NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
531549 | 2l99 | 17441 | 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 14.507 20.568 -10.343 2 H2 LYS 1 H2 LYS 1 14.729 20.795 -12.006 3 H3 LYS 1 H3 LYS 1 15.104 19.300 -11.299 4 HA LYS 1 HA LYS 1 12.412 20.513 -11.558 5 HB2 LYS 1 HB2 LYS 1 13.622 18.029 -12.802 6 HB3 LYS 1 HB3 LYS 1 11.949 18.538 -12.974 7 HG2 LYS 1 HG2 LYS 1 14.364 20.049 -13.957 8 HG3 LYS 1 HG3 LYS 1 13.261 19.099 -14.952 9 HD2 LYS 1 HD2 LYS 1 11.418 20.605 -14.285 10 HD3 LYS 1 HD3 LYS 1 12.576 21.574 -13.369 11 HE2 LYS 1 HE2 LYS 1 13.840 21.963 -15.463 12 HE3 LYS 1 HE3 LYS 1 12.591 21.085 -16.344 13 HZ1 LYS 1 HZ1 LYS 1 12.175 23.419 -16.519 14 HZ2 LYS 1 HZ2 LYS 1 12.257 23.620 -14.837 15 HZ3 LYS 1 HZ3 LYS 1 10.977 22.748 -15.524 16 H LYS 2 H LYS 2 11.848 20.324 -9.401 17 HA LYS 2 HA LYS 2 12.060 17.663 -8.212 18 HB2 LYS 2 HB2 LYS 2 11.545 18.780 -6.074 19 HB3 LYS 2 HB3 LYS 2 12.979 19.427 -6.853 20 HG2 LYS 2 HG2 LYS 2 11.559 21.306 -7.709 21 HG3 LYS 2 HG3 LYS 2 10.252 20.695 -6.692 22 HD2 LYS 2 HD2 LYS 2 11.891 20.855 -4.753 23 HD3 LYS 2 HD3 LYS 2 12.927 21.782 -5.839 24 HE2 LYS 2 HE2 LYS 2 11.677 23.364 -4.597 25 HE3 LYS 2 HE3 LYS 2 10.963 23.319 -6.209 26 HZ1 LYS 2 HZ1 LYS 2 9.363 21.626 -5.183 27 HZ2 LYS 2 HZ2 LYS 2 9.143 23.260 -4.795 28 HZ3 LYS 2 HZ3 LYS 2 9.891 22.216 -3.686 29 H LEU 3 H LEU 3 10.422 16.375 -8.389 30 HA LEU 3 HA LEU 3 7.811 17.380 -9.104 31 HB2 LEU 3 HB2 LEU 3 8.948 14.598 -8.860 32 HB3 LEU 3 HB3 LEU 3 7.247 14.890 -9.158 33 HG LEU 3 HG LEU 3 7.955 16.178 -11.231 34 HD11 LEU 3 HD11 LEU 3 10.296 16.530 -10.642 35 HD12 LEU 3 HD12 LEU 3 10.137 15.655 -12.168 36 HD13 LEU 3 HD13 LEU 3 10.574 14.786 -10.694 37 HD21 LEU 3 HD21 LEU 3 8.272 14.120 -12.538 38 HD22 LEU 3 HD22 LEU 3 6.974 13.971 -11.353 39 HD23 LEU 3 HD23 LEU 3 8.545 13.228 -11.042 40 H LYS 4 H LYS 4 7.239 18.444 -7.202 41 HA LYS 4 HA LYS 4 7.235 17.225 -4.652 42 HB2 LYS 4 HB2 LYS 4 5.682 19.155 -4.075 43 HB3 LYS 4 HB3 LYS 4 7.284 19.564 -4.675 44 HG2 LYS 4 HG2 LYS 4 6.322 19.947 -6.911 45 HG3 LYS 4 HG3 LYS 4 4.720 19.605 -6.254 46 HD2 LYS 4 HD2 LYS 4 4.859 21.497 -4.782 47 HD3 LYS 4 HD3 LYS 4 6.539 21.785 -5.238 48 HE2 LYS 4 HE2 LYS 4 5.082 23.355 -6.375 49 HE3 LYS 4 HE3 LYS 4 5.817 22.254 -7.539 50 HZ1 LYS 4 HZ1 LYS 4 3.067 21.998 -6.444 51 HZ2 LYS 4 HZ2 LYS 4 3.775 20.991 -7.614 52 HZ3 LYS 4 HZ3 LYS 4 3.459 22.617 -7.974 53 H LEU 5 H LEU 5 5.211 16.674 -7.277 54 HA LEU 5 HA LEU 5 2.819 16.142 -5.785 55 HB2 LEU 5 HB2 LEU 5 1.915 15.206 -7.832 56 HB3 LEU 5 HB3 LEU 5 2.651 16.765 -8.132 57 HG LEU 5 HG LEU 5 4.151 14.220 -8.692 58 HD11 LEU 5 HD11 LEU 5 2.232 15.646 -10.533 59 HD12 LEU 5 HD12 LEU 5 2.045 14.019 -9.879 60 HD13 LEU 5 HD13 LEU 5 3.348 14.370 -11.014 61 HD21 LEU 5 HD21 LEU 5 4.291 17.006 -9.843 62 HD22 LEU 5 HD22 LEU 5 5.296 15.642 -10.328 63 HD23 LEU 5 HD23 LEU 5 5.427 16.297 -8.696 64 H ALA 6 H ALA 6 5.684 14.636 -5.802 65 HA ALA 6 HA ALA 6 4.945 11.891 -5.969 66 HB1 ALA 6 HB1 ALA 6 7.249 12.617 -6.292 67 HB2 ALA 6 HB2 ALA 6 7.141 11.464 -4.962 68 HB3 ALA 6 HB3 ALA 6 7.316 13.186 -4.624 69 H LEU 7 H LEU 7 4.614 14.303 -3.552 70 HA LEU 7 HA LEU 7 4.140 12.302 -1.468 71 HB2 LEU 7 HB2 LEU 7 4.255 15.317 -1.312 72 HB3 LEU 7 HB3 LEU 7 4.003 14.247 0.055 73 HG LEU 7 HG LEU 7 6.496 14.350 -1.651 74 HD11 LEU 7 HD11 LEU 7 6.239 16.327 -0.244 75 HD12 LEU 7 HD12 LEU 7 7.546 15.298 0.342 76 HD13 LEU 7 HD13 LEU 7 5.987 15.299 1.167 77 HD21 LEU 7 HD21 LEU 7 7.446 12.843 0.013 78 HD22 LEU 7 HD22 LEU 7 6.043 12.111 -0.765 79 HD23 LEU 7 HD23 LEU 7 5.897 12.782 0.856 80 H ALA 8 H ALA 8 2.412 13.337 -3.905 81 HA ALA 8 HA ALA 8 -0.026 13.906 -2.367 82 HB1 ALA 8 HB1 ALA 8 0.509 14.347 -5.302 83 HB2 ALA 8 HB2 ALA 8 0.592 15.583 -4.047 84 HB3 ALA 8 HB3 ALA 8 -0.951 14.817 -4.424 85 H LYS 9 H LYS 9 1.079 11.986 -5.177 86 HA LYS 9 HA LYS 9 -1.361 10.402 -4.965 87 HB2 LYS 9 HB2 LYS 9 0.733 10.594 -7.119 88 HB3 LYS 9 HB3 LYS 9 -0.529 9.369 -7.138 89 HG2 LYS 9 HG2 LYS 9 -0.992 12.345 -7.104 90 HG3 LYS 9 HG3 LYS 9 -1.098 11.302 -8.524 91 HD2 LYS 9 HD2 LYS 9 -2.897 10.032 -7.438 92 HD3 LYS 9 HD3 LYS 9 -2.793 11.092 -6.035 93 HE2 LYS 9 HE2 LYS 9 -3.481 11.969 -8.835 94 HE3 LYS 9 HE3 LYS 9 -4.650 11.679 -7.547 95 HZ1 LYS 9 HZ1 LYS 9 -2.530 13.762 -7.588 96 HZ2 LYS 9 HZ2 LYS 9 -3.516 13.428 -6.246 97 HZ3 LYS 9 HZ3 LYS 9 -4.208 14.006 -7.684 98 HA PRO 10 HA PRO 10 1.985 6.872 -4.681 99 HB2 PRO 10 HB2 PRO 10 4.356 8.384 -3.744 100 HB3 PRO 10 HB3 PRO 10 4.253 7.053 -4.901 101 HG2 PRO 10 HG2 PRO 10 4.705 9.545 -5.731 102 HG3 PRO 10 HG3 PRO 10 3.656 8.453 -6.657 103 HD2 PRO 10 HD2 PRO 10 2.901 10.675 -4.789 104 HD3 PRO 10 HD3 PRO 10 2.205 10.247 -6.367 105 H ALA 11 H ALA 11 2.087 9.656 -2.543 106 HA ALA 11 HA ALA 11 2.501 8.111 -0.160 107 HB1 ALA 11 HB1 ALA 11 3.292 10.414 -0.286 108 HB2 ALA 11 HB2 ALA 11 2.132 10.219 1.030 109 HB3 ALA 11 HB3 ALA 11 1.634 10.980 -0.481 110 H LEU 12 H LEU 12 -0.093 8.523 -2.175 111 HA LEU 12 HA LEU 12 -2.002 7.960 -0.000 112 HB2 LEU 12 HB2 LEU 12 -2.398 10.048 -1.346 113 HB3 LEU 12 HB3 LEU 12 -2.638 9.029 -2.750 114 HG LEU 12 HG LEU 12 -4.558 7.955 -1.609 115 HD11 LEU 12 HD11 LEU 12 -3.910 8.340 0.696 116 HD12 LEU 12 HD12 LEU 12 -5.502 9.026 0.382 117 HD13 LEU 12 HD13 LEU 12 -4.091 10.080 0.479 118 HD21 LEU 12 HD21 LEU 12 -6.088 9.848 -1.856 119 HD22 LEU 12 HD22 LEU 12 -4.919 9.774 -3.174 120 HD23 LEU 12 HD23 LEU 12 -4.712 10.952 -1.877 121 H LEU 13 H LEU 13 -0.145 6.478 -2.054 122 HA LEU 13 HA LEU 13 -1.977 4.231 -2.437 123 HB2 LEU 13 HB2 LEU 13 -1.893 5.437 -4.581 124 HB3 LEU 13 HB3 LEU 13 -0.143 5.346 -4.570 125 HG LEU 13 HG LEU 13 -0.304 2.869 -4.705 126 HD11 LEU 13 HD11 LEU 13 -2.445 1.858 -5.324 127 HD12 LEU 13 HD12 LEU 13 -3.247 3.410 -5.084 128 HD13 LEU 13 HD13 LEU 13 -2.507 2.583 -3.715 129 HD21 LEU 13 HD21 LEU 13 0.036 4.209 -6.710 130 HD22 LEU 13 HD22 LEU 13 -1.709 4.392 -6.901 131 HD23 LEU 13 HD23 LEU 13 -0.964 2.799 -7.056 132 H TRP 14 H TRP 14 -0.926 3.217 -0.709 133 HA TRP 14 HA TRP 14 1.938 3.239 -0.545 134 HB2 TRP 14 HB2 TRP 14 -0.096 1.759 1.132 135 HB3 TRP 14 HB3 TRP 14 1.612 1.958 1.522 136 HD1 TRP 14 HD1 TRP 14 2.412 4.427 2.302 137 HE1 TRP 14 HE1 TRP 14 1.095 6.412 3.286 138 HE3 TRP 14 HE3 TRP 14 -2.329 2.951 1.062 139 HZ2 TRP 14 HZ2 TRP 14 -1.583 7.228 3.507 140 HZ3 TRP 14 HZ3 TRP 14 -4.209 4.401 1.698 141 HH2 TRP 14 HH2 TRP 14 -3.842 6.494 2.895 142 H LYS 15 H LYS 15 -0.287 1.418 -2.211 143 HA LYS 15 HA LYS 15 0.773 -1.160 -2.051 144 HB2 LYS 15 HB2 LYS 15 -0.613 0.216 -4.355 145 HB3 LYS 15 HB3 LYS 15 -0.254 -1.503 -4.304 146 HG2 LYS 15 HG2 LYS 15 -2.059 -0.006 -2.420 147 HG3 LYS 15 HG3 LYS 15 -2.561 -1.100 -3.710 148 HD2 LYS 15 HD2 LYS 15 -1.262 -2.907 -2.550 149 HD3 LYS 15 HD3 LYS 15 -1.034 -1.789 -1.204 150 HE2 LYS 15 HE2 LYS 15 -3.659 -2.808 -2.279 151 HE3 LYS 15 HE3 LYS 15 -2.900 -3.262 -0.756 152 HZ1 LYS 15 HZ1 LYS 15 -3.909 -0.558 -1.469 153 HZ2 LYS 15 HZ2 LYS 15 -3.126 -0.953 -0.018 154 HZ3 LYS 15 HZ3 LYS 15 -4.630 -1.648 -0.389 155 H ALA 16 H ALA 16 1.583 1.585 -4.115 156 HA ALA 16 HA ALA 16 3.808 0.085 -5.284 157 HB1 ALA 16 HB1 ALA 16 2.364 1.313 -6.823 158 HB2 ALA 16 HB2 ALA 16 4.004 1.967 -6.839 159 HB3 ALA 16 HB3 ALA 16 2.722 2.817 -5.973 160 H LEU 17 H LEU 17 3.388 1.657 -2.523 161 HA LEU 17 HA LEU 17 5.896 3.183 -2.653 162 HB2 LEU 17 HB2 LEU 17 3.888 4.423 -1.922 163 HB3 LEU 17 HB3 LEU 17 3.688 3.296 -0.595 164 HG LEU 17 HG LEU 17 5.871 4.029 0.326 165 HD11 LEU 17 HD11 LEU 17 6.915 6.055 -0.551 166 HD12 LEU 17 HD12 LEU 17 5.752 6.089 -1.876 167 HD13 LEU 17 HD13 LEU 17 6.908 4.765 -1.753 168 HD21 LEU 17 HD21 LEU 17 5.097 6.207 1.123 169 HD22 LEU 17 HD22 LEU 17 3.793 5.019 1.131 170 HD23 LEU 17 HD23 LEU 17 3.870 6.238 -0.141 171 H ALA 18 H ALA 18 4.096 0.865 -0.646 172 HA ALA 18 HA ALA 18 6.210 0.389 1.172 173 HB1 ALA 18 HB1 ALA 18 3.866 -0.122 1.694 174 HB2 ALA 18 HB2 ALA 18 4.907 -1.530 1.911 175 HB3 ALA 18 HB3 ALA 18 3.885 -1.401 0.480 176 H LEU 19 H LEU 19 5.139 -1.235 -1.774 177 HA LEU 19 HA LEU 19 7.162 -3.248 -1.681 178 HB2 LEU 19 HB2 LEU 19 5.242 -2.321 -3.797 179 HB3 LEU 19 HB3 LEU 19 6.514 -3.461 -4.187 180 HG LEU 19 HG LEU 19 5.593 -5.004 -2.453 181 HD11 LEU 19 HD11 LEU 19 3.337 -3.010 -2.356 182 HD12 LEU 19 HD12 LEU 19 4.459 -3.380 -1.044 183 HD13 LEU 19 HD13 LEU 19 3.331 -4.610 -1.614 184 HD21 LEU 19 HD21 LEU 19 3.699 -4.153 -4.634 185 HD22 LEU 19 HD22 LEU 19 3.642 -5.690 -3.774 186 HD23 LEU 19 HD23 LEU 19 5.027 -5.301 -4.792 187 H LYS 20 H LYS 20 7.124 0.035 -2.579 188 HA LYS 20 HA LYS 20 9.423 -0.094 -4.313 189 HB2 LYS 20 HB2 LYS 20 7.699 1.718 -4.455 190 HB3 LYS 20 HB3 LYS 20 8.255 2.310 -2.898 191 HG2 LYS 20 HG2 LYS 20 10.418 2.830 -3.804 192 HG3 LYS 20 HG3 LYS 20 9.992 2.082 -5.344 193 HD2 LYS 20 HD2 LYS 20 8.724 4.535 -4.129 194 HD3 LYS 20 HD3 LYS 20 9.831 4.502 -5.501 195 HE2 LYS 20 HE2 LYS 20 7.073 3.288 -5.382 196 HE3 LYS 20 HE3 LYS 20 7.544 4.734 -6.272 197 HZ1 LYS 20 HZ1 LYS 20 8.576 1.993 -6.797 198 HZ2 LYS 20 HZ2 LYS 20 8.955 3.388 -7.683 199 HZ3 LYS 20 HZ3 LYS 20 7.373 2.780 -7.699 200 H LEU 21 H LEU 21 8.711 0.550 -0.940 201 HA LEU 21 HA LEU 21 11.355 1.149 -0.119 202 HB2 LEU 21 HB2 LEU 21 9.077 -0.079 1.443 203 HB3 LEU 21 HB3 LEU 21 10.532 0.603 2.142 204 HG LEU 21 HG LEU 21 8.507 2.176 0.543 205 HD11 LEU 21 HD11 LEU 21 7.846 3.136 2.694 206 HD12 LEU 21 HD12 LEU 21 8.930 2.021 3.524 207 HD13 LEU 21 HD13 LEU 21 7.539 1.401 2.638 208 HD21 LEU 21 HD21 LEU 21 10.774 3.087 0.458 209 HD22 LEU 21 HD22 LEU 21 10.857 3.057 2.219 210 HD23 LEU 21 HD23 LEU 21 9.707 4.120 1.408 211 H LYS 22 H LYS 22 9.585 -1.785 -0.721 212 HA LYS 22 HA LYS 22 11.687 -3.529 0.207 213 HB2 LYS 22 HB2 LYS 22 9.312 -4.244 0.198 214 HB3 LYS 22 HB3 LYS 22 9.287 -4.108 -1.553 215 HG2 LYS 22 HG2 LYS 22 9.506 -6.426 -0.823 216 HG3 LYS 22 HG3 LYS 22 10.918 -5.900 -1.741 217 HD2 LYS 22 HD2 LYS 22 11.649 -7.177 0.158 218 HD3 LYS 22 HD3 LYS 22 12.094 -5.487 0.401 219 HE2 LYS 22 HE2 LYS 22 10.048 -5.219 1.795 220 HE3 LYS 22 HE3 LYS 22 9.764 -6.952 1.638 221 HZ1 LYS 22 HZ1 LYS 22 12.111 -5.649 2.909 222 HZ2 LYS 22 HZ2 LYS 22 11.964 -7.319 2.661 223 HZ3 LYS 22 HZ3 LYS 22 10.882 -6.520 3.696 224 H LYS 23 H LYS 23 13.238 -2.169 -1.047 225 HA LYS 23 HA LYS 23 13.200 -2.518 -3.921 226 HB2 LYS 23 HB2 LYS 23 13.631 -0.299 -3.088 227 HB3 LYS 23 HB3 LYS 23 14.937 -0.885 -2.072 228 HG2 LYS 23 HG2 LYS 23 16.252 -1.416 -4.061 229 HG3 LYS 23 HG3 LYS 23 14.937 -0.826 -5.084 230 HD2 LYS 23 HD2 LYS 23 15.265 1.379 -4.459 231 HD3 LYS 23 HD3 LYS 23 16.059 0.937 -2.948 232 HE2 LYS 23 HE2 LYS 23 17.218 0.624 -5.714 233 HE3 LYS 23 HE3 LYS 23 17.643 1.878 -4.550 234 HZ1 LYS 23 HZ1 LYS 23 18.199 -1.023 -4.407 235 HZ2 LYS 23 HZ2 LYS 23 18.248 -0.048 -3.020 236 HZ3 LYS 23 HZ3 LYS 23 19.297 0.267 -4.320 237 H ALA 24 H ALA 24 16.131 -2.389 -1.988 238 HA ALA 24 HA ALA 24 16.883 -5.065 -2.013 239 HB1 ALA 24 HB1 ALA 24 18.022 -3.562 -4.379 240 HB2 ALA 24 HB2 ALA 24 16.823 -4.851 -4.478 241 HB3 ALA 24 HB3 ALA 24 18.444 -5.197 -3.874 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -14.077 4.448 6.234 2 H2 LYS 1 H2 LYS 1 -14.924 5.099 4.918 3 H3 LYS 1 H3 LYS 1 -14.497 6.091 6.228 4 HA LYS 1 HA LYS 1 -13.078 6.489 4.341 5 HB2 LYS 1 HB2 LYS 1 -11.831 5.207 6.766 6 HB3 LYS 1 HB3 LYS 1 -10.860 5.954 5.508 7 HG2 LYS 1 HG2 LYS 1 -12.999 7.374 7.083 8 HG3 LYS 1 HG3 LYS 1 -11.273 7.426 7.450 9 HD2 LYS 1 HD2 LYS 1 -10.879 8.340 5.171 10 HD3 LYS 1 HD3 LYS 1 -12.625 8.401 4.938 11 HE2 LYS 1 HE2 LYS 1 -11.117 9.836 7.118 12 HE3 LYS 1 HE3 LYS 1 -11.658 10.575 5.613 13 HZ1 LYS 1 HZ1 LYS 1 -13.204 11.069 7.355 14 HZ2 LYS 1 HZ2 LYS 1 -13.382 9.433 7.747 15 HZ3 LYS 1 HZ3 LYS 1 -13.957 10.012 6.259 16 H LYS 2 H LYS 2 -11.628 3.542 5.642 17 HA LYS 2 HA LYS 2 -10.577 1.822 4.608 18 HB2 LYS 2 HB2 LYS 2 -13.183 1.965 3.125 19 HB3 LYS 2 HB3 LYS 2 -11.995 0.718 2.769 20 HG2 LYS 2 HG2 LYS 2 -13.269 1.218 5.451 21 HG3 LYS 2 HG3 LYS 2 -13.691 -0.077 4.326 22 HD2 LYS 2 HD2 LYS 2 -11.435 -0.987 4.507 23 HD3 LYS 2 HD3 LYS 2 -10.984 0.321 5.602 24 HE2 LYS 2 HE2 LYS 2 -12.684 -0.458 7.200 25 HE3 LYS 2 HE3 LYS 2 -13.087 -1.785 6.111 26 HZ1 LYS 2 HZ1 LYS 2 -10.850 -2.645 6.356 27 HZ2 LYS 2 HZ2 LYS 2 -11.571 -2.472 7.882 28 HZ3 LYS 2 HZ3 LYS 2 -10.426 -1.345 7.356 29 H LEU 3 H LEU 3 -8.954 3.401 3.907 30 HA LEU 3 HA LEU 3 -7.384 4.002 2.393 31 HB2 LEU 3 HB2 LEU 3 -8.874 1.970 0.763 32 HB3 LEU 3 HB3 LEU 3 -7.567 2.895 0.057 33 HG LEU 3 HG LEU 3 -6.075 2.009 1.886 34 HD11 LEU 3 HD11 LEU 3 -8.384 0.129 2.347 35 HD12 LEU 3 HD12 LEU 3 -7.832 1.367 3.472 36 HD13 LEU 3 HD13 LEU 3 -6.781 0.008 3.070 37 HD21 LEU 3 HD21 LEU 3 -5.814 -0.186 0.819 38 HD22 LEU 3 HD22 LEU 3 -6.013 1.108 -0.362 39 HD23 LEU 3 HD23 LEU 3 -7.364 0.036 0.010 40 H LYS 4 H LYS 4 -9.790 5.570 2.691 41 HA LYS 4 HA LYS 4 -10.307 6.707 0.082 42 HB2 LYS 4 HB2 LYS 4 -12.127 6.744 1.658 43 HB3 LYS 4 HB3 LYS 4 -11.130 7.526 2.874 44 HG2 LYS 4 HG2 LYS 4 -12.682 9.106 1.907 45 HG3 LYS 4 HG3 LYS 4 -11.025 9.543 