NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
531556 | 2l9a | 17442 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 6.300 1.234 -17.029 2 H2 LYS 1 H2 LYS 1 7.900 1.464 -16.520 3 H3 LYS 1 H3 LYS 1 6.616 1.783 -15.460 4 HA LYS 1 HA LYS 1 6.015 -0.492 -15.355 5 HB2 LYS 1 HB2 LYS 1 8.250 -0.869 -17.354 6 HB3 LYS 1 HB3 LYS 1 7.486 -2.192 -16.482 7 HG2 LYS 1 HG2 LYS 1 6.077 -0.284 -18.342 8 HG3 LYS 1 HG3 LYS 1 6.574 -1.932 -18.735 9 HD2 LYS 1 HD2 LYS 1 5.070 -2.856 -17.149 10 HD3 LYS 1 HD3 LYS 1 4.741 -1.273 -16.442 11 HE2 LYS 1 HE2 LYS 1 2.904 -2.054 -17.872 12 HE3 LYS 1 HE3 LYS 1 3.630 -0.563 -18.467 13 HZ1 LYS 1 HZ1 LYS 1 4.696 -1.691 -20.199 14 HZ2 LYS 1 HZ2 LYS 1 3.131 -2.356 -20.158 15 HZ3 LYS 1 HZ3 LYS 1 4.436 -3.217 -19.501 16 H LYS 2 H LYS 2 9.558 -0.166 -15.833 17 HA LYS 2 HA LYS 2 9.922 -1.408 -13.252 18 HB2 LYS 2 HB2 LYS 2 12.313 -1.421 -13.773 19 HB3 LYS 2 HB3 LYS 2 11.359 -2.125 -15.065 20 HG2 LYS 2 HG2 LYS 2 11.638 -0.130 -16.405 21 HG3 LYS 2 HG3 LYS 2 12.500 0.667 -15.085 22 HD2 LYS 2 HD2 LYS 2 14.171 -1.211 -15.181 23 HD3 LYS 2 HD3 LYS 2 13.370 -1.754 -16.655 24 HE2 LYS 2 HE2 LYS 2 14.632 0.950 -16.239 25 HE3 LYS 2 HE3 LYS 2 15.368 -0.393 -17.106 26 HZ1 LYS 2 HZ1 LYS 2 12.948 1.140 -17.868 27 HZ2 LYS 2 HZ2 LYS 2 13.391 -0.312 -18.620 28 HZ3 LYS 2 HZ3 LYS 2 14.420 1.036 -18.706 29 H LEU 3 H LEU 3 8.777 0.491 -12.312 30 HA LEU 3 HA LEU 3 10.606 1.902 -10.712 31 HB2 LEU 3 HB2 LEU 3 10.290 4.169 -11.333 32 HB3 LEU 3 HB3 LEU 3 10.771 3.316 -12.783 33 HG LEU 3 HG LEU 3 7.881 3.931 -12.187 34 HD11 LEU 3 HD11 LEU 3 9.864 5.630 -13.697 35 HD12 LEU 3 HD12 LEU 3 9.090 6.039 -12.165 36 HD13 LEU 3 HD13 LEU 3 8.123 5.896 -13.634 37 HD21 LEU 3 HD21 LEU 3 7.641 3.705 -14.608 38 HD22 LEU 3 HD22 LEU 3 8.315 2.236 -13.896 39 HD23 LEU 3 HD23 LEU 3 9.365 3.366 -14.754 40 H LYS 4 H LYS 4 7.355 1.554 -11.974 41 HA LYS 4 HA LYS 4 6.290 2.454 -9.386 42 HB2 LYS 4 HB2 LYS 4 5.545 3.576 -11.564 43 HB3 LYS 4 HB3 LYS 4 4.680 2.083 -11.907 44 HG2 LYS 4 HG2 LYS 4 3.180 3.695 -10.926 45 HG3 LYS 4 HG3 LYS 4 3.426 2.352 -9.805 46 HD2 LYS 4 HD2 LYS 4 5.121 3.704 -8.622 47 HD3 LYS 4 HD3 LYS 4 4.761 5.054 -9.697 48 HE2 LYS 4 HE2 LYS 4 2.413 4.979 -8.916 49 HE3 LYS 4 HE3 LYS 4 2.873 3.726 -7.765 50 HZ1 LYS 4 HZ1 LYS 4 3.961 6.484 -7.853 51 HZ2 LYS 4 HZ2 LYS 4 4.413 5.289 -6.743 52 HZ3 LYS 4 HZ3 LYS 4 2.832 5.901 -6.733 53 H LEU 5 H LEU 5 5.721 -0.016 -11.904 54 HA LEU 5 HA LEU 5 4.072 -1.610 -10.205 55 HB2 LEU 5 HB2 LEU 5 5.469 -2.303 -12.794 56 HB3 LEU 5 HB3 LEU 5 4.278 -3.315 -11.997 57 HG LEU 5 HG LEU 5 3.783 -0.572 -13.164 58 HD11 LEU 5 HD11 LEU 5 2.903 -3.318 -14.039 59 HD12 LEU 5 HD12 LEU 5 4.059 -2.272 -14.865 60 HD13 LEU 5 HD13 LEU 5 2.365 -1.797 -14.748 61 HD21 LEU 5 HD21 LEU 5 2.418 -0.951 -11.176 62 HD22 LEU 5 HD22 LEU 5 1.868 -2.490 -11.841 63 HD23 LEU 5 HD23 LEU 5 1.436 -0.979 -12.641 64 H ALA 6 H ALA 6 7.372 -1.134 -10.378 65 HA ALA 6 HA ALA 6 8.023 -3.743 -9.221 66 HB1 ALA 6 HB1 ALA 6 10.355 -3.079 -9.499 67 HB2 ALA 6 HB2 ALA 6 9.843 -1.494 -10.081 68 HB3 ALA 6 HB3 ALA 6 9.471 -2.941 -11.019 69 H LEU 7 H LEU 7 6.813 -0.957 -8.151 70 HA LEU 7 HA LEU 7 8.539 -0.724 -5.790 71 HB2 LEU 7 HB2 LEU 7 8.004 1.318 -7.124 72 HB3 LEU 7 HB3 LEU 7 6.313 1.093 -6.719 73 HG LEU 7 HG LEU 7 6.891 1.363 -4.316 74 HD11 LEU 7 HD11 LEU 7 9.219 0.663 -4.422 75 HD12 LEU 7 HD12 LEU 7 9.079 2.277 -3.727 76 HD13 LEU 7 HD13 LEU 7 9.612 2.080 -5.395 77 HD21 LEU 7 HD21 LEU 7 7.695 3.627 -6.139 78 HD22 LEU 7 HD22 LEU 7 7.284 3.786 -4.431 79 HD23 LEU 7 HD23 LEU 7 6.061 3.255 -5.586 80 H ALA 8 H ALA 8 7.949 -1.925 -4.135 81 HA ALA 8 HA ALA 8 6.733 -2.936 -2.514 82 HB1 ALA 8 HB1 ALA 8 4.539 -2.106 -1.912 83 HB2 ALA 8 HB2 ALA 8 4.415 -1.247 -3.446 84 HB3 ALA 8 HB3 ALA 8 5.620 -0.756 -2.259 85 H LYS 9 H LYS 9 6.289 -3.345 -5.689 86 HA LYS 9 HA LYS 9 5.750 -5.148 -6.935 87 HB2 LYS 9 HB2 LYS 9 5.029 -6.421 -4.292 88 HB3 LYS 9 HB3 LYS 9 5.013 -7.261 -5.835 89 HG2 LYS 9 HG2 LYS 9 7.423 -6.041 -4.495 90 HG3 LYS 9 HG3 LYS 9 7.043 -7.760 -4.617 91 HD2 LYS 9 HD2 LYS 9 7.619 -5.898 -6.924 92 HD3 LYS 9 HD3 LYS 9 8.720 -7.112 -6.273 93 HE2 LYS 9 HE2 LYS 9 6.034 -7.664 -7.539 94 HE3 LYS 9 HE3 LYS 9 7.598 -7.879 -8.322 95 HZ1 LYS 9 HZ1 LYS 9 6.617 -9.355 -5.932 96 HZ2 LYS 9 HZ2 LYS 9 8.156 -9.530 -6.621 97 HZ3 LYS 9 HZ3 LYS 9 6.775 -9.972 -7.505 98 H LEU 10 H LEU 10 3.239 -5.536 -4.455 99 HA LEU 10 HA LEU 10 1.263 -5.170 -6.590 100 HB2 LEU 10 HB2 LEU 10 1.090 -6.536 -3.909 101 HB3 LEU 10 HB3 LEU 10 -0.333 -6.155 -4.856 102 HG LEU 10 HG LEU 10 0.673 -7.555 -6.718 103 HD11 LEU 10 HD11 LEU 10 2.983 -7.579 -5.923 104 HD12 LEU 10 HD12 LEU 10 2.344 -9.215 -6.094 105 HD13 LEU 10 HD13 LEU 10 2.484 -8.483 -4.495 106 HD21 LEU 10 HD21 LEU 10 -1.153 -8.325 -5.302 107 HD22 LEU 10 HD22 LEU 10 0.008 -8.912 -4.112 108 HD23 LEU 10 HD23 LEU 10 -0.065 -9.651 -5.713 109 H ALA 11 H ALA 11 2.782 -3.316 -4.521 110 HA ALA 11 HA ALA 11 2.407 -1.417 -3.331 111 HB1 ALA 11 HB1 ALA 11 0.844 0.172 -4.315 112 HB2 ALA 11 HB2 ALA 11 0.104 -1.122 -5.257 113 HB3 ALA 11 HB3 ALA 11 1.775 -0.651 -5.567 114 HA PRO 12 HA PRO 12 -0.881 -3.716 -0.840 115 HB2 PRO 12 HB2 PRO 12 0.521 -3.352 1.527 116 HB3 PRO 12 HB3 PRO 12 0.583 -4.794 0.511 117 HG2 PRO 12 HG2 PRO 12 2.479 -2.490 0.652 118 HG3 PRO 12 HG3 PRO 12 2.820 -4.217 0.440 119 HD2 PRO 12 HD2 PRO 12 2.919 -2.519 -1.624 120 HD3 PRO 12 HD3 PRO 12 2.304 -4.174 -1.819 121 H LEU 13 H LEU 13 0.813 -0.681 -0.277 122 HA LEU 13 HA LEU 13 -0.928 0.352 1.682 123 HB2 LEU 13 HB2 LEU 13 0.778 1.814 -0.336 124 HB3 LEU 13 HB3 LEU 13 -0.002 2.563 1.045 125 HG LEU 13 HG LEU 13 2.163 0.461 1.160 126 HD11 LEU 13 HD11 LEU 13 3.543 2.251 2.061 127 HD12 LEU 13 HD12 LEU 13 2.214 3.392 1.853 128 HD13 LEU 13 HD13 LEU 13 2.968 2.649 0.442 129 HD21 LEU 13 HD21 LEU 13 2.151 0.895 3.578 130 HD22 LEU 13 HD22 LEU 13 0.622 0.216 3.019 131 HD23 LEU 13 HD23 LEU 13 0.745 1.940 3.373 132 H TRP 14 H TRP 14 -1.016 0.397 -1.829 133 HA TRP 14 HA TRP 14 -3.334 2.130 -1.869 134 HB2 TRP 14 HB2 TRP 14 -1.709 0.791 -4.021 135 HB3 TRP 14 HB3 TRP 14 -3.216 1.631 -4.378 136 HD1 TRP 14 HD1 TRP 14 0.433 2.258 -3.631 137 HE1 TRP 14 HE1 TRP 14 0.911 4.790 -3.754 138 HE3 TRP 14 HE3 TRP 14 -4.372 3.972 -3.913 139 HZ2 TRP 14 HZ2 TRP 14 -0.568 7.191 -3.937 140 HZ3 TRP 14 HZ3 TRP 14 -4.758 6.395 -4.051 141 HH2 TRP 14 HH2 TRP 14 -2.895 7.971 -4.062 142 H LYS 15 H LYS 15 -2.936 -0.977 -1.084 143 HA LYS 15 HA LYS 15 -5.496 -1.807 -2.253 144 HB2 LYS 15 HB2 LYS 15 -3.404 -3.433 -0.789 145 HB3 LYS 15 HB3 LYS 15 -4.909 -4.070 -1.437 146 HG2 LYS 15 HG2 LYS 15 -2.690 -2.836 -3.054 147 HG3 LYS 15 HG3 LYS 15 -3.013 -4.563 -2.890 148 HD2 LYS 15 HD2 LYS 15 -4.965 -2.558 -4.016 149 HD3 LYS 15 HD3 LYS 15 -3.895 -3.562 -4.994 150 HE2 LYS 15 HE2 LYS 15 -4.949 -5.575 -4.053 151 HE3 LYS 15 HE3 LYS 15 -6.032 -4.554 -3.108 152 HZ1 LYS 15 HZ1 LYS 15 -7.091 -5.351 -5.133 153 HZ2 LYS 15 HZ2 LYS 15 -5.883 -4.620 -6.077 154 HZ3 LYS 15 HZ3 LYS 15 -6.940 -3.662 -5.156 155 H ALA 16 H ALA 16 -3.797 -1.177 0.737 156 HA ALA 16 HA ALA 16 -5.881 -2.067 2.466 157 HB1 ALA 16 HB1 ALA 16 -4.595 -1.006 4.241 158 HB2 ALA 16 HB2 ALA 16 -3.579 -0.204 3.044 159 HB3 ALA 16 HB3 ALA 16 -3.549 -1.962 3.194 160 H LEU 17 H LEU 17 -4.932 1.108 1.184 161 HA LEU 17 HA LEU 17 -6.985 2.473 2.667 162 HB2 LEU 17 HB2 LEU 17 -5.006 3.294 0.569 163 HB3 LEU 17 HB3 LEU 17 -6.339 4.354 0.974 164 HG LEU 17 HG LEU 17 -4.381 5.044 2.187 165 HD11 LEU 17 HD11 LEU 17 -6.342 3.667 4.011 166 HD12 LEU 17 HD12 LEU 17 -6.503 5.286 3.329 167 HD13 LEU 17 HD13 LEU 17 -5.214 4.941 4.482 168 HD21 LEU 17 HD21 LEU 17 -3.260 3.605 3.812 169 HD22 LEU 17 HD22 LEU 17 -3.148 2.940 2.182 170 HD23 LEU 17 HD23 LEU 17 -4.293 2.256 3.336 171 H ALA 18 H ALA 18 -6.702 0.828 -0.315 172 HA ALA 18 HA ALA 18 -8.883 2.079 -1.642 173 HB1 ALA 18 HB1 ALA 18 -8.711 0.263 -3.251 174 HB2 ALA 18 HB2 ALA 18 -7.637 -0.617 -2.164 175 HB3 ALA 18 HB3 ALA 18 -7.116 0.912 -2.874 176 H LEU 19 H LEU 19 -8.575 -0.375 0.756 177 HA LEU 19 HA LEU 19 -10.946 -1.807 0.370 178 HB2 LEU 19 HB2 LEU 19 -9.497 -1.134 2.934 179 HB3 LEU 19 HB3 LEU 19 -10.798 -2.303 2.813 180 HG LEU 19 HG LEU 19 -8.127 -2.505 1.424 181 HD11 LEU 19 HD11 LEU 19 -9.246 -3.977 3.798 182 HD12 LEU 19 HD12 LEU 19 -7.900 -2.837 3.802 183 HD13 LEU 19 HD13 LEU 19 -7.745 -4.382 2.966 184 HD21 LEU 19 HD21 LEU 19 -9.934 -3.531 0.128 185 HD22 LEU 19 HD22 LEU 19 -10.416 -4.466 1.545 186 HD23 LEU 19 HD23 LEU 19 -8.845 -4.750 0.794 187 H LYS 20 H LYS 20 -10.318 1.152 2.233 188 HA LYS 20 HA LYS 20 -13.050 1.397 3.063 189 HB2 LYS 20 HB2 LYS 20 -11.161 2.316 4.387 190 HB3 LYS 20 HB3 LYS 20 -10.852 3.477 3.102 191 HG2 LYS 20 HG2 LYS 20 -13.057 4.458 3.443 192 HG3 LYS 20 HG3 LYS 20 -13.384 3.286 4.720 193 HD2 LYS 20 HD2 LYS 20 -11.482 4.172 5.997 194 HD3 LYS 20 HD3 LYS 20 -11.199 5.363 4.726 195 HE2 LYS 20 HE2 LYS 20 -13.696 5.114 6.396 196 HE3 LYS 20 HE3 LYS 20 -12.437 6.329 6.598 197 HZ1 LYS 20 HZ1 LYS 20 -12.941 7.042 4.272 198 HZ2 LYS 20 HZ2 LYS 20 -14.183 7.322 5.387 199 HZ3 LYS 20 HZ3 LYS 20 -14.297 6.018 4.303 200 H LEU 21 H LEU 21 -11.037 2.733 0.519 201 HA LEU 21 HA LEU 21 -12.810 4.697 -0.438 202 HB2 LEU 21 HB2 LEU 21 -10.429 4.581 -1.037 203 HB3 LEU 21 HB3 LEU 21 -10.723 3.108 -1.936 204 HG LEU 21 HG LEU 21 -12.200 4.404 -3.475 205 HD11 LEU 21 HD11 LEU 21 -11.128 6.756 -1.923 206 HD12 LEU 21 HD12 LEU 21 -12.807 6.219 -1.984 207 HD13 LEU 21 HD13 LEU 21 -12.030 6.854 -3.435 208 HD21 LEU 21 HD21 LEU 21 -9.358 5.374 -3.192 209 HD22 LEU 21 HD22 LEU 21 -10.356 5.528 -4.639 210 HD23 LEU 21 HD23 LEU 21 -9.885 3.930 -4.056 211 H LYS 22 H LYS 22 -12.682 1.273 -0.853 212 HA LYS 22 HA LYS 22 -14.449 1.165 -3.122 213 HB2 LYS 22 HB2 LYS 22 -12.661 -0.516 -2.657 214 HB3 LYS 22 HB3 LYS 22 -13.561 -1.031 -1.239 215 HG2 LYS 22 HG2 LYS 22 -15.414 -1.731 -2.676 216 HG3 LYS 22 HG3 LYS 22 -14.493 -1.225 -4.096 217 HD2 LYS 22 HD2 LYS 22 -12.732 -2.833 -3.505 218 HD3 LYS 22 HD3 LYS 22 -13.683 -3.349 -2.111 219 HE2 LYS 22 HE2 LYS 22 -13.974 -4.909 -3.936 220 HE3 LYS 22 HE3 LYS 22 -15.484 -4.055 -3.626 221 HZ1 LYS 22 HZ1 LYS 22 -15.047 -2.627 -5.506 222 HZ2 LYS 22 HZ2 LYS 22 -14.987 -4.251 -5.995 223 HZ3 LYS 22 HZ3 LYS 22 -13.550 -3.378 -5.778 224 H LYS 23 H LYS 23 -14.856 1.641 0.175 225 HA LYS 23 HA LYS 23 -17.560 0.501 0.172 226 HB2 LYS 23 HB2 LYS 23 -16.132 -0.421 1.916 227 HB3 LYS 23 HB3 LYS 23 -15.744 1.196 2.487 228 HG2 LYS 23 HG2 LYS 23 -18.158 1.502 3.032 229 HG3 LYS 23 HG3 LYS 23 -18.406 -0.200 2.631 230 HD2 LYS 23 HD2 LYS 23 -16.783 -0.837 4.346 231 HD3 LYS 23 HD3 LYS 23 -16.538 0.863 4.749 232 HE2 LYS 23 HE2 LYS 23 -18.936 1.026 5.339 233 HE3 LYS 23 HE3 LYS 23 -19.102 -0.702 5.026 234 HZ1 LYS 23 HZ1 LYS 23 -17.377 -1.069 6.754 235 HZ2 LYS 23 HZ2 LYS 23 -18.810 -0.389 7.354 236 HZ3 LYS 23 HZ3 LYS 23 -17.441 0.586 7.124 237 H ALA 24 H ALA 24 -15.885 3.169 1.848 238 HA ALA 24 HA ALA 24 -17.550 5.226 0.878 239 HB1 ALA 24 HB1 ALA 24 -19.271 4.087 2.214 240 HB2 ALA 24 HB2 ALA 24 -18.896 5.682 2.865 241 HB3 ALA 24 HB3 ALA 24 -18.256 4.237 3.647 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 9.252 -0.253 12.629 2 H2 LYS 1 H2 LYS 1 8.143 -1.506 12.910 3 H3 LYS 1 H3 LYS 1 7.744 0.088 13.327 4 HA LYS 1 HA LYS 1 8.254 -0.856 10.567 5 HB2 LYS 1 HB2 LYS 1 5.756 -0.514 10.308 6 HB3 LYS 1 HB3 LYS 1 6.240 -1.906 11.264 7 HG2 LYS 1 HG2 LYS 1 5.793 -0.640 13.317 8 HG3 LYS 1 HG3 LYS 1 5.280 0.736 12.343 9 HD2 LYS 1 HD2 LYS 1 3.342 -0.484 13.111 10 HD3 LYS 1 HD3 LYS 1 3.498 -0.664 11.363 11 HE2 LYS 1 HE2 LYS 1 4.515 -2.860 11.675 12 HE3 LYS 1 HE3 LYS 1 4.394 -2.676 13.424 13 HZ1 LYS 1 HZ1 LYS 1 2.594 -4.028 12.484 14 HZ2 LYS 1 HZ2 LYS 1 2.080 -2.698 11.560 15 HZ3 LYS 1 HZ3 LYS 1 2.010 -2.630 13.251 16 H LYS 2 H LYS 2 9.575 0.945 10.220 17 HA LYS 2 HA LYS 2 8.055 3.410 9.803 18 HB2 LYS 2 HB2 LYS 2 9.992 4.750 10.580 19 HB3 LYS 2 HB3 LYS 2 9.278 3.785 11.867 20 HG2 LYS 2 HG2 LYS 2 11.058 2.115 11.570 21 HG3 LYS 2 HG3 LYS 2 11.788 3.142 10.335 22 HD2 LYS 2 HD2 LYS 2 12.178 4.891 11.950 23 HD3 LYS 2 HD3 LYS 2 11.303 3.987 13.190 24 HE2 LYS 2 HE2 LYS 2 12.997 2.183 12.992 25 HE3 LYS 2 HE3 LYS 2 13.893 3.198 11.864 26 HZ1 LYS 2 HZ1 LYS 2 13.210 4.103 14.598 27 HZ2 LYS 2 HZ2 LYS 2 14.373 4.744 13.538 28 HZ3 LYS 2 HZ3 LYS 2 14.626 3.234 14.261 29 H LEU 3 H LEU 3 9.186 4.883 8.291 30 HA LEU 3 HA LEU 3 10.156 5.353 6.307 31 HB2 LEU 3 HB2 LEU 3 12.125 3.220 7.128 32 HB3 LEU 3 HB3 LEU 3 12.367 4.387 5.844 33 HG LEU 3 HG LEU 3 12.039 5.093 8.764 34 HD11 LEU 3 HD11 LEU 3 14.518 4.958 7.050 35 HD12 LEU 3 HD12 LEU 3 14.113 3.883 8.389 36 HD13 LEU 3 HD13 LEU 3 14.440 5.589 8.695 37 HD21 LEU 3 HD21 LEU 3 12.824 6.769 6.380 38 HD22 LEU 3 HD22 LEU 3 12.798 7.309 8.058 39 HD23 LEU 3 HD23 LEU 3 11.294 6.858 7.256 40 H LYS 4 H LYS 4 11.484 2.202 5.811 41 HA LYS 4 HA LYS 4 9.607 1.879 3.588 42 HB2 LYS 4 HB2 LYS 4 11.248 0.368 2.605 43 HB3 LYS 4 HB3 LYS 4 11.984 1.913 2.997 44 HG2 LYS 4 HG2 LYS 4 12.987 0.954 4.985 45 HG3 LYS 4 HG3 LYS 4 12.209 -0.593 4.641 46 HD2 LYS 4 HD2 LYS 4 13.439 -0.739 2.526 47 HD3 LYS 4 HD3 LYS 4 14.221 0.803 2.876 48 HE2 LYS 4 HE2 LYS 4 14.445 -1.677 4.577 49 HE3 LYS 4 HE3 LYS 4 15.643 -1.152 3.396 50 HZ1 LYS 4 HZ1 LYS 4 14.811 0.351 5.822 51 HZ2 LYS 4 HZ2 LYS 4 15.927 0.893 4.667 52 HZ3 LYS 4 HZ3 LYS 4 16.280 -0.472 5.608 53 H LEU 5 H LEU 5 9.898 0.797 6.691 54 HA LEU 5 HA LEU 5 9.250 -1.973 6.258 55 HB2 LEU 5 HB2 LEU 5 9.034 -0.255 8.733 56 HB3 LEU 5 HB3 LEU 5 8.783 -1.991 8.698 57 HG LEU 5 HG LEU 5 11.379 -0.573 8.072 58 HD11 LEU 5 HD11 LEU 5 10.805 -0.506 10.441 59 HD12 LEU 5 HD12 LEU 5 12.167 -1.587 10.147 60 HD13 LEU 5 HD13 LEU 5 10.559 -2.251 10.439 61 HD21 LEU 5 HD21 LEU 5 10.737 -3.515 