.521 9.690 160 HA ARG 42 HA ARG 42 9.195 -1.206 8.602 161 HB2 ARG 42 2HB ARG 42 11.970 -1.644 7.571 162 HB3 ARG 42 1HB ARG 42 10.583 -1.767 6.487 163 HG2 ARG 42 2HG ARG 42 9.944 0.551 7.647 164 HG3 ARG 42 1HG ARG 42 11.691 0.629 7.885 165 HD2 ARG 42 2HD ARG 42 12.129 0.559 5.553 166 HD3 ARG 42 1HD ARG 42 10.491 -0.018 5.181 167 HE ARG 42 HE ARG 42 10.957 2.687 6.379 168 HH11 ARG 42 1HH1 ARG 42 8.367 0.973 5.523 169 HH12 ARG 42 2HH1 ARG 42 7.839 1.969 4.208 170 HH21 ARG 42 1HH2 ARG 42 10.778 3.807 4.074 171 HH22 ARG 42 2HH2 ARG 42 9.205 3.578 3.390 172 H PHE 43 H PHE 43 11.200 -3.763 9.700 173 HA PHE 43 HA PHE 43 10.680 -5.966 8.137 174 HB2 PHE 43 2HB PHE 43 11.130 -5.373 10.985 175 HB3 PHE 43 1HB PHE 43 10.360 -6.922 10.689 176 HD1 PHE 43 2HD PHE 43 12.716 -5.179 8.413 177 HD2 PHE 43 1HD PHE 43 12.169 -8.401 11.200 178 HE1 PHE 43 2HE PHE 43 14.908 -6.128 7.747 179 HE2 PHE 43 1HE PHE 43 14.364 -9.349 10.537 180 HZ PHE 43 HZ PHE 43 15.731 -8.214 8.806 181 H LYS 44 H LYS 44 8.429 -4.526 10.509 182 HA LYS 44 HA LYS 44 6.446 -6.497 10.308 183 HB2 LYS 44 2HB LYS 44 6.654 -3.695 11.282 184 HB3 LYS 44 1HB LYS 44 5.090 -4.517 11.306 185 HG2 LYS 44 2HG LYS 44 6.297 -4.845 13.427 186 HG3 LYS 44 1HG LYS 44 6.073 -6.370 12.573 187 HD2 LYS 44 2HD LYS 44 8.327 -6.388 11.813 188 HD3 LYS 44 1HD LYS 44 8.576 -4.713 12.309 189 HE2 LYS 44 2HE LYS 44 7.687 -6.444 14.516 190 HE3 LYS 44 1HE LYS 44 9.265 -6.899 13.844 191 HZ1 LYS 44 3HZ LYS 44 9.590 -4.317 13.829 192 HZ2 LYS 44 1HZ LYS 44 9.891 -5.213 15.236 193 HZ3 LYS 44 2HZ LYS 44 8.428 -4.366 15.068 194 H GLY 45 H GLY 45 7.335 -4.928 7.751 195 HA2 GLY 45 2HA GLY 45 4.611 -4.188 6.826 196 HA3 GLY 45 1HA GLY 45 6.101 -3.583 6.125 197 H ASP 46 H ASP 46 6.976 -4.658 4.451 198 HA ASP 46 HA ASP 46 5.611 -7.135 3.531 199 HB2 ASP 46 2HB ASP 46 7.201 -6.074 1.461 200 HB3 ASP 46 1HB ASP 46 5.449 -5.967 1.619 201 H GLY 47 H GLY 47 7.196 -7.999 5.279 202 HA2 GLY 47 2HA GLY 47 9.583 -9.002 3.828 203 HA3 GLY 47 1HA GLY 47 9.816 -8.286 5.426 204 H VAL 48 H VAL 48 8.531 -9.214 7.162 205 HA VAL 48 HA VAL 48 8.880 -11.963 7.524 206 HB VAL 48 HB VAL 48 8.662 -10.703 9.476 207 HG11 VAL 48 1HG1 VAL 48 6.852 -9.101 7.830 208 HG12 VAL 48 2HG1 VAL 48 7.869 -8.618 9.186 209 HG13 VAL 48 3HG1 VAL 48 6.278 -9.307 9.483 210 HG21 VAL 48 3HG2 VAL 48 6.605 -11.259 10.576 211 HG22 VAL 48 1HG2 VAL 48 7.077 -12.612 9.548 212 HG23 VAL 48 2HG2 VAL 48 5.804 -11.508 9.024 213 H LYS 49 H LYS 49 5.897 -10.188 6.709 214 HA LYS 49 HA LYS 49 3.972 -12.100 6.812 215 HB2 LYS 49 2HB LYS 49 3.122 -10.872 4.694 216 HB3 LYS 49 1HB LYS 49 