1.494 46 HD2 LYS 4 HD2 LYS 4 -12.431 9.831 -0.443 47 HD3 LYS 4 HD3 LYS 4 -11.336 8.477 -0.716 48 HE2 LYS 4 HE2 LYS 4 -13.101 6.901 -0.202 49 HE3 LYS 4 HE3 LYS 4 -14.201 8.223 0.190 50 HZ1 LYS 4 HZ1 LYS 4 -12.962 7.834 -2.482 51 HZ2 LYS 4 HZ2 LYS 4 -14.175 8.947 -2.070 52 HZ3 LYS 4 HZ3 LYS 4 -14.513 7.284 -2.066 53 H LEU 5 H LEU 5 -8.768 7.792 3.100 54 HA LEU 5 HA LEU 5 -7.255 9.764 1.512 55 HB2 LEU 5 HB2 LEU 5 -7.859 9.746 4.472 56 HB3 LEU 5 HB3 LEU 5 -6.899 10.958 3.642 57 HG LEU 5 HG LEU 5 -9.847 10.429 3.218 58 HD11 LEU 5 HD11 LEU 5 -9.338 11.561 5.327 59 HD12 LEU 5 HD12 LEU 5 -10.155 12.636 4.191 60 HD13 LEU 5 HD13 LEU 5 -8.416 12.780 4.445 61 HD21 LEU 5 HD21 LEU 5 -8.742 11.106 1.138 62 HD22 LEU 5 HD22 LEU 5 -8.057 12.507 1.961 63 HD23 LEU 5 HD23 LEU 5 -9.802 12.375 1.750 64 H ALA 6 H ALA 6 -6.980 6.782 2.602 65 HA ALA 6 HA ALA 6 -4.504 6.732 3.947 66 HB1 ALA 6 HB1 ALA 6 -4.432 4.368 3.336 67 HB2 ALA 6 HB2 ALA 6 -5.770 4.616 2.213 68 HB3 ALA 6 HB3 ALA 6 -6.021 4.827 3.946 69 H LEU 7 H LEU 7 -5.393 6.865 0.573 70 HA LEU 7 HA LEU 7 -2.695 6.388 -0.351 71 HB2 LEU 7 HB2 LEU 7 -5.289 7.004 -1.744 72 HB3 LEU 7 HB3 LEU 7 -3.764 6.998 -2.607 73 HG LEU 7 HG LEU 7 -3.454 4.606 -1.869 74 HD11 LEU 7 HD11 LEU 7 -5.431 3.370 -1.157 75 HD12 LEU 7 HD12 LEU 7 -6.343 4.877 -1.057 76 HD13 LEU 7 HD13 LEU 7 -4.978 4.598 0.025 77 HD21 LEU 7 HD21 LEU 7 -5.002 3.708 -3.539 78 HD22 LEU 7 HD22 LEU 7 -4.204 5.174 -4.112 79 HD23 LEU 7 HD23 LEU 7 -5.874 5.242 -3.549 80 H ALA 8 H ALA 8 -3.593 8.811 1.299 81 HA ALA 8 HA ALA 8 -2.584 10.902 -0.501 82 HB1 ALA 8 HB1 ALA 8 -4.787 11.375 0.456 83 HB2 ALA 8 HB2 ALA 8 -3.578 12.521 1.036 84 HB3 ALA 8 HB3 ALA 8 -4.121 11.209 2.080 85 H LYS 9 H LYS 9 -1.790 8.903 2.084 86 HA LYS 9 HA LYS 9 0.184 10.648 3.255 87 HB2 LYS 9 HB2 LYS 9 -0.288 7.680 3.636 88 HB3 LYS 9 HB3 LYS 9 0.828 8.657 4.582 89 HG2 LYS 9 HG2 LYS 9 -0.998 9.964 5.465 90 HG3 LYS 9 HG3 LYS 9 -2.146 9.113 4.431 91 HD2 LYS 9 HD2 LYS 9 -1.653 7.025 5.598 92 HD3 LYS 9 HD3 LYS 9 -0.483 7.862 6.620 93 HE2 LYS 9 HE2 LYS 9 -2.633 7.554 7.761 94 HE3 LYS 9 HE3 LYS 9 -2.250 9.259 7.536 95 HZ1 LYS 9 HZ1 LYS 9 -4.042 7.713 5.746 96 HZ2 LYS 9 HZ2 LYS 9 -3.779 9.389 5.730 97 HZ3 LYS 9 HZ3 LYS 9 -4.589 8.670 7.031 98 HA PRO 10 HA PRO 10 3.175 8.105 0.591 99 HB2 PRO 10 HB2 PRO 10 2.373 6.013 -0.868 100 HB3 PRO 10 HB3 PRO 10 2.707 5.847 0.860 101 HG2 PRO 10 HG2 PRO 10 0.090 6.075 -0.555 102 HG3 PRO 10 HG3 PRO 10 0.537 5.051 0.821 103 HD2 PRO 10 HD2 PRO 10 -0.822 7.453 1.008 104 HD3 PRO 10 HD3 PRO 10 0.093 6.696 2.327 105 H ALA 11 H ALA 11 0.071 9.006 -0.474 106 HA ALA 11 HA ALA 11 -0.628 10.368 -2.147 107 HB1 ALA 11 HB1 ALA 11 0.930 11.490 -3.612 108 HB2 ALA 11 HB2 ALA 11 2.220 10.390 -3.124 109 HB3 ALA 11 HB3 ALA 11 1.531 11.515 -1.954 110 H LEU 12 H LEU 12 1.258 7.577 -2.923 111 HA LEU 12 HA LEU 12 0.070 7.351 -5.571 112 HB2 LEU 12 HB2 LEU 12 2.082 5.620 -4.137 113 HB3 LEU 12 HB3 LEU 12 1.538 5.367 -5.785 114 HG LEU 12 HG LEU 12 3.042 7.798 -4.800 115 HD11 LEU 12 HD11 LEU 12 3.938 5.492 -6.523 116 HD12 LEU 12 HD12 LEU 12 4.431 5.788 -4.856 117 HD13 LEU 12 HD13 LEU 12 4.891 6.923 -6.127 118 HD21 LEU 12 HD21 LEU 12 2.201 6.983 -7.580 119 HD22 LEU 12 HD22 LEU 12 3.189 8.384 -7.164 120 HD23 LEU 12 HD23 LEU 12 1.507 8.303 -6.637 121 H LEU 13 H LEU 13 0.156 4.420 -5.532 122 HA LEU 13 HA LEU 13 -2.565 4.046 -4.732 123 HB2 LEU 13 HB2 LEU 13 -0.520 2.255 -6.010 124 HB3 LEU 13 HB3 LEU 13 -2.080 1.638 -5.505 125 HG LEU 13 HG LEU 13 -2.178 2.100 -7.844 126 HD11 LEU 13 HD11 LEU 13 -4.002 3.713 -7.955 127 HD12 LEU 13 HD12 LEU 13 -3.610 4.270 -6.328 128 HD13 LEU 13 HD13 LEU 13 -4.182 2.622 -6.581 129 HD21 LEU 13 HD21 LEU 13 -1.774 4.321 -8.781 130 HD22 LEU 13 HD22 LEU 13 -0.325 3.660 -8.026 131 HD23 LEU 13 HD23 LEU 13 -1.265 4.898 -7.195 132 H TRP 14 H TRP 14 -0.023 4.151 -2.807 133 HA TRP 14 HA TRP 14 -0.040 3.874 -0.553 134 HB2 TRP 14 HB2 TRP 14 -2.492 3.527 -0.584 135 HB3 TRP 14 HB3 TRP 14 -2.237 1.835 -0.989 136 HD1 TRP 14 HD1 TRP 14 -1.573 4.299 1.914 137 HE1 TRP 14 HE1 TRP 14 -1.520 2.955 4.111 138 HE3 TRP 14 HE3 TRP 14 -2.001 -0.418 -0.018 139 HZ2 TRP 14 HZ2 TRP 14 -1.647 0.247 4.913 140 HZ3 TRP 14 HZ3 TRP 14 -2.032 -2.330 1.535 141 HH2 TRP 14 HH2 TRP 14 -1.859 -2.000 3.944 142 H LYS 15 H LYS 15 -0.534 0.901 -2.403 143 HA LYS 15 HA LYS 15 1.540 -0.371 -0.877 144 HB2 LYS 15 HB2 LYS 15 1.035 -2.362 -2.323 145 HB3 LYS 15 HB3 LYS 15 -0.341 -1.763 -1.405 146 HG2 LYS 15 HG2 LYS 15 -1.141 -0.582 -3.405 147 HG3 LYS 15 HG3 LYS 15 0.220 -1.234 -4.317 148 HD2 LYS 15 HD2 LYS 15 -0.574 -3.488 -3.970 149 HD3 LYS 15 HD3 LYS 15 -1.870 -2.900 -2.926 150 HE2 LYS 15 HE2 LYS 15 -2.767 -3.379 -5.108 151 HE3 LYS 15 HE3 LYS 15 -2.790 -1.639 -4.834 152 HZ1 LYS 15 HZ1 LYS 15 -2.036 -2.081 -7.040 153 HZ2 LYS 15 HZ2 LYS 15 -0.837 -3.149 -6.488 154 HZ3 LYS 15 HZ3 LYS 15 -0.717 -1.491 -6.150 155 H ALA 16 H ALA 16 1.416 1.613 -3.496 156 HA ALA 16 HA ALA 16 3.418 0.506 -5.169 157 HB1 ALA 16 HB1 ALA 16 2.585 3.388 -4.871 158 HB2 ALA 16 HB2 ALA 16 1.826 2.205 -5.937 159 HB3 ALA 16 HB3 ALA 16 3.496 2.699 -6.214 160 H LEU 17 H LEU 17 3.501 2.253 -2.211 161 HA LEU 17 HA LEU 17 6.315 2.959 -2.533 162 HB2 LEU 17 HB2 LEU 17 4.611 4.586 -1.640 163 HB3 LEU 17 HB3 LEU 17 4.460 3.560 -0.228 164 HG LEU 17 HG LEU 17 6.815 3.962 0.329 165 HD11 LEU 17 HD11 LEU 17 6.778 5.813 -2.050 166 HD12 LEU 17 HD12 LEU 17 7.689 4.308 -1.916 167 HD13 LEU 17 HD13 LEU 17 8.082 5.674 -0.873 168 HD21 LEU 17 HD21 LEU 17 5.118 5.413 1.284 169 HD22 LEU 17 HD22 LEU 17 5.200 6.469 -0.126 170 HD23 LEU 17 HD23 LEU 17 6.589 6.328 0.951 171 H ALA 18 H ALA 18 4.397 0.486 -1.321 172 HA ALA 18 HA ALA 18 5.943 -0.259 0.962 173 HB1 ALA 18 HB1 ALA 18 4.581 -2.281 0.971 174 HB2 ALA 18 HB2 ALA 18 3.954 -1.877 -0.628 175 HB3 ALA 18 HB3 ALA 18 3.576 -0.848 0.754 176 H LEU 19 H LEU 19 5.627 -1.575 -2.330 177 HA LEU 19 HA LEU 19 7.720 -3.490 -1.894 178 HB2 LEU 19 HB2 LEU 19 7.441 -3.835 -4.426 179 HB3 LEU 19 HB3 LEU 19 6.123 -4.285 -3.365 180 HG LEU 19 HG LEU 19 5.029 -2.088 -3.933 181 HD11 LEU 19 HD11 LEU 19 7.146 -2.017 -6.079 182 HD12 LEU 19 HD12 LEU 19 6.985 -0.880 -4.740 183 HD13 LEU 19 HD13 LEU 19 5.736 -0.962 -5.982 184 HD21 LEU 19 HD21 LEU 19 5.556 -4.049 -6.157 185 HD22 LEU 19 HD22 LEU 19 4.240 -2.875 -6.121 186 HD23 LEU 19 HD23 LEU 19 4.300 -4.168 -4.923 187 H LYS 20 H LYS 20 8.037 -0.355 -2.025 188 HA LYS 20 HA LYS 20 10.177 -0.161 -3.963 189 HB2 LYS 20 HB2 LYS 20 8.554 1.714 -3.397 190 HB3 LYS 20 HB3 LYS 20 9.411 1.871 -1.871 191 HG2 LYS 20 HG2 LYS 20 11.438 2.466 -2.996 192 HG3 LYS 20 HG3 LYS 20 10.714 2.135 -4.572 193 HD2 LYS 20 HD2 LYS 20 9.030 3.914 -4.073 194 HD3 LYS 20 HD3 LYS 20 9.963 4.311 -2.629 195 HE2 LYS 20 HE2 LYS 20 11.897 4.840 -3.986 196 HE3 LYS 20 HE3 LYS 20 11.034 4.360 -5.448 197 HZ1 LYS 20 HZ1 LYS 20 10.465 6.678 -3.688 198 HZ2 LYS 20 HZ2 LYS 20 9.390 6.137 -4.881 199 HZ3 LYS 20 HZ3 LYS 20 10.926 6.701 -5.321 200 H LEU 21 H LEU 21 9.765 -0.298 -0.455 201 HA LEU 21 HA LEU 21 12.636 -0.406 -0.031 202 HB2 LEU 21 HB2 LEU 21 10.288 -0.603 1.845 203 HB3 LEU 21 HB3 LEU 21 11.944 -0.828 2.371 204 HG LEU 21 HG LEU 21 10.832 1.698 1.142 205 HD11 LEU 21 HD11 LEU 21 9.960 1.280 3.384 206 HD12 LEU 21 HD12 LEU 21 11.092 2.632 3.383 207 HD13 LEU 21 HD13 LEU 21 11.601 1.056 3.988 208 HD21 LEU 21 HD21 LEU 21 13.540 1.081 2.323 209 HD22 LEU 21 HD22 LEU 21 12.981 2.675 1.815 210 HD23 LEU 21 HD23 LEU 21 13.188 1.392 0.622 211 H LYS 22 H LYS 22 10.000 -2.507 -0.551 212 HA LYS 22 HA LYS 22 11.123 -4.860 0.610 213 HB2 LYS 22 HB2 LYS 22 8.706 -4.622 0.228 214 HB3 LYS 22 HB3 LYS 22 8.985 -4.532 -1.506 215 HG2 LYS 22 HG2 LYS 22 8.196 -6.723 -0.904 216 HG3 LYS 22 HG3 LYS 22 9.864 -6.822 -1.468 217 HD2 LYS 22 HD2 LYS 22 10.666 -6.986 0.804 218 HD3 LYS 22 HD3 LYS 22 9.036 -6.729 1.433 219 HE2 LYS 22 HE2 LYS 22 8.301 -8.808 0.383 220 HE3 LYS 22 HE3 LYS 22 9.924 -9.061 -0.258 221 HZ1 LYS 22 HZ1 LYS 22 9.348 -8.838 2.645 222 HZ2 LYS 22 HZ2 LYS 22 10.779 -9.376 1.905 223 HZ3 LYS 22 HZ3 LYS 22 9.373 -10.316 1.814 224 H LYS 23 H LYS 23 12.745 -6.019 -0.167 225 HA LYS 23 HA LYS 23 13.629 -5.585 -2.903 226 HB2 LYS 23 HB2 LYS 23 14.932 -7.078 -0.622 227 HB3 LYS 23 HB3 LYS 23 15.646 -6.841 -2.210 228 HG2 LYS 23 HG2 LYS 23 15.603 -4.411 -1.846 229 HG3 LYS 23 HG3 LYS 23 14.949 -4.683 -0.233 230 HD2 LYS 23 HD2 LYS 23 16.942 -5.850 0.436 231 HD3 LYS 23 HD3 LYS 23 17.586 -5.770 -1.204 232 HE2 LYS 23 HE2 LYS 23 17.602 -3.306 -1.046 233 HE3 LYS 23 HE3 LYS 23 17.041 -3.430 0.621 234 HZ1 LYS 23 HZ1 LYS 23 19.055 -4.411 1.286 235 HZ2 LYS 23 HZ2 LYS 23 19.506 -3.126 0.274 236 HZ3 LYS 23 HZ3 LYS 23 19.546 -4.716 -0.308 237 H ALA 24 H ALA 24 12.947 -6.892 -4.448 238 HA ALA 24 HA ALA 24 11.771 -9.461 -3.795 239 HB1 ALA 24 HB1 ALA 24 11.141 -9.551 -6.142 240 HB2 ALA 24 HB2 ALA 24 12.116 -8.120 -6.478 241 HB3 ALA 24 HB3 ALA 24 10.694 -7.994 -5.444 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -12.696 -7.697 1.324 2 H2 LYS 1 H2 LYS 1 -12.697 -6.840 -0.138 3 H3 LYS 1 H3 LYS 1 -13.996 -6.676 0.940 4 HA LYS 1 HA LYS 1 -12.540 -4.748 1.040 5 HB2 LYS 1 HB2 LYS 1 -13.739 -5.908 3.076 6 HB3 LYS 1 HB3 LYS 1 -12.104 -6.306 3.574 7 HG2 LYS 1 HG2 LYS 1 -11.551 -3.894 3.521 8 HG3 LYS 1 HG3 LYS 1 -13.246 -3.554 3.163 9 HD2 LYS 1 HD2 LYS 1 -13.751 -4.923 5.284 10 HD3 LYS 1 HD3 LYS 1 -12.042 -4.704 5.664 11 HE2 LYS 1 HE2 LYS 1 -13.211 -2.962 6.769 12 HE3 LYS 1 HE3 LYS 1 -12.418 -2.229 5.375 13 HZ1 LYS 1 HZ1 LYS 1 -14.541 -2.412 4.165 14 HZ2 LYS 1 HZ2 LYS 1 -14.660 -1.425 5.540 15 HZ3 LYS 1 HZ3 LYS 1 -15.279 -3.001 5.574 16 H LYS 2 H LYS 2 -10.795 -5.735 -0.554 17 HA LYS 2 HA LYS 2 -8.437 -6.589 1.002 18 HB2 LYS 2 HB2 LYS 2 -9.257 -7.443 -1.772 19 HB3 LYS 2 HB3 LYS 2 -7.769 -7.920 -0.965 20 HG2 LYS 2 HG2 LYS 2 -9.117 -8.998 0.804 21 HG3 LYS 2 HG3 LYS 2 -10.575 -8.593 -0.104 22 HD2 LYS 2 HD2 LYS 2 -8.305 -10.285 -1.136 23 HD3 LYS 2 HD3 LYS 2 -9.814 -10.914 -0.475 24 HE2 LYS 2 HE2 LYS 2 -11.063 -9.787 -2.247 25 HE3 LYS 2 HE3 LYS 2 -9.561 -9.132 -2.900 26 HZ1 LYS 2 HZ1 LYS 2 -10.248 -11.080 -4.125 27 HZ2 LYS 2 HZ2 LYS 2 -10.264 -12.013 -2.705 28 HZ3 LYS 2 HZ3 LYS 2 -8.802 -11.397 -3.299 29 H LEU 3 H LEU 3 -7.165 -4.867 1.137 30 HA LEU 3 HA LEU 3 -5.344 -3.691 0.535 31 HB2 LEU 3 HB2 LEU 3 -5.768 -4.874 -2.200 32 HB3 LEU 3 HB3 LEU 3 -4.319 -4.054 -1.651 33 HG LEU 3 HG LEU 3 -5.397 -6.647 -0.540 34 HD11 LEU 3 HD11 LEU 3 -4.471 -6.856 -2.798 35 HD12 LEU 3 HD12 LEU 3 -3.469 -7.671 -1.599 36 HD13 LEU 3 HD13 LEU 3 -2.972 -6.108 -2.248 37 HD21 LEU 3 HD21 LEU 3 -3.311 -6.752 0.713 38 HD22 LEU 3 HD22 LEU 3 -4.239 -5.319 1.158 39 HD23 LEU 3 HD23 LEU 3 -2.845 -5.171 0.088 40 H LYS 4 H LYS 4 -8.333 -3.067 -0.958 41 HA LYS 4 HA LYS 4 -7.585 -0.895 -2.610 42 HB2 LYS 4 HB2 LYS 4 -10.206 -1.538 -1.264 43 HB3 LYS 4 HB3 LYS 4 -9.989 -0.176 -2.351 44 HG2 LYS 4 HG2 LYS 4 -9.261 -1.810 -4.106 45 HG3 LYS 4 HG3 LYS 4 -9.765 -3.097 -3.003 46 HD2 LYS 4 HD2 LYS 4 -12.021 -2.150 -2.933 47 HD3 LYS 4 HD3 LYS 4 -11.524 -0.876 -4.045 48 HE2 LYS 4 HE2 LYS 4 -11.018 -2.591 -5.740 49 HE3 LYS 4 HE3 LYS 4 -11.580 -3.835 -4.621 50 HZ1 LYS 4 HZ1 LYS 4 -13.358 -3.341 -6.076 51 HZ2 LYS 4 HZ2 LYS 4 -13.184 -1.668 -5.865 52 HZ3 LYS 4 HZ3 LYS 4 -13.754 -2.629 -4.588 53 H LEU 5 H LEU 5 -8.074 -1.178 0.798 54 HA LEU 5 HA LEU 5 -8.520 1.609 1.267 55 HB2 LEU 5 HB2 LEU 5 -9.368 -0.277 2.701 56 HB3 LEU 5 HB3 LEU 5 -7.723 -0.513 3.253 57 HG LEU 5 HG LEU 5 -7.719 1.735 4.239 58 HD11 LEU 5 HD11 LEU 5 -9.806 3.013 4.372 59 HD12 LEU 5 HD12 LEU 5 -10.585 1.845 3.305 60 HD13 LEU 5 HD13 LEU 5 -9.252 2.836 2.707 61 HD21 LEU 5 HD21 LEU 5 -9.336 1.294 6.042 62 HD22 LEU 5 HD22 LEU 5 -8.392 -0.136 5.625 63 HD23 LEU 5 HD23 LEU 5 -10.055 0.015 5.063 64 H ALA 6 H ALA 6 -5.852 -0.018 0.326 65 HA ALA 6 HA ALA 6 -3.853 1.114 2.022 66 HB1 ALA 6 HB1 ALA 6 -2.254 0.277 0.392 67 HB2 ALA 6 HB2 ALA 6 -3.561 -0.039 -0.749 68 HB3 ALA 6 HB3 ALA 6 -3.467 -0.951 0.757 69 H LEU 7 H LEU 7 -5.744 2.338 -0.520 70 HA LEU 7 HA LEU 7 -3.822 4.513 -1.004 71 HB2 LEU 7 HB2 LEU 7 -6.169 3.529 -2.619 72 HB3 LEU 7 HB3 LEU 7 -5.376 5.055 -2.946 73 HG LEU 7 HG LEU 7 -3.234 3.731 -3.278 74 HD11 LEU 7 HD11 LEU 7 -5.165 1.416 -3.405 75 HD12 LEU 7 HD12 LEU 7 -3.948 1.669 -2.153 76 HD13 LEU 7 HD13 LEU 7 -3.451 1.372 -3.820 77 HD21 LEU 7 HD21 LEU 7 -5.544 3.225 -5.145 78 HD22 LEU 7 HD22 LEU 7 -3.836 3.085 -5.559 79 HD23 LEU 7 HD23 LEU 7 -4.514 4.656 -5.127 80 H ALA 8 H ALA 8 -5.882 4.072 1.254 81 HA ALA 8 HA ALA 8 -6.968 6.760 1.210 82 HB1 ALA 8 HB1 ALA 8 -8.837 4.399 1.356 83 HB2 ALA 8 HB2 ALA 8 -8.629 5.446 -0.047 84 HB3 ALA 8 HB3 ALA 8 -9.279 6.104 1.455 85 H LYS 9 H LYS 9 -5.479 4.428 2.898 86 HA LYS 9 HA LYS 9 -6.605 5.427 5.419 87 HB2 LYS 9 HB2 LYS 9 -7.140 3.019 5.042 88 HB3 LYS 9 HB3 LYS 9 -5.415 2.675 5.043 89 HG2 LYS 9 HG2 LYS 9 -5.251 3.526 7.331 90 HG3 LYS 9 HG3 LYS 9 -6.987 3.839 7.329 91 HD2 LYS 9 HD2 LYS 9 -6.591 1.762 8.458 92 HD3 LYS 9 HD3 LYS 9 -7.369 1.420 6.913 93 HE2 LYS 9 HE2 LYS 9 -5.238 0.800 5.940 94 HE3 LYS 9 HE3 LYS 9 -4.400 1.254 7.421 95 HZ1 LYS 9 HZ1 LYS 9 -5.710 -0.487 8.571 96 HZ2 LYS 9 HZ2 LYS 9 -4.648 -1.091 7.396 97 HZ3 LYS 9 HZ3 LYS 9 -6.310 -0.993 7.064 98 HA PRO 10 HA PRO 10 -1.856 5.060 6.104 99 HB2 PRO 10 HB2 PRO 10 -0.727 4.449 3.463 100 HB3 PRO 10 HB3 PRO 10 -0.395 3.686 5.020 101 HG2 PRO 10 HG2 PRO 10 -1.748 2.405 3.093 102 HG3 PRO 10 HG3 PRO 10 -2.139 2.189 4.810 103 HD2 PRO 10 HD2 PRO 10 -3.502 3.914 2.762 104 HD3 PRO 10 HD3 PRO 10 -4.225 2.829 3.976 105 H ALA 11 H ALA 11 -2.587 5.876 2.722 106 HA ALA 11 HA ALA 11 -2.608 8.643 3.097 107 HB1 ALA 11 HB1 ALA 11 -0.198 8.427 3.475 108 HB2 ALA 11 HB2 ALA 11 -0.539 9.330 1.998 109 HB3 ALA 11 HB3 ALA 11 -0.020 7.648 1.903 110 H LEU 12 H LEU 12 -0.970 6.942 0.469 111 HA LEU 12 HA LEU 12 -3.158 6.708 -1.278 112 HB2 LEU 12 HB2 LEU 12 -3.106 9.180 -1.166 113 HB3 LEU 12 HB3 LEU 12 -1.445 9.160 -1.726 114 HG LEU 12 HG LEU 12 -2.195 8.157 -3.859 115 HD11 LEU 12 HD11 LEU 12 -4.963 8.610 -2.751 116 HD12 LEU 12 HD12 LEU 12 -4.208 7.042 -3.039 117 HD13 LEU 12 HD13 LEU 12 -4.571 8.109 -4.396 118 HD21 LEU 12 HD21 LEU 12 -3.598 10.716 -3.110 119 HD22 LEU 12 HD22 LEU 12 -3.244 10.167 -4.749 120 HD23 LEU 12 HD23 LEU 12 -1.926 10.571 -3.651 121 H LEU 13 H LEU 13 -2.564 5.431 -2.954 122 HA LEU 13 HA LEU 13 -1.272 4.008 -4.175 123 HB2 LEU 13 HB2 LEU 13 0.527 6.433 -4.221 124 HB3 LEU 13 HB3 LEU 13 0.715 5.033 -5.261 125 HG LEU 13 HG LEU 13 -1.705 6.840 -5.234 126 HD11 LEU 13 HD11 LEU 13 -0.863 7.665 -7.372 127 HD12 LEU 13 HD12 LEU 13 0.591 6.685 -7.180 128 HD13 LEU 13 HD13 LEU 13 0.265 8.007 -6.061 129 HD21 LEU 13 HD21 LEU 13 -0.891 4.588 -7.066 130 HD22 LEU 13 HD22 LEU 13 -2.261 5.668 -7.323 131 HD23 LEU 13 HD23 LEU 13 -2.243 4.584 -5.932 132 H TRP 14 H TRP 14 -1.003 3.694 -1.400 133 HA TRP 14 HA TRP 14 1.771 3.650 -0.659 134 HB2 TRP 14 HB2 TRP 14 -0.244 4.038 0.891 135 HB3 TRP 14 HB3 TRP 14 -0.483 2.296 0.821 136 HD1 TRP 14 HD1 TRP 14 2.000 4.917 2.110 137 HE1 TRP 14 HE1 TRP 14 3.445 3.850 3.952 138 HE3 TRP 14 HE3 TRP 14 0.372 0.089 1.704 139 HZ2 TRP 14 HZ2 TRP 14 3.841 1.292 5.078 140 HZ3 TRP 14 HZ3 TRP 14 1.334 -1.608 3.201 141 HH2 TRP 14 HH2 TRP 14 3.035 -1.018 4.855 142 H LYS 15 H LYS 15 -0.475 1.573 -2.160 143 HA LYS 15 HA LYS 15 0.625 -0.928 -1.596 144 HB2 LYS 15 HB2 LYS 15 -1.561 -0.632 -2.677 145 HB3 LYS 15 HB3 LYS 15 -0.774 0.016 -4.108 146 HG2 LYS 15 HG2 LYS 15 0.322 -2.138 -4.477 147 HG3 LYS 15 HG3 LYS 15 -0.481 -2.785 -3.044 148 HD2 LYS 15 HD2 LYS 15 -1.884 -1.705 -5.492 149 HD3 LYS 15 HD3 LYS 15 -1.621 -3.412 -5.140 150 HE2 LYS 15 HE2 LYS 15 -2.970 -3.225 -3.123 151 HE3 LYS 15 HE3 LYS 15 -3.193 -1.501 -3.414 152 HZ1 LYS 15 HZ1 LYS 15 -4.142 -3.685 -5.194 153 HZ2 LYS 15 HZ2 LYS 15 -4.370 -2.025 -5.456 154 HZ3 LYS 15 HZ3 LYS 15 -5.112 -2.787 -4.136 155 H ALA 16 H ALA 16 1.463 1.555 -3.923 156 HA ALA 16 HA ALA 16 3.520 -0.087 -5.150 157 HB1 ALA 16 HB1 ALA 16 2.136 1.413 -6.532 158 HB2 ALA 16 HB2 ALA 16 3.856 1.789 -6.647 159 HB3 ALA 16 HB3 ALA 16 2.798 2.796 -5.660 160 H LEU 17 H LEU 17 3.237 1.888 -2.465 161 HA LEU 17 HA LEU 17 5.962 2.906 -2.571 162 HB2 LEU 17 HB2 LEU 17 4.146 4.377 -1.776 163 HB3 LEU 17 HB3 LEU 17 3.813 3.255 -0.471 164 HG LEU 17 HG LEU 17 6.076 3.683 0.443 165 HD11 LEU 17 HD11 LEU 17 6.206 5.762 -1.737 166 HD12 LEU 17 HD12 LEU 17 7.218 4.323 -1.600 167 HD13 LEU 17 HD13 LEU 17 7.344 5.609 -0.399 168 HD21 LEU 17 HD21 LEU 17 4.202 4.909 1.333 169 HD22 LEU 17 HD22 LEU 17 4.313 6.091 0.029 170 HD23 LEU 17 HD23 LEU 17 5.600 5.980 1.229 171 H ALA 18 H ALA 18 3.970 0.543 -0.957 172 HA ALA 18 HA ALA 18 5.686 -0.246 1.088 173 HB1 ALA 18 HB1 ALA 18 4.459 -2.363 1.090 174 HB2 ALA 18 HB2 ALA 18 3.766 -1.965 -0.481 175 HB3 ALA 18 HB3 ALA 18 3.361 -0.992 0.932 176 H LEU 19 H LEU 19 5.687 -0.986 -2.323 177 HA LEU 19 HA LEU 19 7.511 -3.143 -2.282 178 HB2 LEU 19 HB2 LEU 19 6.956 -1.139 -4.468 179 HB3 LEU 19 HB3 LEU 19 7.818 -2.650 -4.676 180 HG LEU 19 HG LEU 19 4.919 -2.394 -3.868 181 HD11 LEU 19 HD11 LEU 19 5.319 -1.742 -6.189 182 HD12 LEU 19 HD12 LEU 19 4.445 -3.271 -6.090 183 HD13 LEU 19 HD13 LEU 19 6.168 -3.263 -6.470 184 HD21 LEU 19 HD21 LEU 19 5.988 -4.385 -2.927 185 HD22 LEU 19 HD22 LEU 19 6.571 -4.830 -4.531 186 HD23 LEU 19 HD23 LEU 19 4.840 -4.814 -4.196 187 H LYS 20 H LYS 20 7.921 0.266 -1.992 188 HA LYS 20 HA LYS 20 10.732 0.230 -2.683 189 HB2 LYS 20 HB2 LYS 20 8.979 2.408 -1.530 190 HB3 LYS 20 HB3 LYS 20 10.662 2.624 -1.990 191 HG2 LYS 20 HG2 LYS 20 8.481 1.775 -3.878 192 HG3 LYS 20 HG3 LYS 20 9.043 3.437 -3.677 193 HD2 LYS 20 HD2 LYS 20 11.285 2.775 -4.381 194 HD3 LYS 20 HD3 LYS 20 10.751 1.100 -4.539 195 HE2 LYS 20 HE2 LYS 20 10.864 2.309 -6.700 196 HE3 LYS 20 HE3 LYS 20 9.257 1.685 -6.330 197 HZ1 LYS 20 HZ1 LYS 20 10.004 4.466 -5.652 198 HZ2 LYS 20 HZ2 LYS 20 8.457 3.801 -5.884 199 HZ3 LYS 20 HZ3 LYS 20 9.474 4.063 -7.213 200 H LEU 21 H LEU 21 8.746 -0.088 0.116 201 HA LEU 21 HA LEU 21 10.934 0.326 1.971 202 HB2 LEU 21 HB2 LEU 21 8.023 -0.302 2.244 203 HB3 LEU 21 HB3 LEU 21 9.098 -0.620 3.590 204 HG LEU 21 HG LEU 21 9.776 1.786 3.547 205 HD11 LEU 21 HD11 LEU 21 8.432 3.389 2.335 206 HD12 LEU 21 HD12 LEU 21 7.471 2.090 1.630 207 HD13 LEU 21 HD13 LEU 21 9.176 2.254 1.208 208 HD21 LEU 21 HD21 LEU 21 7.740 2.605 4.604 209 HD22 LEU 21 HD22 LEU 21 8.090 0.952 5.112 210 HD23 LEU 21 HD23 LEU 21 6.829 1.262 3.917 211 H LYS 22 H LYS 22 9.819 -2.166 0.039 212 HA LYS 22 HA LYS 22 10.510 -4.359 1.761 213 HB2 LYS 22 HB2 LYS 22 9.939 -4.186 -1.194 214 HB3 LYS 22 HB3 LYS 22 10.353 -5.692 -0.385 215 HG2 LYS 22 HG2 LYS 22 8.407 -5.414 1.083 216 HG3 LYS 22 HG3 LYS 22 7.977 -3.942 0.209 217 HD2 LYS 22 HD2 LYS 22 7.570 -5.161 -1.795 218 HD3 LYS 22 HD3 LYS 22 8.277 -6.630 -1.115 219 HE2 LYS 22 HE2 LYS 22 5.751 -5.269 -0.175 220 HE3 LYS 22 HE3 LYS 22 5.839 -6.757 -1.118 221 HZ1 LYS 22 HZ1 LYS 22 5.527 -7.338 1.161 222 HZ2 LYS 22 HZ2 LYS 22 6.806 -6.345 1.662 223 HZ3 LYS 22 HZ3 LYS 22 7.123 -7.738 0.749 224 H LYS 23 H LYS 23 12.599 -3.228 2.260 225 HA LYS 23 HA LYS 23 14.675 -3.614 0.262 226 HB2 LYS 23 HB2 LYS 23 14.981 -2.492 3.047 227 HB3 LYS 23 HB3 LYS 23 16.078 -2.297 1.685 228 HG2 LYS 23 HG2 LYS 23 14.370 -0.991 0.505 229 HG3 LYS 23 HG3 LYS 23 13.296 -1.164 1.893 230 HD2 LYS 23 HD2 LYS 23 15.066 -0.044 3.275 231 HD3 LYS 23 HD3 LYS 23 15.928 0.292 1.770 232 HE2 LYS 23 HE2 LYS 23 13.858 1.430 0.940 233 HE3 LYS 23 HE3 LYS 23 13.176 1.239 2.554 234 HZ1 LYS 23 HZ1 LYS 23 15.595 2.785 1.814 235 HZ2 LYS 23 HZ2 LYS 23 15.096 2.514 3.412 236 HZ3 LYS 23 HZ3 LYS 23 14.112 3.409 2.352 237 H ALA 24 H ALA 24 13.206 -5.313 2.691 238 HA ALA 24 HA ALA 24 15.191 -7.394 2.588 239 HB1 ALA 24 HB1 ALA 24 14.467 -6.176 5.259 240 HB2 ALA 24 HB2 ALA 24 16.026 -6.013 4.449 241 HB3 ALA 24 HB3 ALA 24 15.480 -7.596 4.998 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -2.661 15.498 13.652 2 H2 LYS 1 H2 LYS 1 -1.117 14.797 13.661 3 H3 LYS 1 H3 LYS 1 -1.778 15.371 12.212 4 HA LYS 1 HA LYS 1 -1.740 17.624 13.037 5 HB2 LYS 1 HB2 LYS 1 -0.405 16.355 15.439 6 HB3 LYS 1 HB3 LYS 1 -0.494 18.085 15.143 7 HG2 LYS 1 HG2 LYS 1 -2.925 17.997 15.284 8 HG3 LYS 1 HG3 LYS 1 -2.852 16.256 15.546 9 HD2 LYS 1 HD2 LYS 1 -3.138 17.308 17.673 10 HD3 LYS 1 HD3 LYS 1 -1.488 16.690 17.586 11 HE2 LYS 1 HE2 LYS 1 -1.448 18.887 18.558 12 HE3 LYS 1 HE3 LYS 1 -0.722 18.958 16.954 13 HZ1 LYS 1 HZ1 LYS 1 -2.307 20.794 17.501 14 HZ2 LYS 1 HZ2 LYS 1 -3.559 19.650 17.474 15 HZ3 LYS 1 HZ3 LYS 1 -2.655 19.957 16.070 16 H LYS 2 H LYS 2 -0.552 16.941 11.018 17 HA LYS 2 HA LYS 2 1.302 16.863 9.699 18 HB2 LYS 2 HB2 LYS 2 2.375 18.563 11.954 19 HB3 LYS 2 HB3 LYS 2 3.196 18.337 10.418 20 HG2 LYS 2 HG2 LYS 2 0.471 19.564 10.774 21 HG3 LYS 2 HG3 LYS 2 1.973 20.453 10.521 22 HD2 LYS 2 HD2 LYS 2 2.236 19.184 8.363 23 HD3 LYS 2 HD3 LYS 2 0.601 18.570 8.609 24 HE2 LYS 2 HE2 LYS 2 1.399 21.467 8.360 25 HE3 LYS 2 HE3 LYS 2 0.602 20.501 7.121 26 HZ1 LYS 2 HZ1 LYS 2 -0.553 21.105 9.792 27 HZ2 LYS 2 HZ2 LYS 2 -1.328 20.299 8.514 28 HZ3 LYS 2 HZ3 LYS 2 -0.928 21.941 8.366 29 H LEU 3 H LEU 3 1.039 14.540 11.141 30 HA LEU 3 HA LEU 3 3.484 13.986 12.575 31 HB2 LEU 3 HB2 LEU 3 1.227 13.053 13.186 32 HB3 LEU 3 HB3 LEU 3 1.336 12.037 11.763 33 HG LEU 3 HG LEU 3 3.350 10.956 12.697 34 HD11 LEU 3 HD11 LEU 3 2.777 12.703 15.086 35 HD12 LEU 3 HD12 LEU 3 4.190 12.794 14.035 36 HD13 LEU 3 HD13 LEU 3 3.935 11.374 15.050 37 HD21 LEU 3 HD21 LEU 3 0.986 10.963 14.568 38 HD22 LEU 3 HD22 LEU 3 2.217 9.706 14.448 39 HD23 LEU 3 HD23 LEU 3 1.128 10.005 13.094 40 H LYS 4 H LYS 4 4.829 14.523 10.742 41 HA LYS 4 HA LYS 4 6.382 13.945 9.216 42 HB2 LYS 4 HB2 LYS 4 5.484 11.092 9.646 43 HB3 LYS 4 HB3 LYS 4 6.968 11.606 8.859 44 HG2 LYS 4 HG2 LYS 4 7.330 12.823 11.191 45 HG3 LYS 4 HG3 LYS 4 6.275 11.518 11.735 46 HD2 LYS 4 HD2 LYS 4 8.917 11.270 10.303 47 HD3 LYS 4 HD3 LYS 4 8.550 10.795 11.960 48 HE2 LYS 4 HE2 LYS 4 7.323 9.569 9.493 49 HE3 LYS 4 HE3 LYS 4 8.674 8.884 10.395 50 HZ1 LYS 4 HZ1 LYS 4 6.562 7.866 10.993 51 HZ2 LYS 4 HZ2 LYS 4 5.947 9.365 11.477 52 HZ3 LYS 4 HZ3 LYS 4 7.243 8.670 12.322 53 H LEU 5 H LEU 5 3.666 14.571 8.410 54 HA LEU 5 HA LEU 5 2.445 14.765 6.511 55 HB2 LEU 5 HB2 LEU 5 4.569 15.233 5.426 56 HB3 LEU 5 HB3 LEU 5 4.883 13.520 5.239 57 HG LEU 5 HG LEU 5 2.940 13.352 3.708 58 HD11 LEU 5 HD11 LEU 5 2.855 16.357 3.950 59 HD12 LEU 5 HD12 LEU 5 1.650 15.237 4.587 60 HD13 LEU 5 HD13 LEU 5 1.897 15.369 2.846 61 HD21 LEU 5 HD21 LEU 5 4.995 15.421 2.939 62 HD22 LEU 5 HD22 LEU 5 3.991 14.497 1.822 63 HD23 LEU 5 HD23 LEU 5 5.186 13.672 2.822 64 H ALA 6 H ALA 6 0.768 13.433 7.005 65 HA ALA 6 HA ALA 6 0.937 10.675 5.963 66 HB1 ALA 6 HB1 ALA 6 0.828 10.718 8.422 67 HB2 ALA 6 HB2 ALA 6 -0.608 9.979 7.711 68 HB3 ALA 6 HB3 ALA 6 -0.679 11.631 8.327 69 H LEU 7 H LEU 7 0.137 13.136 4.628 70 HA LEU 7 HA LEU 7 -2.753 12.770 4.330 71 HB2 LEU 7 HB2 LEU 7 -1.915 15.045 4.817 72 HB3 LEU 7 HB3 LEU 7 -0.986 15.005 3.331 73 HG LEU 7 HG LEU 7 -3.089 14.824 2.045 74 HD11 LEU 7 HD11 LEU 7 -4.453 13.747 3.764 75 HD12 LEU 7 HD12 LEU 7 -5.219 15.218 3.165 76 HD13 LEU 7 HD13 LEU 7 -4.405 15.224 4.727 77 HD21 LEU 7 HD21 LEU 7 -3.010 17.167 3.940 78 HD22 LEU 7 HD22 LEU 7 -3.792 17.126 2.359 79 HD23 LEU 7 HD23 LEU 7 -2.036 17.004 2.480 80 H ALA 8 H ALA 8 -3.208 11.282 2.871 81 HA ALA 8 HA ALA 8 -3.556 10.365 0.835 82 HB1 ALA 8 HB1 ALA 8 -1.873 12.606 -0.267 83 HB2 ALA 8 HB2 ALA 8 -3.627 12.622 -0.078 84 HB3 ALA 8 HB3 ALA 8 -2.871 11.495 -1.205 85 H LYS 9 H LYS 9 -0.699 10.476 2.394 86 HA LYS 9 HA LYS 9 0.952 9.135 0.467 87 HB2 LYS 9 HB2 LYS 9 1.892 10.578 2.280 88 HB3 LYS 9 HB3 LYS 9 1.372 9.376 3.455 89 HG2 LYS 9 HG2 LYS 9 2.781 7.727 2.084 90 HG3 LYS 9 HG3 LYS 9 3.516 9.171 1.381 91 HD2 LYS 9 HD2 LYS 9 4.062 9.944 3.670 92 HD3 LYS 9 HD3 LYS 9 3.425 8.424 4.301 93 HE2 LYS 9 HE2 LYS 9 5.100 7.286 2.733 94 HE3 LYS 9 HE3 LYS 9 5.852 8.874 2.585 95 HZ1 LYS 9 HZ1 LYS 9 5.596 7.178 4.993 96 HZ2 LYS 9 HZ2 LYS 9 5.894 8.841 5.121 97 HZ3 LYS 9 HZ3 LYS 9 7.001 7.845 4.314 98 HA PRO 10 HA PRO 10 0.007 5.238 3.052 99 HB2 PRO 10 HB2 PRO 10 -2.033 5.747 5.029 100 HB3 PRO 10 HB3 PRO 10 -0.360 5.248 5.279 101 HG2 PRO 10 HG2 PRO 10 -1.344 7.701 5.997 102 HG3 PRO 10 HG3 PRO 10 0.359 7.383 5.628 103 HD2 PRO 10 HD2 PRO 10 -1.756 8.614 3.908 104 HD3 PRO 10 HD3 PRO 10 -0.043 9.049 4.079 105 H ALA 11 H ALA 11 -2.661 7.386 2.396 106 HA ALA 11 HA ALA 11 -4.581 5.244 2.117 107 HB1 ALA 11 HB1 ALA 11 -5.239 7.428 3.031 108 HB2 ALA 11 HB2 ALA 11 -6.182 6.977 1.611 109 HB3 ALA 11 HB3 ALA 11 -4.892 8.169 1.469 110 H LEU 12 H LEU 12 -2.292 6.720 0.088 111 HA LEU 12 HA LEU 12 -3.618 5.569 -2.265 112 HB2 LEU 12 HB2 LEU 12 -2.353 8.303 -2.094 113 HB3 LEU 12 HB3 LEU 12 -2.782 7.514 -3.598 114 HG LEU 12 HG LEU 12 -4.745 8.265 -1.431 115 HD11 LEU 12 HD11 LEU 12 -5.469 10.010 -2.980 116 HD12 LEU 12 HD12 LEU 12 -4.172 9.566 -4.089 117 HD13 LEU 12 HD13 LEU 12 -3.786 10.233 -2.502 118 HD21 LEU 12 HD21 LEU 12 -5.476 6.337 -2.726 119 HD22 LEU 12 HD22 LEU 12 -5.159 7.207 -4.228 120 HD23 LEU 12 HD23 LEU 12 -6.435 7.758 -3.141 121 H LEU 13 H LEU 13 -2.331 4.357 -3.478 122 HA LEU 13 HA LEU 13 -0.507 3.336 -4.347 123 HB2 LEU 13 HB2 LEU 13 0.687 6.036 -3.751 124 HB3 LEU 13 HB3 LEU 13 1.629 4.750 -4.473 125 HG LEU 13 HG LEU 13 -0.086 4.695 -6.339 126 HD11 LEU 13 HD11 LEU 13 -1.880 5.887 -5.151 127 HD12 LEU 13 HD12 LEU 13 -1.459 6.651 -6.683 128 HD13 LEU 13 HD13 LEU 13 -0.895 7.350 -5.165 129 HD21 LEU 13 HD21 LEU 13 1.487 7.235 -5.955 130 HD22 LEU 13 HD22 LEU 13 0.917 6.582 -7.491 131 HD23 LEU 13 HD23 LEU 13 2.130 5.708 -6.556 132 H TRP 14 H TRP 14 -1.096 2.698 -1.711 133 HA TRP 14 HA TRP 14 1.306 2.836 -0.135 134 HB2 TRP 14 HB2 TRP 14 0.067 1.520 1.522 135 HB3 TRP 14 HB3 TRP 14 -0.893 2.889 0.978 136 HD1 TRP 14 HD1 TRP 14 -0.965 -0.837 1.287 137 HE1 TRP 14 HE1 TRP 14 -3.178 -1.763 0.342 138 HE3 TRP 14 HE3 TRP 14 -2.696 3.393 -1.007 139 HZ2 TRP 14 HZ2 TRP 14 -5.360 -0.815 -1.169 140 HZ3 TRP 14 HZ3 TRP 14 -4.857 3.299 -2.175 141 