8.228 62 HD22 LEU 5 HD22 LEU 5 12.342 -2.818 8.008 63 HD23 LEU 5 HD23 LEU 5 11.113 -2.610 6.761 64 H ALA 6 H ALA 6 7.558 0.929 6.111 65 HA ALA 6 HA ALA 6 4.989 -0.491 6.298 66 HB1 ALA 6 HB1 ALA 6 5.502 2.484 6.381 67 HB2 ALA 6 HB2 ALA 6 5.184 1.458 7.779 68 HB3 ALA 6 HB3 ALA 6 3.935 1.691 6.556 69 H LEU 7 H LEU 7 7.147 -0.132 4.112 70 HA LEU 7 HA LEU 7 5.434 0.999 2.006 71 HB2 LEU 7 HB2 LEU 7 7.588 2.095 2.221 72 HB3 LEU 7 HB3 LEU 7 8.418 0.558 2.092 73 HG LEU 7 HG LEU 7 7.548 0.336 -0.233 74 HD11 LEU 7 HD11 LEU 7 6.644 2.303 -1.340 75 HD12 LEU 7 HD12 LEU 7 6.663 3.186 0.186 76 HD13 LEU 7 HD13 LEU 7 5.601 1.792 -0.013 77 HD21 LEU 7 HD21 LEU 7 9.081 1.978 -1.201 78 HD22 LEU 7 HD22 LEU 7 9.796 1.151 0.182 79 HD23 LEU 7 HD23 LEU 7 9.184 2.797 0.357 80 H ALA 8 H ALA 8 8.124 -1.282 1.732 81 HA ALA 8 HA ALA 8 6.610 -2.822 -0.183 82 HB1 ALA 8 HB1 ALA 8 8.956 -2.289 -0.589 83 HB2 ALA 8 HB2 ALA 8 8.693 -4.033 -0.532 84 HB3 ALA 8 HB3 ALA 8 9.415 -3.205 0.848 85 H LYS 9 H LYS 9 6.571 -2.809 3.031 86 HA LYS 9 HA LYS 9 6.396 -5.723 3.311 87 HB2 LYS 9 HB2 LYS 9 8.078 -4.354 4.707 88 HB3 LYS 9 HB3 LYS 9 6.675 -3.758 5.583 89 HG2 LYS 9 HG2 LYS 9 6.098 -6.070 6.188 90 HG3 LYS 9 HG3 LYS 9 7.548 -6.631 5.351 91 HD2 LYS 9 HD2 LYS 9 8.868 -5.113 6.874 92 HD3 LYS 9 HD3 LYS 9 7.380 -4.882 7.796 93 HE2 LYS 9 HE2 LYS 9 8.692 -6.610 8.835 94 HE3 LYS 9 HE3 LYS 9 7.250 -7.331 8.117 95 HZ1 LYS 9 HZ1 LYS 9 9.976 -7.330 6.934 96 HZ2 LYS 9 HZ2 LYS 9 8.594 -7.991 6.206 97 HZ3 LYS 9 HZ3 LYS 9 9.193 -8.663 7.642 98 H LEU 10 H LEU 10 4.429 -3.502 2.466 99 HA LEU 10 HA LEU 10 2.141 -4.512 3.880 100 HB2 LEU 10 HB2 LEU 10 2.991 -2.838 5.468 101 HB3 LEU 10 HB3 LEU 10 2.938 -1.619 4.210 102 HG LEU 10 HG LEU 10 0.476 -1.869 4.101 103 HD11 LEU 10 HD11 LEU 10 0.305 -4.168 4.884 104 HD12 LEU 10 HD12 LEU 10 -0.682 -3.090 5.876 105 HD13 LEU 10 HD13 LEU 10 0.869 -3.677 6.480 106 HD21 LEU 10 HD21 LEU 10 1.475 -0.123 5.474 107 HD22 LEU 10 HD22 LEU 10 1.580 -1.241 6.836 108 HD23 LEU 10 HD23 LEU 10 0.002 -0.743 6.221 109 H ALA 11 H ALA 11 3.324 -1.820 1.859 110 HA ALA 11 HA ALA 11 2.471 -0.764 0.044 111 HB1 ALA 11 HB1 ALA 11 1.349 -2.105 -1.648 112 HB2 ALA 11 HB2 ALA 11 1.080 -3.393 -0.472 113 HB3 ALA 11 HB3 ALA 11 2.722 -2.986 -0.972 114 HA PRO 12 HA PRO 12 -1.424 0.048 2.454 115 HB2 PRO 12 HB2 PRO 12 -0.458 2.811 2.444 116 HB3 PRO 12 HB3 PRO 12 -0.881 1.778 3.811 117 HG2 PRO 12 HG2 PRO 12 1.666 2.477 3.285 118 HG3 PRO 12 HG3 PRO 12 1.240 0.899 3.978 119 HD2 PRO 12 HD2 PRO 12 1.914 1.605 1.140 120 HD3 PRO 12 HD3 PRO 12 2.438 0.209 2.109 121 H LEU 13 H LEU 13 0.032 1.492 -0.343 122 HA LEU 13 HA LEU 13 -2.248 3.042 -1.116 123 HB2 LEU 13 HB2 LEU 13 -1.093 3.490 -3.162 124 HB3 LEU 13 HB3 LEU 13 0.053 3.598 -1.844 125 HG LEU 13 HG LEU 13 -0.188 1.163 -3.616 126 HD11 LEU 13 HD11 LEU 13 1.682 3.519 -3.860 127 HD12 LEU 13 HD12 LEU 13 0.396 3.086 -4.986 128 HD13 LEU 13 HD13 LEU 13 1.789 2.024 -4.787 129 HD21 LEU 13 HD21 LEU 13 0.889 0.824 -1.421 130 HD22 LEU 13 HD22 LEU 13 2.039 2.103 -1.807 131 HD23 LEU 13 HD23 LEU 13 2.014 0.622 -2.763 132 H TRP 14 H TRP 14 -1.804 -0.193 -0.964 133 HA TRP 14 HA TRP 14 -3.790 -0.646 -3.085 134 HB2 TRP 14 HB2 TRP 14 -1.688 -1.769 -3.637 135 HB3 TRP 14 HB3 TRP 14 -1.681 -2.565 -2.068 136 HD1 TRP 14 HD1 TRP 14 -3.323 -4.649 -1.736 137 HE1 TRP 14 HE1 TRP 14 -4.583 -6.148 -3.412 138 HE3 TRP 14 HE3 TRP 14 -2.896 -1.730 -5.908 139 HZ2 TRP 14 HZ2 TRP 14 -5.293 -6.094 -6.133 140 HZ3 TRP 14 HZ3 TRP 14 -3.897 -2.528 -8.008 141 HH2 TRP 14 HH2 TRP 14 -5.069 -4.664 -8.118 142 H LYS 15 H LYS 15 -2.591 -1.973 -0.002 143 HA LYS 15 HA LYS 15 -4.699 -3.750 0.395 144 HB2 LYS 15 HB2 LYS 15 -3.012 -2.443 2.527 145 HB3 LYS 15 HB3 LYS 15 -3.952 -3.916 2.708 146 HG2 LYS 15 HG2 LYS 15 -1.525 -3.509 0.981 147 HG3 LYS 15 HG3 LYS 15 -1.651 -4.491 2.439 148 HD2 LYS 15 HD2 LYS 15 -3.372 -5.877 1.231 149 HD3 LYS 15 HD3 LYS 15 -2.945 -4.993 -0.235 150 HE2 LYS 15 HE2 LYS 15 -1.150 -6.734 1.442 151 HE3 LYS 15 HE3 LYS 15 -1.707 -7.044 -0.200 152 HZ1 LYS 15 HZ1 LYS 15 -0.393 -5.248 -1.013 153 HZ2 LYS 15 HZ2 LYS 15 0.607 -6.213 -0.038 154 HZ3 LYS 15 HZ3 LYS 15 0.009 -4.744 0.556 155 H ALA 16 H ALA 16 -4.355 -0.413 1.563 156 HA ALA 16 HA ALA 16 -7.175 -0.504 2.354 157 HB1 ALA 16 HB1 ALA 16 -4.994 0.523 4.165 158 HB2 ALA 16 HB2 ALA 16 -5.815 -1.028 4.346 159 HB3 ALA 16 HB3 ALA 16 -6.721 0.476 4.513 160 H LEU 17 H LEU 17 -6.360 0.687 0.080 161 HA LEU 17 HA LEU 17 -6.515 3.543 0.763 162 HB2 LEU 17 HB2 LEU 17 -4.602 2.879 -0.680 163 HB3 LEU 17 HB3 LEU 17 -5.741 2.283 -1.872 164 HG LEU 17 HG LEU 17 -6.646 4.587 -2.103 165 HD11 LEU 17 HD11 LEU 17 -6.029 5.457 0.082 166 HD12 LEU 17 HD12 LEU 17 -5.346 6.454 -1.199 167 HD13 LEU 17 HD13 LEU 17 -4.320 5.316 -0.329 168 HD21 LEU 17 HD21 LEU 17 -4.772 5.452 -3.394 169 HD22 LEU 17 HD22 LEU 17 -4.953 3.716 -3.647 170 HD23 LEU 17 HD23 LEU 17 -3.681 4.325 -2.591 171 H ALA 18 H ALA 18 -7.464 1.732 -2.126 172 HA ALA 18 HA ALA 18 -9.940 3.127 -2.291 173 HB1 ALA 18 HB1 ALA 18 -8.757 2.408 -4.304 174 HB2 ALA 18 HB2 ALA 18 -10.381 1.720 -4.243 175 HB3 ALA 18 HB3 ALA 18 -8.982 0.722 -3.839 176 H LEU 19 H LEU 19 -8.889 0.222 -0.774 177 HA LEU 19 HA LEU 19 -11.450 -1.067 -0.754 178 HB2 LEU 19 HB2 LEU 19 -8.860 -1.608 0.677 179 HB3 LEU 19 HB3 LEU 19 -10.308 -2.535 1.012 180 HG LEU 19 HG LEU 19 -8.989 -3.804 -0.504 181 HD11 LEU 19 HD11 LEU 19 -10.459 -4.007 -2.445 182 HD12 LEU 19 HD12 LEU 19 -11.219 -2.470 -2.027 183 HD13 LEU 19 HD13 LEU 19 -11.372 -3.857 -0.947 184 HD21 LEU 19 HD21 LEU 19 -8.902 -1.382 -2.299 185 HD22 LEU 19 HD22 LEU 19 -8.236 -2.972 -2.669 186 HD23 LEU 19 HD23 LEU 19 -7.557 -2.016 -1.350 187 H LYS 20 H LYS 20 -10.204 1.531 0.924 188 HA LYS 20 HA LYS 20 -11.970 1.039 3.212 189 HB2 LYS 20 HB2 LYS 20 -9.697 2.989 2.837 190 HB3 LYS 20 HB3 LYS 20 -10.793 3.053 4.212 191 HG2 LYS 20 HG2 LYS 20 -8.964 0.773 3.477 192 HG3 LYS 20 HG3 LYS 20 -8.764 1.900 4.823 193 HD2 LYS 20 HD2 LYS 20 -10.865 1.076 5.802 194 HD3 LYS 20 HD3 LYS 20 -11.035 -0.058 4.462 195 HE2 LYS 20 HE2 LYS 20 -8.883 -1.096 5.121 196 HE3 LYS 20 HE3 LYS 20 -8.823 -0.014 6.513 197 HZ1 LYS 20 HZ1 LYS 20 -10.893 -0.982 7.307 198 HZ2 LYS 20 HZ2 LYS 20 -9.707 -2.180 7.113 199 HZ3 LYS 20 HZ3 LYS 20 -10.947 -2.018 5.965 200 H LEU 21 H LEU 21 -11.307 3.286 0.586 201 HA LEU 21 HA LEU 21 -13.455 5.040 1.415 202 HB2 LEU 21 HB2 LEU 21 -11.462 5.095 -0.820 203 HB3 LEU 21 HB3 LEU 21 -12.873 6.131 -0.874 204 HG LEU 21 HG LEU 21 -12.167 7.096 1.330 205 HD11 LEU 21 HD11 LEU 21 -10.756 5.265 2.099 206 HD12 LEU 21 HD12 LEU 21 -9.872 6.789 2.064 207 HD13 LEU 21 HD13 LEU 21 -9.614 5.589 0.797 208 HD21 LEU 21 HD21 LEU 21 -11.730 8.245 -0.773 209 HD22 LEU 21 HD22 LEU 21 -10.210 7.369 -0.949 210 HD23 LEU 21 HD23 LEU 21 -10.420 8.511 0.379 211 H LYS 22 H LYS 22 -12.872 2.596 -1.048 212 HA LYS 22 HA LYS 22 -15.609 2.996 -2.057 213 HB2 LYS 22 HB2 LYS 22 -13.516 1.236 -3.333 214 HB3 LYS 22 HB3 LYS 22 -14.952 1.930 -4.072 215 HG2 LYS 22 HG2 LYS 22 -12.495 3.439 -3.206 216 HG3 LYS 22 HG3 LYS 22 -12.941 3.031 -4.863 217 HD2 LYS 22 HD2 LYS 22 -14.893 4.441 -4.732 218 HD3 LYS 22 HD3 LYS 22 -14.595 4.756 -3.021 219 HE2 LYS 22 HE2 LYS 22 -12.451 5.824 -3.622 220 HE3 LYS 22 HE3 LYS 22 -12.820 5.559 -5.324 221 HZ1 LYS 22 HZ1 LYS 22 -14.709 6.994 -5.150 222 HZ2 LYS 22 HZ2 LYS 22 -13.350 7.816 -4.558 223 HZ3 LYS 22 HZ3 LYS 22 -14.489 7.171 -3.475 224 H LYS 23 H LYS 23 -14.302 1.462 0.324 225 HA LYS 23 HA LYS 23 -14.755 -0.341 1.598 226 HB2 LYS 23 HB2 LYS 23 -16.998 -0.850 -0.364 227 HB3 LYS 23 HB3 LYS 23 -16.792 -1.658 1.182 228 HG2 LYS 23 HG2 LYS 23 -16.995 0.561 2.292 229 HG3 LYS 23 HG3 LYS 23 -17.399 1.250 0.715 230 HD2 LYS 23 HD2 LYS 23 -19.284 -0.359 0.555 231 HD3 LYS 23 HD3 LYS 23 -18.912 -0.904 2.191 232 HE2 LYS 23 HE2 LYS 23 -20.712 0.687 2.273 233 HE3 LYS 23 HE3 LYS 23 -19.275 1.402 3.002 234 HZ1 LYS 23 HZ1 LYS 23 -20.551 2.877 1.462 235 HZ2 LYS 23 HZ2 LYS 23 -20.075 1.870 0.185 236 HZ3 LYS 23 HZ3 LYS 23 -18.905 2.709 1.082 237 H ALA 24 H ALA 24 -15.061 -2.850 1.438 238 HA ALA 24 HA ALA 24 -12.926 -3.739 -0.314 239 HB1 ALA 24 HB1 ALA 24 -14.430 -5.223 1.842 240 HB2 ALA 24 HB2 ALA 24 -12.887 -4.392 2.041 241 HB3 ALA 24 HB3 ALA 24 -12.998 -5.805 0.992 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 10.815 -1.976 11.930 2 H2 LYS 1 H2 LYS 1 11.150 -1.153 13.373 3 H3 LYS 1 H3 LYS 1 12.275 -1.132 12.101 4 HA LYS 1 HA LYS 1 9.556 0.012 12.004 5 HB2 LYS 1 HB2 LYS 1 10.732 2.220 11.922 6 HB3 LYS 1 HB3 LYS 1 10.828 1.397 13.468 7 HG2 LYS 1 HG2 LYS 1 13.050 1.165 11.476 8 HG3 LYS 1 HG3 LYS 1 12.916 2.578 12.522 9 HD2 LYS 1 HD2 LYS 1 12.955 1.099 14.492 10 HD3 LYS 1 HD3 LYS 1 13.123 -0.298 13.430 11 HE2 LYS 1 HE2 LYS 1 15.244 0.588 12.605 12 HE3 LYS 1 HE3 LYS 1 15.071 1.993 13.654 13 HZ1 LYS 1 HZ1 LYS 1 16.533 0.347 14.630 14 HZ2 LYS 1 HZ2 LYS 1 15.312 -0.828 14.552 15 HZ3 LYS 1 HZ3 LYS 1 15.131 0.520 15.569 16 H LYS 2 H LYS 2 12.745 -0.217 10.364 17 HA LYS 2 HA LYS 2 11.601 1.069 8.025 18 HB2 LYS 2 HB2 LYS 2 14.398 0.153 8.651 19 HB3 LYS 2 HB3 LYS 2 13.933 0.885 7.120 20 HG2 LYS 2 HG2 LYS 2 13.107 2.858 8.468 21 HG3 LYS 2 HG3 LYS 2 13.938 2.137 9.849 22 HD2 LYS 2 HD2 LYS 2 15.358 3.789 8.783 23 HD3 LYS 2 HD3 LYS 2 16.044 2.177 8.577 24 HE2 LYS 2 HE2 LYS 2 16.192 3.467 6.509 25 HE3 LYS 2 HE3 LYS 2 15.132 2.072 6.311 26 HZ1 LYS 2 HZ1 LYS 2 14.278 4.182 5.333 27 HZ2 LYS 2 HZ2 LYS 2 14.145 4.809 6.901 28 HZ3 LYS 2 HZ3 LYS 2 13.222 3.462 6.447 29 H LEU 3 H LEU 3 10.360 -1.312 8.411 30 HA LEU 3 HA LEU 3 11.294 -2.747 6.020 31 HB2 LEU 3 HB2 LEU 3 9.892 -3.778 8.467 32 HB3 LEU 3 HB3 LEU 3 9.710 -4.605 6.932 33 HG LEU 3 HG LEU 3 12.224 -4.826 6.860 34 HD11 LEU 3 HD11 LEU 3 13.437 -4.612 8.961 35 HD12 LEU 3 HD12 LEU 3 11.998 -3.944 9.731 36 HD13 LEU 3 HD13 LEU 3 12.793 -3.059 8.428 37 HD21 LEU 3 HD21 LEU 3 10.799 -6.687 7.480 38 HD22 LEU 3 HD22 LEU 3 10.752 -6.124 9.150 39 HD23 LEU 3 HD23 LEU 3 12.270 -6.693 8.454 40 H LYS 4 H LYS 4 8.148 -2.966 7.610 41 HA LYS 4 HA LYS 4 7.013 -1.420 5.381 42 HB2 LYS 4 HB2 LYS 4 5.000 -2.876 5.494 43 HB3 LYS 4 HB3 LYS 4 6.449 -3.716 4.969 44 HG2 LYS 4 HG2 LYS 4 6.703 -4.735 7.132 45 HG3 LYS 4 HG3 LYS 4 5.354 -3.792 7.768 46 HD2 LYS 4 HD2 LYS 4 3.808 -4.914 6.316 47 HD3 LYS 4 HD3 LYS 4 5.122 -5.746 5.486 48 HE2 LYS 4 HE2 LYS 4 4.453 -6.083 8.405 49 HE3 LYS 4 HE3 LYS 4 3.908 -7.166 7.126 50 HZ1 LYS 4 HZ1 LYS 4 6.263 -7.579 6.586 51 HZ2 LYS 4 HZ2 LYS 4 5.844 -8.085 8.150 52 HZ3 LYS 4 HZ3 LYS 4 6.719 -6.649 7.930 53 H LEU 5 H LEU 5 7.442 -1.591 8.674 54 HA LEU 5 HA LEU 5 4.906 -0.645 9.562 55 HB2 LEU 5 HB2 LEU 5 6.560 -1.824 11.010 56 HB3 LEU 5 HB3 LEU 5 7.591 -0.409 10.924 57 HG LEU 5 HG LEU 5 5.856 0.923 12.049 58 HD11 LEU 5 HD11 LEU 5 3.922 -0.165 13.050 59 HD12 LEU 5 HD12 LEU 5 4.373 -1.690 12.287 60 HD13 LEU 5 HD13 LEU 5 3.892 -0.315 11.293 61 HD21 LEU 5 HD21 LEU 5 6.602 -1.605 13.514 62 HD22 LEU 5 HD22 LEU 5 6.066 -0.098 14.258 63 HD23 LEU 5 HD23 LEU 5 7.593 -0.150 13.377 64 H ALA 6 H ALA 6 8.058 0.953 9.083 65 HA ALA 6 HA ALA 6 6.814 3.571 9.208 66 HB1 ALA 6 HB1 ALA 6 9.663 2.802 8.572 67 HB2 ALA 6 HB2 ALA 6 9.043 3.249 10.162 68 HB3 ALA 6 HB3 ALA 6 9.073 4.438 8.859 69 H LEU 7 H LEU 7 6.003 1.691 7.145 70 HA LEU 7 HA LEU 7 6.672 3.312 4.786 71 HB2 LEU 7 HB2 LEU 7 7.879 1.155 4.716 72 HB3 LEU 7 HB3 LEU 7 6.350 0.309 4.839 73 HG LEU 7 HG LEU 7 5.667 1.266 2.659 74 HD11 LEU 7 HD11 LEU 7 6.990 3.299 2.687 75 HD12 LEU 7 HD12 LEU 7 7.373 2.344 1.255 76 HD13 LEU 7 HD13 LEU 7 8.478 2.357 2.629 77 HD21 LEU 7 HD21 LEU 7 6.685 -0.944 2.760 78 HD22 LEU 7 HD22 LEU 7 8.291 -0.223 2.656 79 HD23 LEU 7 HD23 LEU 7 7.180 -0.101 1.291 80 H ALA 8 H ALA 8 4.452 0.776 5.951 81 HA ALA 8 HA ALA 8 2.288 2.036 4.439 82 HB1 ALA 8 HB1 ALA 8 1.034 -0.004 4.885 83 HB2 ALA 8 HB2 ALA 8 2.357 -0.609 5.880 84 HB3 ALA 8 HB3 ALA 8 2.594 -0.373 4.148 85 H LYS 9 H LYS 9 3.378 3.250 6.835 86 HA LYS 9 HA LYS 9 1.654 2.768 9.050 87 HB2 LYS 9 HB2 LYS 9 3.959 3.668 9.270 88 HB3 LYS 9 HB3 LYS 9 3.437 5.143 8.472 89 HG2 LYS 9 HG2 LYS 9 1.858 5.557 10.312 90 HG3 LYS 9 HG3 LYS 9 2.464 4.114 11.130 91 HD2 LYS 9 HD2 LYS 9 4.140 6.492 10.340 92 HD3 LYS 9 HD3 LYS 9 3.496 6.206 11.957 93 HE2 LYS 9 HE2 LYS 9 4.810 4.222 12.202 94 HE3 LYS 9 HE3 LYS 9 5.315 4.284 10.515 95 HZ1 LYS 9 HZ1 LYS 9 5.983 6.361 12.524 96 HZ2 LYS 9 HZ2 LYS 9 6.571 6.251 10.940 97 HZ3 LYS 9 HZ3 LYS 9 7.018 5.091 12.092 98 H LEU 10 H LEU 10 -0.414 2.965 8.314 99 HA LEU 10 HA LEU 10 -2.416 3.988 8.011 100 HB2 LEU 10 HB2 LEU 10 -0.786 6.423 8.682 101 HB3 LEU 10 HB3 LEU 10 -2.459 6.566 8.184 102 HG LEU 10 HG LEU 10 -3.079 5.067 10.107 103 HD11 LEU 10 HD11 LEU 10 -1.489 4.807 11.929 104 HD12 LEU 10 HD12 LEU 10 -0.232 5.572 10.954 105 HD13 LEU 10 HD13 LEU 10 -0.906 4.018 10.462 106 HD21 LEU 10 HD21 LEU 10 -2.845 6.846 11.787 107 HD22 LEU 10 HD22 LEU 10 -3.383 7.464 10.226 108 HD23 LEU 10 HD23 LEU 10 -1.706 7.677 10.728 109 H ALA 11 H ALA 11 0.051 4.067 5.964 110 HA ALA 11 HA ALA 11 -1.625 5.135 3.805 111 HB1 ALA 11 HB1 ALA 11 0.345 6.127 2.731 112 HB2 ALA 11 HB2 ALA 11 1.336 5.646 4.108 113 HB3 ALA 11 HB3 ALA 11 0.053 6.838 4.319 114 HA PRO 12 HA PRO 12 -0.049 0.832 2.948 115 HB2 PRO 12 HB2 PRO 12 -2.815 0.230 2.268 116 HB3 PRO 12 HB3 PRO 12 -1.784 -0.516 3.490 117 HG2 PRO 12 HG2 PRO 12 -3.907 1.034 4.136 118 HG3 PRO 12 HG3 PRO 12 -2.444 0.949 5.135 119 HD2 PRO 12 HD2 PRO 12 -3.252 3.038 3.139 120 HD3 PRO 12 HD3 PRO 12 -2.559 3.244 4.764 121 H LEU 13 H LEU 13 -1.720 3.251 1.250 122 HA LEU 13 HA LEU 13 -1.774 3.893 -0.916 123 HB2 LEU 13 HB2 LEU 13 0.247 1.689 -1.311 124 HB3 LEU 13 HB3 LEU 13 -0.184 2.886 -2.517 125 HG LEU 13 HG LEU 13 1.101 3.493 0.147 126 HD11 LEU 13 HD11 LEU 13 2.626 