3.400 -9.943 6.156 217 HG2 LYS 49 2HG LYS 49 5.040 -8.728 5.218 218 HG3 LYS 49 1HG LYS 49 5.814 -10.144 4.529 219 HD2 LYS 49 2HD LYS 49 3.636 -8.426 3.362 220 HD3 LYS 49 1HD LYS 49 5.170 -8.898 2.639 221 HE2 LYS 49 2HE LYS 49 3.871 -10.418 1.508 222 HE3 LYS 49 1HE LYS 49 3.968 -11.345 3.017 223 HZ1 LYS 49 3HZ LYS 49 1.749 -9.880 1.921 224 HZ2 LYS 49 1HZ LYS 49 2.058 -9.494 3.543 225 HZ3 LYS 49 2HZ LYS 49 1.762 -11.107 3.097 226 H TYR 50 H TYR 50 5.857 -11.659 3.731 227 HA TYR 50 HA TYR 50 4.938 -14.284 2.877 228 HB2 TYR 50 2HB TYR 50 6.114 -13.601 0.833 229 HB3 TYR 50 1HB TYR 50 4.986 -12.375 1.400 230 HD1 TYR 50 1HD TYR 50 8.574 -13.380 1.859 231 HD2 TYR 50 2HD TYR 50 5.711 -10.214 1.488 232 HE1 TYR 50 1HE TYR 50 10.416 -11.716 1.937 233 HE2 TYR 50 2HE TYR 50 7.539 -8.546 1.559 234 HH TYR 50 HH TYR 50 10.953 -9.562 1.720 235 H LYS 51 H LYS 51 7.899 -12.871 4.195 236 HA LYS 51 HA LYS 51 9.792 -14.765 3.390 237 HB2 LYS 51 2HB LYS 51 9.332 -12.927 5.651 238 HB3 LYS 51 1HB LYS 51 10.481 -14.216 5.960 239 HG2 LYS 51 2HG LYS 51 10.898 -13.033 3.338 240 HG3 LYS 51 1HG LYS 51 11.024 -11.832 4.623 241 HD2 LYS 51 2HD LYS 51 12.424 -13.859 5.748 242 HD3 LYS 51 1HD LYS 51 12.756 -14.171 4.044 243 HE2 LYS 51 2HE LYS 51 13.004 -11.359 5.090 244 HE3 LYS 51 1HE LYS 51 14.326 -12.515 5.353 245 HZ1 LYS 51 3HZ LYS 51 13.244 -11.472 2.835 246 HZ2 LYS 51 1HZ LYS 51 13.817 -13.069 2.853 247 HZ3 LYS 51 2HZ LYS 51 14.856 -11.789 3.268 248 H ALA 52 H ALA 52 7.766 -14.830 6.224 249 HA ALA 52 HA ALA 52 8.391 -17.335 7.264 250 HB1 ALA 52 1HB ALA 52 6.890 -16.479 8.710 251 HB2 ALA 52 2HB ALA 52 5.617 -16.882 7.556 252 HB3 ALA 52 3HB ALA 52 6.394 -15.300 7.496 253 H LYS 53 H LYS 53 5.757 -16.519 5.147 254 HA LYS 53 HA LYS 53 4.821 -19.145 4.653 255 HB2 LYS 53 2HB LYS 53 4.599 -16.466 3.289 256 HB3 LYS 53 1HB LYS 53 3.711 -17.874 2.725 257 HG2 LYS 53 2HG LYS 53 2.898 -18.110 5.165 258 HG3 LYS 53 1HG LYS 53 3.474 -16.456 5.371 259 HD2 LYS 53 2HD LYS 53 1.704 -17.099 3.037 260 HD3 LYS 53 1HD LYS 53 0.980 -16.897 4.632 261 HE2 LYS 53 2HE LYS 53 2.369 -14.694 4.746 262 HE3 LYS 53 1HE LYS 53 2.491 -14.870 2.985 263 HZ1 LYS 53 3HZ LYS 53 -0.013 -14.874 4.585 264 HZ2 LYS 53 1HZ LYS 53 0.068 -15.174 2.918 265 HZ3 LYS 53 2HZ LYS 53 0.499 -13.647 3.527 266 H LEU 54 H LEU 54 6.751 -16.997 2.455 267 HA LEU 54 HA LEU 54 7.104 -18.715 0.347 268 HB2 LEU 54 2HB LEU 54 8.854 -16.707 1.694 269 HB3 LEU 54 1HB LEU 54 9.196 -17.375 0.088 270 HG LEU 54 HG LEU 54 6.721 -15.903 0.963 271 HD11 LEU 54 1HD1 LEU 54 7.741 -14.136 0.076 272 HD12 LEU 54 2HD1 LEU 54 7.952 -15.001 -1.447 273 HD13 LEU 54 3HD1 LEU 54 9.174 -15.128 -0.181 274 HD21 LEU 54 3HD2 LEU 54 6.250 -16.280 -1.625 275 HD22 LEU 54 1HD2 LEU 54 5.769 -17.480 -0.425 276 HD23 LEU 54 2HD2 LEU 54 7.249 -17.710 -1.355 277 H ILE 55 H ILE 55 8.478 -18.869 3.511 278 HA ILE 55 HA ILE 55 10.669 -20.568 2.994 279 HB ILE 55 HB ILE 55 9.223 -19.113 5.035 280 HG12 ILE 55 2HG1 ILE 55 11.250 -18.330 5.596 281 HG13 ILE 55 1HG1 ILE 55 12.090 -19.844 5.252 282 HG21 ILE 55 1HG2 ILE 55 10.370 -21.755 5.664 283 HG22 ILE 55 2HG2 ILE 55 8.806 -21.069 6.108 284 HG23 ILE 55 3HG2 ILE 55 10.284 -20.462 6.860 285 HD11 ILE 55 3HD1 ILE 55 12.138 -19.405 2.944 286 HD12 ILE 55 1HD1 ILE 55 12.395 -17.801 3.634 287 HD13 ILE 55 2HD1 ILE 55 10.798 -18.262 3.041 288 H GLY 56 H GLY 56 7.579 -21.078 4.672 289 HA2 GLY 56 2HA GLY 56 6.158 -23.002 4.055 290 HA3 GLY 56 1HA GLY 56 7.648 -23.870 3.829 291 H ILE 57 H ILE 57 6.694 -21.791 6.446 292 HA ILE 57 HA ILE 57 7.636 -23.521 8.457 293 HB ILE 57 HB ILE 57 6.827 -21.642 9.823 294 HG12 ILE 57 2HG1 ILE 57 6.185 -20.071 7.394 295 HG13 ILE 57 1HG1 ILE 57 4.982 -21.284 7.828 296 HG21 ILE 57 1HG2 ILE 57 8.113 -20.225 7.636 297 HG22 ILE 57 2HG2 ILE 57 8.862 -21.792 7.947 298 HG23 ILE 57 3HG2 ILE 57 8.735 -20.602 9.243 299 HD11 ILE 57 3HD1 ILE 57 5.892 -18.882 9.377 300 HD12 ILE 57 1HD1 ILE 57 5.291 -20.290 10.251 301 HD13 ILE 57 2HD1 ILE 57 4.254 -19.465 9.086 302 H ASP 58 H ASP 58 5.107 -22.266 9.654 303 HA ASP 58 HA ASP 58 2.854 -23.824 8.910 304 HB2 ASP 58 2HB ASP 58 4.588 -25.517 9.820 305 HB3 ASP 58 1HB ASP 58 4.220 -24.832 11.408 Start of MODEL 20 1 H SER 24 H SER 24 -1.806 5.874 -0.599 2 HA SER 24 HA SER 24 -1.695 8.514 -1.698 3 HB2 SER 24 2HB SER 24 0.583 7.757 0.161 4 HB3 SER 24 1HB SER 24 0.531 9.196 -0.853 5 HG SER 24 HG SER 24 -0.643 8.706 1.551 6 H LYS 25 H LYS 25 1.366 8.067 -2.077 7 HA LYS 25 HA LYS 25 1.849 5.574 -3.303 8 HB2 LYS 25 2HB LYS 25 -0.059 7.147 -4.654 9 HB3 LYS 25 1HB LYS 25 1.417 7.277 -5.611 10 HG2 LYS 25 2HG LYS 25 1.500 4.993 -6.048 11 HG3 LYS 25 1HG LYS 25 0.576 4.580 -4.605 12 HD2 LYS 25 2HD LYS 25 -1.460 5.012 -5.613 13 HD3 LYS 25 1HD LYS 25 -0.778 6.203 -6.722 14 HE2 LYS 25 2HE LYS 25 -0.111 4.597 -8.252 15 HE3 LYS 25 1HE LYS 25 0.137 3.364 -7.001 16 HZ1 LYS 25 3HZ LYS 25 -2.397 4.308 -8.184 17 HZ2 LYS 25 1HZ LYS 25 -2.381 3.620 -6.634 18 HZ3 LYS 25 2HZ LYS 25 -1.850 2.713 -7.971 19 H LYS 26 H LYS 26 3.676 5.869 -5.075 20 HA LYS 26 HA LYS 26 5.170 8.295 -5.174 21 HB2 LYS 26 2HB LYS 26 5.386 7.818 -2.767 22 HB3 LYS 26 1HB LYS 26 6.025 6.216 -3.137 23 HG2 LYS 26 2HG LYS 26 8.032 7.086 -4.015 24 