HH2 TRP 14 HH2 TRP 14 -6.161 1.239 -2.256 142 H LYS 15 H LYS 15 -0.203 0.746 -2.418 143 HA LYS 15 HA LYS 15 1.733 -1.355 -1.912 144 HB2 LYS 15 HB2 LYS 15 -0.523 -1.150 -3.906 145 HB3 LYS 15 HB3 LYS 15 0.590 -2.509 -3.838 146 HG2 LYS 15 HG2 LYS 15 -1.295 -1.631 -1.657 147 HG3 LYS 15 HG3 LYS 15 -1.477 -3.044 -2.699 148 HD2 LYS 15 HD2 LYS 15 0.599 -3.980 -1.773 149 HD3 LYS 15 HD3 LYS 15 0.757 -2.575 -0.720 150 HE2 LYS 15 HE2 LYS 15 -0.185 -4.391 0.542 151 HE3 LYS 15 HE3 LYS 15 -1.423 -3.157 0.311 152 HZ1 LYS 15 HZ1 LYS 15 -2.269 -5.409 -0.048 153 HZ2 LYS 15 HZ2 LYS 15 -1.159 -5.639 -1.308 154 HZ3 LYS 15 HZ3 LYS 15 -2.379 -4.475 -1.457 155 H ALA 16 H ALA 16 2.247 1.455 -2.964 156 HA ALA 16 HA ALA 16 3.872 0.605 -5.269 157 HB1 ALA 16 HB1 ALA 16 2.075 2.157 -5.918 158 HB2 ALA 16 HB2 ALA 16 3.678 2.838 -6.186 159 HB3 ALA 16 HB3 ALA 16 2.723 3.354 -4.796 160 H LEU 17 H LEU 17 3.719 2.858 -2.503 161 HA LEU 17 HA LEU 17 6.550 3.416 -2.816 162 HB2 LEU 17 HB2 LEU 17 6.156 5.001 -0.897 163 HB3 LEU 17 HB3 LEU 17 5.291 5.355 -2.376 164 HG LEU 17 HG LEU 17 3.287 4.177 -1.281 165 HD11 LEU 17 HD11 LEU 17 3.255 4.251 1.174 166 HD12 LEU 17 HD12 LEU 17 4.968 4.673 1.175 167 HD13 LEU 17 HD13 LEU 17 4.447 3.104 0.560 168 HD21 LEU 17 HD21 LEU 17 2.655 6.226 -0.080 169 HD22 LEU 17 HD22 LEU 17 3.366 6.565 -1.658 170 HD23 LEU 17 HD23 LEU 17 4.322 6.790 -0.192 171 H ALA 18 H ALA 18 4.689 1.142 -1.311 172 HA ALA 18 HA ALA 18 6.787 0.663 0.669 173 HB1 ALA 18 HB1 ALA 18 4.597 1.052 1.675 174 HB2 ALA 18 HB2 ALA 18 5.169 -0.587 1.988 175 HB3 ALA 18 HB3 ALA 18 3.936 -0.300 0.757 176 H LEU 19 H LEU 19 4.802 -0.778 -1.840 177 HA LEU 19 HA LEU 19 5.812 -3.429 -1.464 178 HB2 LEU 19 HB2 LEU 19 3.572 -2.914 -2.417 179 HB3 LEU 19 HB3 LEU 19 4.363 -2.290 -3.850 180 HG LEU 19 HG LEU 19 5.319 -4.549 -4.262 181 HD11 LEU 19 HD11 LEU 19 3.539 -5.357 -1.967 182 HD12 LEU 19 HD12 LEU 19 5.303 -5.383 -1.974 183 HD13 LEU 19 HD13 LEU 19 4.400 -6.457 -3.042 184 HD21 LEU 19 HD21 LEU 19 3.264 -3.841 -5.370 185 HD22 LEU 19 HD22 LEU 19 2.317 -4.443 -4.009 186 HD23 LEU 19 HD23 LEU 19 3.231 -5.568 -5.013 187 H LYS 20 H LYS 20 6.978 -0.645 -3.083 188 HA LYS 20 HA LYS 20 8.761 -2.189 -4.779 189 HB2 LYS 20 HB2 LYS 20 8.443 0.778 -4.337 190 HB3 LYS 20 HB3 LYS 20 9.691 0.091 -5.367 191 HG2 LYS 20 HG2 LYS 20 7.961 -0.950 -6.753 192 HG3 LYS 20 HG3 LYS 20 6.721 -0.232 -5.725 193 HD2 LYS 20 HD2 LYS 20 7.484 2.001 -6.349 194 HD3 LYS 20 HD3 LYS 20 8.760 1.296 -7.343 195 HE2 LYS 20 HE2 LYS 20 5.791 0.952 -7.757 196 HE3 LYS 20 HE3 LYS 20 6.854 1.993 -8.706 197 HZ1 LYS 20 HZ1 LYS 20 8.063 0.054 -9.445 198 HZ2 LYS 20 HZ2 LYS 20 6.418 -0.127 -9.808 199 HZ3 LYS 20 HZ3 LYS 20 7.092 -0.963 -8.498 200 H LEU 21 H LEU 21 8.662 -1.162 -1.611 201 HA LEU 21 HA LEU 21 11.553 -1.088 -1.267 202 HB2 LEU 21 HB2 LEU 21 10.119 0.466 0.018 203 HB3 LEU 21 HB3 LEU 21 9.312 -0.902 0.759 204 HG LEU 21 HG LEU 21 11.424 -1.560 1.838 205 HD11 LEU 21 HD11 LEU 21 13.330 -0.019 1.802 206 HD12 LEU 21 HD12 LEU 21 12.498 0.972 0.603 207 HD13 LEU 21 HD13 LEU 21 12.982 -0.676 0.203 208 HD21 LEU 21 HD21 LEU 21 9.881 -0.159 3.064 209 HD22 LEU 21 HD22 LEU 21 10.562 1.290 2.324 210 HD23 LEU 21 HD23 LEU 21 11.538 0.323 3.431 211 H LYS 22 H LYS 22 8.731 -3.023 -0.420 212 HA LYS 22 HA LYS 22 10.511 -5.356 -0.144 213 HB2 LYS 22 HB2 LYS 22 7.904 -4.760 1.268 214 HB3 LYS 22 HB3 LYS 22 8.651 -6.353 1.251 215 HG2 LYS 22 HG2 LYS 22 10.659 -5.362 2.319 216 HG3 LYS 22 HG3 LYS 22 9.789 -3.831 2.439 217 HD2 LYS 22 HD2 LYS 22 9.704 -5.119 4.533 218 HD3 LYS 22 HD3 LYS 22 8.101 -4.870 3.839 219 HE2 LYS 22 HE2 LYS 22 8.414 -7.165 4.681 220 HE3 LYS 22 HE3 LYS 22 8.099 -7.122 2.947 221 HZ1 LYS 22 HZ1 LYS 22 10.817 -7.321 4.127 222 HZ2 LYS 22 HZ2 LYS 22 10.388 -7.505 2.495 223 HZ3 LYS 22 HZ3 LYS 22 9.902 -8.659 3.633 224 H LYS 23 H LYS 23 10.368 -5.722 -2.393 225 HA LYS 23 HA LYS 23 7.875 -5.780 -3.748 226 HB2 LYS 23 HB2 LYS 23 10.530 -6.940 -4.607 227 HB3 LYS 23 HB3 LYS 23 9.133 -6.702 -5.647 228 HG2 LYS 23 HG2 LYS 23 9.332 -4.219 -4.971 229 HG3 LYS 23 HG3 LYS 23 10.963 -4.657 -4.450 230 HD2 LYS 23 HD2 LYS 23 11.368 -5.584 -6.725 231 HD3 LYS 23 HD3 LYS 23 9.788 -4.971 -7.213 232 HE2 LYS 23 HE2 LYS 23 11.330 -3.351 -7.935 233 HE3 LYS 23 HE3 LYS 23 10.622 -2.686 -6.464 234 HZ1 LYS 23 HZ1 LYS 23 12.566 -3.386 -5.230 235 HZ2 LYS 23 HZ2 LYS 23 13.035 -2.409 -6.536 236 HZ3 LYS 23 HZ3 LYS 23 13.234 -4.091 -6.622 237 H ALA 24 H ALA 24 6.653 -7.461 -4.453 238 HA ALA 24 HA ALA 24 7.163 -10.060 -3.171 239 HB1 ALA 24 HB1 ALA 24 5.088 -8.958 -2.444 240 HB2 ALA 24 HB2 ALA 24 4.762 -10.462 -3.306 241 HB3 ALA 24 HB3 ALA 24 4.534 -8.912 -4.116 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 14.747 15.504 5.709 2 H2 LYS 1 H2 LYS 1 14.308 13.898 5.378 3 H3 LYS 1 H3 LYS 1 13.561 15.173 4.547 4 HA LYS 1 HA LYS 1 15.512 15.731 3.396 5 HB2 LYS 1 HB2 LYS 1 17.611 14.504 3.725 6 HB3 LYS 1 HB3 LYS 1 17.114 15.322 5.197 7 HG2 LYS 1 HG2 LYS 1 16.176 13.139 5.984 8 HG3 LYS 1 HG3 LYS 1 16.940 12.386 4.583 9 HD2 LYS 1 HD2 LYS 1 18.410 13.987 6.675 10 HD3 LYS 1 HD3 LYS 1 18.273 12.231 6.687 11 HE2 LYS 1 HE2 LYS 1 20.364 12.635 5.731 12 HE3 LYS 1 HE3 LYS 1 19.321 12.320 4.349 13 HZ1 LYS 1 HZ1 LYS 1 19.887 15.073 5.286 14 HZ2 LYS 1 HZ2 LYS 1 19.292 14.579 3.775 15 HZ3 LYS 1 HZ3 LYS 1 20.906 14.272 4.193 16 H LYS 2 H LYS 2 15.574 14.932 1.379 17 HA LYS 2 HA LYS 2 15.029 13.649 -0.413 18 HB2 LYS 2 HB2 LYS 2 15.199 11.389 1.581 19 HB3 LYS 2 HB3 LYS 2 14.807 11.140 -0.113 20 HG2 LYS 2 HG2 LYS 2 17.358 12.331 0.956 21 HG3 LYS 2 HG3 LYS 2 17.152 10.699 0.314 22 HD2 LYS 2 HD2 LYS 2 16.404 11.768 -1.846 23 HD3 LYS 2 HD3 LYS 2 16.927 13.313 -1.175 24 HE2 LYS 2 HE2 LYS 2 18.700 12.470 -2.532 25 HE3 LYS 2 HE3 LYS 2 19.193 12.314 -0.847 26 HZ1 LYS 2 HZ1 LYS 2 19.709 10.326 -2.145 27 HZ2 LYS 2 HZ2 LYS 2 18.063 10.123 -2.509 28 HZ3 LYS 2 HZ3 LYS 2 18.600 9.983 -0.908 29 H LEU 3 H LEU 3 13.273 11.948 2.166 30 HA LEU 3 HA LEU 3 10.752 13.010 1.114 31 HB2 LEU 3 HB2 LEU 3 11.336 10.105 1.703 32 HB3 LEU 3 HB3 LEU 3 9.729 10.748 1.428 33 HG LEU 3 HG LEU 3 11.967 10.801 -0.603 34 HD11 LEU 3 HD11 LEU 3 9.559 8.996 -0.392 35 HD12 LEU 3 HD12 LEU 3 11.242 8.521 -0.159 36 HD13 LEU 3 HD13 LEU 3 10.687 9.052 -1.747 37 HD21 LEU 3 HD21 LEU 3 10.352 12.616 -0.876 38 HD22 LEU 3 HD22 LEU 3 9.030 11.450 -0.851 39 HD23 LEU 3 HD23 LEU 3 10.200 11.428 -2.170 40 H LYS 4 H LYS 4 10.194 14.249 2.796 41 HA LYS 4 HA LYS 4 10.692 13.483 5.516 42 HB2 LYS 4 HB2 LYS 4 10.676 15.846 4.776 43 HB3 LYS 4 HB3 LYS 4 8.958 15.710 4.428 44 HG2 LYS 4 HG2 LYS 4 8.717 15.054 6.898 45 HG3 LYS 4 HG3 LYS 4 10.344 15.713 7.082 46 HD2 LYS 4 HD2 LYS 4 8.721 17.424 7.606 47 HD3 LYS 4 HD3 LYS 4 9.553 17.843 6.105 48 HE2 LYS 4 HE2 LYS 4 7.674 16.984 4.809 49 HE3 LYS 4 HE3 LYS 4 6.846 16.524 6.295 50 HZ1 LYS 4 HZ1 LYS 4 7.569 19.296 5.510 51 HZ2 LYS 4 HZ2 LYS 4 6.742 18.847 6.921 52 HZ3 LYS 4 HZ3 LYS 4 6.020 18.611 5.408 53 H LEU 5 H LEU 5 7.620 14.320 3.908 54 HA LEU 5 HA LEU 5 6.279 11.941 4.603 55 HB2 LEU 5 HB2 LEU 5 6.524 12.866 6.891 56 HB3 LEU 5 HB3 LEU 5 5.663 14.306 6.381 57 HG LEU 5 HG LEU 5 3.657 12.930 5.930 58 HD11 LEU 5 HD11 LEU 5 5.311 10.706 7.112 59 HD12 LEU 5 HD12 LEU 5 4.722 10.807 5.453 60 HD13 LEU 5 HD13 LEU 5 3.578 10.628 6.785 61 HD21 LEU 5 HD21 LEU 5 4.775 12.642 8.713 62 HD22 LEU 5 HD22 LEU 5 3.076 12.509 8.260 63 HD23 LEU 5 HD23 LEU 5 3.918 14.048 8.080 64 H ALA 6 H ALA 6 5.059 11.886 2.831 65 HA ALA 6 HA ALA 6 3.037 13.880 2.398 66 HB1 ALA 6 HB1 ALA 6 3.683 14.433 0.097 67 HB2 ALA 6 HB2 ALA 6 5.166 13.497 0.291 68 HB3 ALA 6 HB3 ALA 6 4.909 14.952 1.255 69 H LEU 7 H LEU 7 4.750 11.110 1.021 70 HA LEU 7 HA LEU 7 2.419 10.123 -0.329 71 HB2 LEU 7 HB2 LEU 7 5.114 8.865 0.179 72 HB3 LEU 7 HB3 LEU 7 3.866 8.173 -0.842 73 HG LEU 7 HG LEU 7 5.284 10.798 -1.335 74 HD11 LEU 7 HD11 LEU 7 5.538 8.123 -2.704 75 HD12 LEU 7 HD12 LEU 7 6.748 8.887 -1.673 76 HD13 LEU 7 HD13 LEU 7 6.315 9.622 -3.218 77 HD21 LEU 7 HD21 LEU 7 2.988 10.802 -2.170 78 HD22 LEU 7 HD22 LEU 7 3.294 9.293 -3.031 79 HD23 LEU 7 HD23 LEU 7 4.153 10.763 -3.494 80 H ALA 8 H ALA 8 1.234 10.261 1.761 81 HA ALA 8 HA ALA 8 0.830 7.648 2.816 82 HB1 ALA 8 HB1 ALA 8 1.310 8.143 5.171 83 HB2 ALA 8 HB2 ALA 8 1.953 9.721 4.712 84 HB3 ALA 8 HB3 ALA 8 2.769 8.248 4.185 85 H LYS 9 H LYS 9 0.410 11.109 3.429 86 HA LYS 9 HA LYS 9 -2.030 10.952 4.768 87 HB2 LYS 9 HB2 LYS 9 -0.829 13.181 3.130 88 HB3 LYS 9 HB3 LYS 9 -2.295 13.362 4.084 89 HG2 LYS 9 HG2 LYS 9 0.408 12.598 5.179 90 HG3 LYS 9 HG3 LYS 9 -0.311 14.210 5.246 91 HD2 LYS 9 HD2 LYS 9 -1.552 11.735 6.440 92 HD3 LYS 9 HD3 LYS 9 -0.582 12.897 7.346 93 HE2 LYS 9 HE2 LYS 9 -2.179 14.624 7.001 94 HE3 LYS 9 HE3 LYS 9 -3.048 13.668 5.802 95 HZ1 LYS 9 HZ1 LYS 9 -4.073 13.795 8.079 96 HZ2 LYS 9 HZ2 LYS 9 -2.797 12.817 8.627 97 HZ3 LYS 9 HZ3 LYS 9 -3.863 12.234 7.446 98 HA PRO 10 HA PRO 10 -4.400 11.577 0.697 99 HB2 PRO 10 HB2 PRO 10 -3.195 11.537 -1.690 100 HB3 PRO 10 HB3 PRO 10 -3.218 12.995 -0.689 101 HG2 PRO 10 HG2 PRO 10 -1.031 10.971 -1.034 102 HG3 PRO 10 HG3 PRO 10 -0.922 12.741 -1.020 103 HD2 PRO 10 HD2 PRO 10 -0.336 11.188 1.148 104 HD3 PRO 10 HD3 PRO 10 -0.954 12.851 1.271 105 H ALA 11 H ALA 11 -2.214 9.142 1.294 106 HA ALA 11 HA ALA 11 -2.039 6.926 0.829 107 HB1 ALA 11 HB1 ALA 11 -4.341 6.892 1.652 108 HB2 ALA 11 HB2 ALA 11 -4.101 5.697 0.377 109 HB3 ALA 11 HB3 ALA 11 -4.932 7.210 0.020 110 H LEU 12 H LEU 12 -1.274 8.783 -1.179 111 HA LEU 12 HA LEU 12 -2.144 7.786 -3.734 112 HB2 LEU 12 HB2 LEU 12 -1.637 10.146 -3.460 113 HB3 LEU 12 HB3 LEU 12 -0.000 9.766 -2.963 114 HG LEU 12 HG LEU 12 0.415 8.826 -5.239 115 HD11 LEU 12 HD11 LEU 12 -2.279 10.031 -5.842 116 HD12 LEU 12 HD12 LEU 12 -1.883 8.312 -5.852 117 HD13 LEU 12 HD13 LEU 12 -1.146 9.395 -7.033 118 HD21 LEU 12 HD21 LEU 12 -0.499 11.702 -5.184 119 HD22 LEU 12 HD22 LEU 12 0.627 10.982 -6.336 120 HD23 LEU 12 HD23 LEU 12 1.072 11.116 -4.635 121 H LEU 13 H LEU 13 -1.429 5.949 -4.510 122 HA LEU 13 HA LEU 13 -0.063 4.270 -5.192 123 HB2 LEU 13 HB2 LEU 13 2.122 6.310 -4.750 124 HB3 LEU 13 HB3 LEU 13 2.315 4.795 -5.611 125 HG LEU 13 HG LEU 13 0.505 7.056 -6.472 126 HD11 LEU 13 HD11 LEU 13 2.885 7.630 -6.644 127 HD12 LEU 13 HD12 LEU 13 2.136 7.444 -8.230 128 HD13 LEU 13 HD13 LEU 13 3.163 6.165 -7.583 129 HD21 LEU 13 HD21 LEU 13 0.343 5.775 -8.564 130 HD22 LEU 13 HD22 LEU 13 -0.320 4.892 -7.188 131 HD23 LEU 13 HD23 LEU 13 1.271 4.471 -7.822 132 H TRP 14 H TRP 14 -0.734 4.466 -2.392 133 HA TRP 14 HA TRP 14 1.613 4.053 -0.802 134 HB2 TRP 14 HB2 TRP 14 -0.661 5.044 -0.069 135 HB3 TRP 14 HB3 TRP 14 -1.215 3.379 0.006 136 HD1 TRP 14 HD1 TRP 14 2.093 2.899 1.173 137 HE1 TRP 14 HE1 TRP 14 2.301 3.089 3.732 138 HE3 TRP 14 HE3 TRP 14 -2.323 5.279 2.164 139 HZ2 TRP 14 HZ2 TRP 14 0.787 4.121 5.884 140 HZ3 TRP 14 HZ3 TRP 14 -2.865 5.834 4.496 141 HH2 TRP 14 HH2 TRP 14 -1.343 5.267 6.317 142 H LYS 15 H LYS 15 -0.742 2.145 -2.484 143 HA LYS 15 HA LYS 15 -0.085 -0.349 -1.347 144 HB2 LYS 15 HB2 LYS 15 -1.275 0.269 -4.055 145 HB3 LYS 15 HB3 LYS 15 -1.235 -1.322 -3.307 146 HG2 LYS 15 HG2 LYS 15 -2.632 -0.469 -1.469 147 HG3 LYS 15 HG3 LYS 15 -2.709 1.097 -2.279 148 HD2 LYS 15 HD2 LYS 15 -3.737 -0.014 -4.237 149 HD3 LYS 15 HD3 LYS 15 -3.736 -1.535 -3.341 150 HE2 LYS 15 HE2 LYS 15 -5.919 -0.535 -3.188 151 HE3 LYS 15 HE3 LYS 15 -5.139 -0.463 -1.608 152 HZ1 LYS 15 HZ1 LYS 15 -4.571 1.848 -2.030 153 HZ2 LYS 15 HZ2 LYS 15 -6.244 1.622 -2.152 154 HZ3 LYS 15 HZ3 LYS 15 -5.308 1.778 -3.556 155 H ALA 16 H ALA 16 1.465 1.653 -3.638 156 HA ALA 16 HA ALA 16 3.131 -0.543 -4.636 157 HB1 ALA 16 HB1 ALA 16 2.132 0.893 -6.325 158 HB2 ALA 16 HB2 ALA 16 3.888 1.052 -6.332 159 HB3 ALA 16 HB3 ALA 16 2.892 2.307 -5.594 160 H LEU 17 H LEU 17 3.123 1.695 -2.192 161 HA LEU 17 HA LEU 17 5.929 2.389 -2.316 162 HB2 LEU 17 HB2 LEU 17 3.791 2.960 -0.266 163 HB3 LEU 17 HB3 LEU 17 5.456 3.483 -0.101 164 HG LEU 17 HG LEU 17 3.576 4.313 -2.313 165 HD11 LEU 17 HD11 LEU 17 4.584 5.839 0.081 166 HD12 LEU 17 HD12 LEU 17 2.940 5.246 -0.157 167 HD13 LEU 17 HD13 LEU 17 3.593 6.492 -1.222 168 HD21 LEU 17 HD21 LEU 17 5.894 4.257 -3.046 169 HD22 LEU 17 HD22 LEU 17 6.376 5.221 -1.649 170 HD23 LEU 17 HD23 LEU 17 5.332 5.921 -2.887 171 H ALA 18 H ALA 18 4.255 -0.282 -1.493 172 HA ALA 18 HA ALA 18 5.586 -1.119 0.854 173 HB1 ALA 18 HB1 ALA 18 3.496 -2.135 0.079 174 HB2 ALA 18 HB2 ALA 18 4.761 -3.344 0.306 175 HB3 ALA 18 HB3 ALA 18 4.341 -2.797 -1.319 176 H LEU 19 H LEU 19 6.554 -0.760 -2.370 177 HA LEU 19 HA LEU 19 8.956 -2.405 -1.917 178 HB2 LEU 19 HB2 LEU 19 7.812 -1.550 -4.580 179 HB3 LEU 19 HB3 LEU 19 9.153 -2.646 -4.315 180 HG LEU 19 HG LEU 19 6.271 -3.191 -3.589 181 HD11 LEU 19 HD11 LEU 19 8.006 -4.322 -5.780 182 HD12 LEU 19 HD12 LEU 19 6.660 -3.204 -5.996 183 HD13 LEU 19 HD13 LEU 19 6.362 -4.832 -5.391 184 HD21 LEU 19 HD21 LEU 19 7.042 -5.457 -3.100 185 HD22 LEU 19 HD22 LEU 19 7.827 -4.276 -2.051 186 HD23 LEU 19 HD23 LEU 19 8.704 -4.966 -3.417 187 H LYS 20 H LYS 