2.351 -1.365 127 HD12 LEU 13 HD12 LEU 13 3.067 4.051 -1.205 128 HD13 LEU 13 HD13 LEU 13 2.227 3.490 -2.650 129 HD21 LEU 13 HD21 LEU 13 1.365 5.750 -0.764 130 HD22 LEU 13 HD22 LEU 13 -0.336 5.307 -0.632 131 HD23 LEU 13 HD23 LEU 13 0.464 5.276 -2.204 132 H TRP 14 H TRP 14 -1.474 0.350 -1.039 133 HA TRP 14 HA TRP 14 -3.812 0.310 -2.834 134 HB2 TRP 14 HB2 TRP 14 -1.571 -0.573 -3.658 135 HB3 TRP 14 HB3 TRP 14 -1.742 -1.869 -2.480 136 HD1 TRP 14 HD1 TRP 14 -4.167 -3.361 -2.848 137 HE1 TRP 14 HE1 TRP 14 -5.134 -4.206 -5.081 138 HE3 TRP 14 HE3 TRP 14 -1.722 -0.194 -6.030 139 HZ2 TRP 14 HZ2 TRP 14 -4.873 -3.613 -7.831 140 HZ3 TRP 14 HZ3 TRP 14 -2.132 -0.404 -8.448 141 HH2 TRP 14 HH2 TRP 14 -3.677 -2.081 -9.328 142 H LYS 15 H LYS 15 -2.305 -1.231 -0.036 143 HA LYS 15 HA LYS 15 -3.994 -3.440 0.168 144 HB2 LYS 15 HB2 LYS 15 -1.841 -3.329 1.274 145 HB3 LYS 15 HB3 LYS 15 -2.409 -2.026 2.309 146 HG2 LYS 15 HG2 LYS 15 -3.994 -3.522 3.366 147 HG3 LYS 15 HG3 LYS 15 -3.500 -4.832 2.291 148 HD2 LYS 15 HD2 LYS 15 -1.262 -4.795 3.225 149 HD3 LYS 15 HD3 LYS 15 -1.681 -3.412 4.238 150 HE2 LYS 15 HE2 LYS 15 -2.952 -6.143 4.388 151 HE3 LYS 15 HE3 LYS 15 -1.720 -5.527 5.488 152 HZ1 LYS 15 HZ1 LYS 15 -4.471 -4.469 5.125 153 HZ2 LYS 15 HZ2 LYS 15 -3.280 -3.715 6.060 154 HZ3 LYS 15 HZ3 LYS 15 -3.849 -5.250 6.495 155 H ALA 16 H ALA 16 -4.318 -0.248 1.713 156 HA ALA 16 HA ALA 16 -7.080 -0.942 2.341 157 HB1 ALA 16 HB1 ALA 16 -6.891 -0.218 4.661 158 HB2 ALA 16 HB2 ALA 16 -5.163 0.059 4.446 159 HB3 ALA 16 HB3 ALA 16 -5.815 -1.576 4.338 160 H LEU 17 H LEU 17 -6.068 0.787 0.391 161 HA LEU 17 HA LEU 17 -7.092 3.335 1.444 162 HB2 LEU 17 HB2 LEU 17 -4.774 3.511 0.624 163 HB3 LEU 17 HB3 LEU 17 -5.286 2.908 -0.940 164 HG LEU 17 HG LEU 17 -6.706 4.906 -1.234 165 HD11 LEU 17 HD11 LEU 17 -5.450 5.806 1.355 166 HD12 LEU 17 HD12 LEU 17 -7.145 5.386 1.113 167 HD13 LEU 17 HD13 LEU 17 -6.461 6.793 0.297 168 HD21 LEU 17 HD21 LEU 17 -3.813 5.462 -0.598 169 HD22 LEU 17 HD22 LEU 17 -4.872 6.513 -1.539 170 HD23 LEU 17 HD23 LEU 17 -4.463 4.907 -2.140 171 H ALA 18 H ALA 18 -6.733 1.892 -1.787 172 HA ALA 18 HA ALA 18 -9.236 2.864 -2.680 173 HB1 ALA 18 HB1 ALA 18 -8.837 1.499 -4.669 174 HB2 ALA 18 HB2 ALA 18 -7.503 0.691 -3.848 175 HB3 ALA 18 HB3 ALA 18 -7.396 2.412 -4.220 176 H LEU 19 H LEU 19 -8.257 -0.001 -1.000 177 HA LEU 19 HA LEU 19 -10.566 -1.540 -1.769 178 HB2 LEU 19 HB2 LEU 19 -8.471 -2.056 0.342 179 HB3 LEU 19 HB3 LEU 19 -9.703 -3.200 -0.151 180 HG LEU 19 HG LEU 19 -7.444 -2.158 -1.858 181 HD11 LEU 19 HD11 LEU 19 -6.703 -4.490 -1.827 182 HD12 LEU 19 HD12 LEU 19 -8.025 -4.891 -0.732 183 HD13 LEU 19 HD13 LEU 19 -6.748 -3.795 -0.207 184 HD21 LEU 19 HD21 LEU 19 -9.461 -2.472 -3.190 185 HD22 LEU 19 HD22 LEU 19 -9.639 -4.103 -2.546 186 HD23 LEU 19 HD23 LEU 19 -8.254 -3.704 -3.562 187 H LYS 20 H LYS 20 -10.012 0.900 0.481 188 HA LYS 20 HA LYS 20 -12.280 -0.030 2.119 189 HB2 LYS 20 HB2 LYS 20 -10.026 1.814 2.928 190 HB3 LYS 20 HB3 LYS 20 -11.379 1.350 3.951 191 HG2 LYS 20 HG2 LYS 20 -9.302 -0.527 2.833 192 HG3 LYS 20 HG3 LYS 20 -9.355 0.086 4.486 193 HD2 LYS 20 HD2 LYS 20 -11.501 -1.015 4.837 194 HD3 LYS 20 HD3 LYS 20 -11.494 -1.591 3.170 195 HE2 LYS 20 HE2 LYS 20 -9.521 -2.924 3.601 196 HE3 LYS 20 HE3 LYS 20 -9.418 -2.291 5.244 197 HZ1 LYS 20 HZ1 LYS 20 -11.580 -4.004 4.135 198 HZ2 LYS 20 HZ2 LYS 20 -11.613 -3.299 5.676 199 HZ3 LYS 20 HZ3 LYS 20 -10.424 -4.445 5.295 200 H LEU 21 H LEU 21 -10.923 2.534 0.236 201 HA LEU 21 HA LEU 21 -12.541 4.677 0.923 202 HB2 LEU 21 HB2 LEU 21 -10.605 4.839 -0.563 203 HB3 LEU 21 HB3 LEU 21 -11.455 3.926 -1.793 204 HG LEU 21 HG LEU 21 -13.128 5.782 -1.930 205 HD11 LEU 21 HD11 LEU 21 -11.149 7.215 -0.166 206 HD12 LEU 21 HD12 LEU 21 -12.791 6.747 0.278 207 HD13 LEU 21 HD13 LEU 21 -12.529 7.952 -0.983 208 HD21 LEU 21 HD21 LEU 21 -10.246 6.485 -2.466 209 HD22 LEU 21 HD22 LEU 21 -11.644 7.299 -3.168 210 HD23 LEU 21 HD23 LEU 21 -11.329 5.605 -3.545 211 H LYS 22 H LYS 22 -13.187 1.983 -1.257 212 HA LYS 22 HA LYS 22 -15.811 3.109 -1.883 213 HB2 LYS 22 HB2 LYS 22 -14.209 2.270 -3.673 214 HB3 LYS 22 HB3 LYS 22 -14.557 0.647 -3.092 215 HG2 LYS 22 HG2 LYS 22 -16.836 0.816 -3.720 216 HG3 LYS 22 HG3 LYS 22 -16.691 2.549 -4.018 217 HD2 LYS 22 HD2 LYS 22 -15.105 2.055 -5.855 218 HD3 LYS 22 HD3 LYS 22 -15.387 0.331 -5.591 219 HE2 LYS 22 HE2 LYS 22 -16.725 1.290 -7.448 220 HE3 LYS 22 HE3 LYS 22 -17.703 0.565 -6.175 221 HZ1 LYS 22 HZ1 LYS 22 -18.414 2.820 -7.084 222 HZ2 LYS 22 HZ2 LYS 22 -17.121 3.466 -6.196 223 HZ3 LYS 22 HZ3 LYS 22 -18.371 2.641 -5.401 224 H LYS 23 H LYS 23 -15.171 1.960 0.734 225 HA LYS 23 HA LYS 23 -17.409 0.069 0.760 226 HB2 LYS 23 HB2 LYS 23 -14.834 -0.171 2.302 227 HB3 LYS 23 HB3 LYS 23 -16.292 -1.041 2.750 228 HG2 LYS 23 HG2 LYS 23 -16.292 -2.065 0.476 229 HG3 LYS 23 HG3 LYS 23 -14.718 -1.314 0.204 230 HD2 LYS 23 HD2 LYS 23 -13.798 -2.528 2.107 231 HD3 LYS 23 HD3 LYS 23 -15.378 -3.248 2.424 232 HE2 LYS 23 HE2 LYS 23 -13.936 -4.810 1.237 233 HE3 LYS 23 HE3 LYS 23 -15.318 -4.351 0.246 234 HZ1 LYS 23 HZ1 LYS 23 -13.177 -4.382 -0.966 235 HZ2 LYS 23 HZ2 LYS 23 -12.634 -3.110 0.015 236 HZ3 LYS 23 HZ3 LYS 23 -13.958 -2.878 -1.017 237 H ALA 24 H ALA 24 -15.410 2.176 2.823 238 HA ALA 24 HA ALA 24 -17.880 2.891 4.259 239 HB1 ALA 24 HB1 ALA 24 -16.581 3.138 6.295 240 HB2 ALA 24 HB2 ALA 24 -15.109 2.693 5.431 241 HB3 ALA 24 HB3 ALA 24 -16.397 1.509 5.645 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 3.205 3.138 10.332 2 H2 LYS 1 H2 LYS 1 2.490 1.609 10.484 3 H3 LYS 1 H3 LYS 1 1.540 2.948 10.059 4 HA LYS 1 HA LYS 1 2.033 1.482 8.181 5 HB2 LYS 1 HB2 LYS 1 2.846 3.303 6.664 6 HB3 LYS 1 HB3 LYS 1 1.494 3.761 7.687 7 HG2 LYS 1 HG2 LYS 1 2.961 5.000 9.145 8 HG3 LYS 1 HG3 LYS 1 4.372 4.445 8.241 9 HD2 LYS 1 HD2 LYS 1 3.512 5.584 6.237 10 HD3 LYS 1 HD3 LYS 1 2.135 6.165 7.172 11 HE2 LYS 1 HE2 LYS 1 5.012 6.772 7.830 12 HE3 LYS 1 HE3 LYS 1 3.971 7.835 6.888 13 HZ1 LYS 1 HZ1 LYS 1 3.644 7.053 9.733 14 HZ2 LYS 1 HZ2 LYS 1 2.447 7.859 8.843 15 HZ3 LYS 1 HZ3 LYS 1 3.948 8.603 9.109 16 H LYS 2 H LYS 2 3.747 0.170 9.586 17 HA LYS 2 HA LYS 2 6.403 0.577 8.421 18 HB2 LYS 2 HB2 LYS 2 5.451 -1.370 10.530 19 HB3 LYS 2 HB3 LYS 2 7.100 -1.277 9.929 20 HG2 LYS 2 HG2 LYS 2 7.284 1.008 10.789 21 HG3 LYS 2 HG3 LYS 2 5.627 0.902 11.396 22 HD2 LYS 2 HD2 LYS 2 6.282 -0.984 12.822 23 HD3 LYS 2 HD3 LYS 2 7.937 -0.855 12.225 24 HE2 LYS 2 HE2 LYS 2 7.696 0.210 14.408 25 HE3 LYS 2 HE3 LYS 2 8.105 1.391 13.164 26 HZ1 LYS 2 HZ1 LYS 2 6.350 2.159 14.684 27 HZ2 LYS 2 HZ2 LYS 2 5.356 0.883 14.168 28 HZ3 LYS 2 HZ3 LYS 2 5.828 2.088 13.075 29 H LEU 3 H LEU 3 4.565 -2.372 9.148 30 HA LEU 3 HA LEU 3 5.658 -3.567 6.730 31 HB2 LEU 3 HB2 LEU 3 4.046 -4.778 8.979 32 HB3 LEU 3 HB3 LEU 3 4.780 -5.672 7.660 33 HG LEU 3 HG LEU 3 6.312 -4.060 9.697 34 HD11 LEU 3 HD11 LEU 3 5.935 -7.038 9.489 35 HD12 LEU 3 HD12 LEU 3 5.226 -5.989 10.716 36 HD13 LEU 3 HD13 LEU 3 6.976 -6.199 10.640 37 HD21 LEU 3 HD21 LEU 3 8.259 -5.230 8.770 38 HD22 LEU 3 HD22 LEU 3 7.459 -4.221 7.567 39 HD23 LEU 3 HD23 LEU 3 7.223 -5.968 7.548 40 H LYS 4 H LYS 4 2.837 -1.971 7.632 41 HA LYS 4 HA LYS 4 1.159 -3.414 5.735 42 HB2 LYS 4 HB2 LYS 4 0.385 -2.408 8.014 43 HB3 LYS 4 HB3 LYS 4 0.342 -0.882 7.136 44 HG2 LYS 4 HG2 LYS 4 -1.851 -1.829 7.115 45 HG3 LYS 4 HG3 LYS 4 -1.181 -1.954 5.487 46 HD2 LYS 4 HD2 LYS 4 -0.528 -4.288 5.970 47 HD3 LYS 4 HD3 LYS 4 -1.299 -4.151 7.549 48 HE2 LYS 4 HE2 LYS 4 -3.437 -3.614 6.358 49 HE3 LYS 4 HE3 LYS 4 -2.618 -3.999 4.844 50 HZ1 LYS 4 HZ1 LYS 4 -3.805 -5.921 5.603 51 HZ2 LYS 4 HZ2 LYS 4 -3.074 -5.832 7.129 52 HZ3 LYS 4 HZ3 LYS 4 -2.144 -6.225 5.767 53 H LEU 5 H LEU 5 3.149 -0.624 5.942 54 HA LEU 5 HA LEU 5 2.087 0.572 3.517 55 HB2 LEU 5 HB2 LEU 5 2.885 1.995 5.371 56 HB3 LEU 5 HB3 LEU 5 4.488 1.312 5.199 57 HG LEU 5 HG LEU 5 4.573 2.262 2.885 58 HD11 LEU 5 HD11 LEU 5 2.200 2.463 2.459 59 HD12 LEU 5 HD12 LEU 5 2.971 4.043 2.332 60 HD13 LEU 5 HD13 LEU 5 2.038 3.630 3.770 61 HD21 LEU 5 HD21 LEU 5 5.644 3.383 4.765 62 HD22 LEU 5 HD22 LEU 5 4.142 4.233 5.124 63 HD23 LEU 5 HD23 LEU 5 4.991 4.551 3.613 64 H ALA 6 H ALA 6 4.781 -1.330 4.647 65 HA ALA 6 HA ALA 6 6.222 -1.180 2.155 66 HB1 ALA 6 HB1 ALA 6 7.449 -1.339 4.243 67 HB2 ALA 6 HB2 ALA 6 7.792 -2.735 3.220 68 HB3 ALA 6 HB3 ALA 6 6.691 -2.894 4.589 69 H LEU 7 H LEU 7 3.439 -2.420 2.350 70 HA LEU 7 HA LEU 7 3.720 -5.176 1.710 71 HB2 LEU 7 HB2 LEU 7 1.545 -3.174 1.106 72 HB3 LEU 7 HB3 LEU 7 1.428 -4.868 0.678 73 HG LEU 7 HG LEU 7 1.673 -3.789 3.490 74 HD11 LEU 7 HD11 LEU 7 -0.678 -4.999 2.034 75 HD12 LEU 7 HD12 LEU 7 -0.494 -3.302 2.473 76 HD13 LEU 7 HD13 LEU 7 -0.643 -4.525 3.734 77 HD21 LEU 7 HD21 LEU 7 2.712 -5.991 3.224 78 HD22 LEU 7 HD22 LEU 7 1.229 -6.604 2.490 79 HD23 LEU 7 HD23 LEU 7 1.234 -6.090 4.180 80 H ALA 8 H ALA 8 3.301 -2.272 -0.248 81 HA ALA 8 HA ALA 8 4.845 -3.476 -2.382 82 HB1 ALA 8 HB1 ALA 8 2.521 -4.142 -2.865 83 HB2 ALA 8 HB2 ALA 8 3.195 -3.082 -4.102 84 HB3 ALA 8 HB3 ALA 8 2.063 -2.438 -2.911 85 H LYS 9 H LYS 9 3.638 -0.755 -0.693 86 HA LYS 9 HA LYS 9 4.281 1.417 -0.593 87 HB2 LYS 9 HB2 LYS 9 6.313 0.652 -2.695 88 HB3 LYS 9 HB3 LYS 9 6.274 2.183 -1.836 89 HG2 LYS 9 HG2 LYS 9 6.726 1.051 0.260 90 HG3 LYS 9 HG3 LYS 9 6.681 -0.515 -0.558 91 HD2 LYS 9 HD2 LYS 9 8.568 0.208 -1.976 92 HD3 LYS 9 HD3 LYS 9 8.637 1.724 -1.075 93 HE2 LYS 9 HE2 LYS 9 9.141 0.504 0.965 94 HE3 LYS 9 HE3 LYS 9 9.013 -1.027 0.099 95 HZ1 LYS 9 HZ1 LYS 9 11.014 1.110 -0.414 96 HZ2 LYS 9 HZ2 LYS 9 10.874 -0.328 -1.301 97 HZ3 LYS 9 HZ3 LYS 9 11.316 -0.382 0.336 98 H LEU 10 H LEU 10 4.561 0.466 -4.013 99 HA LEU 10 HA LEU 10 3.397 2.990 -4.827 100 HB2 LEU 10 HB2 LEU 10 3.868 2.049 -7.147 101 HB3 LEU 10 HB3 LEU 10 5.247 2.381 -6.119 102 HG LEU 10 HG LEU 10 5.194 -0.109 -5.522 103 HD11 LEU 10 HD11 LEU 10 4.194 -1.599 -7.150 104 HD12 LEU 10 HD12 LEU 10 3.537 -0.227 -8.037 105 HD13 LEU 10 HD13 LEU 10 2.956 -0.584 -6.411 106 HD21 LEU 10 HD21 LEU 10 6.903 0.914 -6.921 107 HD22 LEU 10 HD22 LEU 10 5.867 0.725 -8.337 108 HD23 LEU 10 HD23 LEU 10 6.483 -0.699 -7.499 109 H ALA 11 H ALA 11 1.943 0.409 -3.677 110 HA ALA 11 HA ALA 11 -0.194 0.445 -5.704 111 HB1 ALA 11 HB1 ALA 11 0.566 -1.882 -3.946 112 HB2 ALA 11 HB2 ALA 11 1.002 -1.703 -5.644 113 HB3 ALA 11 HB3 ALA 11 -0.693 -1.863 -5.184 114 HA PRO 12 HA PRO 12 -2.046 1.992 -1.780 115 HB2 PRO 12 HB2 PRO 12 -3.531 3.812 -3.492 116 HB3 PRO 12 HB3 PRO 12 -2.375 4.189 -2.214 117 HG2 PRO 12 HG2 PRO 12 -1.868 4.633 -4.848 118 HG3 PRO 12 HG3 PRO 12 -0.601 4.264 -3.665 119 HD2 PRO 12 HD2 PRO 12 -1.919 2.451 -5.653 120 HD3 PRO 12 HD3 PRO 12 -0.205 2.566 -5.196 121 H LEU 13 H LEU 13 -3.298 0.773 -4.739 122 HA LEU 13 HA LEU 13 -6.037 0.936 -4.358 123 HB2 LEU 13 HB2 LEU 13 -6.177 -1.089 -5.837 124 HB3 LEU 13 HB3 LEU 13 -5.286 0.268 -6.485 125 HG LEU 13 HG LEU 13 -3.797 -1.955 -5.136 126 HD11 LEU 13 HD11 LEU 13 -5.279 -3.063 -6.726 127 HD12 LEU 13 HD12 LEU 13 -3.611 -3.090 -7.297 128 HD13 LEU 13 HD13 LEU 13 -4.763 -1.950 -7.993 129 HD21 LEU 13 HD21 LEU 13 -2.062 -1.288 -6.734 130 HD22 LEU 13 HD22 LEU 13 -2.594 0.082 -5.758 131 HD23 LEU 13 HD23 LEU 13 -3.156 -0.088 -7.421 132 H TRP 14 H TRP 14 -3.810 -1.597 -3.227 133 HA TRP 14 HA TRP 14 -6.031 -2.607 -1.590 134 HB2 TRP 14 HB2 TRP 14 -4.915 -4.805 -1.577 135 HB3 TRP 14 HB3 TRP 14 -5.349 -4.290 -3.200 136 HD1 TRP 14 HD1 TRP 14 -3.287 -3.509 -4.815 137 HE1 TRP 14 HE1 TRP 14 -0.822 -4.268 -4.846 138 HE3 TRP 14 HE3 TRP 14 -3.013 -5.522 -0.128 139 HZ2 TRP 14 HZ2 TRP 14 0.987 -5.550 -3.104 140 HZ3 TRP 14 HZ3 TRP 14 -0.882 -6.499 0.610 141 HH2 TRP 14 HH2 TRP 14 1.077 -6.512 -0.848 142 H LYS 15 H LYS 15 -3.699 -0.587 -1.291 143 HA LYS 15 HA LYS 15 -2.435 -1.587 1.127 144 HB2 LYS 15 HB2 LYS 15 -1.278 -0.129 -0.615 145 HB3 LYS 15 HB3 LYS 15 -2.269 1.200 -0.034 146 HG2 LYS 15 HG2 LYS 15 -1.270 0.978 2.188 147 HG3 LYS 15 HG3 LYS 15 -0.277 -0.360 1.605 148 HD2 LYS 15 HD2 LYS 15 1.034 1.671 1.607 149 HD3 LYS 15 HD3 LYS 15 0.741 1.160 -0.055 150 HE2 LYS 15 HE2 LYS 15 0.405 3.502 -0.007 151 HE3 LYS 15 HE3 LYS 15 -1.195 2.768 -0.091 152 HZ1 LYS 15 HZ1 LYS 15 0.115 4.063 2.215 153 HZ2 LYS 15 HZ2 LYS 15 -1.189 3.008 2.438 154 HZ3 LYS 15 HZ3 LYS 15 -1.384 4.419 1.519 155 H ALA 16 H ALA 16 -5.292 -1.308 0.974 156 HA ALA 16 HA ALA 16 -7.047 -0.714 2.265 157 HB1 ALA 16 HB1 ALA 16 -6.648 -0.061 4.577 158 HB2 ALA 16 HB2 ALA 16 -4.948 0.237 4.212 159 HB3 ALA 16 HB3 ALA 16 -5.599 -1.401 4.110 160 H LEU 17 H LEU 17 -6.038 1.171 0.305 161 HA LEU 17 HA LEU 17 -7.056 3.654 1.501 162 HB2 LEU 17 HB2 LEU 17 -4.861 3.852 0.400 163 HB3 LEU 17 HB3 LEU 17 -5.557 3.241 -1.089 164 HG LEU 17 HG LEU 17 -7.044 5.234 -1.166 165 HD11 LEU 17 HD11 LEU 17 -6.468 7.159 0.262 166 HD12 LEU 17 HD12 LEU 17 -5.381 6.119 1.185 167 HD13 LEU 17 HD13 LEU 17 -7.116 5.796 1.179 168 HD21 LEU 17 HD21 LEU 17 -4.087 5.801 -1.049 169 HD22 LEU 17 HD22 LEU 17 -5.297 6.812 -1.839 170 HD23 LEU 17 HD23 LEU 17 -4.977 5.186 -2.442 171 H ALA 18 H ALA 18 -7.095 2.209 -1.758 172 HA ALA 18 HA ALA 18 -9.691 3.157 -2.334 173 HB1 ALA 18 HB1 ALA 18 -8.100 0.962 -3.655 174 HB2 ALA 18 HB2 ALA 18 -8.113 2.665 -4.111 175 HB3 ALA 18 HB3 ALA 18 -9.567 1.690 -4.311 176 H LEU 19 H LEU 19 -8.437 0.178 -0.996 177 HA LEU 19 HA LEU 19 -10.787 -1.369 -1.268 178 HB2 LEU 19 HB2 LEU 19 -8.557 -2.323 -0.916 179 HB3 LEU 19 HB3 LEU 19 -8.505 -1.625 0.690 180 HG LEU 19 HG LEU 19 -10.433 -3.053 1.336 181 HD11 LEU 19 HD11 LEU 19 -9.999 -4.310 -1.369 182 HD12 LEU 19 HD12 LEU 19 -11.402 -3.357 -0.885 183 HD13 LEU 19 HD13 LEU 19 -11.078 -4.908 -0.109 184 HD21 LEU 19 HD21 LEU 19 -9.169 -5.130 1.478 185 HD22 LEU 19 HD22 LEU 19 -8.133 -3.743 1.810 186 HD23 LEU 19 HD23 LEU 19 -8.053 -4.549 0.242 187 