HG3 LYS 26 1HG LYS 26 7.346 8.696 -4.229 25 HD2 LYS 26 2HD LYS 26 7.612 9.257 -2.011 26 HD3 LYS 26 1HD LYS 26 7.416 7.592 -1.459 27 HE2 LYS 26 2HE LYS 26 9.657 7.013 -2.185 28 HE3 LYS 26 1HE LYS 26 9.860 8.597 -2.959 29 HZ1 LYS 26 3HZ LYS 26 9.150 9.435 -0.604 30 HZ2 LYS 26 1HZ LYS 26 10.766 9.020 -0.912 31 HZ3 LYS 26 2HZ LYS 26 9.748 7.927 -0.102 32 H GLU 27 H GLU 27 4.440 6.260 -7.022 33 HA GLU 27 HA GLU 27 6.182 4.215 -7.629 34 HB2 GLU 27 2HB GLU 27 5.596 4.767 -10.003 35 HB3 GLU 27 1HB GLU 27 4.200 4.806 -8.924 36 HG2 GLU 27 2HG GLU 27 4.555 7.286 -8.677 37 HG3 GLU 27 1HG GLU 27 5.788 7.178 -9.935 38 H LYS 28 H LYS 28 6.891 7.637 -7.658 39 HA LYS 28 HA LYS 28 9.030 7.857 -9.431 40 HB2 LYS 28 2HB LYS 28 9.524 9.824 -8.188 41 HB3 LYS 28 1HB LYS 28 7.795 9.565 -7.958 42 HG2 LYS 28 2HG LYS 28 8.311 8.368 -5.818 43 HG3 LYS 28 1HG LYS 28 10.008 8.800 -6.030 44 HD2 LYS 28 2HD LYS 28 7.796 10.863 -5.998 45 HD3 LYS 28 1HD LYS 28 8.650 10.361 -4.537 46 HE2 LYS 28 2HE LYS 28 10.813 11.005 -5.616 47 HE3 LYS 28 1HE LYS 28 9.897 11.611 -7.012 48 HZ1 LYS 28 3HZ LYS 28 9.561 12.484 -4.189 49 HZ2 LYS 28 1HZ LYS 28 8.623 13.021 -5.495 50 HZ3 LYS 28 2HZ LYS 28 10.280 13.393 -5.432 51 H LYS 29 H LYS 29 11.287 8.580 -7.954 52 HA LYS 29 HA LYS 29 12.913 6.396 -7.807 53 HB2 LYS 29 2HB LYS 29 12.912 9.066 -6.924 54 HB3 LYS 29 1HB LYS 29 13.418 8.109 -5.529 55 HG2 LYS 29 2HG LYS 29 14.931 6.879 -7.307 56 HG3 LYS 29 1HG LYS 29 14.722 8.377 -8.216 57 HD2 LYS 29 2HD LYS 29 16.725 8.580 -6.861 58 HD3 LYS 29 1HD LYS 29 15.491 9.645 -6.190 59 HE2 LYS 29 2HE LYS 29 15.146 8.283 -4.319 60 HE3 LYS 29 1HE LYS 29 15.739 6.828 -5.146 61 HZ1 LYS 29 3HZ LYS 29 17.383 7.778 -3.583 62 HZ2 LYS 29 1HZ LYS 29 17.410 9.202 -4.506 63 HZ3 LYS 29 2HZ LYS 29 17.944 7.739 -5.187 64 H LYS 30 H LYS 30 12.912 4.519 -6.653 65 HA LYS 30 HA LYS 30 11.012 3.922 -4.613 66 HB2 LYS 30 2HB LYS 30 13.462 2.686 -5.813 67 HB3 LYS 30 1HB LYS 30 12.768 1.956 -4.365 68 HG2 LYS 30 2HG LYS 30 10.508 2.157 -5.700 69 HG3 LYS 30 1HG LYS 30 11.573 2.231 -7.104 70 HD2 LYS 30 2HD LYS 30 11.920 0.013 -7.008 71 HD3 LYS 30 1HD LYS 30 12.464 0.140 -5.335 72 HE2 LYS 30 2HE LYS 30 10.448 -1.348 -5.611 73 HE3 LYS 30 1HE LYS 30 10.143 0.033 -4.540 74 HZ1 LYS 30 3HZ LYS 30 8.811 1.018 -6.037 75 HZ2 LYS 30 1HZ LYS 30 8.655 -0.536 -6.699 76 HZ3 LYS 30 2HZ LYS 30 9.770 0.560 -7.362 77 H GLY 31 H GLY 31 12.160 2.781 -2.508 78 HA2 GLY 31 2HA GLY 31 12.941 4.834 -0.791 79 HA3 GLY 31 1HA GLY 31 13.260 3.132 -0.483 80 HA PRO 32 HA PRO 32 17.290 5.337 -1.009 81 HB2 PRO 32 2HB PRO 32 18.468 4.208 1.160 82 HB3 