20 8.587 0.266 -0.950 188 HA LYS 20 HA LYS 20 9.639 2.221 -2.683 189 HB2 LYS 20 HB2 LYS 20 9.971 3.583 -0.657 190 HB3 LYS 20 HB3 LYS 20 8.374 2.855 -0.713 191 HG2 LYS 20 HG2 LYS 20 9.052 1.172 0.890 192 HG3 LYS 20 HG3 LYS 20 10.695 1.814 0.901 193 HD2 LYS 20 HD2 LYS 20 9.852 3.942 1.783 194 HD3 LYS 20 HD3 LYS 20 8.210 3.292 1.768 195 HE2 LYS 20 HE2 LYS 20 8.836 1.586 3.373 196 HE3 LYS 20 HE3 LYS 20 10.509 2.139 3.348 197 HZ1 LYS 20 HZ1 LYS 20 9.294 2.952 5.284 198 HZ2 LYS 20 HZ2 LYS 20 8.187 3.747 4.278 199 HZ3 LYS 20 HZ3 LYS 20 9.809 4.235 4.302 200 H LEU 21 H LEU 21 11.202 -0.106 -0.574 201 HA LEU 21 HA LEU 21 13.785 1.169 -1.155 202 HB2 LEU 21 HB2 LEU 21 12.987 -0.805 0.975 203 HB3 LEU 21 HB3 LEU 21 14.651 -0.355 0.659 204 HG LEU 21 HG LEU 21 12.477 1.560 1.507 205 HD11 LEU 21 HD11 LEU 21 14.742 0.342 3.078 206 HD12 LEU 21 HD12 LEU 21 13.024 0.001 3.291 207 HD13 LEU 21 HD13 LEU 21 13.658 1.608 3.653 208 HD21 LEU 21 HD21 LEU 21 14.228 2.597 0.149 209 HD22 LEU 21 HD22 LEU 21 15.456 1.938 1.229 210 HD23 LEU 21 HD23 LEU 21 14.308 3.136 1.825 211 H LYS 22 H LYS 22 11.843 -1.487 -1.947 212 HA LYS 22 HA LYS 22 12.135 -3.406 -3.132 213 HB2 LYS 22 HB2 LYS 22 14.684 -2.047 -4.050 214 HB3 LYS 22 HB3 LYS 22 13.966 -3.465 -4.797 215 HG2 LYS 22 HG2 LYS 22 12.061 -2.211 -5.504 216 HG3 LYS 22 HG3 LYS 22 12.591 -0.798 -4.589 217 HD2 LYS 22 HD2 LYS 22 14.065 -2.042 -6.910 218 HD3 LYS 22 HD3 LYS 22 13.077 -0.581 -6.994 219 HE2 LYS 22 HE2 LYS 22 14.585 0.456 -5.299 220 HE3 LYS 22 HE3 LYS 22 15.605 -0.980 -5.398 221 HZ1 LYS 22 HZ1 LYS 22 14.975 0.827 -7.674 222 HZ2 LYS 22 HZ2 LYS 22 16.004 -0.518 -7.727 223 HZ3 LYS 22 HZ3 LYS 22 16.424 0.831 -6.796 224 H LYS 23 H LYS 23 13.011 -3.278 -0.456 225 HA LYS 23 HA LYS 23 14.208 -4.327 1.141 226 HB2 LYS 23 HB2 LYS 23 14.814 -6.234 -1.119 227 HB3 LYS 23 HB3 LYS 23 15.304 -6.507 0.548 228 HG2 LYS 23 HG2 LYS 23 12.863 -6.303 1.164 229 HG3 LYS 23 HG3 LYS 23 12.522 -6.375 -0.567 230 HD2 LYS 23 HD2 LYS 23 13.533 -8.550 -0.732 231 HD3 LYS 23 HD3 LYS 23 14.091 -8.467 0.940 232 HE2 LYS 23 HE2 LYS 23 11.255 -8.655 -0.047 233 HE3 LYS 23 HE3 LYS 23 12.151 -9.855 0.882 234 HZ1 LYS 23 HZ1 LYS 23 10.763 -8.762 2.406 235 HZ2 LYS 23 HZ2 LYS 23 11.130 -7.229 1.791 236 HZ3 LYS 23 HZ3 LYS 23 12.299 -8.088 2.670 237 H ALA 24 H ALA 24 15.466 -2.347 1.054 238 HA ALA 24 HA ALA 24 18.238 -2.838 0.190 239 HB1 ALA 24 HB1 ALA 24 16.778 -0.200 0.367 240 HB2 ALA 24 HB2 ALA 24 17.221 -1.047 -1.115 241 HB3 ALA 24 HB3 ALA 24 18.476 -0.403 -0.057 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -8.248 14.688 15.279 2 H2 LYS 1 H2 LYS 1 -7.641 15.050 16.821 3 H3 LYS 1 H3 LYS 1 -7.146 15.961 15.477 4 HA LYS 1 HA LYS 1 -9.894 15.851 16.581 5 HB2 LYS 1 HB2 LYS 1 -8.200 17.092 17.957 6 HB3 LYS 1 HB3 LYS 1 -7.907 18.134 16.574 7 HG2 LYS 1 HG2 LYS 1 -9.366 19.291 18.040 8 HG3 LYS 1 HG3 LYS 1 -10.320 18.779 16.647 9 HD2 LYS 1 HD2 LYS 1 -11.325 17.011 17.873 10 HD3 LYS 1 HD3 LYS 1 -10.194 17.204 19.213 11 HE2 LYS 1 HE2 LYS 1 -12.320 18.145 19.835 12 HE3 LYS 1 HE3 LYS 1 -11.150 19.447 19.641 13 HZ1 LYS 1 HZ1 LYS 1 -13.203 18.637 17.653 14 HZ2 LYS 1 HZ2 LYS 1 -12.070 19.878 17.434 15 HZ3 LYS 1 HZ3 LYS 1 -13.259 20.014 18.634 16 H LYS 2 H LYS 2 -7.791 17.905 14.559 17 HA LYS 2 HA LYS 2 -10.024 18.184 12.654 18 HB2 LYS 2 HB2 LYS 2 -7.640 19.991 13.129 19 HB3 LYS 2 HB3 LYS 2 -8.885 20.257 11.916 20 HG2 LYS 2 HG2 LYS 2 -10.537 20.655 13.555 21 HG3 LYS 2 HG3 LYS 2 -9.497 20.058 14.849 22 HD2 LYS 2 HD2 LYS 2 -9.568 22.469 14.929 23 HD3 LYS 2 HD3 LYS 2 -7.958 21.944 14.435 24 HE2 LYS 2 HE2 LYS 2 -8.579 22.368 12.083 25 HE3 LYS 2 HE3 LYS 2 -10.144 22.972 12.631 26 HZ1 LYS 2 HZ1 LYS 2 -7.495 24.121 13.336 27 HZ2 LYS 2 HZ2 LYS 2 -8.990 24.693 13.890 28 HZ3 LYS 2 HZ3 LYS 2 -8.606 24.786 12.241 29 H LEU 3 H LEU 3 -9.798 17.465 10.628 30 HA LEU 3 HA LEU 3 -8.951 16.477 8.778 31 HB2 LEU 3 HB2 LEU 3 -6.459 17.778 9.803 32 HB3 LEU 3 HB3 LEU 3 -6.364 16.650 8.467 33 HG LEU 3 HG LEU 3 -8.005 18.088 7.231 34 HD11 LEU 3 HD11 LEU 3 -9.026 19.221 9.117 35 HD12 LEU 3 HD12 LEU 3 -8.329 20.389 7.995 36 HD13 LEU 3 HD13 LEU 3 -7.493 20.005 9.500 37 HD21 LEU 3 HD21 LEU 3 -6.369 19.798 6.629 38 HD22 LEU 3 HD22 LEU 3 -5.609 18.214 6.791 39 HD23 LEU 3 HD23 LEU 3 -5.430 19.414 8.071 40 H LYS 4 H LYS 4 -9.066 14.390 8.652 41 HA LYS 4 HA LYS 4 -7.448 12.747 10.481 42 HB2 LYS 4 HB2 LYS 4 -10.035 12.142 9.038 43 HB3 LYS 4 HB3 LYS 4 -9.137 10.971 9.996 44 HG2 LYS 4 HG2 LYS 4 -9.540 12.145 11.998 45 HG3 LYS 4 HG3 LYS 4 -10.111 13.573 11.138 46 HD2 LYS 4 HD2 LYS 4 -11.490 10.891 11.121 47 HD3 LYS 4 HD3 LYS 4 -11.933 12.241 12.170 48 HE2 LYS 4 HE2 LYS 4 -12.322 13.618 10.148 49 HE3 LYS 4 HE3 LYS 4 -11.998 12.200 9.152 50 HZ1 LYS 4 HZ1 LYS 4 -14.350 12.479 9.424 51 HZ2 LYS 4 HZ2 LYS 4 -14.207 12.527 11.111 52 HZ3 LYS 4 HZ3 LYS 4 -13.871 11.089 10.274 53 H LEU 5 H LEU 5 -5.608 12.278 9.455 54 HA LEU 5 HA LEU 5 -5.467 12.052 6.594 55 HB2 LEU 5 HB2 LEU 5 -3.387 11.547 8.720 56 HB3 LEU 5 HB3 LEU 5 -3.068 11.596 6.998 57 HG LEU 5 HG LEU 5 -4.062 13.917 8.656 58 HD11 LEU 5 HD11 LEU 5 -1.350 13.353 7.463 59 HD12 LEU 5 HD12 LEU 5 -1.759 13.353 9.179 60 HD13 LEU 5 HD13 LEU 5 -1.831 14.853 8.253 61 HD21 LEU 5 HD21 LEU 5 -3.618 15.240 6.640 62 HD22 LEU 5 HD22 LEU 5 -4.867 14.024 6.366 63 HD23 LEU 5 HD23 LEU 5 -3.231 13.762 5.761 64 H ALA 6 H ALA 6 -7.157 10.226 6.852 65 HA ALA 6 HA ALA 6 -5.659 7.710 6.573 66 HB1 ALA 6 HB1 ALA 6 -7.490 6.470 7.616 67 HB2 ALA 6 HB2 ALA 6 -8.351 7.980 7.921 68 HB3 ALA 6 HB3 ALA 6 -6.818 7.658 8.733 69 H LEU 7 H LEU 7 -7.979 9.920 5.420 70 HA LEU 7 HA LEU 7 -9.028 8.022 3.458 71 HB2 LEU 7 HB2 LEU 7 -9.906 10.837 4.126 72 HB3 LEU 7 HB3 LEU 7 -10.649 9.826 2.905 73 HG LEU 7 HG LEU 7 -12.100 9.671 4.713 74 HD11 LEU 7 HD11 LEU 7 -11.915 7.393 5.564 75 HD12 LEU 7 HD12 LEU 7 -10.252 7.311 4.981 76 HD13 LEU 7 HD13 LEU 7 -11.581 7.480 3.833 77 HD21 LEU 7 HD21 LEU 7 -9.713 9.355 6.527 78 HD22 LEU 7 HD22 LEU 7 -11.399 9.266 7.034 79 HD23 LEU 7 HD23 LEU 7 -10.753 10.775 6.387 80 H ALA 8 H ALA 8 -6.645 8.205 2.707 81 HA ALA 8 HA ALA 8 -6.509 9.586 0.282 82 HB1 ALA 8 HB1 ALA 8 -4.805 11.282 0.778 83 HB2 ALA 8 HB2 ALA 8 -4.939 10.905 2.496 84 HB3 ALA 8 HB3 ALA 8 -6.312 11.603 1.638 85 H LYS 9 H LYS 9 -4.355 8.742 2.989 86 HA LYS 9 HA LYS 9 -2.111 8.125 1.483 87 HB2 LYS 9 HB2 LYS 9 -1.992 8.523 3.868 88 HB3 LYS 9 HB3 LYS 9 -2.921 7.065 4.187 89 HG2 LYS 9 HG2 LYS 9 -1.147 5.664 3.496 90 HG3 LYS 9 HG3 LYS 9 -0.263 7.018 2.792 91 HD2 LYS 9 HD2 LYS 9 -0.858 6.669 5.729 92 HD3 LYS 9 HD3 LYS 9 0.682 6.300 4.947 93 HE2 LYS 9 HE2 LYS 9 -0.650 9.006 5.052 94 HE3 LYS 9 HE3 LYS 9 0.724 8.496 6.031 95 HZ1 LYS 9 HZ1 LYS 9 1.332 9.846 4.070 96 HZ2 LYS 9 HZ2 LYS 9 0.752 8.615 3.057 97 HZ3 LYS 9 HZ3 LYS 9 2.073 8.321 4.084 98 HA PRO 10 HA PRO 10 -3.366 3.360 1.824 99 HB2 PRO 10 HB2 PRO 10 -6.311 3.730 1.598 100 HB3 PRO 10 HB3 PRO 10 -5.394 2.513 2.492 101 HG2 PRO 10 HG2 PRO 10 -6.558 4.529 3.770 102 HG3 PRO 10 HG3 PRO 10 -4.955 3.952 4.259 103 HD2 PRO 10 HD2 PRO 10 -5.697 6.397 2.708 104 HD3 PRO 10 HD3 PRO 10 -4.428 6.173 3.930 105 H ALA 11 H ALA 11 -5.005 5.823 -0.030 106 HA ALA 11 HA ALA 11 -5.131 4.075 -2.377 107 HB1 ALA 11 HB1 ALA 11 -6.221 6.860 -1.992 108 HB2 ALA 11 HB2 ALA 11 -7.138 5.364 -1.819 109 HB3 ALA 11 HB3 ALA 11 -6.488 5.821 -3.393 110 H LEU 12 H LEU 12 -3.770 7.168 -1.310 111 HA LEU 12 HA LEU 12 -2.424 7.532 -3.862 112 HB2 LEU 12 HB2 LEU 12 -3.574 9.340 -2.374 113 HB3 LEU 12 HB3 LEU 12 -2.078 9.304 -1.467 114 HG LEU 12 HG LEU 12 -2.205 11.146 -3.133 115 HD11 LEU 12 HD11 LEU 12 0.025 10.827 -4.085 116 HD12 LEU 12 HD12 LEU 12 -0.036 9.120 -3.643 117 HD13 LEU 12 HD13 LEU 12 -0.033 10.355 -2.386 118 HD21 LEU 12 HD21 LEU 12 -2.106 8.903 -5.143 119 HD22 LEU 12 HD22 LEU 12 -1.969 10.624 -5.506 120 HD23 LEU 12 HD23 LEU 12 -3.474 9.977 -4.852 121 H LEU 13 H LEU 13 -0.865 6.015 -3.985 122 HA LEU 13 HA LEU 13 1.215 5.158 -3.834 123 HB2 LEU 13 HB2 LEU 13 1.797 7.586 -3.920 124 HB3 LEU 13 HB3 LEU 13 1.862 7.586 -2.167 125 HG LEU 13 HG LEU 13 3.705 5.942 -2.245 126 HD11 LEU 13 HD11 LEU 13 3.169 4.844 -4.333 127 HD12 LEU 13 HD12 LEU 13 4.813 5.482 -4.384 128 HD13 LEU 13 HD13 LEU 13 3.513 6.325 -5.226 129 HD21 LEU 13 HD21 LEU 13 4.149 8.448 -3.865 130 HD22 LEU 13 HD22 LEU 13 5.417 7.476 -3.117 131 HD23 LEU 13 HD23 LEU 13 4.231 8.304 -2.109 132 H TRP 14 H TRP 14 -0.181 3.696 -2.386 133 HA TRP 14 HA TRP 14 1.240 3.408 0.179 134 HB2 TRP 14 HB2 TRP 14 -1.078 3.872 0.653 135 HB3 TRP 14 HB3 TRP 14 -1.614 2.686 -0.529 136 HD1 TRP 14 HD1 TRP 14 0.190 2.808 2.891 137 HE1 TRP 14 HE1 TRP 14 -0.356 0.626 4.151 138 HE3 TRP 14 HE3 TRP 14 -2.453 0.408 -0.765 139 HZ2 TRP 14 HZ2 TRP 14 -1.730 -1.782 3.654 140 HZ3 TRP 14 HZ3 TRP 14 -3.353 -1.832 -0.290 141 HH2 TRP 14 HH2 TRP 14 -2.998 -2.902 1.872 142 H LYS 15 H LYS 15 -0.526 1.586 -2.312 143 HA LYS 15 HA LYS 15 0.524 -0.946 -1.649 144 HB2 LYS 15 HB2 LYS 15 -1.539 -0.344 -3.076 145 HB3 LYS 15 HB3 LYS 15 -0.403 -0.148 -4.404 146 HG2 LYS 15 HG2 LYS 15 -1.261 -2.324 -4.606 147 HG3 LYS 15 HG3 LYS 15 0.353 -2.517 -3.917 148 HD2 LYS 15 HD2 LYS 15 -0.561 -2.816 -1.716 149 HD3 LYS 15 HD3 LYS 15 -2.186 -2.437 -2.295 150 HE2 LYS 15 HE2 LYS 15 -2.008 -4.435 -3.805 151 HE3 LYS 15 HE3 LYS 15 -0.511 -4.849 -2.970 152 HZ1 LYS 15 HZ1 LYS 15 -1.730 -5.011 -0.901 153 HZ2 LYS 15 HZ2 LYS 15 -2.426 -6.030 -2.066 154 HZ3 LYS 15 HZ3 LYS 15 -3.170 -4.557 -1.677 155 H ALA 16 H ALA 16 1.381 1.389 -4.176 156 HA ALA 16 HA ALA 16 3.568 -0.175 -5.163 157 HB1 ALA 16 HB1 ALA 16 2.302 1.334 -6.611 158 HB2 ALA 16 HB2 ALA 16 4.020 1.737 -6.600 159 HB3 ALA 16 HB3 ALA 16 2.877 2.715 -5.678 160 H LEU 17 H LEU 17 3.208 1.963 -2.532 161 HA LEU 17 HA LEU 17 5.950 2.900 -2.566 162 HB2 LEU 17 HB2 LEU 17 4.103 4.345 -1.766 163 HB3 LEU 17 HB3 LEU 17 3.810 3.216 -0.457 164 HG LEU 17 HG LEU 17 6.103 3.670 0.394 165 HD11 LEU 17 HD11 LEU 17 6.112 5.803 -1.739 166 HD12 LEU 17 HD12 LEU 17 7.153 4.380 -1.678 167 HD13 LEU 17 HD13 LEU 17 7.298 5.632 -0.445 168 HD21 LEU 17 HD21 LEU 17 4.175 4.831 1.321 169 HD22 LEU 17 HD22 LEU 17 4.327 6.086 0.093 170 HD23 LEU 17 HD23 LEU 17 5.595 5.876 1.299 171 H ALA 18 H ALA 18 4.002 0.450 -1.141 172 HA ALA 18 HA ALA 18 5.637 -0.228 1.043 173 HB1 ALA 18 HB1 ALA 18 3.646 -1.928 -0.452 174 HB2 ALA 18 HB2 ALA 18 3.289 -0.864 0.908 175 HB3 ALA 18 HB3 ALA 18 4.313 -2.279 1.143 176 H LEU 19 H LEU 19 5.998 -0.788 -2.300 177 HA LEU 19 HA LEU 19 7.952 -2.913 -1.781 178 HB2 LEU 19 HB2 LEU 19 7.846 -3.397 -4.184 179 HB3 LEU 19 HB3 LEU 19 6.287 -3.548 -3.403 180 HG LEU 19 HG LEU 19 6.036 -1.046 -4.295 181 HD11 LEU 19 HD11 LEU 19 7.888 -2.352 -6.283 182 HD12 LEU 19 HD12 LEU 19 8.261 -0.951 -5.278 183 HD13 LEU 19 HD13 LEU 19 7.014 -0.838 -6.521 184 HD21 LEU 19 HD21 LEU 19 4.520 -2.886 -4.755 185 HD22 LEU 19 HD22 LEU 19 5.643 -3.530 -5.953 186 HD23 LEU 19 HD23 LEU 19 4.859 -1.973 -6.225 187 H LYS 20 H LYS 20 7.569 0.328 -3.016 188 HA LYS 20 HA LYS 20 10.169 0.595 -4.131 189 HB2 LYS 20 HB2 LYS 20 8.010 2.505 -3.328 190 HB3 LYS 20 HB3 LYS 20 9.617 3.128 -3.670 191 HG2 LYS 20 HG2 LYS 20 9.507 2.072 -5.905 192 HG3 LYS 20 HG3 LYS 20 7.848 1.580 -5.547 193 HD2 LYS 20 HD2 LYS 20 7.079 3.797 -5.485 194 HD3 LYS 20 HD3 LYS 20 8.712 4.450 -5.337 195 HE2 LYS 20 HE2 LYS 20 7.910 4.862 -7.561 196 HE3 LYS 20 HE3 LYS 20 9.187 3.653 -7.633 197 HZ1 LYS 20 HZ1 LYS 20 7.445 1.934 -7.752 198 HZ2 LYS 20 HZ2 LYS 20 7.393 3.014 -9.057 199 HZ3 LYS 20 HZ3 LYS 20 6.264 3.153 -7.800 200 H LEU 21 H LEU 21 8.786 1.859 -1.098 201 HA LEU 21 HA LEU 21 11.533 2.096 -0.068 202 HB2 LEU 21 HB2 LEU 21 9.021 3.525 0.819 203 HB3 LEU 21 HB3 LEU 21 10.615 3.740 1.521 204 HG LEU 21 HG LEU 21 9.803 4.467 -1.299 205 HD11 LEU 21 HD11 LEU 21 10.512 6.177 1.083 206 HD12 LEU 21 HD12 LEU 21 8.905 5.981 0.385 207 HD13 LEU 21 HD13 LEU 21 10.180 6.765 -0.547 208 HD21 LEU 21 HD21 LEU 21 12.441 4.833 0.119 209 HD22 LEU 21 HD22 LEU 21 12.040 5.419 -1.496 210 HD23 LEU 21 HD23 LEU 21 12.121 3.684 -1.180 211 H LYS 22 H LYS 22 9.503 -0.174 -0.139 212 HA LYS 22 HA LYS 22 8.913 -1.948 1.118 213 HB2 LYS 22 HB2 LYS 22 11.201 -0.882 2.759 214 HB3 LYS 22 HB3 LYS 22 10.335 -2.346 3.207 215 HG2 LYS 22 HG2 LYS 22 10.924 -3.331 1.032 216 HG3 LYS 22 HG3 LYS 22 11.841 -1.875 0.641 217 HD2 LYS 22 HD2 LYS 22 13.329 -2.266 2.505 218 HD3 LYS 22 HD3 LYS 22 12.372 -3.658 3.016 219 HE2 LYS 22 HE2 LYS 22 14.374 -4.363 1.818 220 HE3 LYS 22 HE3 LYS 22 12.914 -4.807 0.937 221 HZ1 LYS 22 HZ1 LYS 22 14.500 -2.370 0.338 222 HZ2 LYS 22 HZ2 LYS 22 13.255 -3.051 -0.592 223 HZ3 LYS 22 HZ3 LYS 22 14.738 -3.855 -0.443 224 H LYS 23 H LYS 23 9.047 -2.131 4.010 225 HA LYS 23 HA LYS 23 7.728 -1.862 5.808 226 HB2 LYS 23 HB2 LYS 23 8.459 0.503 5.723 227 HB3 LYS 23 HB3 LYS 23 7.093 0.875 4.679 228 HG2 LYS 23 HG2 LYS 23 6.740 1.490 7.050 229 HG3 LYS 23 HG3 LYS 23 5.539 0.355 6.429 230 HD2 LYS 23 HD2 LYS 23 6.872 -1.497 7.428 231 HD3 LYS 23 HD3 LYS 23 7.920 -0.284 8.166 232 HE2 LYS 23 HE2 LYS 23 6.135 