H LYS 20 H LYS 20 -9.879 1.098 0.958 188 HA LYS 20 HA LYS 20 -11.962 0.247 2.850 189 HB2 LYS 20 HB2 LYS 20 -9.526 0.615 3.590 190 HB3 LYS 20 HB3 LYS 20 -9.842 2.328 3.362 191 HG2 LYS 20 HG2 LYS 20 -11.650 2.206 5.012 192 HG3 LYS 20 HG3 LYS 20 -11.296 0.494 5.256 193 HD2 LYS 20 HD2 LYS 20 -8.965 1.160 5.895 194 HD3 LYS 20 HD3 LYS 20 -9.495 2.842 5.832 195 HE2 LYS 20 HE2 LYS 20 -10.628 0.694 7.625 196 HE3 LYS 20 HE3 LYS 20 -9.523 1.975 8.118 197 HZ1 LYS 20 HZ1 LYS 20 -11.777 2.537 8.698 198 HZ2 LYS 20 HZ2 LYS 20 -12.290 2.346 7.095 199 HZ3 LYS 20 HZ3 LYS 20 -11.223 3.604 7.502 200 H LEU 21 H LEU 21 -11.107 2.641 0.550 201 HA LEU 21 HA LEU 21 -12.998 4.599 1.558 202 HB2 LEU 21 HB2 LEU 21 -10.897 5.359 0.576 203 HB3 LEU 21 HB3 LEU 21 -11.299 4.570 -0.936 204 HG LEU 21 HG LEU 21 -13.231 6.124 -1.187 205 HD11 LEU 21 HD11 LEU 21 -13.313 8.120 0.229 206 HD12 LEU 21 HD12 LEU 21 -12.023 7.458 1.232 207 HD13 LEU 21 HD13 LEU 21 -13.588 6.650 1.165 208 HD21 LEU 21 HD21 LEU 21 -11.880 8.085 -1.759 209 HD22 LEU 21 HD22 LEU 21 -11.104 6.588 -2.281 210 HD23 LEU 21 HD23 LEU 21 -10.531 7.422 -0.836 211 H LYS 22 H LYS 22 -12.650 2.447 -1.248 212 HA LYS 22 HA LYS 22 -15.192 3.305 -2.320 213 HB2 LYS 22 HB2 LYS 22 -13.186 1.238 -3.198 214 HB3 LYS 22 HB3 LYS 22 -14.705 1.509 -4.041 215 HG2 LYS 22 HG2 LYS 22 -14.062 3.807 -4.503 216 HG3 LYS 22 HG3 LYS 22 -12.560 3.576 -3.606 217 HD2 LYS 22 HD2 LYS 22 -12.221 3.418 -6.035 218 HD3 LYS 22 HD3 LYS 22 -11.822 1.911 -5.215 219 HE2 LYS 22 HE2 LYS 22 -13.080 1.579 -7.319 220 HE3 LYS 22 HE3 LYS 22 -13.910 0.925 -5.908 221 HZ1 LYS 22 HZ1 LYS 22 -14.517 3.623 -6.971 222 HZ2 LYS 22 HZ2 LYS 22 -15.448 2.664 -5.928 223 HZ3 LYS 22 HZ3 LYS 22 -15.289 2.229 -7.552 224 H LYS 23 H LYS 23 -14.029 0.735 -0.295 225 HA LYS 23 HA LYS 23 -16.645 -0.563 -0.551 226 HB2 LYS 23 HB2 LYS 23 -14.016 -1.735 0.354 227 HB3 LYS 23 HB3 LYS 23 -15.555 -2.576 0.464 228 HG2 LYS 23 HG2 LYS 23 -14.126 -1.702 -2.031 229 HG3 LYS 23 HG3 LYS 23 -14.399 -3.350 -1.471 230 HD2 LYS 23 HD2 LYS 23 -16.466 -1.385 -2.454 231 HD3 LYS 23 HD3 LYS 23 -15.952 -2.875 -3.239 232 HE2 LYS 23 HE2 LYS 23 -17.465 -2.631 -0.638 233 HE3 LYS 23 HE3 LYS 23 -18.100 -3.207 -2.177 234 HZ1 LYS 23 HZ1 LYS 23 -17.629 -5.095 -0.865 235 HZ2 LYS 23 HZ2 LYS 23 -16.091 -4.529 -0.443 236 HZ3 LYS 23 HZ3 LYS 23 -16.402 -5.023 -2.035 237 H ALA 24 H ALA 24 -17.965 -0.644 1.123 238 HA ALA 24 HA ALA 24 -16.969 0.335 3.708 239 HB1 ALA 24 HB1 ALA 24 -19.800 0.178 2.667 240 HB2 ALA 24 HB2 ALA 24 -18.812 1.635 2.782 241 HB3 ALA 24 HB3 ALA 24 -19.319 0.796 4.247 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 14.160 -0.169 -1.982 2 H2 LYS 1 H2 LYS 1 15.483 0.306 -1.025 3 H3 LYS 1 H3 LYS 1 14.056 1.224 -1.023 4 HA LYS 1 HA LYS 1 14.296 -1.557 -0.051 5 HB2 LYS 1 HB2 LYS 1 15.434 0.231 1.336 6 HB3 LYS 1 HB3 LYS 1 13.854 0.974 1.544 7 HG2 LYS 1 HG2 LYS 1 13.046 -1.061 2.643 8 HG3 LYS 1 HG3 LYS 1 14.643 -1.789 2.447 9 HD2 LYS 1 HD2 LYS 1 15.577 0.144 3.747 10 HD3 LYS 1 HD3 LYS 1 13.917 0.631 4.086 11 HE2 LYS 1 HE2 LYS 1 14.831 -0.654 5.937 12 HE3 LYS 1 HE3 LYS 1 13.505 -1.526 5.166 13 HZ1 LYS 1 HZ1 LYS 1 15.561 -2.858 5.723 14 HZ2 LYS 1 HZ2 LYS 1 16.341 -2.027 4.466 15 HZ3 LYS 1 HZ3 LYS 1 14.991 -2.997 4.131 16 H LYS 2 H LYS 2 12.306 1.405 -0.179 17 HA LYS 2 HA LYS 2 9.894 0.126 0.572 18 HB2 LYS 2 HB2 LYS 2 10.563 2.740 -0.732 19 HB3 LYS 2 HB3 LYS 2 8.889 2.211 -0.641 20 HG2 LYS 2 HG2 LYS 2 10.728 2.567 1.717 21 HG3 LYS 2 HG3 LYS 2 9.502 3.723 1.190 22 HD2 LYS 2 HD2 LYS 2 7.805 1.882 1.469 23 HD3 LYS 2 HD3 LYS 2 9.074 0.932 2.242 24 HE2 LYS 2 HE2 LYS 2 8.072 3.621 3.168 25 HE3 LYS 2 HE3 LYS 2 7.649 2.068 3.880 26 HZ1 LYS 2 HZ1 LYS 2 10.011 1.743 4.404 27 HZ2 LYS 2 HZ2 LYS 2 9.369 3.111 5.166 28 HZ3 LYS 2 HZ3 LYS 2 10.357 3.287 3.802 29 H LEU 3 H LEU 3 11.325 0.859 -2.589 30 HA LEU 3 HA LEU 3 8.962 -0.044 -3.973 31 HB2 LEU 3 HB2 LEU 3 11.626 0.991 -4.883 32 HB3 LEU 3 HB3 LEU 3 10.501 0.273 -6.020 33 HG LEU 3 HG LEU 3 8.804 1.992 -5.235 34 HD11 LEU 3 HD11 LEU 3 9.879 2.645 -3.149 35 HD12 LEU 3 HD12 LEU 3 9.688 4.034 -4.217 36 HD13 LEU 3 HD13 LEU 3 11.264 3.266 -4.044 37 HD21 LEU 3 HD21 LEU 3 9.751 3.748 -6.656 38 HD22 LEU 3 HD22 LEU 3 9.943 2.148 -7.371 39 HD23 LEU 3 HD23 LEU 3 11.317 2.942 -6.601 40 H LYS 4 H LYS 4 9.708 -2.117 -2.473 41 HA LYS 4 HA LYS 4 9.678 -4.173 -4.351 42 HB2 LYS 4 HB2 LYS 4 12.126 -3.611 -4.549 43 HB3 LYS 4 HB3 LYS 4 12.314 -4.102 -2.870 44 HG2 LYS 4 HG2 LYS 4 11.523 -6.348 -3.446 45 HG3 LYS 4 HG3 LYS 4 11.362 -5.853 -5.132 46 HD2 LYS 4 HD2 LYS 4 13.792 -5.338 -5.149 47 HD3 LYS 4 HD3 LYS 4 13.903 -5.992 -3.514 48 HE2 LYS 4 HE2 LYS 4 13.040 -8.151 -4.357 49 HE3 LYS 4 HE3 LYS 4 13.035 -7.484 -5.989 50 HZ1 LYS 4 HZ1 LYS 4 15.013 -8.750 -5.695 51 HZ2 LYS 4 HZ2 LYS 4 15.398 -7.946 -4.252 52 HZ3 LYS 4 HZ3 LYS 4 15.461 -7.112 -5.729 53 H LEU 5 H LEU 5 11.226 -3.833 -1.157 54 HA LEU 5 HA LEU 5 10.018 -6.249 -0.228 55 HB2 LEU 5 HB2 LEU 5 11.540 -4.107 1.265 56 HB3 LEU 5 HB3 LEU 5 11.010 -5.614 1.980 57 HG LEU 5 HG LEU 5 13.289 -5.916 1.502 58 HD11 LEU 5 HD11 LEU 5 11.949 -7.824 0.862 59 HD12 LEU 5 HD12 LEU 5 13.339 -7.660 -0.210 60 HD13 LEU 5 HD13 LEU 5 11.740 -7.158 -0.759 61 HD21 LEU 5 HD21 LEU 5 13.613 -3.999 0.033 62 HD22 LEU 5 HD22 LEU 5 12.784 -4.849 -1.271 63 HD23 LEU 5 HD23 LEU 5 14.323 -5.459 -0.659 64 H ALA 6 H ALA 6 9.247 -2.867 0.013 65 HA ALA 6 HA ALA 6 7.146 -3.379 1.963 66 HB1 ALA 6 HB1 ALA 6 7.973 -0.805 0.630 67 HB2 ALA 6 HB2 ALA 6 8.518 -1.369 2.208 68 HB3 ALA 6 HB3 ALA 6 6.820 -0.963 1.952 69 H LEU 7 H LEU 7 7.306 -4.131 -1.080 70 HA LEU 7 HA LEU 7 4.573 -3.209 -1.698 71 HB2 LEU 7 HB2 LEU 7 6.860 -3.645 -3.621 72 HB3 LEU 7 HB3 LEU 7 5.204 -3.333 -4.104 73 HG LEU 7 HG LEU 7 6.982 -1.431 -2.574 74 HD11 LEU 7 HD11 LEU 7 6.911 -0.098 -4.624 75 HD12 LEU 7 HD12 LEU 7 5.996 -1.380 -5.421 76 HD13 LEU 7 HD13 LEU 7 7.654 -1.675 -4.894 77 HD21 LEU 7 HD21 LEU 7 5.188 0.189 -2.886 78 HD22 LEU 7 HD22 LEU 7 4.629 -1.197 -1.948 79 HD23 LEU 7 HD23 LEU 7 4.191 -1.048 -3.651 80 H ALA 8 H ALA 8 6.956 -5.758 -1.846 81 HA ALA 8 HA ALA 8 5.549 -7.642 -3.345 82 HB1 ALA 8 HB1 ALA 8 7.930 -7.844 -2.824 83 HB2 ALA 8 HB2 ALA 8 7.042 -9.302 -2.375 84 HB3 ALA 8 HB3 ALA 8 7.531 -8.149 -1.131 85 H LYS 9 H LYS 9 5.144 -6.656 -0.035 86 HA LYS 9 HA LYS 9 3.616 -9.027 0.619 87 HB2 LYS 9 HB2 LYS 9 5.117 -7.870 2.284 88 HB3 LYS 9 HB3 LYS 9 3.954 -6.552 2.315 89 HG2 LYS 9 HG2 LYS 9 2.262 -7.958 3.220 90 HG3 LYS 9 HG3 LYS 9 3.243 -9.401 2.964 91 HD2 LYS 9 HD2 LYS 9 4.877 -8.559 4.595 92 HD3 LYS 9 HD3 LYS 9 3.858 -7.142 4.868 93 HE2 LYS 9 HE2 LYS 9 2.069 -8.544 5.688 94 HE3 LYS 9 HE3 LYS 9 2.996 -9.994 5.316 95 HZ1 LYS 9 HZ1 LYS 9 4.604 -9.403 6.976 96 HZ2 LYS 9 HZ2 LYS 9 3.065 -9.378 7.683 97 HZ3 LYS 9 HZ3 LYS 9 3.836 -7.923 7.277 98 H LEU 10 H LEU 10 2.383 -8.160 -1.426 99 HA LEU 10 HA LEU 10 0.289 -7.869 -2.202 100 HB2 LEU 10 HB2 LEU 10 -0.319 -7.879 0.737 101 HB3 LEU 10 HB3 LEU 10 -1.577 -7.626 -0.455 102 HG LEU 10 HG LEU 10 -1.649 -9.914 0.148 103 HD11 LEU 10 HD11 LEU 10 -0.199 -9.668 -2.474 104 HD12 LEU 10 HD12 LEU 10 -1.930 -9.462 -2.218 105 HD13 LEU 10 HD13 LEU 10 -1.183 -11.038 -1.957 106 HD21 LEU 10 HD21 LEU 10 0.278 -11.416 -0.016 107 HD22 LEU 10 HD22 LEU 10 0.545 -10.134 1.168 108 HD23 LEU 10 HD23 LEU 10 1.309 -10.044 -0.419 109 H ALA 11 H ALA 11 2.065 -5.519 -1.469 110 HA ALA 11 HA ALA 11 2.034 -3.250 -1.543 111 HB1 ALA 11 HB1 ALA 11 -0.571 -3.734 -2.980 112 HB2 ALA 11 HB2 ALA 11 1.031 -3.684 -3.714 113 HB3 ALA 11 HB3 ALA 11 0.345 -2.228 -2.993 114 HA PRO 12 HA PRO 12 -0.622 -3.237 2.284 115 HB2 PRO 12 HB2 PRO 12 1.150 -1.621 3.657 116 HB3 PRO 12 HB3 PRO 12 1.157 -3.387 3.687 117 HG2 PRO 12 HG2 PRO 12 2.829 -1.510 2.071 118 HG3 PRO 12 HG3 PRO 12 3.295 -3.023 2.871 119 HD2 PRO 12 HD2 PRO 12 2.876 -2.916 0.230 120 HD3 PRO 12 HD3 PRO 12 2.400 -4.337 1.182 121 H LEU 13 H LEU 13 0.880 -0.622 0.492 122 HA LEU 13 HA LEU 13 -0.699 1.419 1.797 123 HB2 LEU 13 HB2 LEU 13 1.588 1.870 0.985 124 HB3 LEU 13 HB3 LEU 13 1.050 1.583 -0.658 125 HG LEU 13 HG LEU 13 -0.477 3.531 -0.465 126 HD11 LEU 13 HD11 LEU 13 -0.156 5.094 1.402 127 HD12 LEU 13 HD12 LEU 13 0.908 3.927 2.186 128 HD13 LEU 13 HD13 LEU 13 -0.795 3.542 1.940 129 HD21 LEU 13 HD21 LEU 13 1.282 5.241 -0.572 130 HD22 LEU 13 HD22 LEU 13 1.708 3.794 -1.484 131 HD23 LEU 13 HD23 LEU 13 2.433 4.083 0.097 132 H TRP 14 H TRP 14 -0.920 -0.587 -1.010 133 HA TRP 14 HA TRP 14 -2.903 1.086 -2.305 134 HB2 TRP 14 HB2 TRP 14 -1.277 -0.069 -3.696 135 HB3 TRP 14 HB3 TRP 14 -1.772 -1.621 -3.032 136 HD1 TRP 14 HD1 TRP 14 -3.040 1.149 -5.390 137 HE1 TRP 14 HE1 TRP 14 -4.858 0.144 -6.914 138 HE3 TRP 14 HE3 TRP 14 -3.437 -3.478 -3.241 139 HZ2 TRP 14 HZ2 TRP 14 -6.268 -2.284 -7.164 140 HZ3 TRP 14 HZ3 TRP 14 -5.047 -5.080 -4.186 141 HH2 TRP 14 HH2 TRP 14 -6.431 -4.490 -6.106 142 H LYS 15 H LYS 15 -2.770 -2.157 -0.836 143 HA LYS 15 HA LYS 15 -5.478 -2.761 -1.400 144 HB2 LYS 15 HB2 LYS 15 -5.170 -4.693 0.070 145 HB3 LYS 15 HB3 LYS 15 -3.825 -4.513 -1.046 146 HG2 LYS 15 HG2 LYS 15 -2.501 -3.480 0.762 147 HG3 LYS 15 HG3 LYS 15 -3.844 -3.764 1.872 148 HD2 LYS 15 HD2 LYS 15 -3.679 -6.158 1.497 149 HD3 LYS 15 HD3 LYS 15 -2.390 -5.903 0.322 150 HE2 LYS 15 HE2 LYS 15 -1.410 -6.593 2.396 151 HE3 LYS 15 HE3 LYS 15 -1.015 -4.899 2.126 152 HZ1 LYS 15 HZ1 LYS 15 -2.576 -4.219 3.734 153 HZ2 LYS 15 HZ2 LYS 15 -1.747 -5.522 4.438 154 HZ3 LYS 15 HZ3 LYS 15 -3.302 -5.750 3.805 155 H ALA 16 H ALA 16 -4.090 -0.813 1.022 156 HA ALA 16 HA ALA 16 -6.416 -1.111 2.773 157 HB1 ALA 16 HB1 ALA 16 -4.207 -1.207 3.821 158 HB2 ALA 16 HB2 ALA 16 -5.136 0.175 4.401 159 HB3 ALA 16 HB3 ALA 16 -3.852 0.410 3.216 160 H LEU 17 H LEU 17 -5.253 0.888 0.293 161 HA LEU 17 HA LEU 17 -6.428 3.322 1.332 162 HB2 LEU 17 HB2 LEU 17 -4.334 3.381 0.025 163 HB3 LEU 17 HB3 LEU 17 -5.190 2.733 -1.361 164 HG LEU 17 HG LEU 17 -6.608 4.763 -1.400 165 HD11 LEU 17 HD11 LEU 17 -6.432 5.362 0.954 166 HD12 LEU 17 HD12 LEU 17 -5.944 6.702 -0.084 167 HD13 LEU 17 HD13 LEU 17 -4.722 5.732 0.737 168 HD21 LEU 17 HD21 LEU 17 -4.899 6.249 -2.290 169 HD22 LEU 17 HD22 LEU 17 -4.617 4.585 -2.807 170 HD23 LEU 17 HD23 LEU 17 -3.643 5.285 -1.514 171 H ALA 18 H ALA 18 -6.944 1.056 -1.320 172 HA ALA 18 HA ALA 18 -9.289 2.453 -2.207 173 HB1 ALA 18 HB1 ALA 18 -9.438 0.678 -3.906 174 HB2 ALA 18 HB2 ALA 18 -8.104 -0.165 -3.122 175 HB3 ALA 18 HB3 ALA 18 -7.839 1.416 -3.853 176 H LEU 19 H LEU 19 -8.569 0.115 0.100 177 HA LEU 19 HA LEU 19 -10.822 -1.557 -0.026 178 HB2 LEU 19 HB2 LEU 19 -8.780 -2.063 1.261 179 HB3 LEU 19 HB3 LEU 19 -9.170 -0.768 2.377 180 HG LEU 19 HG LEU 19 -11.184 -1.968 3.087 181 HD11 LEU 19 HD11 LEU 19 -11.678 -3.139 1.006 182 HD12 LEU 19 HD12 LEU 19 -11.578 -4.265 2.360 183 HD13 LEU 19 HD13 LEU 19 -10.242 -4.138 1.215 184 HD21 LEU 19 HD21 LEU 19 -9.093 -2.333 4.283 185 HD22 LEU 19 HD22 LEU 19 -8.680 -3.646 3.184 186 HD23 LEU 19 HD23 LEU 19 -10.068 -3.803 4.260 187 H LYS 20 H LYS 20 -10.215 1.388 1.899 188 HA LYS 20 HA LYS 20 -12.986 1.207 2.863 189 HB2 LYS 20 HB2 LYS 20 -10.500 2.339 3.974 190 HB3 LYS 20 HB3 LYS 20 -11.965 3.254 4.299 191 HG2 LYS 20 HG2 LYS 20 -11.631 1.779 6.120 192 HG3 LYS 20 HG3 LYS 20 -12.986 1.151 5.181 193 HD2 LYS 20 HD2 LYS 20 -11.429 -0.431 4.084 194 HD3 LYS 20 HD3 LYS 20 -10.140 0.154 5.138 195 HE2 LYS 20 HE2 LYS 20 -12.698 -1.190 6.003 196 HE3 LYS 20 HE3 LYS 20 -11.088 -1.902 6.018 197 HZ1 LYS 20 HZ1 LYS 20 -12.027 0.386 7.669 198 HZ2 LYS 20 HZ2 LYS 20 -10.428 -0.172 7.628 199 HZ3 LYS 20 HZ3 LYS 20 -11.663 -1.180 8.214 200 H LEU 21 H LEU 21 -11.536 2.633 0.332 201 HA LEU 21 HA LEU 21 -12.963 5.164 0.602 202 HB2 LEU 21 HB2 LEU 21 -11.013 4.172 -1.466 203 HB3 LEU 21 HB3 LEU 21 -11.868 5.698 -1.606 204 HG LEU 21 HG LEU 21 -9.888 4.939 0.543 205 HD11 LEU 21 HD11 LEU 21 -9.767 6.980 -1.668 206 HD12 LEU 21 HD12 LEU 21 -8.866 5.466 -1.596 207 HD13 LEU 21 HD13 LEU 21 -8.547 6.738 -0.419 208 HD21 LEU 21 HD21 LEU 21 -10.177 7.215 1.376 209 HD22 LEU 21 HD22 LEU 21 -11.685 6.307 1.471 210 HD23 LEU 21 HD23 LEU 21 -11.450 7.495 0.190 211 H LYS 22 H LYS 22 -13.426 2.085 -0.718 212 HA LYS 22 HA LYS 22 -15.702 3.118 -2.256 213 HB2 LYS 22 HB2 LYS 22 -13.862 0.882 -3.125 214 HB3 LYS 22 HB3 LYS 22 -15.350 1.341 -3.944 215 HG2 LYS 22 HG2 LYS 22 -14.364 3.622 -4.258 216 HG3 LYS 22 HG3 LYS 22 -12.844 2.974 -3.643 217 HD2 LYS 22 HD2 LYS 22 -12.783 2.937 -6.040 218 HD3 LYS 22 HD3 LYS 22 -12.903 1.276 -5.453 219 HE2 LYS 22 HE2 LYS 22 -15.262 1.223 -5.953 220 HE3 LYS 22 HE3 LYS 22 -15.244 2.932 -6.391 221 HZ1 LYS 22 HZ1 LYS 22 -13.812 0.752 -7.813 222 HZ2 LYS 22 HZ2 LYS 22 -13.739 2.399 -8.217 223 HZ3 LYS 22 HZ3 LYS 22 -15.203 1.558 -8.361 224 H LYS 23 H LYS 23 -14.308 0.373 -0.514 225 HA LYS 23 HA LYS 23 -16.960 -0.803 -0.285 226 HB2 LYS 23 HB2 LYS 23 -14.288 -1.863 0.656 227 HB3 LYS 23 HB3 LYS 23 -15.819 -2.722 0.754 228 HG2 LYS 23 HG2 LYS 23 -14.381 -1.897 -1.759 229 HG3 LYS 23 HG3 LYS 23 -14.541 -3.534 -1.120 230 HD2 LYS 23 HD2 LYS 23 -16.997 -3.350 -1.390 231 HD3 LYS 23 HD3 LYS 23 -16.768 -1.763 -2.125 232 HE2 LYS 23 HE2 LYS 23 -17.027 -3.380 -3.877 233 HE3 LYS 23 HE3 LYS 23 -15.351 -2.832 -3.860 234 HZ1 LYS 23 HZ1 LYS 23 -14.773 -4.848 -2.607 235 HZ2 LYS 23 HZ2 LYS 23 -15.445 -5.214 -4.122 236 HZ3 LYS 23 HZ3 LYS 23 -16.382 -5.372 -2.717 237 H ALA 24 H ALA 24 -17.973 0.620 1.084 238 HA ALA 24 HA ALA 24 -17.131 0.473 3.881 239 HB1 ALA 24 HB1 ALA 24 -17.847 3.053 2.483 240 HB2 ALA 24 HB2 ALA 24 -16.238 2.594 3.046 241 HB3 ALA 24 HB3 ALA 24 -17.537 2.867 4.209 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 14.733 -8.822 -6.646 2 H2 LYS 1 H2 LYS 1 14.704 -10.362 -7.359 3 H3 LYS 1 H3 LYS 1 15.871 -9.987 -6.186 4 HA LYS 1 