PRO 32 1HB PRO 32 17.520 5.712 1.228 83 HG2 PRO 32 2HG PRO 32 16.699 2.934 1.859 84 HG3 PRO 32 1HG PRO 32 16.365 4.436 2.733 85 HD2 PRO 32 2HD PRO 32 14.531 3.270 1.148 86 HD3 PRO 32 1HD PRO 32 14.655 5.039 1.308 87 H GLU 33 H GLU 33 19.573 3.941 -0.588 88 HA GLU 33 HA GLU 33 19.295 1.661 -2.366 89 HB2 GLU 33 2HB GLU 33 21.208 2.606 -3.156 90 HB3 GLU 33 1HB GLU 33 20.975 3.829 -1.902 91 HG2 GLU 33 2HG GLU 33 22.265 2.541 -0.313 92 HG3 GLU 33 1HG GLU 33 22.444 1.227 -1.476 93 H LYS 34 H LYS 34 18.842 1.952 0.584 94 HA LYS 34 HA LYS 34 20.550 0.331 2.120 95 HB2 LYS 34 2HB LYS 34 18.053 1.697 2.174 96 HB3 LYS 34 1HB LYS 34 17.861 0.140 2.932 97 HG2 LYS 34 2HG LYS 34 20.045 2.123 3.570 98 HG3 LYS 34 1HG LYS 34 18.577 1.917 4.525 99 HD2 LYS 34 2HD LYS 34 19.439 0.121 5.589 100 HD3 LYS 34 1HD LYS 34 19.879 -0.634 4.056 101 HE2 LYS 34 2HE LYS 34 21.758 1.344 4.189 102 HE3 LYS 34 1HE LYS 34 21.556 0.945 5.908 103 HZ1 LYS 34 3HZ LYS 34 21.858 -1.361 5.430 104 HZ2 LYS 34 1HZ LYS 34 23.162 -0.521 4.745 105 HZ3 LYS 34 2HZ LYS 34 21.896 -1.074 3.756 106 H THR 35 H THR 35 20.196 -1.939 2.782 107 HA THR 35 HA THR 35 18.212 -3.547 1.444 108 HB THR 35 HB THR 35 20.917 -4.422 0.743 109 HG1 THR 35 1HG THR 35 20.481 -2.849 -1.171 110 HG21 THR 35 3HG2 THR 35 19.855 -5.151 -1.266 111 HG22 THR 35 1HG2 THR 35 18.474 -4.089 -0.991 112 HG23 THR 35 2HG2 THR 35 18.726 -5.495 0.045 113 H ASP 36 H ASP 36 21.033 -3.356 3.501 114 HA ASP 36 HA ASP 36 20.556 -6.099 4.533 115 HB2 ASP 36 2HB ASP 36 22.781 -4.332 4.177 116 HB3 ASP 36 1HB ASP 36 22.647 -4.740 5.888 117 H GLU 37 H GLU 37 21.422 -3.118 6.122 118 HA GLU 37 HA GLU 37 20.079 -3.717 8.557 119 HB2 GLU 37 2HB GLU 37 21.365 -1.384 7.232 120 HB3 GLU 37 1HB GLU 37 20.280 -1.025 8.576 121 HG2 GLU 37 2HG GLU 37 21.541 -2.594 10.013 122 HG3 GLU 37 1HG GLU 37 22.634 -2.936 8.671 123 H TYR 38 H TYR 38 19.004 -2.706 5.518 124 HA TYR 38 HA TYR 38 16.624 -1.288 6.346 125 HB2 TYR 38 2HB TYR 38 16.744 -0.652 4.190 126 HB3 TYR 38 1HB TYR 38 18.263 -1.527 4.137 127 HD1 TYR 38 2HD TYR 38 17.584 -4.324 4.080 128 HD2 TYR 38 1HD TYR 38 15.572 -0.993 2.285 129 HE1 TYR 38 2HE TYR 38 16.586 -5.837 2.383 130 HE2 TYR 38 1HE TYR 38 14.581 -2.492 0.579 131 HH TYR 38 HH TYR 38 14.579 -5.854 0.876 132 H LEU 39 H LEU 39 17.481 -4.601 5.906 133 HA LEU 39 HA LEU 39 15.169 -5.911 5.166 134 HB2 LEU 39 2HB LEU 39 17.504 -6.355 6.868 135 HB3 LEU 39 1HB LEU 39 16.108 -7.288 7.395 136 HG LEU 39 HG LEU 39 17.162 -8.694 5.841 137 HD11 LEU 39 1HD1 LEU 39 15.531 -9.044 4.247 138 HD12 LEU 39 2HD1 LEU 39 15.391 -7.328 3.870 139 HD13 LEU 39 