0.565 9.489 233 HE3 LYS 23 HE3 LYS 23 4.947 -0.391 8.599 234 HZ1 LYS 23 HZ1 LYS 23 7.125 -1.528 10.264 235 HZ2 LYS 23 HZ2 LYS 23 5.897 -2.396 9.475 236 HZ3 LYS 23 HZ3 LYS 23 5.512 -1.365 10.762 237 H ALA 24 H ALA 24 6.565 -3.565 4.637 238 HA ALA 24 HA ALA 24 3.792 -2.701 4.159 239 HB1 ALA 24 HB1 ALA 24 5.221 -4.992 2.808 240 HB2 ALA 24 HB2 ALA 24 4.815 -3.445 2.064 241 HB3 ALA 24 HB3 ALA 24 3.531 -4.539 2.575 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -1.642 17.158 2.661 2 H2 LYS 1 H2 LYS 1 -0.481 18.126 3.429 3 H3 LYS 1 H3 LYS 1 -0.332 16.437 3.461 4 HA LYS 1 HA LYS 1 -0.223 18.110 1.020 5 HB2 LYS 1 HB2 LYS 1 1.706 18.500 2.496 6 HB3 LYS 1 HB3 LYS 1 2.011 16.772 2.565 7 HG2 LYS 1 HG2 LYS 1 3.552 17.815 1.042 8 HG3 LYS 1 HG3 LYS 1 2.448 16.770 0.148 9 HD2 LYS 1 HD2 LYS 1 1.139 18.687 -0.541 10 HD3 LYS 1 HD3 LYS 1 2.160 19.762 0.420 11 HE2 LYS 1 HE2 LYS 1 4.082 19.199 -0.968 12 HE3 LYS 1 HE3 LYS 1 3.099 18.069 -1.896 13 HZ1 LYS 1 HZ1 LYS 1 2.692 21.008 -1.746 14 HZ2 LYS 1 HZ2 LYS 1 1.725 19.926 -2.620 15 HZ3 LYS 1 HZ3 LYS 1 3.348 20.158 -3.057 16 H LYS 2 H LYS 2 0.833 14.954 2.345 17 HA LYS 2 HA LYS 2 0.829 13.809 -0.298 18 HB2 LYS 2 HB2 LYS 2 1.258 12.461 2.377 19 HB3 LYS 2 HB3 LYS 2 1.563 11.744 0.802 20 HG2 LYS 2 HG2 LYS 2 3.673 12.368 1.431 21 HG3 LYS 2 HG3 LYS 2 3.170 13.781 0.504 22 HD2 LYS 2 HD2 LYS 2 2.574 14.932 2.570 23 HD3 LYS 2 HD3 LYS 2 3.034 13.508 3.505 24 HE2 LYS 2 HE2 LYS 2 5.341 13.736 2.631 25 HE3 LYS 2 HE3 LYS 2 4.849 15.219 1.808 26 HZ1 LYS 2 HZ1 LYS 2 5.894 15.770 3.874 27 HZ2 LYS 2 HZ2 LYS 2 4.874 14.733 4.741 28 HZ3 LYS 2 HZ3 LYS 2 4.245 16.127 4.007 29 H LEU 3 H LEU 3 -1.321 13.886 2.434 30 HA LEU 3 HA LEU 3 -2.803 11.565 1.959 31 HB2 LEU 3 HB2 LEU 3 -3.641 14.179 3.200 32 HB3 LEU 3 HB3 LEU 3 -4.615 12.722 3.238 33 HG LEU 3 HG LEU 3 -1.881 13.034 4.478 34 HD11 LEU 3 HD11 LEU 3 -3.078 12.887 6.604 35 HD12 LEU 3 HD12 LEU 3 -4.614 12.865 5.739 36 HD13 LEU 3 HD13 LEU 3 -3.582 14.295 5.671 37 HD21 LEU 3 HD21 LEU 3 -2.295 10.759 3.697 38 HD22 LEU 3 HD22 LEU 3 -3.824 10.730 4.572 39 HD23 LEU 3 HD23 LEU 3 -2.304 10.842 5.457 40 H LYS 4 H LYS 4 -2.908 14.643 0.352 41 HA LYS 4 HA LYS 4 -5.418 13.955 -0.971 42 HB2 LYS 4 HB2 LYS 4 -3.830 16.463 -0.674 43 HB3 LYS 4 HB3 LYS 4 -4.882 16.304 -2.075 44 HG2 LYS 4 HG2 LYS 4 -6.029 17.464 -0.296 45 HG3 LYS 4 HG3 LYS 4 -6.792 15.904 -0.588 46 HD2 LYS 4 HD2 LYS 4 -5.458 14.996 1.333 47 HD3 LYS 4 HD3 LYS 4 -4.941 16.646 1.671 48 HE2 LYS 4 HE2 LYS 4 -7.786 15.641 1.659 49 HE3 LYS 4 HE3 LYS 4 -6.819 16.010 3.086 50 HZ1 LYS 4 HZ1 LYS 4 -6.688 18.317 2.325 51 HZ2 LYS 4 HZ2 LYS 4 -8.291 17.827 2.593 52 HZ3 LYS 4 HZ3 LYS 4 -7.694 17.946 1.011 53 H LEU 5 H LEU 5 -2.440 12.971 -1.418 54 HA LEU 5 HA LEU 5 -2.606 13.142 -4.356 55 HB2 LEU 5 HB2 LEU 5 -0.130 12.861 -2.648 56 HB3 LEU 5 HB3 LEU 5 -0.158 12.896 -4.400 57 HG LEU 5 HG LEU 5 -0.946 15.181 -2.585 58 HD11 LEU 5 HD11 LEU 5 1.078 16.250 -3.406 59 HD12 LEU 5 HD12 LEU 5 1.472 14.812 -4.345 60 HD13 LEU 5 HD13 LEU 5 1.457 14.736 -2.583 61 HD21 LEU 5 HD21 LEU 5 -2.220 15.185 -4.667 62 HD22 LEU 5 HD22 LEU 5 -0.721 15.054 -5.590 63 HD23 LEU 5 HD23 LEU 5 -1.047 16.503 -4.636 64 H ALA 6 H ALA 6 -3.083 11.172 -1.815 65 HA ALA 6 HA ALA 6 -1.651 8.826 -2.527 66 HB1 ALA 6 HB1 ALA 6 -2.442 9.280 -0.235 67 HB2 ALA 6 HB2 ALA 6 -2.967 7.706 -0.834 68 HB3 ALA 6 HB3 ALA 6 -4.103 9.054 -0.784 69 H LEU 7 H LEU 7 -4.944 9.940 -3.155 70 HA LEU 7 HA LEU 7 -5.628 7.474 -4.520 71 HB2 LEU 7 HB2 LEU 7 -7.226 8.809 -3.090 72 HB3 LEU 7 HB3 LEU 7 -7.236 10.024 -4.351 73 HG LEU 7 HG LEU 7 -8.151 8.352 -5.930 74 HD11 LEU 7 HD11 LEU 7 -9.010 6.232 -5.084 75 HD12 LEU 7 HD12 LEU 7 -8.318 6.577 -3.498 76 HD13 LEU 7 HD13 LEU 7 -7.260 6.334 -4.889 77 HD21 LEU 7 HD21 LEU 7 -9.724 8.727 -3.387 78 HD22 LEU 7 HD22 LEU 7 -10.399 8.257 -4.948 79 HD23 LEU 7 HD23 LEU 7 -9.654 9.845 -4.751 80 H ALA 8 H ALA 8 -3.466 9.227 -5.527 81 HA ALA 8 HA ALA 8 -4.463 9.542 -8.256 82 HB1 ALA 8 HB1 ALA 8 -2.915 11.676 -6.794 83 HB2 ALA 8 HB2 ALA 8 -4.620 11.749 -7.241 84 HB3 ALA 8 HB3 ALA 8 -3.380 11.717 -8.495 85 H LYS 9 H LYS 9 -1.478 9.976 -6.304 86 HA LYS 9 HA LYS 9 0.148 9.355 -8.575 87 HB2 LYS 9 HB2 LYS 9 0.909 10.974 -6.936 88 HB3 LYS 9 HB3 LYS 9 0.897 9.748 -5.679 89 HG2 LYS 9 HG2 LYS 9 2.710 8.582 -6.685 90 HG3 LYS 9 HG3 LYS 9 2.634 9.595 -8.128 91 HD2 LYS 9 HD2 LYS 9 3.307 10.559 -5.348 92 HD3 LYS 9 HD3 LYS 9 4.477 10.246 -6.632 93 HE2 LYS 9 HE2 LYS 9 3.375 11.940 -8.023 94 HE3 LYS 9 HE3 LYS 9 2.249 12.275 -6.710 95 HZ1 LYS 9 HZ1 LYS 9 5.194 12.653 -6.615 96 HZ2 LYS 9 HZ2 LYS 9 4.120 12.965 -5.338 97 HZ3 LYS 9 HZ3 LYS 9 4.032 13.882 -6.763 98 HA PRO 10 HA PRO 10 1.119 5.234 -6.274 99 HB2 PRO 10 HB2 PRO 10 -0.938 5.006 -4.185 100 HB3 PRO 10 HB3 PRO 10 0.806 4.746 -4.075 101 HG2 PRO 10 HG2 PRO 10 -0.377 6.883 -2.946 102 HG3 PRO 10 HG3 PRO 10 1.248 6.973 -3.654 103 HD2 PRO 10 HD2 PRO 10 -1.376 7.862 -4.803 104 HD3 PRO 10 HD3 PRO 10 0.203 8.680 -4.833 105 H ALA 11 H ALA 11 -2.055 6.468 -6.728 106 HA ALA 11 HA ALA 11 -3.892 5.757 -7.842 107 HB1 ALA 11 HB1 ALA 11 -3.709 3.933 -9.454 108 HB2 ALA 11 HB2 ALA 11 -2.137 3.492 -8.782 109 HB3 ALA 11 HB3 ALA 11 -2.348 5.047 -9.589 110 H LEU 12 H LEU 12 -2.650 4.318 -5.265 111 HA LEU 12 HA LEU 12 -4.998 2.656 -4.804 112 HB2 LEU 12 HB2 LEU 12 -2.142 1.768 -4.355 113 HB3 LEU 12 HB3 LEU 12 -3.547 0.922 -3.743 114 HG LEU 12 HG LEU 12 -2.939 1.333 -6.676 115 HD11 LEU 12 HD11 LEU 12 -2.366 -1.039 -6.689 116 HD12 LEU 12 HD12 LEU 12 -2.627 -1.124 -4.947 117 HD13 LEU 12 HD13 LEU 12 -1.310 -0.145 -5.595 118 HD21 LEU 12 HD21 LEU 12 -5.018 -0.344 -5.271 119 HD22 LEU 12 HD22 LEU 12 -4.714 -0.320 -7.009 120 HD23 LEU 12 HD23 LEU 12 -5.319 1.125 -6.200 121 H LEU 13 H LEU 13 -4.497 1.788 -2.281 122 HA LEU 13 HA LEU 13 -4.814 4.099 -0.706 123 HB2 LEU 13 HB2 LEU 13 -5.629 1.819 -0.122 124 HB3 LEU 13 HB3 LEU 13 -3.974 1.343 0.199 125 HG LEU 13 HG LEU 13 -3.851 2.947 2.044 126 HD11 LEU 13 HD11 LEU 13 -5.397 4.617 1.151 127 HD12 LEU 13 HD12 LEU 13 -5.838 4.139 2.791 128 HD13 LEU 13 HD13 LEU 13 -6.745 3.511 1.413 129 HD21 LEU 13 HD21 LEU 13 -5.389 1.808 3.562 130 HD22 LEU 13 HD22 LEU 13 -4.589 0.663 2.484 131 HD23 LEU 13 HD23 LEU 13 -6.262 1.136 2.184 132 H TRP 14 H TRP 14 -2.074 1.801 -0.699 133 HA TRP 14 HA TRP 14 -0.155 3.910 -0.871 134 HB2 TRP 14 HB2 TRP 14 1.020 3.233 1.304 135 HB3 TRP 14 HB3 TRP 14 -0.408 4.245 1.451 136 HD1 TRP 14 HD1 TRP 14 -0.021 0.364 1.307 137 HE1 TRP 14 HE1 TRP 14 -1.320 -0.622 3.305 138 HE3 TRP 14 HE3 TRP 14 -1.632 4.717 3.443 139 HZ2 TRP 14 HZ2 TRP 14 -2.809 0.332 5.499 140 HZ3 TRP 14 HZ3 TRP 14 -2.989 4.593 5.493 141 HH2 TRP 14 HH2 TRP 14 -3.565 2.444 6.497 142 H LYS 15 H LYS 15 -0.901 1.485 -2.242 143 HA LYS 15 HA LYS 15 1.301 -0.351 -1.646 144 HB2 LYS 15 HB2 LYS 15 -1.161 -0.736 -3.353 145 HB3 LYS 15 HB3 LYS 15 0.050 -1.968 -3.022 146 HG2 LYS 15 HG2 LYS 15 -0.527 -1.985 -0.691 147 HG3 LYS 15 HG3 LYS 15 -1.628 -0.621 -0.913 148 HD2 LYS 15 HD2 LYS 15 -3.016 -1.990 -2.395 149 HD3 LYS 15 HD3 LYS 15 -1.910 -3.346 -2.175 150 HE2 LYS 15 HE2 LYS 15 -2.437 -3.445 0.179 151 HE3 LYS 15 HE3 LYS 15 -3.458 -2.015 0.046 152 HZ1 LYS 15 HZ1 LYS 15 -4.721 -4.117 0.062 153 HZ2 LYS 15 HZ2 LYS 15 -3.957 -4.576 -1.381 154 HZ3 LYS 15 HZ3 LYS 15 -4.970 -3.218 -1.353 155 H ALA 16 H ALA 16 2.305 1.826 -2.785 156 HA ALA 16 HA ALA 16 2.782 0.987 -5.574 157 HB1 ALA 16 HB1 ALA 16 1.591 3.120 -5.497 158 HB2 ALA 16 HB2 ALA 16 3.219 3.308 -6.150 159 HB3 ALA 16 HB3 ALA 16 2.874 3.800 -4.492 160 H LEU 17 H LEU 17 4.241 2.802 -2.876 161 HA LEU 17 HA LEU 17 6.886 1.894 -3.775 162 HB2 LEU 17 HB2 LEU 17 6.111 3.996 -1.752 163 HB3 LEU 17 HB3 LEU 17 7.758 3.571 -2.174 164 HG LEU 17 HG LEU 17 5.722 4.799 -4.030 165 HD11 LEU 17 HD11 LEU 17 7.193 6.753 -3.942 166 HD12 LEU 17 HD12 LEU 17 8.202 5.932 -2.752 167 HD13 LEU 17 HD13 LEU 17 6.539 6.354 -2.352 168 HD21 LEU 17 HD21 LEU 17 8.625 4.114 -4.493 169 HD22 LEU 17 HD22 LEU 17 7.572 4.973 -5.620 170 HD23 LEU 17 HD23 LEU 17 7.241 3.288 -5.213 171 H ALA 18 H ALA 18 4.646 0.537 -2.031 172 HA ALA 18 HA ALA 18 5.650 0.264 0.585 173 HB1 ALA 18 HB1 ALA 18 4.081 -1.571 0.816 174 HB2 ALA 18 HB2 ALA 18 3.873 -1.644 -0.934 175 HB3 ALA 18 HB3 ALA 18 3.324 -0.226 -0.039 176 H LEU 19 H LEU 19 6.365 -1.423 -2.386 177 HA LEU 19 HA LEU 19 7.590 -3.714 -1.354 178 HB2 LEU 19 HB2 LEU 19 7.001 -3.393 -3.726 179 HB3 LEU 19 HB3 LEU 19 8.285 -2.209 -3.878 180 HG LEU 19 HG LEU 19 9.943 -3.966 -3.367 181 HD11 LEU 19 HD11 LEU 19 7.560 -5.813 -3.452 182 HD12 LEU 19 HD12 LEU 19 8.540 -5.441 -2.033 183 HD13 LEU 19 HD13 LEU 19 9.249 -6.315 -3.391 184 HD21 LEU 19 HD21 LEU 19 9.419 -3.433 -5.683 185 HD22 LEU 19 HD22 LEU 19 8.090 -4.592 -5.664 186 HD23 LEU 19 HD23 LEU 19 9.753 -5.155 -5.502 187 H LYS 20 H LYS 20 9.019 -0.540 -2.147 188 HA LYS 20 HA LYS 20 11.567 -1.439 -1.057 189 HB2 LYS 20 HB2 LYS 20 11.375 -0.027 -3.171 190 HB3 LYS 20 HB3 LYS 20 10.954 1.319 -2.119 191 HG2 LYS 20 HG2 LYS 20 13.088 1.063 -0.947 192 HG3 LYS 20 HG3 LYS 20 13.515 -0.266 -2.025 193 HD2 LYS 20 HD2 LYS 20 13.326 1.309 -3.941 194 HD3 LYS 20 HD3 LYS 20 13.050 2.615 -2.785 195 HE2 LYS 20 HE2 LYS 20 15.503 0.864 -2.920 196 HE3 LYS 20 HE3 LYS 20 15.387 2.523 -3.508 197 HZ1 LYS 20 HZ1 LYS 20 15.025 1.679 -0.677 198 HZ2 LYS 20 HZ2 LYS 20 14.981 3.273 -1.258 199 HZ3 LYS 20 HZ3 LYS 20 16.426 2.388 -1.318 200 H LEU 21 H LEU 21 8.768 0.244 -0.054 201 HA LEU 21 HA LEU 21 9.845 1.758 2.064 202 HB2 LEU 21 HB2 LEU 21 7.529 1.998 1.223 203 HB3 LEU 21 HB3 LEU 21 7.143 0.416 1.870 204 HG LEU 21 HG LEU 21 7.604 1.274 4.153 205 HD11 LEU 21 HD11 LEU 21 7.878 3.914 2.727 206 HD12 LEU 21 HD12 LEU 21 9.142 3.057 3.611 207 HD13 LEU 21 HD13 LEU 21 7.746 3.707 4.473 208 HD21 LEU 21 HD21 LEU 21 5.328 1.218 3.270 209 HD22 LEU 21 HD22 LEU 21 5.548 2.826 2.583 210 HD23 LEU 21 HD23 LEU 21 5.564 2.604 4.333 211 H LYS 22 H LYS 22 8.893 -1.602 1.731 212 HA LYS 22 HA LYS 22 9.747 -2.165 4.464 213 HB2 LYS 22 HB2 LYS 22 8.477 -3.897 2.342 214 HB3 LYS 22 HB3 LYS 22 9.023 -4.509 3.895 215 HG2 LYS 22 HG2 LYS 22 6.899 -2.410 3.482 216 HG3 LYS 22 HG3 LYS 22 6.626 -4.105 3.893 217 HD2 LYS 22 HD2 LYS 22 7.948 -3.753 5.967 218 HD3 LYS 22 HD3 LYS 22 8.040 -2.035 5.571 219 HE2 LYS 22 HE2 LYS 22 6.256 -2.384 7.150 220 HE3 LYS 22 HE3 LYS 22 5.563 -1.946 5.588 221 HZ1 LYS 22 HZ1 LYS 22 4.390 -3.792 6.669 222 HZ2 LYS 22 HZ2 LYS 22 5.804 -4.726 6.617 223 HZ3 LYS 22 HZ3 LYS 22 5.049 -4.251 5.174 224 H LYS 23 H LYS 23 11.703 -1.253 2.635 225 HA LYS 23 HA LYS 23 13.383 -3.639 2.398 226 HB2 LYS 23 HB2 LYS 23 12.924 -2.713 0.200 227 HB3 LYS 23 HB3 LYS 23 13.410 -1.112 0.738 228 HG2 LYS 23 HG2 LYS 23 15.134 -2.145 -0.632 229 HG3 LYS 23 HG3 LYS 23 15.698 -1.887 1.019 230 HD2 LYS 23 HD2 LYS 23 15.256 -4.237 1.539 231 HD3 LYS 23 HD3 LYS 23 14.698 -4.499 -0.118 232 HE2 LYS 23 HE2 LYS 23 16.886 -3.961 -0.978 233 HE3 LYS 23 HE3 LYS 23 17.454 -3.533 0.634 234 HZ1 LYS 23 HZ1 LYS 23 17.057 -5.847 1.308 235 HZ2 LYS 23 HZ2 LYS 23 18.220 -5.709 0.082 236 HZ3 LYS 23 HZ3 LYS 23 16.654 -6.239 -0.298 237 H ALA 24 H ALA 24 14.502 -3.647 4.236 238 HA ALA 24 HA ALA 24 16.314 -1.407 4.708 239 HB1 ALA 24 HB1 ALA 24 15.855 -1.385 7.103 240 HB2 ALA 24 HB2 ALA 24 14.607 -2.614 6.889 241 HB3 ALA 24 HB3 ALA 24 14.394 -1.006 6.193 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -7.478 3.524 12.823 2 H2 LYS 1 H2 LYS 1 -6.044 4.411 12.973 3 H3 LYS 1 H3 LYS 1 -6.014 2.870 12.269 4 HA LYS 1 HA LYS 1 -5.850 4.552 10.568 5 HB2 LYS 1 HB2 LYS 1 -8.560 3.201 10.623 6 HB3 LYS 1 HB3 LYS 1 -7.787 3.863 9.192 7 HG2 LYS 1 HG2 LYS 1 -6.622 1.631 10.840 8 HG3 LYS 1 HG3 LYS 1 -7.646 1.382 9.428 9 HD2 LYS 1 HD2 LYS 1 -5.041 2.907 9.415 10 HD3 LYS 1 HD3 LYS 1 -5.216 1.216 8.938 11 HE2 LYS 1 HE2 LYS 1 -6.840 1.935 7.198 12 HE3 LYS 1 HE3 LYS 1 -6.511 3.611 7.635 13 HZ1 LYS 1 HZ1 LYS 1 -4.678 1.650 6.377 14 HZ2 LYS 1 HZ2 LYS 1 -4.101 3.049 7.137 15 HZ3 LYS 1 HZ3 LYS 1 -5.144 3.178 5.809 16 H LYS 2 H LYS 2 -6.649 6.074 12.903 17 HA LYS 2 HA LYS 2 -9.078 7.463 12.465 18 HB2 LYS 2 HB2 LYS 2 -7.889 7.350 14.652 19 HB3 LYS 2 HB3 LYS 2 -6.639 8.395 13.992 20 HG2 LYS 2 HG2 LYS 2 -8.448 10.094 13.563 21 HG3 LYS 2 HG3 LYS 2 -9.515 9.068 14.526 22 HD2 LYS 2 HD2 LYS 2 -7.958 9.254 16.417 23 HD3 LYS 2 HD3 LYS 2 -6.926 10.312 15.450 24 HE2 LYS 2 HE2 LYS 2 -8.881 11.855 15.206 25 HE3 LYS 2 HE3 LYS 2 -9.751 10.847 16.363 26 HZ1 LYS 2 HZ1 LYS 2 -7.297 12.443 16.833 27 HZ2 LYS 2 HZ2 LYS 2 -7.851 11.273 17.925 28 HZ3 LYS 2 HZ3 LYS 2 -8.814 12.625 17.573 29 H LEU 3 H LEU 3 -5.702 8.524 12.025 30 HA LEU 3 HA LEU 3 -6.664 10.406 9.986 31 HB2 LEU 3 HB2 LEU 3 -4.285 10.413 11.790 32 HB3 LEU 3 HB3 LEU 3 -4.174 11.230 10.245 33 HG LEU 3 HG LEU 3 -6.187 12.583 10.914 34 HD11 LEU 3 HD11 LEU 3 -6.746 12.704 13.281 35 HD12 LEU 3 HD12 LEU 3 -5.628 11.384 13.619 36 HD13 LEU 3 HD13 LEU 3 -7.060 11.092 12.636 37 HD21 LEU 3 HD21 LEU 3 -4.916 14.080 12.351 38 HD22 LEU 3 HD22 LEU 3 -3.908 13.452 11.045 39 HD23 LEU 3 HD23 LEU 