HA LYS 1 12.956 -10.030 -5.674 5 HB2 LYS 1 HB2 LYS 1 13.495 -12.137 -4.393 6 HB3 LYS 1 HB3 LYS 1 13.585 -12.283 -6.145 7 HG2 LYS 1 HG2 LYS 1 16.011 -12.080 -6.047 8 HG3 LYS 1 HG3 LYS 1 15.928 -11.911 -4.293 9 HD2 LYS 1 HD2 LYS 1 15.108 -14.133 -4.038 10 HD3 LYS 1 HD3 LYS 1 14.875 -14.310 -5.778 11 HE2 LYS 1 HE2 LYS 1 17.542 -13.900 -4.433 12 HE3 LYS 1 HE3 LYS 1 16.897 -15.467 -4.920 13 HZ1 LYS 1 HZ1 LYS 1 18.414 -14.601 -6.580 14 HZ2 LYS 1 HZ2 LYS 1 17.491 -13.191 -6.740 15 HZ3 LYS 1 HZ3 LYS 1 16.844 -14.683 -7.212 16 H LYS 2 H LYS 2 12.638 -10.377 -3.248 17 HA LYS 2 HA LYS 2 12.789 -9.537 -1.148 18 HB2 LYS 2 HB2 LYS 2 15.714 -10.071 -1.663 19 HB3 LYS 2 HB3 LYS 2 15.050 -9.672 -0.086 20 HG2 LYS 2 HG2 LYS 2 13.572 -11.690 -0.313 21 HG3 LYS 2 HG3 LYS 2 14.508 -12.113 -1.750 22 HD2 LYS 2 HD2 LYS 2 15.680 -11.680 0.998 23 HD3 LYS 2 HD3 LYS 2 15.298 -13.257 0.308 24 HE2 LYS 2 HE2 LYS 2 16.931 -12.998 -1.399 25 HE3 LYS 2 HE3 LYS 2 17.168 -11.296 -1.004 26 HZ1 LYS 2 HZ1 LYS 2 18.928 -12.829 -0.163 27 HZ2 LYS 2 HZ2 LYS 2 17.774 -13.504 0.882 28 HZ3 LYS 2 HZ3 LYS 2 18.199 -11.868 1.029 29 H LEU 3 H LEU 3 12.610 -7.550 -3.093 30 HA LEU 3 HA LEU 3 13.723 -5.357 -1.539 31 HB2 LEU 3 HB2 LEU 3 15.362 -5.743 -3.332 32 HB3 LEU 3 HB3 LEU 3 14.092 -5.578 -4.530 33 HG LEU 3 HG LEU 3 13.764 -3.223 -3.803 34 HD11 LEU 3 HD11 LEU 3 16.224 -3.729 -2.139 35 HD12 LEU 3 HD12 LEU 3 14.598 -3.423 -1.526 36 HD13 LEU 3 HD13 LEU 3 15.459 -2.163 -2.410 37 HD21 LEU 3 HD21 LEU 3 15.157 -3.739 -5.727 38 HD22 LEU 3 HD22 LEU 3 16.557 -3.942 -4.675 39 HD23 LEU 3 HD23 LEU 3 15.804 -2.357 -4.841 40 H LYS 4 H LYS 4 12.310 -5.288 -4.766 41 HA LYS 4 HA LYS 4 10.173 -3.616 -3.715 42 HB2 LYS 4 HB2 LYS 4 9.670 -3.171 -6.106 43 HB3 LYS 4 HB3 LYS 4 11.317 -2.758 -5.652 44 HG2 LYS 4 HG2 LYS 4 12.022 -4.979 -6.598 45 HG3 LYS 4 HG3 LYS 4 10.388 -5.135 -7.243 46 HD2 LYS 4 HD2 LYS 4 11.836 -4.253 -8.953 47 HD3 LYS 4 HD3 LYS 4 10.709 -2.992 -8.448 48 HE2 LYS 4 HE2 LYS 4 12.446 -2.043 -6.995 49 HE3 LYS 4 HE3 LYS 4 13.567 -3.292 -7.532 50 HZ1 LYS 4 HZ1 LYS 4 13.324 -2.431 -9.806 51 HZ2 LYS 4 HZ2 LYS 4 13.961 -1.274 -8.745 52 HZ3 LYS 4 HZ3 LYS 4 12.334 -1.182 -9.221 53 H LEU 5 H LEU 5 10.679 -6.722 -5.254 54 HA LEU 5 HA LEU 5 7.941 -7.343 -5.644 55 HB2 LEU 5 HB2 LEU 5 9.800 -8.500 -6.800 56 HB3 LEU 5 HB3 LEU 5 10.292 -9.206 -5.272 57 HG LEU 5 HG LEU 5 8.130 -10.408 -5.158 58 HD11 LEU 5 HD11 LEU 5 6.793 -8.867 -6.492 59 HD12 LEU 5 HD12 LEU 5 6.709 -10.505 -7.140 60 HD13 LEU 5 HD13 LEU 5 7.719 -9.295 -7.931 61 HD21 LEU 5 HD21 LEU 5 8.638 -12.034 -6.914 62 HD22 LEU 5 HD22 LEU 5 10.100 -11.504 -6.081 63 HD23 LEU 5 HD23 LEU 5 9.718 -10.871 -7.682 64 H ALA 6 H ALA 6 10.043 -7.388 -2.916 65 HA ALA 6 HA ALA 6 8.600 -9.238 -1.310 66 HB1 ALA 6 HB1 ALA 6 9.935 -8.378 0.540 67 HB2 ALA 6 HB2 ALA 6 10.474 -7.029 -0.461 68 HB3 ALA 6 HB3 ALA 6 10.945 -8.679 -0.873 69 H LEU 7 H LEU 7 7.918 -6.112 -2.339 70 HA LEU 7 HA LEU 7 6.088 -5.648 -0.082 71 HB2 LEU 7 HB2 LEU 7 7.870 -3.942 -0.362 72 HB3 LEU 7 HB3 LEU 7 7.276 -3.619 -1.979 73 HG LEU 7 HG LEU 7 5.116 -2.879 -1.008 74 HD11 LEU 7 HD11 LEU 7 5.163 -4.146 1.060 75 HD12 LEU 7 HD12 LEU 7 5.004 -2.421 1.396 76 HD13 LEU 7 HD13 LEU 7 6.560 -3.222 1.615 77 HD21 LEU 7 HD21 LEU 7 6.869 -1.264 -1.558 78 HD22 LEU 7 HD22 LEU 7 7.548 -1.451 0.059 79 HD23 LEU 7 HD23 LEU 7 5.941 -0.755 -0.149 80 H ALA 8 H ALA 8 6.471 -5.908 -3.518 81 HA ALA 8 HA ALA 8 3.876 -4.971 -4.235 82 HB1 ALA 8 HB1 ALA 8 4.380 -5.883 -6.445 83 HB2 ALA 8 HB2 ALA 8 5.791 -6.712 -5.786 84 HB3 ALA 8 HB3 ALA 8 5.740 -4.950 -5.816 85 H LYS 9 H LYS 9 4.755 -7.635 -2.537 86 HA LYS 9 HA LYS 9 2.538 -9.259 -3.573 87 HB2 LYS 9 HB2 LYS 9 4.723 -10.080 -1.649 88 HB3 LYS 9 HB3 LYS 9 3.475 -11.129 -2.298 89 HG2 LYS 9 HG2 LYS 9 5.702 -9.819 -3.843 90 HG3 LYS 9 HG3 LYS 9 5.571 -11.524 -3.419 91 HD2 LYS 9 HD2 LYS 9 3.698 -9.995 -5.225 92 HD3 LYS 9 HD3 LYS 9 4.946 -11.124 -5.748 93 HE2 LYS 9 HE2 LYS 9 3.756 -12.868 -4.336 94 HE3 LYS 9 HE3 LYS 9 2.430 -11.711 -4.211 95 HZ1 LYS 9 HZ1 LYS 9 1.942 -13.140 -6.014 96 HZ2 LYS 9 HZ2 LYS 9 3.495 -12.986 -6.662 97 HZ3 LYS 9 HZ3 LYS 9 2.429 -11.666 -6.707 98 H LEU 10 H LEU 10 3.118 -6.925 -1.462 99 HA LEU 10 HA LEU 10 1.164 -7.914 0.506 100 HB2 LEU 10 HB2 LEU 10 3.316 -5.817 0.871 101 HB3 LEU 10 HB3 LEU 10 2.149 -6.294 2.087 102 HG LEU 10 HG LEU 10 4.272 -8.108 0.935 103 HD11 LEU 10 HD11 LEU 10 4.133 -6.702 3.598 104 HD12 LEU 10 HD12 LEU 10 5.239 -6.315 2.281 105 HD13 LEU 10 HD13 LEU 10 5.361 -7.869 3.108 106 HD21 LEU 10 HD21 LEU 10 3.633 -9.615 2.743 107 HD22 LEU 10 HD22 LEU 10 2.263 -9.291 1.683 108 HD23 LEU 10 HD23 LEU 10 2.373 -8.489 3.249 109 H ALA 11 H ALA 11 2.434 -5.052 -1.149 110 HA ALA 11 HA ALA 11 1.510 -3.019 -1.653 111 HB1 ALA 11 HB1 ALA 11 -0.517 -3.171 -3.002 112 HB2 ALA 11 HB2 ALA 11 -0.798 -4.809 -2.407 113 HB3 ALA 11 HB3 ALA 11 0.615 -4.463 -3.404 114 HA PRO 12 HA PRO 12 -1.148 -3.261 2.280 115 HB2 PRO 12 HB2 PRO 12 0.366 -1.679 3.895 116 HB3 PRO 12 HB3 PRO 12 0.615 -3.420 3.737 117 HG2 PRO 12 HG2 PRO 12 2.089 -1.169 2.432 118 HG3 PRO 12 HG3 PRO 12 2.729 -2.662 3.146 119 HD2 PRO 12 HD2 PRO 12 2.412 -2.340 0.479 120 HD3 PRO 12 HD3 PRO 12 2.236 -3.914 1.277 121 H LEU 13 H LEU 13 0.522 -0.479 0.902 122 HA LEU 13 HA LEU 13 -1.078 1.536 2.014 123 HB2 LEU 13 HB2 LEU 13 1.060 2.013 0.967 124 HB3 LEU 13 HB3 LEU 13 0.456 1.466 -0.584 125 HG LEU 13 HG LEU 13 -1.185 3.357 -0.540 126 HD11 LEU 13 HD11 LEU 13 -1.235 3.726 1.870 127 HD12 LEU 13 HD12 LEU 13 -0.784 5.197 1.010 128 HD13 LEU 13 HD13 LEU 13 0.450 4.244 1.831 129 HD21 LEU 13 HD21 LEU 13 1.732 4.109 -0.373 130 HD22 LEU 13 HD22 LEU 13 0.458 5.062 -1.135 131 HD23 LEU 13 HD23 LEU 13 0.902 3.491 -1.801 132 H TRP 14 H TRP 14 -1.456 -0.427 -0.881 133 HA TRP 14 HA TRP 14 -3.616 1.242 -1.843 134 HB2 TRP 14 HB2 TRP 14 -2.381 -1.256 -3.013 135 HB3 TRP 14 HB3 TRP 14 -3.571 -0.236 -3.817 136 HD1 TRP 14 HD1 TRP 14 -2.741 2.293 -4.472 137 HE1 TRP 14 HE1 TRP 14 -0.391 3.187 -5.046 138 HE3 TRP 14 HE3 TRP 14 0.057 -1.542 -2.582 139 HZ2 TRP 14 HZ2 TRP 14 2.289 2.355 -4.751 140 HZ3 TRP 14 HZ3 TRP 14 2.508 -1.418 -2.774 141 HH2 TRP 14 HH2 TRP 14 3.599 0.490 -3.837 142 H LYS 15 H LYS 15 -3.216 -1.795 -0.182 143 HA LYS 15 HA LYS 15 -5.735 -2.921 -0.657 144 HB2 LYS 15 HB2 LYS 15 -4.088 -3.051 1.878 145 HB3 LYS 15 HB3 LYS 15 -5.446 -4.099 1.496 146 HG2 LYS 15 HG2 LYS 15 -4.176 -4.888 -0.498 147 HG3 LYS 15 HG3 LYS 15 -2.794 -3.963 0.088 148 HD2 LYS 15 HD2 LYS 15 -2.478 -6.191 0.837 149 HD3 LYS 15 HD3 LYS 15 -2.992 -5.261 2.245 150 HE2 LYS 15 HE2 LYS 15 -4.147 -7.404 2.165 151 HE3 LYS 15 HE3 LYS 15 -5.285 -6.076 1.940 152 HZ1 LYS 15 HZ1 LYS 15 -5.658 -7.928 0.390 153 HZ2 LYS 15 HZ2 LYS 15 -4.114 -7.686 -0.268 154 HZ3 LYS 15 HZ3 LYS 15 -5.299 -6.482 -0.417 155 H ALA 16 H ALA 16 -4.708 -0.419 1.594 156 HA ALA 16 HA ALA 16 -7.441 -0.245 2.633 157 HB1 ALA 16 HB1 ALA 16 -5.649 -0.361 4.290 158 HB2 ALA 16 HB2 ALA 16 -6.504 1.179 4.388 159 HB3 ALA 16 HB3 ALA 16 -4.921 1.097 3.615 160 H LEU 17 H LEU 17 -5.506 1.161 0.278 161 HA LEU 17 HA LEU 17 -6.583 3.834 0.494 162 HB2 LEU 17 HB2 LEU 17 -4.320 3.491 -0.388 163 HB3 LEU 17 HB3 LEU 17 -4.966 2.510 -1.688 164 HG LEU 17 HG LEU 17 -6.169 4.505 -2.547 165 HD11 LEU 17 HD11 LEU 17 -6.325 5.748 -0.448 166 HD12 LEU 17 HD12 LEU 17 -5.571 6.709 -1.719 167 HD13 LEU 17 HD13 LEU 17 -4.577 5.981 -0.456 168 HD21 LEU 17 HD21 LEU 17 -4.193 5.604 -3.461 169 HD22 LEU 17 HD22 LEU 17 -4.008 3.850 -3.460 170 HD23 LEU 17 HD23 LEU 17 -3.189 4.824 -2.238 171 H ALA 18 H ALA 18 -7.120 0.894 -1.312 172 HA ALA 18 HA ALA 18 -9.258 2.185 -2.811 173 HB1 ALA 18 HB1 ALA 18 -9.242 0.220 -4.235 174 HB2 ALA 18 HB2 ALA 18 -8.072 -0.558 -3.170 175 HB3 ALA 18 HB3 ALA 18 -7.615 0.883 -4.078 176 H LEU 19 H LEU 19 -8.728 -0.678 -0.753 177 HA LEU 19 HA LEU 19 -11.470 -1.480 -1.073 178 HB2 LEU 19 HB2 LEU 19 -9.497 -3.033 -0.876 179 HB3 LEU 19 HB3 LEU 19 -9.429 -2.615 0.824 180 HG LEU 19 HG LEU 19 -11.711 -3.523 1.123 181 HD11 LEU 19 HD11 LEU 19 -11.404 -4.375 -1.754 182 HD12 LEU 19 HD12 LEU 19 -12.544 -3.178 -1.139 183 HD13 LEU 19 HD13 LEU 19 -12.700 -4.869 -0.666 184 HD21 LEU 19 HD21 LEU 19 -9.747 -5.433 -0.139 185 HD22 LEU 19 HD22 LEU 19 -11.091 -5.874 0.915 186 HD23 LEU 19 HD23 LEU 19 -9.751 -4.919 1.549 187 H LYS 20 H LYS 20 -9.798 0.548 1.120 188 HA LYS 20 HA LYS 20 -11.991 0.306 3.059 189 HB2 LYS 20 HB2 LYS 20 -9.200 1.399 3.316 190 HB3 LYS 20 HB3 LYS 20 -10.445 1.752 4.507 191 HG2 LYS 20 HG2 LYS 20 -9.496 -0.999 3.741 192 HG3 LYS 20 HG3 LYS 20 -9.011 -0.109 5.185 193 HD2 LYS 20 HD2 LYS 20 -11.446 -0.014 5.817 194 HD3 LYS 20 HD3 LYS 20 -11.764 -1.120 4.483 195 HE2 LYS 20 HE2 LYS 20 -9.963 -1.654 6.839 196 HE3 LYS 20 HE3 LYS 20 -11.584 -2.307 6.609 197 HZ1 LYS 20 HZ1 LYS 20 -9.214 -2.847 4.899 198 HZ2 LYS 20 HZ2 LYS 20 -10.780 -3.424 4.598 199 HZ3 LYS 20 HZ3 LYS 20 -9.945 -3.926 5.985 200 H LEU 21 H LEU 21 -11.228 2.081 0.438 201 HA LEU 21 HA LEU 21 -12.478 4.516 1.521 202 HB2 LEU 21 HB2 LEU 21 -10.258 4.846 0.509 203 HB3 LEU 21 HB3 LEU 21 -10.847 4.169 -0.996 204 HG LEU 21 HG LEU 21 -12.462 6.052 -1.166 205 HD11 LEU 21 HD11 LEU 21 -10.962 7.119 1.221 206 HD12 LEU 21 HD12 LEU 21 -12.651 6.612 1.188 207 HD13 LEU 21 HD13 LEU 21 -12.134 8.017 0.255 208 HD21 LEU 21 HD21 LEU 21 -10.339 6.137 -2.345 209 HD22 LEU 21 HD22 LEU 21 -9.561 6.833 -0.922 210 HD23 LEU 21 HD23 LEU 21 -10.804 7.743 -1.781 211 H LYS 22 H LYS 22 -12.495 2.248 -1.184 212 HA LYS 22 HA LYS 22 -14.912 3.368 -2.288 213 HB2 LYS 22 HB2 LYS 22 -13.187 2.450 -3.759 214 HB3 LYS 22 HB3 LYS 22 -13.356 0.875 -3.003 215 HG2 LYS 22 HG2 LYS 22 -14.471 0.951 -5.157 216 HG3 LYS 22 HG3 LYS 22 -15.624 0.690 -3.848 217 HD2 LYS 22 HD2 LYS 22 -16.253 3.039 -3.905 218 HD3 LYS 22 HD3 LYS 22 -15.058 3.341 -5.169 219 HE2 LYS 22 HE2 LYS 22 -17.357 1.414 -5.442 220 HE3 LYS 22 HE3 LYS 22 -17.400 3.087 -5.997 221 HZ1 LYS 22 HZ1 LYS 22 -15.749 2.670 -7.583 222 HZ2 LYS 22 HZ2 LYS 22 -16.809 1.350 -7.706 223 HZ3 LYS 22 HZ3 LYS 22 -15.327 1.179 -6.900 224 H LYS 23 H LYS 23 -14.016 0.775 -0.137 225 HA LYS 23 HA LYS 23 -16.783 -0.189 -0.161 226 HB2 LYS 23 HB2 LYS 23 -14.229 -1.525 0.713 227 HB3 LYS 23 HB3 LYS 23 -15.815 -2.166 1.108 228 HG2 LYS 23 HG2 LYS 23 -14.655 -1.782 -1.638 229 HG3 LYS 23 HG3 LYS 23 -14.957 -3.312 -0.811 230 HD2 LYS 23 HD2 LYS 23 -17.408 -2.508 -0.710 231 HD3 LYS 23 HD3 LYS 23 -16.923 -1.362 -1.959 232 HE2 LYS 23 HE2 LYS 23 -17.847 -3.300 -3.023 233 HE3 LYS 23 HE3 LYS 23 -16.109 -3.272 -3.318 234 HZ1 LYS 23 HZ1 LYS 23 -17.325 -4.837 -1.115 235 HZ2 LYS 23 HZ2 LYS 23 -15.759 -4.979 -1.751 236 HZ3 LYS 23 HZ3 LYS 23 -17.098 -5.478 -2.667 237 H ALA 24 H ALA 24 -18.012 -0.104 1.610 238 HA ALA 24 HA ALA 24 -16.769 0.700 4.147 239 HB1 ALA 24 HB1 ALA 24 -17.779 2.688 3.122 240 HB2 ALA 24 HB2 ALA 24 -18.615 2.224 4.602 241 HB3 ALA 24 HB3 ALA 24 -19.331 1.852 3.032 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 16.128 1.652 -5.798 2 H2 LYS 1 H2 LYS 1 16.461 0.071 -6.310 3 H3 LYS 1 H3 LYS 1 17.407 0.785 -5.096 4 HA LYS 1 HA LYS 1 15.836 -0.826 -4.217 5 HB2 LYS 1 HB2 LYS 1 14.874 0.589 -2.452 6 HB3 LYS 1 HB3 LYS 1 16.557 0.978 -2.763 7 HG2 LYS 1 HG2 LYS 1 14.342 2.560 -4.019 8 HG3 LYS 1 HG3 LYS 1 14.899 2.893 -2.383 9 HD2 LYS 1 HD2 LYS 1 17.177 3.229 -3.239 10 HD3 LYS 1 HD3 LYS 1 16.595 2.932 -4.877 11 HE2 LYS 1 HE2 LYS 1 15.738 5.175 -3.050 12 HE3 LYS 1 HE3 LYS 1 16.799 5.319 -4.450 13 HZ1 LYS 1 HZ1 LYS 1 14.655 5.999 -5.121 14 HZ2 LYS 1 HZ2 LYS 1 13.913 4.643 -4.431 15 HZ3 LYS 1 HZ3 LYS 1 14.894 4.462 -5.802 16 H LYS 2 H LYS 2 14.767 0.080 -6.873 17 HA LYS 2 HA LYS 2 11.956 0.568 -6.319 18 HB2 LYS 2 HB2 LYS 2 13.218 1.679 -8.207 19 HB3 LYS 2 HB3 LYS 2 13.299 0.109 -8.989 20 HG2 LYS 2 HG2 LYS 2 11.509 1.480 -9.908 21 HG3 LYS 2 HG3 LYS 2 10.874 0.029 -9.133 22 HD2 LYS 2 HD2 LYS 2 10.180 1.271 -7.212 23 HD3 LYS 2 HD3 LYS 2 11.028 2.713 -7.769 24 HE2 LYS 2 HE2 LYS 2 8.587 2.837 -8.117 25 HE3 LYS 2 HE3 LYS 2 9.505 2.953 -9.618 26 HZ1 LYS 2 HZ1 LYS 2 8.342 0.401 -8.658 27 HZ2 LYS 2 HZ2 LYS 2 8.923 0.770 -10.211 28 HZ3 LYS 2 HZ3 LYS 2 7.485 1.475 -9.652 29 H LEU 3 H LEU 3 12.101 -1.566 -5.098 30 HA LEU 3 HA LEU 3 10.717 -3.541 -6.620 31 HB2 LEU 3 HB2 LEU 3 13.022 -4.092 -7.275 32 HB3 LEU 3 HB3 LEU 3 13.463 -4.260 -5.586 33 HG LEU 3 HG LEU 3 11.873 -6.159 -5.392 34 HD11 LEU 3 HD11 LEU 3 10.979 -7.178 -7.419 35 HD12 LEU 3 HD12 LEU 3 11.634 -5.856 -8.384 36 HD13 LEU 3 HD13 LEU 3 10.356 -5.544 -7.210 37 HD21 LEU 3 HD21 LEU 3 14.236 -6.565 -5.798 38 HD22 LEU 3 HD22 LEU 3 13.977 -6.425 -7.535 39 HD23 LEU 3 HD23 LEU 3 13.246 -7.758 -6.641 40 H LYS 4 H LYS 4 12.838 -3.615 -3.746 41 HA LYS 4 HA LYS 4 10.778 -5.003 -2.263 42 HB2 LYS 4 HB2 LYS 4 13.499 -4.041 -1.374 43 HB3 LYS 4 HB3 LYS 4 12.455 -5.143 -0.490 44 HG2 LYS 4 HG2 LYS 4 12.698 -6.816 -2.216 45 HG3 LYS 4 HG3 LYS 4 13.649 -5.699 -3.195 46 HD2 LYS 4 HD2 LYS 4 15.344 -5.614 -1.409 47 HD3 LYS 4 HD3 LYS 4 14.409 -6.795 -0.491 48 HE2 LYS 4 HE2 LYS 4 14.697 -8.439 -2.244 49 HE3 LYS 4 HE3 LYS 4 15.534 -7.255 -3.251 50 HZ1 LYS 4 HZ1 LYS 4 16.481 -8.211 -0.602 51 HZ2 LYS 4 HZ2 LYS 4 17.296 -7.140 -1.639 52 HZ3 LYS 4 HZ3 LYS 4 17.065 -8.755 -2.099 53 H LEU 5 H LEU 5 12.643 -2.002 -1.854 54 HA LEU 5 HA LEU 5 11.221 -1.051 0.373 55 HB2 LEU 5 HB2 LEU 5 13.431 -0.204 -0.404 56 HB3 LEU 5 HB3 LEU 5 12.619 0.583 -1.745 57 HG LEU 5 HG LEU 5 11.323 1.932 -0.086 58 HD11 LEU 5 HD11 LEU 5 11.513 0.431 1.815 59 HD12 LEU 5 HD12 LEU 5 12.145 2.030 2.211 60 HD13 LEU 5 HD13 LEU 5 13.256 0.701 1.870 61 HD21 LEU 5 HD21 LEU 5 13.158 3.435 0.451 62 HD22 LEU 5 HD22 LEU 5 13.300 2.828 -1.198 63 HD23 LEU 5 HD23 LEU 5 14.321 2.164 0.078 64 H ALA 6 H ALA 6 10.744 -0.600 -3.073 