3HD1 LEU 39 14.662 -7.970 5.343 140 HD21 LEU 39 3HD2 LEU 39 18.151 -6.225 4.827 141 HD22 LEU 39 1HD2 LEU 39 17.419 -7.107 3.486 142 HD23 LEU 39 2HD2 LEU 39 18.701 -7.855 4.440 143 H LEU 40 H LEU 40 16.037 -4.968 8.487 144 HA LEU 40 HA LEU 40 13.538 -5.557 9.681 145 HB2 LEU 40 2HB LEU 40 15.934 -3.849 10.276 146 HB3 LEU 40 1HB LEU 40 14.553 -3.838 11.374 147 HG LEU 40 HG LEU 40 16.431 -5.547 11.843 148 HD11 LEU 40 1HD1 LEU 40 14.555 -5.944 13.131 149 HD12 LEU 40 2HD1 LEU 40 14.508 -7.389 12.119 150 HD13 LEU 40 3HD1 LEU 40 13.484 -6.005 11.731 151 HD21 LEU 40 3HD2 LEU 40 15.043 -6.876 9.494 152 HD22 LEU 40 1HD2 LEU 40 16.166 -7.689 10.584 153 HD23 LEU 40 2HD2 LEU 40 16.732 -6.372 9.557 154 H ALA 41 H ALA 41 14.652 -2.830 7.831 155 HA ALA 41 HA ALA 41 12.880 -0.811 8.631 156 HB1 ALA 41 1HB ALA 41 13.574 -1.370 5.754 157 HB2 ALA 41 2HB ALA 41 14.838 -0.921 6.898 158 HB3 ALA 41 3HB ALA 41 13.502 0.186 6.582 159 H ARG 42 H ARG 42 12.460 -3.419 6.262 160 HA ARG 42 HA ARG 42 9.673 -2.783 5.814 161 HB2 ARG 42 2HB ARG 42 11.727 -4.668 4.738 162 HB3 ARG 42 1HB ARG 42 10.026 -4.929 4.355 163 HG2 ARG 42 2HG ARG 42 10.697 -2.143 4.014 164 HG3 ARG 42 1HG ARG 42 11.803 -3.150 3.077 165 HD2 ARG 42 2HD ARG 42 10.164 -3.362 1.524 166 HD3 ARG 42 1HD ARG 42 9.229 -4.282 2.722 167 HE ARG 42 HE ARG 42 7.918 -2.351 3.069 168 HH11 ARG 42 1HH1 ARG 42 8.991 -1.402 0.352 169 HH12 ARG 42 2HH1 ARG 42 9.506 0.203 0.753 170 HH21 ARG 42 1HH2 ARG 42 9.442 -0.346 4.177 171 HH22 ARG 42 2HH2 ARG 42 9.756 0.802 2.919 172 H PHE 43 H PHE 43 11.528 -4.849 7.823 173 HA PHE 43 HA PHE 43 10.143 -7.173 8.234 174 HB2 PHE 43 2HB PHE 43 11.709 -5.262 9.794 175 HB3 PHE 43 1HB PHE 43 10.606 -6.198 10.792 176 HD1 PHE 43 2HD PHE 43 12.226 -7.275 7.620 177 HD2 PHE 43 1HD PHE 43 12.110 -7.678 11.895 178 HE1 PHE 43 2HE PHE 43 13.782 -9.201 7.481 179 HE2 PHE 43 1HE PHE 43 13.669 -9.601 11.757 180 HZ PHE 43 HZ PHE 43 14.505 -10.365 9.550 181 H LYS 44 H LYS 44 9.196 -3.982 9.549 182 HA LYS 44 HA LYS 44 6.893 -4.946 10.859 183 HB2 LYS 44 2HB LYS 44 8.069 -2.318 10.115 184 HB3 LYS 44 1HB LYS 44 6.465 -2.382 10.855 185 HG2 LYS 44 2HG LYS 44 8.280 -2.155 12.537 186 HG3 LYS 44 1HG LYS 44 7.342 -3.632 12.739 187 HD2 LYS 44 2HD LYS 44 9.052 -4.957 11.714 188 HD3 LYS 44 1HD LYS 44 9.941 -3.521 11.206 189 HE2 LYS 44 2HE LYS 44 10.549 -2.978 13.463 190 HE3 LYS 44 1HE LYS 44 9.395 -4.153 14.123 191 HZ1 LYS 44 3HZ LYS 44 10.623 -5.893 12.874 192 HZ2 LYS 44 1HZ LYS 44 11.539 -5.173 14.107 193 HZ3 LYS 44 2HZ LYS 44 11.806 -4.735 12.488 194 H GLY 45 H GLY 45 7.191 -5.169 7.741 195 HA2 GLY 