3 -3.751 12.795 12.674 40 H LYS 4 H LYS 4 -6.741 9.295 8.144 41 HA LYS 4 HA LYS 4 -4.685 7.388 7.418 42 HB2 LYS 4 HB2 LYS 4 -6.985 8.462 5.768 43 HB3 LYS 4 HB3 LYS 4 -6.026 7.030 5.421 44 HG2 LYS 4 HG2 LYS 4 -6.907 5.911 7.365 45 HG3 LYS 4 HG3 LYS 4 -7.781 7.368 7.846 46 HD2 LYS 4 HD2 LYS 4 -9.076 7.244 5.751 47 HD3 LYS 4 HD3 LYS 4 -8.237 5.746 5.344 48 HE2 LYS 4 HE2 LYS 4 -10.408 5.259 6.301 49 HE3 LYS 4 HE3 LYS 4 -9.129 4.712 7.384 50 HZ1 LYS 4 HZ1 LYS 4 -9.479 6.602 8.779 51 HZ2 LYS 4 HZ2 LYS 4 -10.982 5.868 8.516 52 HZ3 LYS 4 HZ3 LYS 4 -10.577 7.287 7.684 53 H LEU 5 H LEU 5 -3.483 9.763 7.855 54 HA LEU 5 HA LEU 5 -3.382 11.355 5.452 55 HB2 LEU 5 HB2 LEU 5 -3.268 12.283 7.795 56 HB3 LEU 5 HB3 LEU 5 -1.651 11.611 7.904 57 HG LEU 5 HG LEU 5 -0.929 13.036 6.037 58 HD11 LEU 5 HD11 LEU 5 -2.397 14.781 5.190 59 HD12 LEU 5 HD12 LEU 5 -3.717 14.171 6.187 60 HD13 LEU 5 HD13 LEU 5 -3.076 13.184 4.874 61 HD21 LEU 5 HD21 LEU 5 -1.078 15.193 7.216 62 HD22 LEU 5 HD22 LEU 5 -0.659 13.866 8.298 63 HD23 LEU 5 HD23 LEU 5 -2.303 14.506 8.283 64 H ALA 6 H ALA 6 -2.021 8.527 6.322 65 HA ALA 6 HA ALA 6 0.567 8.942 5.091 66 HB1 ALA 6 HB1 ALA 6 -0.751 6.372 5.969 67 HB2 ALA 6 HB2 ALA 6 0.319 7.364 6.959 68 HB3 ALA 6 HB3 ALA 6 0.939 6.575 5.509 69 H LEU 7 H LEU 7 -2.472 8.698 3.963 70 HA LEU 7 HA LEU 7 -2.192 6.860 1.807 71 HB2 LEU 7 HB2 LEU 7 -4.358 7.596 2.844 72 HB3 LEU 7 HB3 LEU 7 -4.136 9.157 2.082 73 HG LEU 7 HG LEU 7 -4.200 8.055 -0.137 74 HD11 LEU 7 HD11 LEU 7 -4.905 5.600 1.467 75 HD12 LEU 7 HD12 LEU 7 -3.444 5.839 0.509 76 HD13 LEU 7 HD13 LEU 7 -5.015 5.748 -0.287 77 HD21 LEU 7 HD21 LEU 7 -6.606 7.623 -0.134 78 HD22 LEU 7 HD22 LEU 7 -6.210 9.056 0.815 79 HD23 LEU 7 HD23 LEU 7 -6.592 7.537 1.627 80 H ALA 8 H ALA 8 -0.247 7.464 0.837 81 HA ALA 8 HA ALA 8 0.814 8.153 -1.042 82 HB1 ALA 8 HB1 ALA 8 -1.380 8.253 -2.124 83 HB2 ALA 8 HB2 ALA 8 -0.291 9.507 -2.714 84 HB3 ALA 8 HB3 ALA 8 -1.571 9.917 -1.573 85 H LYS 9 H LYS 9 -0.118 10.329 1.424 86 HA LYS 9 HA LYS 9 1.179 12.636 0.371 87 HB2 LYS 9 HB2 LYS 9 -0.580 12.777 2.111 88 HB3 LYS 9 HB3 LYS 9 0.528 12.047 3.264 89 HG2 LYS 9 HG2 LYS 9 2.046 13.937 3.029 90 HG3 LYS 9 HG3 LYS 9 0.967 14.668 1.843 91 HD2 LYS 9 HD2 LYS 9 -0.804 14.743 3.586 92 HD3 LYS 9 HD3 LYS 9 0.381 14.152 4.754 93 HE2 LYS 9 HE2 LYS 9 1.793 16.108 4.272 94 HE3 LYS 9 HE3 LYS 9 0.566 16.705 3.159 95 HZ1 LYS 9 HZ1 LYS 9 0.343 17.809 5.247 96 HZ2 LYS 9 HZ2 LYS 9 0.277 16.343 6.089 97 HZ3 LYS 9 HZ3 LYS 9 -0.993 16.782 5.049 98 HA PRO 10 HA PRO 10 5.000 11.434 2.902 99 HB2 PRO 10 HB2 PRO 10 4.623 9.050 4.457 100 HB3 PRO 10 HB3 PRO 10 4.871 10.697 5.035 101 HG2 PRO 10 HG2 PRO 10 2.531 9.283 5.346 102 HG3 PRO 10 HG3 PRO 10 2.635 11.054 5.344 103 HD2 PRO 10 HD2 PRO 10 1.845 9.194 3.132 104 HD3 PRO 10 HD3 PRO 10 1.136 10.757 3.598 105 H ALA 11 H ALA 11 3.197 9.329 1.093 106 HA ALA 11 HA ALA 11 3.643 7.743 -0.459 107 HB1 ALA 11 HB1 ALA 11 6.500 8.638 -0.122 108 HB2 ALA 11 HB2 ALA 11 5.319 9.337 -1.230 109 HB3 ALA 11 HB3 ALA 11 5.867 7.675 -1.457 110 H LEU 12 H LEU 12 3.553 6.959 2.311 111 HA LEU 12 HA LEU 12 5.463 4.723 2.350 112 HB2 LEU 12 HB2 LEU 12 5.724 6.236 4.234 113 HB3 LEU 12 HB3 LEU 12 4.020 6.098 4.617 114 HG LEU 12 HG LEU 12 4.403 3.659 5.080 115 HD11 LEU 12 HD11 LEU 12 7.304 4.462 4.908 116 HD12 LEU 12 HD12 LEU 12 6.460 3.395 3.785 117 HD13 LEU 12 HD13 LEU 12 6.684 2.908 5.467 118 HD21 LEU 12 HD21 LEU 12 4.242 5.318 6.869 119 HD22 LEU 12 HD22 LEU 12 5.976 5.619 6.748 120 HD23 LEU 12 HD23 LEU 12 5.390 4.041 7.276 121 H LEU 13 H LEU 13 4.575 2.912 1.669 122 HA LEU 13 HA LEU 13 3.225 1.096 1.524 123 HB2 LEU 13 HB2 LEU 13 2.116 2.158 4.118 124 HB3 LEU 13 HB3 LEU 13 1.834 0.549 3.483 125 HG LEU 13 HG LEU 13 4.538 1.640 4.265 126 HD11 LEU 13 HD11 LEU 13 4.374 0.161 6.195 127 HD12 LEU 13 HD12 LEU 13 2.747 -0.309 5.709 128 HD13 LEU 13 HD13 LEU 13 3.072 1.351 6.203 129 HD21 LEU 13 HD21 LEU 13 4.657 -0.060 2.515 130 HD22 LEU 13 HD22 LEU 13 3.662 -1.142 3.489 131 HD23 LEU 13 HD23 LEU 13 5.270 -0.685 4.045 132 H TRP 14 H TRP 14 2.354 3.310 0.055 133 HA TRP 14 HA TRP 14 -0.450 3.736 0.439 134 HB2 TRP 14 HB2 TRP 14 0.950 5.442 -0.628 135 HB3 TRP 14 HB3 TRP 14 1.340 4.331 -1.933 136 HD1 TRP 14 HD1 TRP 14 -1.935 5.803 -0.431 137 HE1 TRP 14 HE1 TRP 14 -3.498 6.396 -2.390 138 HE3 TRP 14 HE3 TRP 14 1.016 4.266 -4.304 139 HZ2 TRP 14 HZ2 TRP 14 -3.468 6.246 -5.211 140 HZ3 TRP 14 HZ3 TRP 14 0.179 4.534 -6.600 141 HH2 TRP 14 HH2 TRP 14 -2.018 5.503 -7.043 142 H LYS 15 H LYS 15 1.108 2.509 -2.505 143 HA LYS 15 HA LYS 15 -0.385 0.024 -2.253 144 HB2 LYS 15 HB2 LYS 15 -0.516 1.879 -4.624 145 HB3 LYS 15 HB3 LYS 15 -0.850 0.160 -4.782 146 HG2 LYS 15 HG2 LYS 15 -2.646 0.395 -3.099 147 HG3 LYS 15 HG3 LYS 15 -2.344 2.133 -3.065 148 HD2 LYS 15 HD2 LYS 15 -3.000 2.369 -5.345 149 HD3 LYS 15 HD3 LYS 15 -3.044 0.620 -5.573 150 HE2 LYS 15 HE2 LYS 15 -5.294 1.455 -5.357 151 HE3 LYS 15 HE3 LYS 15 -4.889 0.483 -3.947 152 HZ1 LYS 15 HZ1 LYS 15 -4.409 2.582 -2.757 153 HZ2 LYS 15 HZ2 LYS 15 -6.028 2.433 -3.235 154 HZ3 LYS 15 HZ3 LYS 15 -4.984 3.447 -4.103 155 H ALA 16 H ALA 16 1.437 1.349 -4.987 156 HA ALA 16 HA ALA 16 3.197 -0.913 -5.030 157 HB1 ALA 16 HB1 ALA 16 2.523 0.187 -7.096 158 HB2 ALA 16 HB2 ALA 16 4.276 0.232 -6.905 159 HB3 ALA 16 HB3 ALA 16 3.316 1.673 -6.575 160 H LEU 17 H LEU 17 3.059 1.655 -3.063 161 HA LEU 17 HA LEU 17 5.918 2.193 -2.911 162 HB2 LEU 17 HB2 LEU 17 3.591 3.467 -1.468 163 HB3 LEU 17 HB3 LEU 17 5.264 3.978 -1.341 164 HG LEU 17 HG LEU 17 3.631 4.044 -3.883 165 HD11 LEU 17 HD11 LEU 17 2.793 5.644 -2.251 166 HD12 LEU 17 HD12 LEU 17 3.617 6.468 -3.576 167 HD13 LEU 17 HD13 LEU 17 4.424 6.276 -2.019 168 HD21 LEU 17 HD21 LEU 17 5.488 5.391 -4.747 169 HD22 LEU 17 HD22 LEU 17 6.011 3.767 -4.299 170 HD23 LEU 17 HD23 LEU 17 6.371 5.133 -3.242 171 H ALA 18 H ALA 18 4.637 -0.336 -2.128 172 HA ALA 18 HA ALA 18 5.116 -0.436 0.734 173 HB1 ALA 18 HB1 ALA 18 4.419 -2.767 0.581 174 HB2 ALA 18 HB2 ALA 18 4.375 -2.651 -1.177 175 HB3 ALA 18 HB3 ALA 18 3.241 -1.715 -0.205 176 H LEU 19 H LEU 19 6.584 -1.298 -2.297 177 HA LEU 19 HA LEU 19 8.960 -2.295 -0.890 178 HB2 LEU 19 HB2 LEU 19 7.993 -2.677 -3.718 179 HB3 LEU 19 HB3 LEU 19 9.643 -3.031 -3.251 180 HG LEU 19 HG LEU 19 8.665 -4.642 -1.536 181 HD11 LEU 19 HD11 LEU 19 6.207 -4.233 -3.231 182 HD12 LEU 19 HD12 LEU 19 6.381 -3.803 -1.529 183 HD13 LEU 19 HD13 LEU 19 6.427 -5.496 -2.021 184 HD21 LEU 19 HD21 LEU 19 8.338 -6.395 -3.229 185 HD22 LEU 19 HD22 LEU 19 9.750 -5.394 -3.563 186 HD23 LEU 19 HD23 LEU 19 8.263 -5.152 -4.478 187 H LYS 20 H LYS 20 8.044 -0.319 -3.729 188 HA LYS 20 HA LYS 20 8.948 1.550 -4.643 189 HB2 LYS 20 HB2 LYS 20 8.319 2.424 -2.393 190 HB3 LYS 20 HB3 LYS 20 9.943 2.065 -1.830 191 HG2 LYS 20 HG2 LYS 20 10.851 3.648 -3.458 192 HG3 LYS 20 HG3 LYS 20 9.214 4.014 -4.004 193 HD2 LYS 20 HD2 LYS 20 8.633 4.901 -1.848 194 HD3 LYS 20 HD3 LYS 20 10.180 4.383 -1.175 195 HE2 LYS 20 HE2 LYS 20 9.821 6.417 -3.370 196 HE3 LYS 20 HE3 LYS 20 10.133 6.789 -1.675 197 HZ1 LYS 20 HZ1 LYS 20 12.248 5.650 -1.832 198 HZ2 LYS 20 HZ2 LYS 20 12.152 6.864 -3.013 199 HZ3 LYS 20 HZ3 LYS 20 11.946 5.240 -3.450 200 H LEU 21 H LEU 21 10.366 -0.603 -5.213 201 HA LEU 21 HA LEU 21 12.345 -1.325 -6.046 202 HB2 LEU 21 HB2 LEU 21 13.222 1.513 -5.528 203 HB3 LEU 21 HB3 LEU 21 14.151 0.333 -6.433 204 HG LEU 21 HG LEU 21 11.435 1.403 -7.212 205 HD11 LEU 21 HD11 LEU 21 13.224 3.052 -7.468 206 HD12 LEU 21 HD12 LEU 21 12.628 2.499 -9.032 207 HD13 LEU 21 HD13 LEU 21 14.161 1.891 -8.408 208 HD21 LEU 21 HD21 LEU 21 11.784 0.178 -9.296 209 HD22 LEU 21 HD22 LEU 21 11.759 -0.917 -7.913 210 HD23 LEU 21 HD23 LEU 21 13.293 -0.480 -8.665 211 H LYS 22 H LYS 22 11.885 -0.728 -2.935 212 HA LYS 22 HA LYS 22 14.592 -1.555 -2.134 213 HB2 LYS 22 HB2 LYS 22 13.810 0.579 -1.149 214 HB3 LYS 22 HB3 LYS 22 12.412 -0.251 -0.485 215 HG2 LYS 22 HG2 LYS 22 13.865 -1.605 0.921 216 HG3 LYS 22 HG3 LYS 22 15.282 -0.794 0.246 217 HD2 LYS 22 HD2 LYS 22 14.477 1.341 1.114 218 HD3 LYS 22 HD3 LYS 22 13.045 0.545 1.765 219 HE2 LYS 22 HE2 LYS 22 15.892 -0.034 2.563 220 HE3 LYS 22 HE3 LYS 22 14.755 0.948 3.482 221 HZ1 LYS 22 HZ1 LYS 22 14.642 -1.971 2.964 222 HZ2 LYS 22 HZ2 LYS 22 13.307 -1.098 3.544 223 HZ3 LYS 22 HZ3 LYS 22 14.729 -1.169 4.458 224 H LYS 23 H LYS 23 14.230 -3.726 -2.614 225 HA LYS 23 HA LYS 23 11.962 -5.168 -1.716 226 HB2 LYS 23 HB2 LYS 23 14.680 -6.181 -2.571 227 HB3 LYS 23 HB3 LYS 23 13.231 -7.163 -2.408 228 HG2 LYS 23 HG2 LYS 23 12.154 -5.909 -4.186 229 HG3 LYS 23 HG3 LYS 23 13.569 -4.868 -4.330 230 HD2 LYS 23 HD2 LYS 23 13.620 -6.529 -6.075 231 HD3 LYS 23 HD3 LYS 23 14.921 -6.850 -4.930 232 HE2 LYS 23 HE2 LYS 23 13.623 -8.610 -3.894 233 HE3 LYS 23 HE3 LYS 23 12.243 -8.241 -4.928 234 HZ1 LYS 23 HZ1 LYS 23 14.889 -9.246 -5.841 235 HZ2 LYS 23 HZ2 LYS 23 13.579 -8.868 -6.853 236 HZ3 LYS 23 HZ3 LYS 23 13.455 -10.152 -5.751 237 H ALA 24 H ALA 24 15.180 -4.602 -0.455 238 HA ALA 24 HA ALA 24 14.519 -6.132 1.959 239 HB1 ALA 24 HB1 ALA 24 16.882 -5.963 2.517 240 HB2 ALA 24 HB2 ALA 24 17.162 -4.940 1.108 241 HB3 ALA 24 HB3 ALA 24 16.682 -6.625 0.892 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -2.875 15.938 14.784 2 H2 LYS 1 H2 LYS 1 -2.277 14.556 14.003 3 H3 LYS 1 H3 LYS 1 -2.418 14.581 15.690 4 HA LYS 1 HA LYS 1 -4.190 13.283 14.772 5 HB2 LYS 1 HB2 LYS 1 -5.175 15.983 15.714 6 HB3 LYS 1 HB3 LYS 1 -6.119 14.502 15.691 7 HG2 LYS 1 HG2 LYS 1 -4.602 13.511 17.332 8 HG3 LYS 1 HG3 LYS 1 -3.659 15.005 17.356 9 HD2 LYS 1 HD2 LYS 1 -5.652 16.231 18.111 10 HD3 LYS 1 HD3 LYS 1 -6.565 14.723 18.121 11 HE2 LYS 1 HE2 LYS 1 -5.851 15.282 20.364 12 HE3 LYS 1 HE3 LYS 1 -5.026 13.825 19.813 13 HZ1 LYS 1 HZ1 LYS 1 -3.037 14.989 19.504 14 HZ2 LYS 1 HZ2 LYS 1 -3.637 15.558 20.986 15 HZ3 LYS 1 HZ3 LYS 1 -3.796 16.504 19.591 16 H LYS 2 H LYS 2 -3.816 16.437 13.293 17 HA LYS 2 HA LYS 2 -6.085 16.013 11.518 18 HB2 LYS 2 HB2 LYS 2 -5.580 18.236 12.579 19 HB3 LYS 2 HB3 LYS 2 -4.129 18.316 11.590 20 HG2 LYS 2 HG2 LYS 2 -5.568 18.184 9.568 21 HG3 LYS 2 HG3 LYS 2 -6.979 18.272 10.626 22 HD2 LYS 2 HD2 LYS 2 -6.082 20.428 11.518 23 HD3 LYS 2 HD3 LYS 2 -4.823 20.353 10.284 24 HE2 LYS 2 HE2 LYS 2 -7.800 20.470 9.808 25 HE3 LYS 2 HE3 LYS 2 -6.647 21.778 9.547 26 HZ1 LYS 2 HZ1 LYS 2 -5.577 20.440 7.833 27 HZ2 LYS 2 HZ2 LYS 2 -7.223 20.665 7.482 28 HZ3 LYS 2 HZ3 LYS 2 -6.687 19.182 8.101 29 H LEU 3 H LEU 3 -5.292 14.231 10.311 30 HA LEU 3 HA LEU 3 -3.538 15.127 8.156 31 HB2 LEU 3 HB2 LEU 3 -2.405 12.969 8.021 32 HB3 LEU 3 HB3 LEU 3 -2.101 13.755 9.554 33 HG LEU 3 HG LEU 3 -4.211 11.625 9.304 34 HD11 LEU 3 HD11 LEU 3 -1.269 11.226 9.815 35 HD12 LEU 3 HD12 LEU 3 -2.180 10.649 8.419 36 HD13 LEU 3 HD13 LEU 3 -2.515 9.999 10.025 37 HD21 LEU 3 HD21 LEU 3 -3.734 11.301 11.676 38 HD22 LEU 3 HD22 LEU 3 -4.188 12.973 11.348 39 HD23 LEU 3 HD23 LEU 3 -2.495 12.556 11.604 40 H LYS 4 H LYS 4 -5.131 15.385 6.712 41 HA LYS 4 HA LYS 4 -6.468 12.914 5.845 42 HB2 LYS 4 HB2 LYS 4 -8.035 14.413 7.134 43 HB3 LYS 4 HB3 LYS 4 -7.818 15.620 5.875 44 HG2 LYS 4 HG2 LYS 4 -8.820 14.189 4.236 45 HG3 LYS 4 HG3 LYS 4 -8.865 12.843 5.376 46 HD2 LYS 4 HD2 LYS 4 -10.355 15.443 5.711 47 HD3 LYS 4 HD3 LYS 4 -11.059 13.947 5.094 48 HE2 LYS 4 HE2 LYS 4 -10.478 12.834 7.213 49 HE3 LYS 4 HE3 LYS 4 -9.858 14.366 7.831 50 HZ1 LYS 4 HZ1 LYS 4 -12.661 13.778 7.044 51 HZ2 LYS 4 HZ2 LYS 4 -12.099 15.303 7.514 52 HZ3 LYS 4 HZ3 LYS 4 -12.081 14.016 8.619 53 H LEU 5 H LEU 5 -4.216 13.492 4.737 54 HA LEU 5 HA LEU 5 -4.945 14.195 2.027 55 HB2 LEU 5 HB2 LEU 5 -4.211 16.348 3.016 56 HB3 LEU 5 HB3 LEU 5 -2.677 15.613 3.440 57 HG LEU 5 HG LEU 5 -2.183 15.276 1.047 58 HD11 LEU 5 HD11 LEU 5 -4.483 15.104 0.237 59 HD12 LEU 5 HD12 LEU 5 -3.577 16.332 -0.647 60 HD13 LEU 5 HD13 LEU 5 -4.736 16.816 0.589 61 HD21 LEU 5 HD21 LEU 5 -1.386 17.282 2.176 62 HD22 LEU 5 HD22 LEU 5 -2.894 18.112 1.793 63 HD23 LEU 5 HD23 LEU 5 -1.802 17.631 0.496 64 H ALA 6 H ALA 6 -4.578 12.015 1.621 65 HA ALA 6 HA ALA 6 -1.941 10.915 2.241 66 HB1 ALA 6 HB1 ALA 6 -2.904 8.769 1.538 67 HB2 ALA 6 HB2 ALA 6 -4.406 9.590 1.118 68 HB3 ALA 6 HB3 ALA 6 -3.865 9.541 2.796 69 H LEU 7 H LEU 7 -3.648 12.315 -0.355 70 HA LEU 7 HA LEU 7 -2.145 10.986 -2.441 71 HB2 LEU 7 HB2 LEU 7 -3.995 13.368 -2.582 72 HB3 LEU 7 HB3 LEU 7 -3.347 12.496 -3.957 73 HG LEU 7 HG LEU 7 -5.238 11.361 -1.896 74 HD11 LEU 7 HD11 LEU 7 -6.312 13.006 -3.325 75 HD12 LEU 7 HD12 LEU 7 -6.868 11.380 -3.723 76 HD13 LEU 7 HD13 LEU 7 -5.692 12.187 -4.760 77 HD21 LEU 7 HD21 LEU 7 -5.368 9.428 -3.358 78 HD22 LEU 7 HD22 LEU 7 -3.707 9.683 -2.826 79 HD23 LEU 7 HD23 LEU 7 -4.192 10.154 -4.456 80 H ALA 8 H ALA 8 -0.300 12.004 -0.810 81 HA ALA 8 HA ALA 8 1.148 13.853 -2.401 82 HB1 ALA 8 HB1 ALA 8 -0.429 15.457 -1.449 83 HB2 ALA 8 HB2 ALA 8 1.208 15.755 -0.868 84 HB3 ALA 8 HB3 ALA 8 0.035 14.958 0.178 85 H LYS 9 H LYS 9 0.722 12.724 0.942 86 HA LYS 9 HA LYS 9 3.350 13.199 1.768 87 HB2 LYS 9 HB2 LYS 9 1.308 11.277 2.882 88 HB3 LYS 9 HB3 LYS 9 2.808 