65 HA ALA 6 HA ALA 6 8.553 1.222 -2.791 66 HB1 ALA 6 HB1 ALA 6 10.004 1.231 -4.759 67 HB2 ALA 6 HB2 ALA 6 8.315 0.981 -5.204 68 HB3 ALA 6 HB3 ALA 6 9.436 -0.383 -5.186 69 H LEU 7 H LEU 7 8.673 -1.856 -1.897 70 HA LEU 7 HA LEU 7 5.834 -2.291 -2.554 71 HB2 LEU 7 HB2 LEU 7 7.364 -3.796 -3.848 72 HB3 LEU 7 HB3 LEU 7 7.929 -4.456 -2.325 73 HG LEU 7 HG LEU 7 5.654 -5.282 -1.847 74 HD11 LEU 7 HD11 LEU 7 5.019 -4.236 -4.604 75 HD12 LEU 7 HD12 LEU 7 4.375 -3.621 -3.081 76 HD13 LEU 7 HD13 LEU 7 3.961 -5.250 -3.623 77 HD21 LEU 7 HD21 LEU 7 7.269 -6.733 -2.972 78 HD22 LEU 7 HD22 LEU 7 6.726 -6.127 -4.539 79 HD23 LEU 7 HD23 LEU 7 5.624 -7.056 -3.524 80 H ALA 8 H ALA 8 7.843 -1.453 -0.239 81 HA ALA 8 HA ALA 8 6.408 -2.951 1.847 82 HB1 ALA 8 HB1 ALA 8 8.802 -3.474 1.812 83 HB2 ALA 8 HB2 ALA 8 8.333 -2.651 3.301 84 HB3 ALA 8 HB3 ALA 8 9.175 -1.763 2.028 85 H LYS 9 H LYS 9 7.550 0.152 0.728 86 HA LYS 9 HA LYS 9 6.477 1.525 3.044 87 HB2 LYS 9 HB2 LYS 9 7.815 2.608 0.558 88 HB3 LYS 9 HB3 LYS 9 7.322 3.574 1.942 89 HG2 LYS 9 HG2 LYS 9 9.376 1.374 1.968 90 HG3 LYS 9 HG3 LYS 9 9.708 3.106 1.984 91 HD2 LYS 9 HD2 LYS 9 8.492 3.277 4.137 92 HD3 LYS 9 HD3 LYS 9 8.272 1.524 4.118 93 HE2 LYS 9 HE2 LYS 9 10.704 1.227 4.099 94 HE3 LYS 9 HE3 LYS 9 10.918 2.976 4.136 95 HZ1 LYS 9 HZ1 LYS 9 9.731 2.984 6.285 96 HZ2 LYS 9 HZ2 LYS 9 11.182 2.105 6.326 97 HZ3 LYS 9 HZ3 LYS 9 9.697 1.286 6.252 98 H LEU 10 H LEU 10 4.315 1.212 2.923 99 HA LEU 10 HA LEU 10 2.211 1.994 2.590 100 HB2 LEU 10 HB2 LEU 10 3.523 3.841 0.603 101 HB3 LEU 10 HB3 LEU 10 1.829 3.913 1.044 102 HG LEU 10 HG LEU 10 4.143 4.342 2.933 103 HD11 LEU 10 HD11 LEU 10 3.457 6.677 2.928 104 HD12 LEU 10 HD12 LEU 10 2.207 6.320 1.738 105 HD13 LEU 10 HD13 LEU 10 3.907 6.150 1.305 106 HD21 LEU 10 HD21 LEU 10 2.405 5.088 4.508 107 HD22 LEU 10 HD22 LEU 10 2.225 3.387 4.072 108 HD23 LEU 10 HD23 LEU 10 1.165 4.600 3.351 109 H ALA 11 H ALA 11 4.064 0.674 0.059 110 HA ALA 11 HA ALA 11 2.214 0.468 -1.997 111 HB1 ALA 11 HB1 ALA 11 4.272 -1.602 -1.280 112 HB2 ALA 11 HB2 ALA 11 4.593 -0.130 -2.193 113 HB3 ALA 11 HB3 ALA 11 3.517 -1.359 -2.851 114 HA PRO 12 HA PRO 12 0.503 -3.628 0.020 115 HB2 PRO 12 HB2 PRO 12 1.216 -3.210 2.860 116 HB3 PRO 12 HB3 PRO 12 1.269 -4.688 1.894 117 HG2 PRO 12 HG2 PRO 12 3.510 -3.438 2.609 118 HG3 PRO 12 HG3 PRO 12 3.349 -4.191 1.010 119 HD2 PRO 12 HD2 PRO 12 3.118 -1.302 1.775 120 HD3 PRO 12 HD3 PRO 12 3.944 -2.033 0.382 121 H LEU 13 H LEU 13 0.683 -0.526 1.595 122 HA LEU 13 HA LEU 13 -1.897 -0.768 2.859 123 HB2 LEU 13 HB2 LEU 13 0.048 1.522 2.613 124 HB3 LEU 13 HB3 LEU 13 -1.513 1.683 3.390 125 HG LEU 13 HG LEU 13 0.068 1.386 5.117 126 HD11 LEU 13 HD11 LEU 13 -0.620 -0.706 6.170 127 HD12 LEU 13 HD12 LEU 13 -1.277 -1.268 4.632 128 HD13 LEU 13 HD13 LEU 13 -1.987 0.134 5.435 129 HD21 LEU 13 HD21 LEU 13 1.120 -0.986 3.578 130 HD22 LEU 13 HD22 LEU 13 1.614 -0.541 5.212 131 HD23 LEU 13 HD23 LEU 13 1.946 0.547 3.864 132 H TRP 14 H TRP 14 -0.741 0.135 -0.206 133 HA TRP 14 HA TRP 14 -2.698 1.962 -1.030 134 HB2 TRP 14 HB2 TRP 14 -0.702 1.489 -2.364 135 HB3 TRP 14 HB3 TRP 14 -1.253 -0.162 -2.634 136 HD1 TRP 14 HD1 TRP 14 -2.817 -0.575 -4.657 137 HE1 TRP 14 HE1 TRP 14 -3.903 0.929 -6.452 138 HE3 TRP 14 HE3 TRP 14 -1.723 3.994 -2.637 139 HZ2 TRP 14 HZ2 TRP 14 -4.240 3.695 -6.932 140 HZ3 TRP 14 HZ3 TRP 14 -2.464 6.017 -3.825 141 HH2 TRP 14 HH2 TRP 14 -3.696 5.869 -5.928 142 H LYS 15 H LYS 15 -2.678 -1.538 -0.820 143 HA LYS 15 HA LYS 15 -5.143 -1.984 -2.133 144 HB2 LYS 15 HB2 LYS 15 -3.831 -3.694 -0.012 145 HB3 LYS 15 HB3 LYS 15 -5.057 -4.215 -1.160 146 HG2 LYS 15 HG2 LYS 15 -3.454 -3.710 -3.001 147 HG3 LYS 15 HG3 LYS 15 -2.229 -3.384 -1.774 148 HD2 LYS 15 HD2 LYS 15 -2.583 -5.695 -0.904 149 HD3 LYS 15 HD3 LYS 15 -3.660 -5.991 -2.272 150 HE2 LYS 15 HE2 LYS 15 -1.764 -5.370 -3.782 151 HE3 LYS 15 HE3 LYS 15 -0.723 -5.338 -2.359 152 HZ1 LYS 15 HZ1 LYS 15 -2.187 -7.673 -3.462 153 HZ2 LYS 15 HZ2 LYS 15 -1.395 -7.685 -1.962 154 HZ3 LYS 15 HZ3 LYS 15 -0.509 -7.454 -3.386 155 H ALA 16 H ALA 16 -4.235 -1.328 1.193 156 HA ALA 16 HA ALA 16 -6.841 -1.724 2.284 157 HB1 ALA 16 HB1 ALA 16 -5.928 -0.683 4.297 158 HB2 ALA 16 HB2 ALA 16 -4.492 -0.195 3.399 159 HB3 ALA 16 HB3 ALA 16 -4.829 -1.906 3.659 160 H LEU 17 H LEU 17 -5.262 0.867 0.651 161 HA LEU 17 HA LEU 17 -6.989 2.941 1.622 162 HB2 LEU 17 HB2 LEU 17 -4.707 3.427 0.816 163 HB3 LEU 17 HB3 LEU 17 -5.160 2.880 -0.787 164 HG LEU 17 HG LEU 17 -6.805 4.728 -0.923 165 HD11 LEU 17 HD11 LEU 17 -5.570 5.589 1.688 166 HD12 LEU 17 HD12 LEU 17 -7.225 5.025 1.456 167 HD13 LEU 17 HD13 LEU 17 -6.696 6.537 0.718 168 HD21 LEU 17 HD21 LEU 17 -3.976 5.574 -0.312 169 HD22 LEU 17 HD22 LEU 17 -5.164 6.518 -1.211 170 HD23 LEU 17 HD23 LEU 17 -4.570 4.991 -1.866 171 H ALA 18 H ALA 18 -6.716 0.866 -1.194 172 HA ALA 18 HA ALA 18 -8.979 1.895 -2.536 173 HB1 ALA 18 HB1 ALA 18 -7.246 0.601 -3.691 174 HB2 ALA 18 HB2 ALA 18 -8.844 -0.105 -3.926 175 HB3 ALA 18 HB3 ALA 18 -7.719 -0.834 -2.782 176 H LEU 19 H LEU 19 -8.471 -0.579 -0.129 177 HA LEU 19 HA LEU 19 -10.978 -1.819 -0.143 178 HB2 LEU 19 HB2 LEU 19 -8.998 -2.644 1.076 179 HB3 LEU 19 HB3 LEU 19 -9.130 -1.297 2.189 180 HG LEU 19 HG LEU 19 -11.376 -2.180 2.874 181 HD11 LEU 19 HD11 LEU 19 -11.887 -4.513 2.345 182 HD12 LEU 19 HD12 LEU 19 -10.505 -4.563 1.250 183 HD13 LEU 19 HD13 LEU 19 -11.871 -3.503 0.899 184 HD21 LEU 19 HD21 LEU 19 -9.418 -2.575 4.243 185 HD22 LEU 19 HD22 LEU 19 -8.985 -3.974 3.263 186 HD23 LEU 19 HD23 LEU 19 -10.448 -4.005 4.244 187 H LYS 20 H LYS 20 -9.810 0.979 1.709 188 HA LYS 20 HA LYS 20 -12.445 1.371 2.874 189 HB2 LYS 20 HB2 LYS 20 -9.835 2.849 3.250 190 HB3 LYS 20 HB3 LYS 20 -11.320 3.233 4.109 191 HG2 LYS 20 HG2 LYS 20 -11.325 1.024 5.126 192 HG3 LYS 20 HG3 LYS 20 -9.861 0.604 4.239 193 HD2 LYS 20 HD2 LYS 20 -9.204 1.198 6.455 194 HD3 LYS 20 HD3 LYS 20 -8.719 2.514 5.389 195 HE2 LYS 20 HE2 LYS 20 -11.326 2.581 6.880 196 HE3 LYS 20 HE3 LYS 20 -9.823 3.099 7.637 197 HZ1 LYS 20 HZ1 LYS 20 -11.037 4.254 5.181 198 HZ2 LYS 20 HZ2 LYS 20 -9.547 4.721 5.843 199 HZ3 LYS 20 HZ3 LYS 20 -10.983 4.976 6.712 200 H LEU 21 H LEU 21 -11.321 2.033 -0.041 201 HA LEU 21 HA LEU 21 -11.936 4.838 -0.263 202 HB2 LEU 21 HB2 LEU 21 -10.209 3.760 -1.661 203 HB3 LEU 21 HB3 LEU 21 -11.448 2.774 -2.414 204 HG LEU 21 HG LEU 21 -12.502 4.822 -3.318 205 HD11 LEU 21 HD11 LEU 21 -10.080 6.202 -2.171 206 HD12 LEU 21 HD12 LEU 21 -11.748 6.414 -1.642 207 HD13 LEU 21 HD13 LEU 21 -11.266 6.931 -3.256 208 HD21 LEU 21 HD21 LEU 21 -10.787 5.277 -5.004 209 HD22 LEU 21 HD22 LEU 21 -10.944 3.553 -4.679 210 HD23 LEU 21 HD23 LEU 21 -9.590 4.456 -4.001 211 H LYS 22 H LYS 22 -13.460 1.800 -1.304 212 HA LYS 22 HA LYS 22 -15.961 3.290 -1.696 213 HB2 LYS 22 HB2 LYS 22 -14.801 1.255 -3.607 214 HB3 LYS 22 HB3 LYS 22 -16.427 1.916 -3.718 215 HG2 LYS 22 HG2 LYS 22 -15.482 4.160 -3.998 216 HG3 LYS 22 HG3 LYS 22 -13.858 3.468 -3.942 217 HD2 LYS 22 HD2 LYS 22 -14.337 2.154 -5.933 218 HD3 LYS 22 HD3 LYS 22 -15.985 2.788 -5.969 219 HE2 LYS 22 HE2 LYS 22 -13.468 4.427 -6.226 220 HE3 LYS 22 HE3 LYS 22 -14.516 3.947 -7.559 221 HZ1 LYS 22 HZ1 LYS 22 -16.305 5.219 -6.600 222 HZ2 LYS 22 HZ2 LYS 22 -14.949 6.218 -6.802 223 HZ3 LYS 22 HZ3 LYS 22 -15.353 5.637 -5.260 224 H LYS 23 H LYS 23 -15.157 1.689 0.535 225 HA LYS 23 HA LYS 23 -17.302 -0.290 0.380 226 HB2 LYS 23 HB2 LYS 23 -14.505 -0.766 1.359 227 HB3 LYS 23 HB3 LYS 23 -15.852 -1.728 1.958 228 HG2 LYS 23 HG2 LYS 23 -16.339 -2.537 -0.230 229 HG3 LYS 23 HG3 LYS 23 -15.178 -1.428 -0.958 230 HD2 LYS 23 HD2 LYS 23 -13.347 -2.590 0.065 231 HD3 LYS 23 HD3 LYS 23 -14.450 -3.600 1.000 232 HE2 LYS 23 HE2 LYS 23 -13.489 -4.755 -0.962 233 HE3 LYS 23 HE3 LYS 23 -15.248 -4.668 -1.004 234 HZ1 LYS 23 HZ1 LYS 23 -15.134 -2.897 -2.590 235 HZ2 LYS 23 HZ2 LYS 23 -14.168 -4.177 -3.149 236 HZ3 LYS 23 HZ3 LYS 23 -13.444 -2.808 -2.462 237 H ALA 24 H ALA 24 -18.751 0.724 1.556 238 HA ALA 24 HA ALA 24 -18.276 0.919 4.405 239 HB1 ALA 24 HB1 ALA 24 -19.191 3.191 4.579 240 HB2 ALA 24 HB2 ALA 24 -19.256 3.302 2.820 241 HB3 ALA 24 HB3 ALA 24 -17.697 3.172 3.638 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 10.109 5.548 2.717 2 H2 LYS 1 H2 LYS 1 11.708 6.111 2.850 3 H3 LYS 1 H3 LYS 1 11.231 4.707 3.667 4 HA LYS 1 HA LYS 1 10.875 3.549 1.607 5 HB2 LYS 1 HB2 LYS 1 11.630 4.623 -0.511 6 HB3 LYS 1 HB3 LYS 1 10.210 5.381 0.189 7 HG2 LYS 1 HG2 LYS 1 11.487 7.236 0.968 8 HG3 LYS 1 HG3 LYS 1 13.003 6.440 0.543 9 HD2 LYS 1 HD2 LYS 1 12.462 8.109 -1.121 10 HD3 LYS 1 HD3 LYS 1 12.337 6.499 -1.830 11 HE2 LYS 1 HE2 LYS 1 10.476 7.828 -2.571 12 HE3 LYS 1 HE3 LYS 1 9.892 6.581 -1.471 13 HZ1 LYS 1 HZ1 LYS 1 8.892 8.770 -1.065 14 HZ2 LYS 1 HZ2 LYS 1 10.425 9.399 -0.693 15 HZ3 LYS 1 HZ3 LYS 1 9.741 8.193 0.286 16 H LYS 2 H LYS 2 12.586 3.117 3.491 17 HA LYS 2 HA LYS 2 15.295 3.670 3.029 18 HB2 LYS 2 HB2 LYS 2 14.264 2.746 5.133 19 HB3 LYS 2 HB3 LYS 2 14.175 1.185 4.330 20 HG2 LYS 2 HG2 LYS 2 16.560 1.073 4.154 21 HG3 LYS 2 HG3 LYS 2 16.725 2.718 4.770 22 HD2 LYS 2 HD2 LYS 2 15.657 1.964 6.890 23 HD3 LYS 2 HD3 LYS 2 15.700 0.311 6.270 24 HE2 LYS 2 HE2 LYS 2 18.125 0.413 6.117 25 HE3 LYS 2 HE3 LYS 2 18.105 2.093 6.648 26 HZ1 LYS 2 HZ1 LYS 2 17.261 -0.262 8.251 27 HZ2 LYS 2 HZ2 LYS 2 17.155 1.350 8.762 28 HZ3 LYS 2 HZ3 LYS 2 18.672 0.653 8.468 29 H LEU 3 H LEU 3 16.331 3.233 1.228 30 HA LEU 3 HA LEU 3 17.157 2.193 -0.603 31 HB2 LEU 3 HB2 LEU 3 16.395 -0.327 0.876 32 HB3 LEU 3 HB3 LEU 3 17.453 -0.250 -0.521 33 HG LEU 3 HG LEU 3 18.013 0.976 2.184 34 HD11 LEU 3 HD11 LEU 3 18.167 -1.454 2.207 35 HD12 LEU 3 HD12 LEU 3 19.766 -0.722 2.335 36 HD13 LEU 3 HD13 LEU 3 19.233 -1.410 0.801 37 HD21 LEU 3 HD21 LEU 3 19.729 0.843 -0.293 38 HD22 LEU 3 HD22 LEU 3 20.227 1.469 1.279 39 HD23 LEU 3 HD23 LEU 3 18.966 2.292 0.360 40 H LYS 4 H LYS 4 14.257 2.806 -0.303 41 HA LYS 4 HA LYS 4 12.269 2.580 -1.345 42 HB2 LYS 4 HB2 LYS 4 14.129 1.580 -3.470 43 HB3 LYS 4 HB3 LYS 4 12.391 1.517 -3.717 44 HG2 LYS 4 HG2 LYS 4 13.170 3.516 -4.716 45 HG3 LYS 4 HG3 LYS 4 12.316 3.970 -3.242 46 HD2 LYS 4 HD2 LYS 4 14.303 5.282 -3.354 47 HD3 LYS 4 HD3 LYS 4 14.542 4.069 -2.094 48 HE2 LYS 4 HE2 LYS 4 16.546 4.221 -3.413 49 HE3 LYS 4 HE3 LYS 4 15.766 2.674 -3.740 50 HZ1 LYS 4 HZ1 LYS 4 15.550 5.094 -5.450 51 HZ2 LYS 4 HZ2 LYS 4 14.869 3.575 -5.781 52 HZ3 LYS 4 HZ3 LYS 4 16.554 3.764 -5.765 53 H LEU 5 H LEU 5 13.599 0.209 0.151 54 HA LEU 5 HA LEU 5 12.067 -2.026 -0.899 55 HB2 LEU 5 HB2 LEU 5 14.350 -2.362 0.031 56 HB3 LEU 5 HB3 LEU 5 13.767 -1.830 1.595 57 HG LEU 5 HG LEU 5 12.231 -3.772 1.661 58 HD11 LEU 5 HD11 LEU 5 12.531 -5.592 0.061 59 HD12 LEU 5 HD12 LEU 5 13.663 -4.603 -0.861 60 HD13 LEU 5 HD13 LEU 5 11.970 -4.123 -0.737 61 HD21 LEU 5 HD21 LEU 5 14.409 -3.897 2.738 62 HD22 LEU 5 HD22 LEU 5 15.137 -4.448 1.228 63 HD23 LEU 5 HD23 LEU 5 13.956 -5.460 2.060 64 H ALA 6 H ALA 6 12.203 -0.015 2.001 65 HA ALA 6 HA ALA 6 9.604 -0.919 2.889 66 HB1 ALA 6 HB1 ALA 6 11.319 -0.285 4.526 67 HB2 ALA 6 HB2 ALA 6 9.880 0.725 4.676 68 HB3 ALA 6 HB3 ALA 6 11.323 1.358 3.883 69 H LEU 7 H LEU 7 9.338 -0.159 0.368 70 HA LEU 7 HA LEU 7 7.574 2.147 0.565 71 HB2 LEU 7 HB2 LEU 7 9.689 3.125 -0.169 72 HB3 LEU 7 HB3 LEU 7 9.802 1.953 -1.468 73 HG LEU 7 HG LEU 7 7.688 2.932 -2.420 74 HD11 LEU 7 HD11 LEU 7 8.218 5.070 -0.366 75 HD12 LEU 7 HD12 LEU 7 6.840 3.970 -0.391 76 HD13 LEU 7 HD13 LEU 7 7.038 5.165 -1.674 77 HD21 LEU 7 HD21 LEU 7 10.035 4.804 -2.137 78 HD22 LEU 7 HD22 LEU 7 8.797 4.873 -3.391 79 HD23 LEU 7 HD23 LEU 7 9.895 3.496 -3.311 80 H ALA 8 H ALA 8 9.018 0.147 -2.003 81 HA ALA 8 HA ALA 8 6.369 -0.281 -3.135 82 HB1 ALA 8 HB1 ALA 8 9.089 -1.023 -4.211 83 HB2 ALA 8 HB2 ALA 8 8.176 0.427 -4.629 84 HB3 ALA 8 HB3 ALA 8 7.557 -1.163 -5.076 85 H LYS 9 H LYS 9 6.795 -1.536 -0.693 86 HA LYS 9 HA LYS 9 7.566 -4.275 -1.150 87 HB2 LYS 9 HB2 LYS 9 8.062 -3.097 0.978 88 HB3 LYS 9 HB3 LYS 9 6.339 -2.992 1.301 89 HG2 LYS 9 HG2 LYS 9 6.193 -5.419 1.401 90 HG3 LYS 9 HG3 LYS 9 7.914 -5.543 1.036 91 HD2 LYS 9 HD2 LYS 9 8.466 -4.382 3.093 92 HD3 LYS 9 HD3 LYS 9 6.753 -4.153 3.448 93 HE2 LYS 9 HE2 LYS 9 7.682 -6.011 4.736 94 HE3 LYS 9 HE3 LYS 9 6.454 -6.571 3.600 95 HZ1 LYS 9 HZ1 LYS 9 8.264 -8.071 3.482 96 HZ2 LYS 9 HZ2 LYS 9 9.402 -6.822 3.347 97 HZ3 LYS 9 HZ3 LYS 9 8.336 -7.137 2.068 98 H LEU 10 H LEU 10 5.886 -4.407 -2.894 99 HA LEU 10 HA LEU 10 4.029 -5.412 -3.704 100 HB2 LEU 10 HB2 LEU 10 3.883 -6.357 -0.858 101 HB3 LEU 10 HB3 LEU 10 2.620 -6.751 -2.004 102 HG LEU 10 HG LEU 10 4.326 -7.862 -3.441 103 HD11 LEU 10 HD11 LEU 10 6.155 -7.426 -1.082 104 HD12 LEU 10 HD12 LEU 10 6.316 -6.667 -2.666 105 HD13 LEU 10 HD13 LEU 10 6.503 -8.413 -2.501 106 HD21 LEU 10 HD21 LEU 10 2.953 -9.160 -1.931 107 HD22 LEU 10 HD22 LEU 10 4.086 -8.869 -0.612 108 HD23 LEU 10 HD23 LEU 10 4.580 -9.835 -2.003 109 H ALA 11 H ALA 11 3.989 -2.689 -2.496 110 HA ALA 11 HA ALA 11 2.572 -0.957 -2.126 111 HB1 ALA 11 HB1 ALA 11 0.681 -2.668 -3.730 112 HB2 ALA 11 HB2 ALA 11 1.903 -1.583 -4.390 113 HB3 ALA 11 HB3 ALA 11 0.549 -0.927 -3.471 114 HA PRO 12 HA PRO 12 0.416 -3.373 1.279 115 HB2 PRO 12 HB2 PRO 12 1.532 -2.052 3.378 116 HB3 PRO 12 HB3 PRO 12 2.270 -3.469 2.623 117 HG2 PRO 12 HG2 PRO 12 2.900 -0.572 2.245 118 HG3 PRO 12 HG3 PRO 12 4.005 -1.951 2.374 119 HD2 PRO 12 HD2 PRO 12 3.347 -0.809 0.001 120 HD3 PRO 12 HD3 PRO 12 3.742 -2.532 0.164 121 H LEU 13 H LEU 13 0.996 0.070 0.871 122 HA LEU 13 HA LEU 13 -1.173 0.861 2.573 123 HB2 LEU 13 HB2 LEU 13 -0.681 3.120 1.915 124 HB3 LEU 13 HB3 LEU 13 0.822 2.286 2.250 125 HG LEU 13 HG LEU 13 -0.223 2.668 -0.556 126 HD11 LEU 13 HD11 LEU 13 0.051 4.854 0.502 127 HD12 LEU 13 HD12 LEU 13 1.273 4.576 -0.738 128 HD13 LEU 13 HD13 LEU 13 1.697 