45 2HA GLY 45 4.332 -4.757 7.244 196 HA3 GLY 45 1HA GLY 45 5.394 -3.731 6.303 197 H ASP 46 H ASP 46 6.426 -4.580 4.558 198 HA ASP 46 HA ASP 46 5.526 -7.229 3.650 199 HB2 ASP 46 2HB ASP 46 7.271 -5.722 1.849 200 HB3 ASP 46 1HB ASP 46 5.625 -6.296 1.604 201 H GLY 47 H GLY 47 7.154 -7.795 5.590 202 HA2 GLY 47 2HA GLY 47 9.707 -8.580 4.250 203 HA3 GLY 47 1HA GLY 47 9.704 -7.988 5.915 204 H VAL 48 H VAL 48 8.094 -9.130 7.305 205 HA VAL 48 HA VAL 48 8.739 -11.879 7.553 206 HB VAL 48 HB VAL 48 8.278 -10.794 9.555 207 HG11 VAL 48 1HG1 VAL 48 6.289 -9.301 7.928 208 HG12 VAL 48 2HG1 VAL 48 7.459 -8.707 9.098 209 HG13 VAL 48 3HG1 VAL 48 5.968 -9.462 9.652 210 HG21 VAL 48 3HG2 VAL 48 6.298 -11.649 10.482 211 HG22 VAL 48 1HG2 VAL 48 6.733 -12.797 9.215 212 HG23 VAL 48 2HG2 VAL 48 5.466 -11.604 8.927 213 H LYS 49 H LYS 49 5.714 -10.283 6.543 214 HA LYS 49 HA LYS 49 3.894 -12.271 6.452 215 HB2 LYS 49 2HB LYS 49 3.228 -11.055 4.218 216 HB3 LYS 49 1HB LYS 49 3.203 -10.189 5.751 217 HG2 LYS 49 2HG LYS 49 4.876 -8.811 5.126 218 HG3 LYS 49 1HG LYS 49 5.818 -10.124 4.424 219 HD2 LYS 49 2HD LYS 49 5.233 -8.721 2.590 220 HD3 LYS 49 1HD LYS 49 4.133 -10.096 2.493 221 HE2 LYS 49 2HE LYS 49 2.665 -8.471 4.092 222 HE3 LYS 49 1HE LYS 49 3.540 -7.256 3.137 223 HZ1 LYS 49 3HZ LYS 49 1.427 -8.182 2.113 224 HZ2 LYS 49 1HZ LYS 49 2.282 -9.630 1.893 225 HZ3 LYS 49 2HZ LYS 49 2.817 -8.206 1.136 226 H TYR 50 H TYR 50 6.007 -11.729 3.540 227 HA TYR 50 HA TYR 50 5.172 -14.351 2.587 228 HB2 TYR 50 2HB TYR 50 6.444 -13.610 0.615 229 HB3 TYR 50 1HB TYR 50 5.231 -12.445 1.133 230 HD1 TYR 50 2HD TYR 50 8.853 -13.289 1.484 231 HD2 TYR 50 1HD TYR 50 5.822 -10.262 1.565 232 HE1 TYR 50 2HE TYR 50 10.614 -11.540 1.652 233 HE2 TYR 50 1HE TYR 50 7.566 -8.510 1.725 234 HH TYR 50 HH TYR 50 9.816 -8.119 1.438 235 H LYS 51 H LYS 51 8.214 -12.870 3.763 236 HA LYS 51 HA LYS 51 10.023 -14.867 3.080 237 HB2 LYS 51 2HB LYS 51 9.686 -12.843 5.163 238 HB3 LYS 51 1HB LYS 51 10.734 -14.172 5.637 239 HG2 LYS 51 2HG LYS 51 11.129 -13.032 2.915 240 HG3 LYS 51 1HG LYS 51 11.672 -12.062 4.285 241 HD2 LYS 51 2HD LYS 51 13.329 -13.542 4.853 242 HD3 LYS 51 1HD LYS 51 12.390 -14.946 4.343 243 HE2 LYS 51 2HE LYS 51 13.349 -13.009 2.252 244 HE3 LYS 51 1HE LYS 51 14.477 -14.209 2.910 245 HZ1 LYS 51 3HZ LYS 51 11.899 -15.331 2.408 246 HZ2 LYS 51 1HZ LYS 51 13.420 -15.853 1.869 247 HZ3 LYS 51 2HZ LYS 51 12.570 -14.671 0.994 248 H ALA 52 H ALA 52 8.116 -14.730 5.995 249 HA ALA 52 HA ALA 52 8.764 -17.225 7.089 250 HB1 ALA 52 1HB ALA 52 6.238 -16.787 7.937 251 HB2 ALA 52 2HB ALA 52 6.638 -15.191 7.299 