4.425 0.968 129 HD21 LEU 13 HD21 LEU 13 1.463 0.933 -0.294 130 HD22 LEU 13 HD22 LEU 13 2.522 2.066 0.544 131 HD23 LEU 13 HD23 LEU 13 2.129 2.318 -1.157 132 H TRP 14 H TRP 14 -0.868 -0.131 -0.671 133 HA TRP 14 HA TRP 14 -3.067 1.352 -1.741 134 HB2 TRP 14 HB2 TRP 14 -1.187 0.463 -3.126 135 HB3 TRP 14 HB3 TRP 14 -1.789 -1.165 -2.829 136 HD1 TRP 14 HD1 TRP 14 -3.454 2.108 -4.126 137 HE1 TRP 14 HE1 TRP 14 -4.871 1.511 -6.195 138 HE3 TRP 14 HE3 TRP 14 -2.505 -2.913 -4.322 139 HZ2 TRP 14 HZ2 TRP 14 -5.486 -0.795 -7.706 140 HZ3 TRP 14 HZ3 TRP 14 -3.546 -4.241 -6.110 141 HH2 TRP 14 HH2 TRP 14 -5.008 -3.200 -7.766 142 H LYS 15 H LYS 15 -2.635 -1.744 -0.195 143 HA LYS 15 HA LYS 15 -5.081 -2.961 -0.699 144 HB2 LYS 15 HB2 LYS 15 -3.364 -2.951 1.783 145 HB3 LYS 15 HB3 LYS 15 -4.789 -3.966 1.614 146 HG2 LYS 15 HG2 LYS 15 -3.790 -5.126 -0.250 147 HG3 LYS 15 HG3 LYS 15 -2.394 -4.047 -0.208 148 HD2 LYS 15 HD2 LYS 15 -1.914 -6.205 0.860 149 HD3 LYS 15 HD3 LYS 15 -1.797 -4.866 2.001 150 HE2 LYS 15 HE2 LYS 15 -2.933 -6.781 3.004 151 HE3 LYS 15 HE3 LYS 15 -4.022 -5.402 2.865 152 HZ1 LYS 15 HZ1 LYS 15 -3.932 -7.527 0.813 153 HZ2 LYS 15 HZ2 LYS 15 -5.161 -6.391 1.099 154 HZ3 LYS 15 HZ3 LYS 15 -4.911 -7.664 2.189 155 H ALA 16 H ALA 16 -4.242 -0.863 2.054 156 HA ALA 16 HA ALA 16 -7.064 -0.487 2.647 157 HB1 ALA 16 HB1 ALA 16 -4.591 0.522 4.060 158 HB2 ALA 16 HB2 ALA 16 -5.548 -0.891 4.505 159 HB3 ALA 16 HB3 ALA 16 -6.248 0.722 4.631 160 H LEU 17 H LEU 17 -6.183 0.517 0.187 161 HA LEU 17 HA LEU 17 -6.665 3.387 0.625 162 HB2 LEU 17 HB2 LEU 17 -4.418 3.006 -0.272 163 HB3 LEU 17 HB3 LEU 17 -5.092 2.076 -1.595 164 HG LEU 17 HG LEU 17 -6.239 4.114 -2.412 165 HD11 LEU 17 HD11 LEU 17 -4.685 5.471 -0.213 166 HD12 LEU 17 HD12 LEU 17 -6.440 5.318 -0.313 167 HD13 LEU 17 HD13 LEU 17 -5.570 6.290 -1.499 168 HD21 LEU 17 HD21 LEU 17 -3.258 4.355 -2.046 169 HD22 LEU 17 HD22 LEU 17 -4.220 5.240 -3.229 170 HD23 LEU 17 HD23 LEU 17 -4.088 3.484 -3.335 171 H ALA 18 H ALA 18 -6.971 0.778 -1.782 172 HA ALA 18 HA ALA 18 -9.232 2.187 -2.959 173 HB1 ALA 18 HB1 ALA 18 -7.810 -0.300 -3.902 174 HB2 ALA 18 HB2 ALA 18 -7.476 1.344 -4.445 175 HB3 ALA 18 HB3 ALA 18 -9.036 0.600 -4.794 176 H LEU 19 H LEU 19 -8.820 -0.039 -0.551 177 HA LEU 19 HA LEU 19 -11.200 -1.583 -1.201 178 HB2 LEU 19 HB2 LEU 19 -9.269 -2.724 -0.210 179 HB3 LEU 19 HB3 LEU 19 -9.370 -1.685 1.198 180 HG LEU 19 HG LEU 19 -11.612 -2.640 1.694 181 HD11 LEU 19 HD11 LEU 19 -12.299 -4.689 0.565 182 HD12 LEU 19 HD12 LEU 19 -10.927 -4.553 -0.534 183 HD13 LEU 19 HD13 LEU 19 -12.207 -3.340 -0.568 184 HD21 LEU 19 HD21 LEU 19 -10.784 -4.769 2.531 185 HD22 LEU 19 HD22 LEU 19 -9.597 -3.491 2.786 186 HD23 LEU 19 HD23 LEU 19 -9.377 -4.651 1.475 187 H LYS 20 H LYS 20 -10.075 0.518 1.447 188 HA LYS 20 HA LYS 20 -12.775 0.472 2.547 189 HB2 LYS 20 HB2 LYS 20 -10.180 1.502 3.692 190 HB3 LYS 20 HB3 LYS 20 -11.728 1.577 4.524 191 HG2 LYS 20 HG2 LYS 20 -10.319 -0.941 3.647 192 HG3 LYS 20 HG3 LYS 20 -10.404 -0.312 5.294 193 HD2 LYS 20 HD2 LYS 20 -12.800 -0.598 5.326 194 HD3 LYS 20 HD3 LYS 20 -12.797 -1.089 3.632 195 HE2 LYS 20 HE2 LYS 20 -12.996 -3.032 5.047 196 HE3 LYS 20 HE3 LYS 20 -11.438 -3.051 4.229 197 HZ1 LYS 20 HZ1 LYS 20 -10.373 -2.296 6.231 198 HZ2 LYS 20 HZ2 LYS 20 -11.304 -3.669 6.586 199 HZ3 LYS 20 HZ3 LYS 20 -11.867 -2.129 7.018 200 H LEU 21 H LEU 21 -11.155 2.369 0.408 201 HA LEU 21 HA LEU 21 -12.620 4.779 1.202 202 HB2 LEU 21 HB2 LEU 21 -10.210 4.959 0.539 203 HB3 LEU 21 HB3 LEU 21 -10.658 4.424 -1.068 204 HG LEU 21 HG LEU 21 -12.081 6.441 -1.311 205 HD11 LEU 21 HD11 LEU 21 -11.812 8.271 0.299 206 HD12 LEU 21 HD12 LEU 21 -10.864 7.207 1.338 207 HD13 LEU 21 HD13 LEU 21 -12.564 6.854 1.030 208 HD21 LEU 21 HD21 LEU 21 -10.246 8.016 -1.597 209 HD22 LEU 21 HD22 LEU 21 -9.775 6.407 -2.147 210 HD23 LEU 21 HD23 LEU 21 -9.207 7.009 -0.589 211 H LYS 22 H LYS 22 -13.397 2.072 -0.161 212 HA LYS 22 HA LYS 22 -15.175 3.320 -2.149 213 HB2 LYS 22 HB2 LYS 22 -13.469 1.872 -3.224 214 HB3 LYS 22 HB3 LYS 22 -14.033 0.518 -2.254 215 HG2 LYS 22 HG2 LYS 22 -16.225 0.667 -3.325 216 HG3 LYS 22 HG3 LYS 22 -15.655 2.022 -4.297 217 HD2 LYS 22 HD2 LYS 22 -14.317 -0.671 -4.335 218 HD3 LYS 22 HD3 LYS 22 -15.666 -0.275 -5.396 219 HE2 LYS 22 HE2 LYS 22 -13.692 0.096 -6.645 220 HE3 LYS 22 HE3 LYS 22 -14.309 1.685 -6.207 221 HZ1 LYS 22 HZ1 LYS 22 -11.875 1.419 -5.947 222 HZ2 LYS 22 HZ2 LYS 22 -12.153 0.282 -4.728 223 HZ3 LYS 22 HZ3 LYS 22 -12.655 1.888 -4.520 224 H LYS 23 H LYS 23 -14.766 0.420 -0.129 225 HA LYS 23 HA LYS 23 -17.516 0.768 0.797 226 HB2 LYS 23 HB2 LYS 23 -16.275 -1.861 -0.039 227 HB3 LYS 23 HB3 LYS 23 -17.816 -1.697 0.788 228 HG2 LYS 23 HG2 LYS 23 -18.647 -0.371 -1.140 229 HG3 LYS 23 HG3 LYS 23 -17.131 -0.722 -1.974 230 HD2 LYS 23 HD2 LYS 23 -18.845 -2.277 -2.687 231 HD3 LYS 23 HD3 LYS 23 -17.607 -3.135 -1.766 232 HE2 LYS 23 HE2 LYS 23 -19.044 -3.033 0.226 233 HE3 LYS 23 HE3 LYS 23 -20.280 -2.202 -0.716 234 HZ1 LYS 23 HZ1 LYS 23 -20.359 -4.178 -2.176 235 HZ2 LYS 23 HZ2 LYS 23 -20.831 -4.501 -0.580 236 HZ3 LYS 23 HZ3 LYS 23 -19.299 -4.975 -1.117 237 H ALA 24 H ALA 24 -17.854 -0.822 2.734 238 HA ALA 24 HA ALA 24 -15.494 -1.380 4.278 239 HB1 ALA 24 HB1 ALA 24 -17.430 0.707 5.276 240 HB2 ALA 24 HB2 ALA 24 -15.780 1.009 4.732 241 HB3 ALA 24 HB3 ALA 24 -16.068 0.037 6.175 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 5.923 0.733 -16.843 2 H2 LYS 1 H2 LYS 1 4.303 1.177 -16.659 3 H3 LYS 1 H3 LYS 1 4.711 -0.442 -16.959 4 HA LYS 1 HA LYS 1 5.779 -0.646 -14.849 5 HB2 LYS 1 HB2 LYS 1 4.941 2.225 -14.379 6 HB3 LYS 1 HB3 LYS 1 5.795 1.189 -13.247 7 HG2 LYS 1 HG2 LYS 1 7.709 1.106 -14.771 8 HG3 LYS 1 HG3 LYS 1 6.855 2.172 -15.888 9 HD2 LYS 1 HD2 LYS 1 8.374 3.515 -14.625 10 HD3 LYS 1 HD3 LYS 1 6.744 3.869 -14.040 11 HE2 LYS 1 HE2 LYS 1 7.082 2.411 -12.138 12 HE3 LYS 1 HE3 LYS 1 8.673 1.949 -12.745 13 HZ1 LYS 1 HZ1 LYS 1 9.324 4.316 -12.543 14 HZ2 LYS 1 HZ2 LYS 1 8.953 3.580 -11.061 15 HZ3 LYS 1 HZ3 LYS 1 7.837 4.630 -11.784 16 H LYS 2 H LYS 2 2.821 1.130 -15.624 17 HA LYS 2 HA LYS 2 1.480 0.105 -13.258 18 HB2 LYS 2 HB2 LYS 2 0.452 1.878 -15.484 19 HB3 LYS 2 HB3 LYS 2 -0.423 1.483 -14.011 20 HG2 LYS 2 HG2 LYS 2 1.319 2.605 -12.691 21 HG3 LYS 2 HG3 LYS 2 2.165 3.016 -14.183 22 HD2 LYS 2 HD2 LYS 2 -0.634 3.892 -13.463 23 HD3 LYS 2 HD3 LYS 2 0.814 4.892 -13.338 24 HE2 LYS 2 HE2 LYS 2 1.159 4.679 -15.757 25 HE3 LYS 2 HE3 LYS 2 -0.298 3.694 -15.872 26 HZ1 LYS 2 HZ1 LYS 2 -0.212 6.512 -14.930 27 HZ2 LYS 2 HZ2 LYS 2 -1.606 5.558 -15.112 28 HZ3 LYS 2 HZ3 LYS 2 -0.705 6.009 -16.473 29 H LEU 3 H LEU 3 2.125 -2.069 -14.674 30 HA LEU 3 HA LEU 3 -0.484 -2.883 -15.784 31 HB2 LEU 3 HB2 LEU 3 2.267 -3.881 -16.516 32 HB3 LEU 3 HB3 LEU 3 0.779 -4.656 -17.028 33 HG LEU 3 HG LEU 3 1.697 -1.878 -17.780 34 HD11 LEU 3 HD11 LEU 3 1.384 -4.395 -19.416 35 HD12 LEU 3 HD12 LEU 3 2.912 -3.682 -18.900 36 HD13 LEU 3 HD13 LEU 3 1.871 -2.813 -20.025 37 HD21 LEU 3 HD21 LEU 3 -0.799 -3.382 -18.573 38 HD22 LEU 3 HD22 LEU 3 -0.269 -1.836 -19.237 39 HD23 LEU 3 HD23 LEU 3 -0.727 -1.955 -17.539 40 H LYS 4 H LYS 4 2.443 -4.504 -14.545 41 HA LYS 4 HA LYS 4 0.684 -5.921 -12.666 42 HB2 LYS 4 HB2 LYS 4 2.305 -7.876 -12.915 43 HB3 LYS 4 HB3 LYS 4 1.188 -7.576 -14.236 44 HG2 LYS 4 HG2 LYS 4 3.112 -6.262 -15.306 45 HG3 LYS 4 HG3 LYS 4 4.135 -7.077 -14.122 46 HD2 LYS 4 HD2 LYS 4 3.432 -9.245 -14.940 47 HD3 LYS 4 HD3 LYS 4 2.291 -8.488 -16.051 48 HE2 LYS 4 HE2 LYS 4 4.111 -9.019 -17.402 49 HE3 LYS 4 HE3 LYS 4 4.346 -7.311 -17.044 50 HZ1 LYS 4 HZ1 LYS 4 5.734 -9.617 -15.797 51 HZ2 LYS 4 HZ2 LYS 4 5.867 -8.027 -15.231 52 HZ3 LYS 4 HZ3 LYS 4 6.415 -8.421 -16.790 53 H LEU 5 H LEU 5 3.378 -3.932 -13.016 54 HA LEU 5 HA LEU 5 4.596 -4.701 -10.519 55 HB2 LEU 5 HB2 LEU 5 4.960 -2.293 -12.291 56 HB3 LEU 5 HB3 LEU 5 5.829 -2.517 -10.785 57 HG LEU 5 HG LEU 5 5.999 -4.311 -13.206 58 HD11 LEU 5 HD11 LEU 5 7.120 -2.158 -13.506 59 HD12 LEU 5 HD12 LEU 5 8.283 -3.477 -13.378 60 HD13 LEU 5 HD13 LEU 5 8.005 -2.408 -12.002 61 HD21 LEU 5 HD21 LEU 5 6.225 -5.550 -11.113 62 HD22 LEU 5 HD22 LEU 5 7.475 -4.424 -10.584 63 HD23 LEU 5 HD23 LEU 5 7.758 -5.463 -11.981 64 H ALA 6 H ALA 6 2.459 -2.123 -11.651 65 HA ALA 6 HA ALA 6 2.209 -0.975 -9.019 66 HB1 ALA 6 HB1 ALA 6 0.638 -0.425 -11.535 67 HB2 ALA 6 HB2 ALA 6 2.098 0.423 -11.025 68 HB3 ALA 6 HB3 ALA 6 0.625 0.550 -10.063 69 H LEU 7 H LEU 7 1.562 -3.699 -9.049 70 HA LEU 7 HA LEU 7 -1.175 -3.559 -8.052 71 HB2 LEU 7 HB2 LEU 7 -0.984 -4.428 -10.515 72 HB3 LEU 7 HB3 LEU 7 -0.371 -5.887 -9.765 73 HG LEU 7 HG LEU 7 -3.070 -4.693 -9.123 74 HD11 LEU 7 HD11 LEU 7 -2.364 -6.911 -11.034 75 HD12 LEU 7 HD12 LEU 7 -2.991 -5.320 -11.465 76 HD13 LEU 7 HD13 LEU 7 -3.997 -6.448 -10.555 77 HD21 LEU 7 HD21 LEU 7 -3.544 -6.878 -8.171 78 HD22 LEU 7 HD22 LEU 7 -2.130 -6.165 -7.392 79 HD23 LEU 7 HD23 LEU 7 -1.927 -7.436 -8.598 80 H ALA 8 H ALA 8 -0.229 -3.672 -6.025 81 HA ALA 8 HA ALA 8 0.197 -4.754 -4.081 82 HB1 ALA 8 HB1 ALA 8 -1.152 -6.612 -4.891 83 HB2 ALA 8 HB2 ALA 8 0.235 -7.197 -3.972 84 HB3 ALA 8 HB3 ALA 8 0.247 -7.276 -5.734 85 H LYS 9 H LYS 9 2.217 -5.493 -6.832 86 HA LYS 9 HA LYS 9 4.443 -6.419 -5.326 87 HB2 LYS 9 HB2 LYS 9 4.422 -5.280 -8.125 88 HB3 LYS 9 HB3 LYS 9 5.686 -6.272 -7.411 89 HG2 LYS 9 HG2 LYS 9 2.857 -7.155 -7.973 90 HG3 LYS 9 HG3 LYS 9 4.281 -7.561 -8.933 91 HD2 LYS 9 HD2 LYS 9 5.237 -8.773 -7.072 92 HD3 LYS 9 HD3 LYS 9 3.906 -8.283 -6.025 93 HE2 LYS 9 HE2 LYS 9 3.553 -10.554 -6.756 94 HE3 LYS 9 HE3 LYS 9 2.342 -9.506 -7.493 95 HZ1 LYS 9 HZ1 LYS 9 4.803 -10.521 -8.816 96 HZ2 LYS 9 HZ2 LYS 9 3.660 -9.493 -9.532 97 HZ3 LYS 9 HZ3 LYS 9 3.224 -11.069 -9.095 98 H LEU 10 H LEU 10 4.233 -3.446 -7.291 99 HA LEU 10 HA LEU 10 6.045 -2.161 -5.365 100 HB2 LEU 10 HB2 LEU 10 5.428 -1.523 -8.249 101 HB3 LEU 10 HB3 LEU 10 6.391 -0.487 -7.215 102 HG LEU 10 HG LEU 10 7.086 -3.315 -8.013 103 HD11 LEU 10 HD11 LEU 10 8.273 -0.662 -8.816 104 HD12 LEU 10 HD12 LEU 10 7.327 -1.737 -9.846 105 HD13 LEU 10 HD13 LEU 10 8.910 -2.246 -9.255 106 HD21 LEU 10 HD21 LEU 10 9.227 -2.863 -6.904 107 HD22 LEU 10 HD22 LEU 10 7.878 -2.812 -5.769 108 HD23 LEU 10 HD23 LEU 10 8.604 -1.311 -6.345 109 H ALA 11 H ALA 11 2.989 -2.508 -5.409 110 HA ALA 11 HA ALA 11 2.439 0.207 -4.518 111 HB1 ALA 11 HB1 ALA 11 1.776 0.244 -6.868 112 HB2 ALA 11 HB2 ALA 11 0.370 0.382 -5.811 113 HB3 ALA 11 HB3 ALA 11 0.732 -1.153 -6.602 114 HA PRO 12 HA PRO 12 0.364 -3.100 -2.001 115 HB2 PRO 12 HB2 PRO 12 2.110 -2.714 0.204 116 HB3 PRO 12 HB3 PRO 12 2.079 -4.084 -0.905 117 HG2 PRO 12 HG2 PRO 12 4.149 -2.232 -0.676 118 HG3 PRO 12 HG3 PRO 12 3.901 -3.343 -2.033 119 HD2 PRO 12 HD2 PRO 12 3.186 -0.457 -1.788 120 HD3 PRO 12 HD3 PRO 12 3.770 -1.361 -3.202 121 H LEU 13 H LEU 13 0.427 0.039 -2.171 122 HA LEU 13 HA LEU 13 -0.374 0.770 0.511 123 HB2 LEU 13 HB2 LEU 13 -0.410 2.390 -2.034 124 HB3 LEU 13 HB3 LEU 13 -0.659 3.017 -0.416 125 HG LEU 13 HG LEU 13 1.904 1.790 -1.439 126 HD11 LEU 13 HD11 LEU 13 1.193 4.661 -0.847 127 HD12 LEU 13 HD12 LEU 13 1.422 3.958 -2.448 128 HD13 LEU 13 HD13 LEU 13 2.781 4.061 -1.327 129 HD21 LEU 13 HD21 LEU 13 2.861 2.599 0.667 130 HD22 LEU 13 HD22 LEU 13 1.592 1.406 0.947 131 HD23 LEU 13 HD23 LEU 13 1.260 3.121 1.193 132 H TRP 14 H TRP 14 -1.859 0.171 -2.610 133 HA TRP 14 HA TRP 14 -4.327 1.403 -2.147 134 HB2 TRP 14 HB2 TRP 14 -3.631 -0.897 -3.982 135 HB3 TRP 14 HB3 TRP 14 -5.146 -0.003 -4.028 136 HD1 TRP 14 HD1 TRP 14 -1.758 -0.001 -5.481 137 HE1 TRP 14 HE1 TRP 14 -1.339 2.174 -6.795 138 HE3 TRP 14 HE3 TRP 14 -5.730 2.736 -3.801 139 HZ2 TRP 14 HZ2 TRP 14 -2.532 4.714 -7.078 140 HZ3 TRP 14 HZ3 TRP 14 -6.018 5.032 -4.640 141 HH2 TRP 14 HH2 TRP 14 -4.452 5.997 -6.243 142 H LYS 15 H LYS 15 -3.112 -1.676 -1.092 143 HA LYS 15 HA LYS 15 -5.606 -2.980 -0.748 144 HB2 LYS 15 HB2 LYS 15 -4.383 -4.606 0.593 145 HB3 LYS 15 HB3 LYS 15 -3.507 -4.225 -0.882 146 HG2 LYS 15 HG2 LYS 15 -1.969 -2.833 0.322 147 HG3 LYS 15 HG3 LYS 15 -2.901 -3.025 1.810 148 HD2 LYS 15 HD2 LYS 15 -2.411 -5.412 1.819 149 HD3 LYS 15 HD3 LYS 15 -1.521 -5.249 0.304 150 HE2 LYS 15 HE2 LYS 15 0.102 -3.812 1.390 151 HE3 LYS 15 HE3 LYS 15 -0.808 -3.885 2.900 152 HZ1 LYS 15 HZ1 LYS 15 1.093 -5.411 2.874 153 HZ2 LYS 15 HZ2 LYS 15 0.428 -6.218 1.541 154 HZ3 LYS 15 HZ3 LYS 15 -0.383 -6.235 3.033 155 H ALA 16 H ALA 16 -4.206 -0.423 0.947 156 HA ALA 16 HA ALA 16 -6.327 -0.689 2.944 157 HB1 ALA 16 HB1 ALA 16 -4.297 -1.471 4.053 158 HB2 ALA 16 HB2 ALA 16 -4.839 0.060 4.741 159 HB3 ALA 16 HB3 ALA 16 -3.472 0.029 3.626 160 H LEU 17 H LEU 17 -5.654 0.883 0.464 161 HA LEU 17 HA LEU 17 -6.163 3.546 1.613 162 HB2 LEU 17 HB2 LEU 17 -3.950 3.430 0.545 163 HB3 LEU 17 HB3 LEU 17 -4.695 2.886 -0.944 164 HG LEU 17 HG LEU 17 -5.883 5.051 -1.115 165 HD11 LEU 17 HD11 LEU 17 -5.174 6.910 0.305 166 HD12 LEU 17 HD12 LEU 17 -4.195 5.803 1.269 167 HD13 LEU 17 HD13 LEU 17 -5.952 5.636 1.245 168 HD21 LEU 17 HD21 LEU 17 -2.886 5.249 -0.857 169 HD22 LEU 17 HD22 LEU 17 -3.925 6.375 -1.731 170 HD23 LEU 17 HD23 LEU 17 -3.775 4.706 -2.281 171 H ALA 18 H ALA 18 -6.801 1.264 -0.987 172 HA ALA 18 HA ALA 18 -9.135 2.864 -1.779 173 HB1 ALA 18 HB1 ALA 18 -9.091 1.662 -3.885 174 HB2 ALA 18 HB2 ALA 18 -7.768 0.650 -3.308 175 HB3 ALA 18 HB3 ALA 18 -7.510 2.375 -3.563 176 H LEU 19 H LEU 19 -8.194 0.019 -0.147 177 HA LEU 19 HA LEU 19 -10.231 -1.770 -0.828 178 HB2 LEU 19 HB2 LEU 19 -8.226 -2.382 0.459 179 HB3 LEU 19 HB3 LEU 19 -8.825 -1.460 1.825 180 HG LEU 19 HG LEU 19 -10.773 -2.991 1.953 181 HD11 LEU 19 HD11 LEU 19 -9.274 -4.543 -0.152 182 HD12 LEU 19 HD12 LEU 19 -10.827 -3.735 -0.359 183 HD13 LEU 19 HD13 LEU 19 -10.689 -5.113 0.733 184 HD21 LEU 19 HD21 LEU 19 -8.066 -4.306 2.115 185 HD22 LEU 19 HD22 LEU 19 -9.536 -4.875 2.906 186 HD23 LEU 19 HD23 LEU 19 -8.825 -3.329 3.371 187 H LYS 20 H LYS 20 -10.081 0.508 1.899 188 HA LYS 20 HA LYS 20 -12.954 0.134 2.312 189 HB2 LYS 20 HB2 LYS 20 -11.254 -0.024 4.224 190 HB3 LYS 20 HB3 LYS 20 -11.088 1.720 4.079 191 HG2 LYS 20 HG2 LYS 20 -13.433 2.018 4.593 192 HG3 LYS 20 HG3 LYS 20 -13.665 0.269 4.648 193 HD2 LYS 20 HD2 LYS 20 -12.105 0.126 6.529 194 HD3 LYS 20 HD3 LYS 20 -11.878 1.876 6.473 195 HE2 LYS 20 HE2 LYS 20 -14.245 2.202 6.964 196 HE3 LYS 20 HE3 LYS 20 -14.485 0.456 7.001 197 HZ1 LYS 20 HZ1 LYS 20 -14.241 1.464 9.220 198 HZ2 LYS 20 HZ2 LYS 20 -12.660 1.935 8.817 199 HZ3 LYS 20 HZ3 LYS 20 -13.062 0.290 8.898 200 H LEU 21 H LEU 21 -11.522 1.720 0.161 201 HA LEU 21 HA LEU 21 -12.690 4.364 0.637 202 HB2 LEU 21 HB2 LEU 21 -10.409 4.283 -0.279 203 HB3 LEU 21 HB3 LEU 21 -10.978 3.327 -1.634 204 HG LEU 21 HG LEU 21 -12.378 5.251 -2.350 205 HD11 LEU 21 HD11 LEU 21 -11.912 7.458 -1.385 206 HD12 LEU 21 HD12 LEU 21 -10.915 6.695 -0.146 207 HD13 LEU 21 HD13 LEU 21 -12.644 6.360 -0.216 208 HD21 LEU 21 HD21 LEU 21 -9.431 5.827 -2.069 209 HD22 LEU 21 HD22 LEU 21 -10.531 6.573 -3.229 210 HD23 LEU 21 HD23 LEU 21 -10.180 4.848 -3.331 211 H LYS 22 H LYS 22 -12.925 1.506 -1.365 212 HA LYS 22 HA LYS 22 -15.224 2.546 -2.817 213 HB2 LYS 22 HB2 LYS 22 -13.885 -0.166 -2.932 214 HB3 LYS 22 HB3 LYS 22 -15.123 0.415 -4.038 215 HG2 LYS 22 HG2 LYS 22 -13.636 2.067 -4.927 216 HG3 LYS 22 HG3 LYS 22 -12.420 1.699 -3.700 217 HD2 LYS 22 HD2 LYS 22 -12.215 -0.576 -4.608 218 HD3 LYS 22 HD3 LYS 22 -13.394 -0.176 -5.858 219 HE2 LYS 22 HE2 LYS 22 -10.777 1.267 -5.462 220 HE3 LYS 22 HE3 LYS 22 -11.020 -0.049 -6.609 221 HZ1 LYS 22 HZ1 LYS 22 -12.695 1.282 -7.732 222 HZ2 LYS 22 HZ2 LYS 22 -11.213 2.106 -7.675 223 HZ3 LYS 22 HZ3 LYS 22 -12.468 2.550 -6.627 224 H LYS 23 H LYS 23 -15.218 2.037 0.110 225 HA LYS 23 HA LYS 23 -17.535 0.285 0.240 226 HB2 LYS 23 HB2 LYS 23 -15.572 -1.118 0.747 227 HB3 LYS 23 HB3 LYS 23 -15.107 0.000 2.019 228 HG2 LYS 23 HG2 LYS 23 -17.143 -0.524 3.248 229 HG3 LYS 23 HG3 LYS 23 -17.643 -1.622 1.961 230 HD2 LYS 23 HD2 LYS 23 -15.631 -2.980 2.365 231 HD3 LYS 23 HD3 LYS 23 -15.186 -1.899 3.688 232 HE2 LYS 23 HE2 LYS 23 -16.287 -3.915 4.523 233 HE3 LYS 23 HE3 LYS 23 -17.245 -2.474 4.863 234 HZ1 LYS 23 HZ1 LYS 23 -18.582 -4.340 4.043 235 HZ2 LYS 23 HZ2 LYS 23 -17.715 -4.324 2.585 236 HZ3 LYS 23 HZ3 LYS 23 -18.675 -2.992 3.016 237 H ALA 24 H ALA 24 -19.008 0.872 1.771 238 HA ALA 24 HA ALA 24 -18.282 2.872 3.774 239 HB1 ALA 24 HB1 ALA 24 -20.239 4.250 3.242 240 HB2 ALA 24 HB2 ALA 24 -20.589 3.212 1.859 241 HB3 ALA 24 HB3 ALA 24 -19.112 4.176 1.888 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 16.994 -7.834 -0.409 2 H2 LYS 1 H2 LYS 1 15.989 -6.715 0.369 3 H3 LYS 1 H3 LYS 1 16.900 -6.240 -0.979 4 HA LYS 1 HA LYS 1 14.610 -6.541 -1.600 5 HB2 LYS 1 HB2 LYS 1 16.477 -7.135 -3.164 6 HB3 LYS 1 HB3 LYS 1 16.329 -8.804 -2.638 7 HG2 LYS 1 HG2 LYS 1 14.196 -9.031 -3.623 8 HG3 LYS 1 HG3 LYS 1 14.050 -7.290 -3.877 9 HD2 LYS 1 HD2 LYS 1 15.927 -7.383 -5.466 10 HD3 LYS 1 HD3 LYS 1 16.027 -9.127 -5.228 11 HE2 LYS 1 HE2 LYS 1 13.488 -7.811 -6.134 12 HE3 LYS 1 HE3 LYS 1 14.754 -8.251 -7.279 13 HZ1 LYS 1 HZ1 LYS 1 14.543 -10.518 -6.704 14 HZ2 LYS 1 HZ2 LYS 1 12.970 -9.947 -6.968 15 HZ3 LYS 1 HZ3 LYS 1 13.533 -10.183 -5.384 16 H LYS 2 H LYS 2 15.796 -8.852 0.585 17 HA LYS 2 HA LYS 2 13.512 -10.623 0.258 18 HB2 LYS 2 HB2 LYS 2 15.757 -10.726 2.273 19 HB3 LYS 2 HB3 LYS 2 14.554 -11.975 2.002 20 HG2 LYS 2 HG2 LYS 2 15.417 -12.297 -0.270 21 HG3 LYS 2 HG3 LYS 2 16.648 -11.071 0.040 22 HD2 LYS 2 HD2 LYS 2 17.443 -12.458 1.952 23 HD3 LYS 2 HD3 LYS 2 16.313 -13.715 1.451 24 HE2 LYS 2 HE2 LYS 2 18.514 -14.210 0.593 25 HE3 LYS 2 HE3 LYS 2 17.435 -13.803 -0.742 26 HZ1 LYS 2 HZ1 LYS 2 18.386 -11.629 -0.874 27 HZ2 LYS 2 HZ2 LYS 2 19.655 -12.756 -0.898 28 HZ3 LYS 2 HZ3 LYS 2 19.320 -11.883 0.519 29 H LEU 3 H LEU 3 14.963 -9.112 3.169 30 HA LEU 3 HA LEU 3 12.417 -9.486 4.497 31 HB2 LEU 3 HB2 LEU 3 15.118 -8.611 5.482 32 HB3 LEU 3 HB3 LEU 3 13.700 -8.609 6.509 33 HG LEU 3 HG LEU 3 13.490 -11.103 5.907 34 HD11 LEU 3 HD11 LEU 3 15.579 -12.211 5.328 35 HD12 LEU 3 HD12 LEU 3 16.358 -10.641 5.130 36 HD13 LEU 3 HD13 LEU 3 15.047 -11.118 4.050 37 HD21 LEU 3 HD21 LEU 3 15.798 -10.134 7.585 38 HD22 LEU 3 HD22 LEU 3 15.047 -11.728 7.682 39 HD23 LEU 3 HD23 LEU 3 14.121 -10.289 8.109 40 H LYS 4 H LYS 4 12.627 -7.407 2.450 41 HA LYS 4 HA LYS 4 11.275 -5.400 4.100 42 HB2 LYS 4 HB2 LYS 4 13.403 -4.868 2.067 43 HB3 LYS 4 HB3 LYS 4 12.070 -3.734 2.196 44 HG2 LYS 4 HG2 LYS 4 13.702 -2.817 3.556 45 HG3 LYS 4 HG3 LYS 4 12.646 -3.649 4.695 46 HD2 LYS 4 HD2 LYS 4 14.215 -5.579 4.638 47 HD3 LYS 4 HD3 LYS 4 15.293 -4.617 3.628 48 HE2 LYS 4 HE2 LYS 4 14.411 -3.971 6.438 49 HE3 LYS 4 HE3 LYS 4 16.008 -4.526 5.940 50 HZ1 LYS 4 HZ1 LYS 4 16.145 -2.481 4.549 51 HZ2 LYS 4 HZ2 LYS 4 16.120 -2.193 6.217 52 HZ3 LYS 4 HZ3 LYS 4 14.722 -1.932 5.293 53 H LEU 5 H LEU 5 11.926 -6.353 0.741 54 HA LEU 5 HA LEU 5 9.476 -5.487 -0.320 55 HB2 LEU 5 HB2 LEU 5 11.420 -5.955 -1.715 56 HB3 LEU 5 HB3 LEU 5 11.356 -7.650 -1.274 57 HG LEU 5 HG LEU 5 9.156 -7.825 -2.419 58 HD11 LEU 5 HD11 LEU 5 8.454 -5.506 -2.248 59 HD12 LEU 5 HD12 LEU 5 8.472 -6.025 -3.933 60 HD13 LEU 5 HD13 LEU 5 9.773 -5.010 -3.308 61 HD21 LEU 5 HD21 LEU 5 11.257 -8.426 -3.541 62 HD22 LEU 5 HD22 LEU 5 11.395 -6.774 -4.143 63 HD23 LEU 5 HD23 LEU 5 10.059 -7.797 -4.670 64 H ALA 6 H ALA 6 10.509 -8.614 0.973 65 HA ALA 6 HA ALA 6 7.941 -9.822 0.447 66 HB1 ALA 6 HB1 ALA 6 8.859 -11.787 1.592 67 HB2 ALA 6 HB2 ALA 6 10.280 -10.852 2.053 68 HB3 ALA 6 HB3 ALA 6 9.956 -11.183 0.352 69 H LEU 7 H LEU 7 8.550 -7.465 2.459 70 HA LEU 7 HA LEU 7 6.883 -8.595 4.613 71 HB2 LEU 7 HB2 LEU 7 8.862 -6.322 4.744 72 HB3 LEU 7 HB3 LEU 7 7.747 -6.725 6.034 73 HG LEU 7 HG LEU 7 10.041 -8.395 5.013 74 HD11 LEU 7 HD11 LEU 7 10.824 -8.188 7.321 75 HD12 LEU 7 HD12 LEU 7 9.428 -7.179 7.702 76 HD13 LEU 7 HD13 LEU 7 10.639 -6.610 6.555 77 HD21 LEU 7 HD21 LEU 7 9.378 -10.083 6.635 78 HD22 LEU 7 HD22 LEU 7 8.100 -9.830 5.447 79 HD23 LEU 7 HD23 LEU 7 7.953 -9.135 7.061 80 H ALA 8 H ALA 8 7.574 -5.504 2.959 81 HA ALA 8 HA ALA 8 5.039 -4.356 3.495 82 HB1 ALA 8 HB1 ALA 8 5.598 -2.760 1.723 83 HB2 ALA 8 HB2 ALA 8 6.946 -3.782 1.224 84 HB3 ALA 8 HB3 ALA 8 6.968 -3.005 2.807 85 H LYS 9 H LYS 9 6.343 -5.951 0.588 86 HA LYS 9 HA LYS 9 5.439 -7.479 -0.801 87 HB2 LYS 9 HB2 LYS 9 4.698 -8.436 1.414 88 HB3 LYS 9 HB3 LYS 9 3.142 -7.668 1.141 89 HG2 LYS 9 HG2 LYS 9 2.711 -9.034 -0.757 90 HG3 LYS 9 HG3 LYS 9 4.367 -9.652 -0.760 91 HD2 LYS 9 HD2 LYS 9 3.965 -10.670 1.444 92 HD3 LYS 9 HD3 LYS 9 2.301 -10.090 1.395 93 HE2 LYS 9 HE2 LYS 9 3.512 -11.948 -0.639 94 HE3 LYS 9 HE3 LYS 9 2.594 -12.486 0.764 95 HZ1 LYS 9 HZ1 LYS 9 0.799 -10.901 -0.183 96 HZ2 LYS 9 HZ2 LYS 9 1.005 -12.436 -0.865 97 HZ3 LYS 9 HZ3 LYS 9 1.649 -11.079 -1.642 98 H LEU 10 H LEU 10 5.206 -5.493 -2.096 99 HA LEU 10 HA LEU 10 4.132 -4.559 -3.851 100 HB2 LEU 10 HB2 LEU 10 1.771 -6.234 -3.007 101 HB3 LEU 10 HB3 LEU 10 1.877 -5.317 -4.497 102 HG LEU 10 HG LEU 10 3.644 -7.644 -3.739 103 HD11 LEU 10 HD11 LEU 10 1.372 -8.328 -4.248 104 HD12 LEU 10 HD12 LEU 10 2.481 -8.822 -5.525 105 HD13 LEU 10 HD13 LEU 10 1.427 -7.427 -5.765 106 HD21 LEU 10 HD21 LEU 10 4.475 -7.488 -6.033 107 HD22 LEU 10 HD22 LEU 10 4.832 -6.025 -5.114 108 HD23 LEU 10 HD23 LEU 10 3.512 -6.033 -6.284 109 H ALA 11 H ALA 11 4.050 -3.572 -1.052 110 HA ALA 11 HA ALA 11 3.476 -1.611 -0.076 111 HB1 ALA 11 HB1 ALA 11 2.513 0.179 -1.411 112 HB2 ALA 11 HB2 ALA 11 2.135 -0.969 -2.697 113 HB3 ALA 11 HB3 ALA 11 3.814 -0.631 -2.279 114 HA PRO 12 HA PRO 12 -0.583 -3.049 1.362 115 HB2 PRO 12 HB2 PRO 12 -0.246 -2.146 3.904 116 HB3 PRO 12 HB3 PRO 12 0.413 -3.685 3.335 117 HG2 PRO 12 HG2 PRO 12 1.779 -1.040 3.655 118 HG3 PRO 12 HG3 PRO 12 2.365 -2.660 4.074 119 HD2 PRO 12 HD2 PRO 12 3.129 -1.370 1.822 120 HD3 PRO 12 HD3 PRO 12 2.977 -3.136 1.903 121 H LEU 13 H LEU 13 0.889 0.068 1.337 122 HA LEU 13 HA LEU 13 -1.105 1.653 2.501 123 HB2 LEU 13 HB2 LEU 13 0.826 2.362 0.286 124 HB3 LEU 13 HB3 LEU 13 -0.096 3.515 1.233 125 HG LEU 13 HG LEU 13 2.001 1.649 2.350 126 HD11 LEU 13 HD11 LEU 13 2.951 3.375 0.878 127 HD12 LEU 13 HD12 LEU 13 3.395 3.616 2.568 128 HD13 LEU 13 HD13 LEU 13 2.142 4.617 1.837 129 HD21 LEU 13 HD21 LEU 13 0.264 2.229 3.965 130 HD22 LEU 13 HD22 LEU 13 0.507 3.941 3.617 131 HD23 LEU 13 HD23 LEU 13 1.797 3.004 4.370 132 H TRP 14 H TRP 14 -0.673 0.508 -0.793 133 HA TRP 14 HA TRP 14 -2.811 2.033 -1.899 134 HB2 TRP 14 HB2 TRP 14 -0.945 1.235 -3.276 135 HB3 TRP 14 HB3 TRP 14 -1.394 -0.431 -2.943 136 HD1 TRP 14 HD1 TRP 14 -2.928 -1.540 -4.674 137 HE1 TRP 14 HE1 TRP 14 -4.362 -0.716 -6.648 138 HE3 TRP 14 HE3 TRP 14 -2.456 3.506 -3.977 139 HZ2 TRP 14 HZ2 TRP 14 -5.195 1.740 -7.751 140 HZ3 TRP 14 HZ3 TRP 14 -3.611 5.022 -5.535 141 HH2 TRP 14 HH2 TRP 14 -4.949 4.156 -7.382 142 H LYS 15 H LYS 15 -2.444 -1.292 -0.795 143 HA LYS 15 HA LYS 15 -4.895 -2.275 -1.736 144 HB2 LYS 15 HB2 LYS 15 -3.354 -3.237 0.676 145 HB3 LYS 15 HB3 LYS 15 -4.502 -4.164 -0.278 146 HG2 LYS 15 HG2 LYS 15 -1.890 -3.083 -1.308 147 HG3 LYS 15 HG3 LYS 15 -2.152 -4.736 -0.750 148 HD2 LYS 15 HD2 LYS 15 -3.834 -5.055 -2.500 149 HD3 LYS 15 HD3 LYS 15 -3.575 -3.397 -3.048 150 HE2 LYS 15 HE2 LYS 15 -2.377 -5.062 -4.420 151 HE3 LYS 15 HE3 LYS 15 -1.297 -3.904 -3.645 152 HZ1 LYS 15 HZ1 LYS 15 -1.877 -6.599 -2.542 153 HZ2 LYS 15 HZ2 LYS 15 -0.686 -5.513 -2.022 154 HZ3 LYS 15 HZ3 LYS 15 -0.548 -6.258 -3.534 155 H ALA 16 H ALA 16 -3.995 -1.024 1.469 156 HA ALA 16 HA ALA 16 -6.465 -1.754 2.669 157 HB1 ALA 16 HB1 ALA 16 -5.686 -0.498 4.608 158 HB2 ALA 16 HB2 ALA 16 -4.387 0.204 3.643 159 HB3 ALA 16 HB3 ALA 16 -4.409 -1.530 3.962 160 H LEU 17 H LEU 17 -5.328 1.175 1.119 161 HA LEU 17 HA LEU 17 -7.602 2.690 2.084 162 HB2 LEU 17 HB2 LEU 17 -5.193 3.357 0.434 163 HB3 LEU 17 HB3 LEU 17 -6.572 4.437 0.439 164 HG LEU 17 HG LEU 17 -4.902 5.209 2.014 165 HD11 LEU 17 HD11 LEU 17 -6.271 5.376 4.010 166 HD12 LEU 17 HD12 LEU 17 -7.284 4.049 3.446 167 HD13 LEU 17 HD13 LEU 17 -7.253 5.574 2.560 168 HD21 LEU 17 HD21 LEU 17 -5.232 2.539 3.372 169 HD22 LEU 17 HD22 LEU 17 -4.300 3.904 3.991 170 HD23 LEU 17 HD23 LEU 17 -3.804 3.098 2.502 171 H ALA 18 H ALA 18 -6.814 0.697 -0.553 172 HA ALA 18 HA ALA 18 -8.735 1.842 -2.365 173 HB1 ALA 18 HB1 ALA 18 -8.238 -0.070 -3.798 174 HB2 ALA 18 HB2 ALA 18 -7.317 -0.818 -2.495 175 HB3 ALA 18 HB3 ALA 18 -6.751 0.684 -3.222 176 H LEU 19 H LEU 19 -8.534 -0.973 -0.219 177 HA LEU 19 HA LEU 19 -11.050 -2.071 -0.913 178 HB2 LEU 19 HB2 LEU 19 -9.417 -2.359 1.610 179 HB3 LEU 19 HB3 LEU 19 -10.836 -3.319 1.234 180 HG LEU 19 HG LEU 19 -8.272 -3.287 -0.363 181 HD11 LEU 19 HD11 LEU 19 -7.997 -5.572 0.475 182 HD12 LEU 19 HD12 LEU 19 -9.427 -5.366 1.487 183 HD13 LEU 19 HD13 LEU 19 -7.990 -4.386 1.781 184 HD21 LEU 19 HD21 LEU 19 -9.255 -5.151 -1.590 185 HD22 LEU 19 HD22 LEU 19 -10.237 -3.696 -1.757 186 HD23 LEU 19 HD23 LEU 19 -10.748 -4.983 -0.664 187 H LYS 20 H LYS 20 -10.099 0.475 1.248 188 HA LYS 20 HA LYS 20 -12.886 0.717 2.136 189 HB2 LYS 20 HB2 LYS 20 -10.327 1.643 3.403 190 HB3 LYS 20 HB3 LYS 20 -11.886 2.312 3.871 191 HG2 LYS 20 HG2 LYS 20 -12.602 -0.116 4.245 192 HG3 LYS 20 HG3 LYS 20 -10.878 -0.488 4.191 193 HD2 LYS 20 HD2 LYS 20 -10.438 0.924 6.059 194 HD3 LYS 20 HD3 LYS 20 -12.075 1.583 6.012 195 HE2 LYS 20 HE2 LYS 20 -11.315 -1.264 6.664 196 HE3 LYS 20 HE3 LYS 20 -11.851 -0.039 7.812 197 HZ1 LYS 20 HZ1 LYS 20 -13.448 -1.254 5.618 198 HZ2 LYS 20 HZ2 LYS 20 -13.972 0.069 6.543 199 HZ3 LYS 20 HZ3 LYS 20 -13.694 -1.430 7.289 200 H LEU 21 H LEU 21 -11.622 1.644 -0.422 201 HA LEU 21 HA LEU 21 -11.921 4.527 -0.241 202 HB2 LEU 21 HB2 LEU 21 -10.264 3.529 -1.772 203 HB3 LEU 21 HB3 LEU 21 -11.558 2.732 -2.645 204 HG LEU 21 HG LEU 21 -12.462 4.957 -3.273 205 HD11 LEU 21 HD11 LEU 21 -9.918 6.000 -2.038 206 HD12 LEU 21 HD12 LEU 21 -11.545 6.241 -1.402 207 HD13 LEU 21 HD13 LEU 21 -11.094 6.939 -2.958 208 HD21 LEU 21 HD21 LEU 21 -9.587 4.465 -4.033 209 HD22 LEU 21 HD22 LEU 21 -10.733 5.468 -4.921 210 HD23 LEU 21 HD23 LEU 21 -11.002 3.730 -4.787 211 H LYS 22 H LYS 22 -13.605 1.767 -1.653 212 HA LYS 22 HA LYS 22 -15.924 3.477 -2.205 213 HB2 LYS 22 HB2 LYS 22 -16.681 1.423 -3.546 214 HB3 LYS 22 HB3 LYS 22 -15.343 2.371 -4.182 215 HG2 LYS 22 HG2 LYS 22 -13.772 0.725 -3.216 216 HG3 LYS 22 HG3 LYS 22 -15.152 -0.246 -2.702 217 HD2 LYS 22 HD2 LYS 22 -15.827 -0.626 -4.953 218 HD3 LYS 22 HD3 LYS 22 -14.677 0.567 -5.560 219 HE2 LYS 22 HE2 LYS 22 -13.830 -1.653 -5.975 220 HE3 LYS 22 HE3 LYS 22 -12.826 -0.854 -4.769 221 HZ1 LYS 22 HZ1 LYS 22 -13.993 -2.090 -3.040 222 HZ2 LYS 22 HZ2 LYS 22 -13.271 -3.137 -4.163 223 HZ3 LYS 22 HZ3 LYS 22 -14.944 -2.864 -4.216 224 H LYS 23 H LYS 23 -14.897 1.877 0.306 225 HA LYS 23 HA LYS 23 -17.539 1.526 1.351 226 HB2 LYS 23 HB2 LYS 23 -17.238 -0.677 0.312 227 HB3 LYS 23 HB3 LYS 23 -15.731 -0.897 1.198 228 HG2 LYS 23 HG2 LYS 23 -16.918 -0.888 3.297 229 HG3 LYS 23 HG3 LYS 23 -18.436 -0.548 2.466 230 HD2 LYS 23 HD2 LYS 23 -18.213 -2.700 1.268 231 HD3 LYS 23 HD3 LYS 23 -16.762 -3.041 2.216 232 HE2 LYS 23 HE2 LYS 23 -18.791 -4.131 3.128 233 HE3 LYS 23 HE3 LYS 23 -18.033 -3.016 4.261 234 HZ1 LYS 23 HZ1 LYS 23 -20.489 -2.832 4.145 235 HZ2 LYS 23 HZ2 LYS 23 -20.350 -2.301 2.540 236 HZ3 LYS 23 HZ3 LYS 23 -19.686 -1.378 3.804 237 H ALA 24 H ALA 24 -17.409 2.497 3.239 238 HA ALA 24 HA ALA 24 -14.857 2.685 4.614 239 HB1 ALA 24 HB1 ALA 24 -16.230 4.698 4.371 240 HB2 ALA 24 HB2 ALA 24 -15.973 4.290 6.068 241 HB3 ALA 24 HB3 ALA 24 -17.518 3.930 5.300
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