252 HB3 ALA 52 3HB ALA 52 7.627 -15.906 8.573 253 H LYS 53 H LYS 53 5.957 -16.312 5.255 254 HA LYS 53 HA LYS 53 4.778 -18.859 4.976 255 HB2 LYS 53 2HB LYS 53 4.667 -16.215 3.550 256 HB3 LYS 53 1HB LYS 53 3.697 -17.571 2.988 257 HG2 LYS 53 2HG LYS 53 3.300 -17.569 5.744 258 HG3 LYS 53 1HG LYS 53 3.298 -15.859 5.312 259 HD2 LYS 53 2HD LYS 53 1.077 -16.355 4.913 260 HD3 LYS 53 1HD LYS 53 1.748 -16.735 3.327 261 HE2 LYS 53 2HE LYS 53 1.610 -19.043 3.671 262 HE3 LYS 53 1HE LYS 53 1.658 -18.880 5.437 263 HZ1 LYS 53 3HZ LYS 53 -0.606 -19.231 4.116 264 HZ2 LYS 53 1HZ LYS 53 -0.523 -17.539 4.042 265 HZ3 LYS 53 2HZ LYS 53 -0.520 -18.323 5.550 266 H LEU 54 H LEU 54 6.735 -17.046 2.523 267 HA LEU 54 HA LEU 54 6.775 -18.905 0.505 268 HB2 LEU 54 2HB LEU 54 8.793 -17.001 1.602 269 HB3 LEU 54 1HB LEU 54 8.948 -17.788 0.021 270 HG LEU 54 HG LEU 54 6.666 -16.066 0.968 271 HD11 LEU 54 1HD1 LEU 54 8.522 -15.743 -1.372 272 HD12 LEU 54 2HD1 LEU 54 8.811 -15.009 0.206 273 HD13 LEU 54 3HD1 LEU 54 7.384 -14.559 -0.730 274 HD21 LEU 54 3HD2 LEU 54 5.538 -17.640 -0.296 275 HD22 LEU 54 1HD2 LEU 54 6.942 -17.989 -1.305 276 HD23 LEU 54 2HD2 LEU 54 6.016 -16.509 -1.563 277 H ILE 55 H ILE 55 8.443 -18.951 3.546 278 HA ILE 55 HA ILE 55 10.384 -20.916 2.982 279 HB ILE 55 HB ILE 55 9.308 -19.154 5.007 280 HG12 ILE 55 2HG1 ILE 55 11.451 -18.580 5.332 281 HG13 ILE 55 1HG1 ILE 55 12.082 -20.203 5.046 282 HG21 ILE 55 1HG2 ILE 55 10.368 -20.468 6.852 283 HG22 ILE 55 2HG2 ILE 55 10.215 -21.855 5.768 284 HG23 ILE 55 3HG2 ILE 55 8.778 -20.965 6.276 285 HD11 ILE 55 3HD1 ILE 55 12.072 -19.914 2.741 286 HD12 ILE 55 1HD1 ILE 55 12.382 -18.254 3.252 287 HD13 ILE 55 2HD1 ILE 55 10.751 -18.747 2.794 288 H GLY 56 H GLY 56 7.415 -20.931 4.908 289 HA2 GLY 56 2HA GLY 56 5.757 -22.728 4.636 290 HA3 GLY 56 1HA GLY 56 7.113 -23.777 4.356 291 H ILE 57 H ILE 57 6.574 -21.400 6.842 292 HA ILE 57 HA ILE 57 7.585 -23.010 8.917 293 HB ILE 57 HB ILE 57 7.023 -20.968 10.164 294 HG12 ILE 57 2HG1 ILE 57 6.248 -19.557 7.684 295 HG13 ILE 57 1HG1 ILE 57 5.028 -20.673 8.298 296 HG21 ILE 57 1HG2 ILE 57 8.884 -21.411 8.184 297 HG22 ILE 57 2HG2 ILE 57 8.900 -20.054 9.312 298 HG23 ILE 57 3HG2 ILE 57 8.170 -19.868 7.715 299 HD11 ILE 57 3HD1 ILE 57 6.249 -18.287 9.682 300 HD12 ILE 57 1HD1 ILE 57 5.447 -19.565 10.595 301 HD13 ILE 57 2HD1 ILE 57 4.544 -18.636 9.397 302 H ASP 58 H ASP 58 5.267 -21.491 10.217 303 HA ASP 58 HA ASP 58 3.743 -23.497 11.324 304 HB2 ASP 58 2HB ASP 58 2.282 -21.737 11.939 305 HB3 ASP 58 1HB ASP 58 3.836 -20.939 11.691
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