11.720 3.690 89 HG2 LYS 9 HG2 LYS 9 2.098 14.051 3.750 90 HG3 LYS 9 HG3 LYS 9 0.606 13.622 2.916 91 HD2 LYS 9 HD2 LYS 9 -0.036 12.199 4.798 92 HD3 LYS 9 HD3 LYS 9 1.462 12.623 5.632 93 HE2 LYS 9 HE2 LYS 9 -0.693 14.566 4.805 94 HE3 LYS 9 HE3 LYS 9 -0.464 13.934 6.435 95 HZ1 LYS 9 HZ1 LYS 9 1.614 15.465 4.958 96 HZ2 LYS 9 HZ2 LYS 9 1.623 15.021 6.598 97 HZ3 LYS 9 HZ3 LYS 9 0.517 16.174 6.040 98 HA PRO 10 HA PRO 10 4.565 8.694 0.776 99 HB2 PRO 10 HB2 PRO 10 2.908 7.079 -0.600 100 HB3 PRO 10 HB3 PRO 10 2.826 7.229 1.160 101 HG2 PRO 10 HG2 PRO 10 1.115 8.509 -0.933 102 HG3 PRO 10 HG3 PRO 10 0.639 7.781 0.613 103 HD2 PRO 10 HD2 PRO 10 0.922 10.478 0.232 104 HD3 PRO 10 HD3 PRO 10 1.147 9.676 1.799 105 H ALA 11 H ALA 11 3.548 11.081 -1.120 106 HA ALA 11 HA ALA 11 4.044 11.882 -3.174 107 HB1 ALA 11 HB1 ALA 11 6.092 11.120 -4.253 108 HB2 ALA 11 HB2 ALA 11 6.147 9.717 -3.185 109 HB3 ALA 11 HB3 ALA 11 6.336 11.340 -2.521 110 H LEU 12 H LEU 12 1.925 10.122 -3.013 111 HA LEU 12 HA LEU 12 0.419 9.079 -4.336 112 HB2 LEU 12 HB2 LEU 12 2.431 9.577 -6.530 113 HB3 LEU 12 HB3 LEU 12 0.830 8.914 -6.789 114 HG LEU 12 HG LEU 12 1.443 11.659 -5.693 115 HD11 LEU 12 HD11 LEU 12 0.489 12.444 -7.809 116 HD12 LEU 12 HD12 LEU 12 0.365 10.775 -8.362 117 HD13 LEU 12 HD13 LEU 12 1.949 11.484 -8.052 118 HD21 LEU 12 HD21 LEU 12 -1.190 10.345 -6.345 119 HD22 LEU 12 HD22 LEU 12 -0.969 12.038 -5.912 120 HD23 LEU 12 HD23 LEU 12 -0.603 10.775 -4.739 121 H LEU 13 H LEU 13 0.103 7.066 -5.686 122 HA LEU 13 HA LEU 13 0.142 4.810 -5.574 123 HB2 LEU 13 HB2 LEU 13 3.111 5.312 -5.689 124 HB3 LEU 13 HB3 LEU 13 2.425 3.700 -5.685 125 HG LEU 13 HG LEU 13 1.101 4.468 -7.758 126 HD11 LEU 13 HD11 LEU 13 1.552 6.851 -7.551 127 HD12 LEU 13 HD12 LEU 13 2.168 6.219 -9.077 128 HD13 LEU 13 HD13 LEU 13 3.279 6.551 -7.747 129 HD21 LEU 13 HD21 LEU 13 2.954 3.875 -9.229 130 HD22 LEU 13 HD22 LEU 13 2.909 2.832 -7.809 131 HD23 LEU 13 HD23 LEU 13 4.094 4.133 -7.909 132 H TRP 14 H TRP 14 -0.809 5.089 -3.496 133 HA TRP 14 HA TRP 14 0.940 4.918 -1.175 134 HB2 TRP 14 HB2 TRP 14 -1.362 5.243 0.010 135 HB3 TRP 14 HB3 TRP 14 -0.626 6.608 -0.819 136 HD1 TRP 14 HD1 TRP 14 -1.863 7.578 -2.935 137 HE1 TRP 14 HE1 TRP 14 -4.197 7.190 -3.952 138 HE3 TRP 14 HE3 TRP 14 -3.190 3.375 -0.332 139 HZ2 TRP 14 HZ2 TRP 14 -6.322 5.344 -3.674 140 HZ3 TRP 14 HZ3 TRP 14 -5.389 2.366 -0.769 141 HH2 TRP 14 HH2 TRP 14 -6.920 3.330 -2.403 142 H LYS 15 H LYS 15 -0.506 2.835 -3.217 143 HA LYS 15 HA LYS 15 -0.954 0.851 -1.112 144 HB2 LYS 15 HB2 LYS 15 -2.766 1.105 -2.779 145 HB3 LYS 15 HB3 LYS 15 -1.632 0.669 -4.053 146 HG2 LYS 15 HG2 LYS 15 -1.265 -1.493 -2.788 147 HG3 LYS 15 HG3 LYS 15 -2.672 -1.048 -1.825 148 HD2 LYS 15 HD2 LYS 15 -4.082 -1.052 -3.762 149 HD3 LYS 15 HD3 LYS 15 -2.693 -1.264 -4.832 150 HE2 LYS 15 HE2 LYS 15 -3.800 -3.226 -2.836 151 HE3 LYS 15 HE3 LYS 15 -3.762 -3.385 -4.591 152 HZ1 LYS 15 HZ1 LYS 15 -1.999 -4.687 -3.824 153 HZ2 LYS 15 HZ2 LYS 15 -1.505 -3.535 -2.684 154 HZ3 LYS 15 HZ3 LYS 15 -1.251 -3.256 -4.336 155 H ALA 16 H ALA 16 0.827 1.494 -4.071 156 HA ALA 16 HA ALA 16 2.401 -0.917 -3.867 157 HB1 ALA 16 HB1 ALA 16 3.570 -0.058 -5.832 158 HB2 ALA 16 HB2 ALA 16 2.717 1.477 -5.673 159 HB3 ALA 16 HB3 ALA 16 1.820 0.008 -6.052 160 H LEU 17 H LEU 17 2.942 -0.166 -1.569 161 HA LEU 17 HA LEU 17 5.272 1.626 -1.548 162 HB2 LEU 17 HB2 LEU 17 3.628 0.538 0.746 163 HB3 LEU 17 HB3 LEU 17 4.973 1.650 0.901 164 HG LEU 17 HG LEU 17 2.389 2.278 -0.534 165 HD11 LEU 17 HD11 LEU 17 1.999 1.996 1.843 166 HD12 LEU 17 HD12 LEU 17 1.917 3.704 1.409 167 HD13 LEU 17 HD13 LEU 17 3.352 3.064 2.213 168 HD21 LEU 17 HD21 LEU 17 3.215 4.577 -0.488 169 HD22 LEU 17 HD22 LEU 17 4.313 3.522 -1.375 170 HD23 LEU 17 HD23 LEU 17 4.712 4.028 0.266 171 H ALA 18 H ALA 18 5.106 -1.274 -2.416 172 HA ALA 18 HA ALA 18 6.122 -3.056 -0.577 173 HB1 ALA 18 HB1 ALA 18 6.946 -4.345 -2.475 174 HB2 ALA 18 HB2 ALA 18 6.745 -2.941 -3.521 175 HB3 ALA 18 HB3 ALA 18 5.335 -3.703 -2.787 176 H LEU 19 H LEU 19 8.015 -1.078 -2.858 177 HA LEU 19 HA LEU 19 10.311 -1.381 -1.033 178 HB2 LEU 19 HB2 LEU 19 10.290 -1.043 -4.032 179 HB3 LEU 19 HB3 LEU 19 11.737 -0.934 -3.047 180 HG LEU 19 HG LEU 19 9.993 -3.381 -3.349 181 HD11 LEU 19 HD11 LEU 19 12.756 -2.777 -4.388 182 HD12 LEU 19 HD12 LEU 19 11.284 -2.885 -5.352 183 HD13 LEU 19 HD13 LEU 19 11.909 -4.317 -4.535 184 HD21 LEU 19 HD21 LEU 19 11.705 -4.534 -2.068 185 HD22 LEU 19 HD22 LEU 19 11.021 -3.211 -1.122 186 HD23 LEU 19 HD23 LEU 19 12.604 -3.030 -1.879 187 H LYS 20 H LYS 20 7.973 0.634 -1.652 188 HA LYS 20 HA LYS 20 9.577 3.066 -1.805 189 HB2 LYS 20 HB2 LYS 20 7.438 2.906 -3.077 190 HB3 LYS 20 HB3 LYS 20 6.574 2.767 -1.550 191 HG2 LYS 20 HG2 LYS 20 7.250 4.982 -0.904 192 HG3 LYS 20 HG3 LYS 20 8.279 5.125 -2.329 193 HD2 LYS 20 HD2 LYS 20 5.271 4.855 -2.327 194 HD3 LYS 20 HD3 LYS 20 6.182 6.336 -2.635 195 HE2 LYS 20 HE2 LYS 20 7.269 5.144 -4.558 196 HE3 LYS 20 HE3 LYS 20 6.119 3.832 -4.306 197 HZ1 LYS 20 HZ1 LYS 20 5.482 6.644 -5.011 198 HZ2 LYS 20 HZ2 LYS 20 4.320 5.468 -4.638 199 HZ3 LYS 20 HZ3 LYS 20 5.310 5.281 -6.006 200 H LEU 21 H LEU 21 7.692 1.165 0.442 201 HA LEU 21 HA LEU 21 8.155 3.049 2.604 202 HB2 LEU 21 HB2 LEU 21 6.042 1.785 2.502 203 HB3 LEU 21 HB3 LEU 21 6.935 0.283 2.635 204 HG LEU 21 HG LEU 21 7.698 0.958 4.890 205 HD11 LEU 21 HD11 LEU 21 6.638 2.859 5.997 206 HD12 LEU 21 HD12 LEU 21 5.837 3.295 4.486 207 HD13 LEU 21 HD13 LEU 21 7.596 3.375 4.609 208 HD21 LEU 21 HD21 LEU 21 5.710 -0.434 4.613 209 HD22 LEU 21 HD22 LEU 21 4.709 1.013 4.510 210 HD23 LEU 21 HD23 LEU 21 5.560 0.635 6.009 211 H LYS 22 H LYS 22 9.383 0.021 1.360 212 HA LYS 22 HA LYS 22 11.260 -0.255 3.550 213 HB2 LYS 22 HB2 LYS 22 10.279 -2.275 2.548 214 HB3 LYS 22 HB3 LYS 22 10.996 -1.855 0.996 215 HG2 LYS 22 HG2 LYS 22 13.197 -2.187 1.827 216 HG3 LYS 22 HG3 LYS 22 12.612 -2.331 3.486 217 HD2 LYS 22 HD2 LYS 22 11.406 -4.382 2.862 218 HD3 LYS 22 HD3 LYS 22 12.053 -4.247 1.223 219 HE2 LYS 22 HE2 LYS 22 14.283 -4.561 1.996 220 HE3 LYS 22 HE3 LYS 22 13.788 -4.403 3.680 221 HZ1 LYS 22 HZ1 LYS 22 12.575 -6.460 3.512 222 HZ2 LYS 22 HZ2 LYS 22 14.182 -6.713 3.031 223 HZ3 LYS 22 HZ3 LYS 22 12.956 -6.604 1.866 224 H LYS 23 H LYS 23 12.813 1.211 3.561 225 HA LYS 23 HA LYS 23 14.723 1.422 1.477 226 HB2 LYS 23 HB2 LYS 23 14.364 3.814 0.945 227 HB3 LYS 23 HB3 LYS 23 13.016 2.815 0.420 228 HG2 LYS 23 HG2 LYS 23 11.709 3.509 2.338 229 HG3 LYS 23 HG3 LYS 23 13.072 4.449 2.948 230 HD2 LYS 23 HD2 LYS 23 12.970 5.898 1.006 231 HD3 LYS 23 HD3 LYS 23 11.666 4.924 0.325 232 HE2 LYS 23 HE2 LYS 23 10.225 5.516 2.197 233 HE3 LYS 23 HE3 LYS 23 11.531 6.442 2.933 234 HZ1 LYS 23 HZ1 LYS 23 11.493 7.961 1.087 235 HZ2 LYS 23 HZ2 LYS 23 9.924 7.833 1.727 236 HZ3 LYS 23 HZ3 LYS 23 10.320 7.033 0.287 237 H ALA 24 H ALA 24 16.488 2.827 2.105 238 HA ALA 24 HA ALA 24 16.450 3.475 4.975 239 HB1 ALA 24 HB1 ALA 24 18.776 2.425 3.359 240 HB2 ALA 24 HB2 ALA 24 17.831 1.503 4.529 241 HB3 ALA 24 HB3 ALA 24 18.818 2.863 5.068 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -3.064 17.287 0.815 2 H2 LYS 1 H2 LYS 1 -2.200 17.773 2.192 3 H3 LYS 1 H3 LYS 1 -1.380 17.470 0.737 4 HA LYS 1 HA LYS 1 -3.406 19.590 1.098 5 HB2 LYS 1 HB2 LYS 1 -0.390 19.729 1.174 6 HB3 LYS 1 HB3 LYS 1 -1.419 21.138 0.955 7 HG2 LYS 1 HG2 LYS 1 -2.443 20.744 3.126 8 HG3 LYS 1 HG3 LYS 1 -1.442 19.306 3.348 9 HD2 LYS 1 HD2 LYS 1 0.568 20.670 3.283 10 HD3 LYS 1 HD3 LYS 1 -0.396 22.114 2.972 11 HE2 LYS 1 HE2 LYS 1 -1.460 21.899 5.143 12 HE3 LYS 1 HE3 LYS 1 -0.579 20.403 5.451 13 HZ1 LYS 1 HZ1 LYS 1 0.405 22.366 6.545 14 HZ2 LYS 1 HZ2 LYS 1 0.705 23.051 5.022 15 HZ3 LYS 1 HZ3 LYS 1 1.480 21.608 5.470 16 H LYS 2 H LYS 2 -0.402 19.570 -0.747 17 HA LYS 2 HA LYS 2 -1.894 20.304 -3.118 18 HB2 LYS 2 HB2 LYS 2 0.198 21.488 -2.475 19 HB3 LYS 2 HB3 LYS 2 1.093 19.998 -2.736 20 HG2 LYS 2 HG2 LYS 2 0.422 20.021 -5.091 21 HG3 LYS 2 HG3 LYS 2 -0.437 21.538 -4.821 22 HD2 LYS 2 HD2 LYS 2 1.712 22.554 -4.090 23 HD3 LYS 2 HD3 LYS 2 2.524 21.051 -4.531 24 HE2 LYS 2 HE2 LYS 2 2.733 22.688 -6.315 25 HE3 LYS 2 HE3 LYS 2 1.759 21.314 -6.838 26 HZ1 LYS 2 HZ1 LYS 2 0.646 23.901 -5.888 27 HZ2 LYS 2 HZ2 LYS 2 -0.234 22.598 -6.530 28 HZ3 LYS 2 HZ3 LYS 2 0.832 23.471 -7.516 29 H LEU 3 H LEU 3 0.884 18.121 -2.783 30 HA LEU 3 HA LEU 3 0.000 16.512 -4.967 31 HB2 LEU 3 HB2 LEU 3 2.209 16.066 -2.959 32 HB3 LEU 3 HB3 LEU 3 1.923 15.049 -4.359 33 HG LEU 3 HG LEU 3 2.738 17.952 -4.385 34 HD11 LEU 3 HD11 LEU 3 4.188 15.446 -5.212 35 HD12 LEU 3 HD12 LEU 3 4.543 16.446 -3.802 36 HD13 LEU 3 HD13 LEU 3 4.778 17.094 -5.426 37 HD21 LEU 3 HD21 LEU 3 1.215 17.486 -6.225 38 HD22 LEU 3 HD22 LEU 3 2.181 16.086 -6.688 39 HD23 LEU 3 HD23 LEU 3 2.862 17.708 -6.817 40 H LYS 4 H LYS 4 -1.660 15.217 -4.799 41 HA LYS 4 HA LYS 4 -1.854 13.455 -2.455 42 HB2 LYS 4 HB2 LYS 4 -4.324 13.653 -2.589 43 HB3 LYS 4 HB3 LYS 4 -3.545 15.180 -2.193 44 HG2 LYS 4 HG2 LYS 4 -3.752 15.849 -4.572 45 HG3 LYS 4 HG3 LYS 4 -4.648 14.358 -4.873 46 HD2 LYS 4 HD2 LYS 4 -6.275 16.044 -4.562 47 HD3 LYS 4 HD3 LYS 4 -6.250 15.114 -3.064 48 HE2 LYS 4 HE2 LYS 4 -6.353 17.474 -2.560 49 HE3 LYS 4 HE3 LYS 4 -4.790 16.829 -2.058 50 HZ1 LYS 4 HZ1 LYS 4 -4.730 19.019 -3.251 51 HZ2 LYS 4 HZ2 LYS 4 -5.213 18.199 -4.655 52 HZ3 LYS 4 HZ3 LYS 4 -3.740 17.815 -3.914 53 H LEU 5 H LEU 5 -0.596 12.970 -4.932 54 HA LEU 5 HA LEU 5 -2.404 11.615 -6.705 55 HB2 LEU 5 HB2 LEU 5 0.612 11.702 -6.715 56 HB3 LEU 5 HB3 LEU 5 -0.401 11.127 -8.025 57 HG LEU 5 HG LEU 5 -0.333 13.964 -7.002 58 HD11 LEU 5 HD11 LEU 5 0.826 12.760 -9.508 59 HD12 LEU 5 HD12 LEU 5 1.737 13.349 -8.119 60 HD13 LEU 5 HD13 LEU 5 0.800 14.476 -9.101 61 HD21 LEU 5 HD21 LEU 5 -1.724 12.757 -9.389 62 HD22 LEU 5 HD22 LEU 5 -1.668 14.471 -8.981 63 HD23 LEU 5 HD23 LEU 5 -2.504 13.340 -7.917 64 H ALA 6 H ALA 6 -0.828 10.806 -3.895 65 HA ALA 6 HA ALA 6 -0.135 8.102 -4.371 66 HB1 ALA 6 HB1 ALA 6 -0.860 9.436 -1.768 67 HB2 ALA 6 HB2 ALA 6 0.748 9.389 -2.485 68 HB3 ALA 6 HB3 ALA 6 -0.023 7.897 -1.948 69 H LEU 7 H LEU 7 -3.137 9.632 -4.078 70 HA LEU 7 HA LEU 7 -4.466 7.113 -3.366 71 HB2 LEU 7 HB2 LEU 7 -5.583 9.920 -3.430 72 HB3 LEU 7 HB3 LEU 7 -6.441 8.488 -2.896 73 HG LEU 7 HG LEU 7 -4.031 9.711 -1.548 74 HD11 LEU 7 HD11 LEU 7 -6.048 11.031 -1.244 75 HD12 LEU 7 HD12 LEU 7 -5.607 10.216 0.257 76 HD13 LEU 7 HD13 LEU 7 -6.929 9.591 -0.729 77 HD21 LEU 7 HD21 LEU 7 -5.718 7.344 -0.757 78 HD22 LEU 7 HD22 LEU 7 -4.421 8.056 0.203 79 HD23 LEU 7 HD23 LEU 7 -4.054 7.281 -1.341 80 H ALA 8 H ALA 8 -3.390 8.427 -6.042 81 HA ALA 8 HA ALA 8 -5.806 7.781 -7.599 82 HB1 ALA 8 HB1 ALA 8 -5.438 10.183 -7.640 83 HB2 ALA 8 HB2 ALA 8 -5.146 9.485 -9.234 84 HB3 ALA 8 HB3 ALA 8 -3.787 9.936 -8.206 85 H LYS 9 H LYS 9 -2.257 7.960 -7.670 86 HA LYS 9 HA LYS 9 -2.022 6.617 -10.150 87 HB2 LYS 9 HB2 LYS 9 -0.278 8.113 -9.260 88 HB3 LYS 9 HB3 LYS 9 0.066 6.943 -7.991 89 HG2 LYS 9 HG2 LYS 9 0.827 5.337 -9.605 90 HG3 LYS 9 HG3 LYS 9 0.326 6.380 -10.935 91 HD2 LYS 9 HD2 LYS 9 2.454 7.035 -8.900 92 HD3 LYS 9 HD3 LYS 9 2.746 6.486 -10.552 93 HE2 LYS 9 HE2 LYS 9 1.561 8.465 -11.399 94 HE3 LYS 9 HE3 LYS 9 1.331 9.020 -9.742 95 HZ1 LYS 9 HZ1 LYS 9 3.724 9.162 -9.489 96 HZ2 LYS 9 HZ2 LYS 9 3.213 10.101 -10.809 97 HZ3 LYS 9 HZ3 LYS 9 3.950 8.599 -11.072 98 HA PRO 10 HA PRO 10 -1.160 2.603 -7.792 99 HB2 PRO 10 HB2 PRO 10 -1.349 2.444 -5.115 100 HB3 PRO 10 HB3 PRO 10 0.128 2.980 -5.924 101 HG2 PRO 10 HG2 PRO 10 -1.977 4.584 -4.555 102 HG3 PRO 10 HG3 PRO 10 -0.221 4.815 -4.577 103 HD2 PRO 10 HD2 PRO 10 -2.022 6.222 -6.138 104 HD3 PRO 10 HD3 PRO 10 -0.297 6.035 -6.501 105 H ALA 11 H ALA 11 -3.719 4.680 -6.858 106 HA ALA 11 HA ALA 11 -5.965 4.446 -6.908 107 HB1 ALA 11 HB1 ALA 11 -5.625 2.982 -8.842 108 HB2 ALA 11 HB2 ALA 11 -7.012 2.492 -7.866 109 HB3 ALA 11 HB3 ALA 11 -5.495 1.596 -7.756 110 H LEU 12 H LEU 12 -4.039 2.357 -5.001 111 HA LEU 12 HA LEU 12 -6.298 1.811 -3.204 112 HB2 LEU 12 HB2 LEU 12 -3.605 0.517 -3.524 113 HB3 LEU 12 HB3 LEU 12 -4.552 0.291 -2.067 114 HG LEU 12 HG LEU 12 -4.931 -1.603 -3.444 115 HD11 LEU 12 HD11 LEU 12 -6.920 -0.791 -2.340 116 HD12 LEU 12 HD12 LEU 12 -7.338 -1.475 -3.909 117 HD13 LEU 12 HD13 LEU 12 -7.275 0.275 -3.699 118 HD21 LEU 12 HD21 LEU 12 -5.725 -1.473 -5.748 119 HD22 LEU 12 HD22 LEU 12 -4.150 -0.700 -5.568 120 HD23 LEU 12 HD23 LEU 12 -5.607 0.285 -5.696 121 H LEU 13 H LEU 13 -4.923 1.459 -0.829 122 HA LEU 13 HA LEU 13 -4.737 4.106 0.112 123 HB2 LEU 13 HB2 LEU 13 -3.831 1.510 1.363 124 HB3 LEU 13 HB3 LEU 13 -3.830 3.048 2.200 125 HG LEU 13 HG LEU 13 -6.343 3.129 1.742 126 HD11 LEU 13 HD11 LEU 13 -7.436 0.964 1.423 127 HD12 LEU 13 HD12 LEU 13 -5.862 0.209 1.177 128 HD13 LEU 13 HD13 LEU 13 -6.452 1.411 0.031 129 HD21 LEU 13 HD21 LEU 13 -6.835 1.714 3.671 130 HD22 LEU 13 HD22 LEU 13 -5.393 2.696 3.937 131 HD23 LEU 13 HD23 LEU 13 -5.233 0.984 3.544 132 H TRP 14 H TRP 14 -2.174 1.633 -0.026 133 HA TRP 14 HA TRP 14 -0.332 3.496 -1.202 134 HB2 TRP 14 HB2 TRP 14 -0.206 4.045 1.249 135 HB3 TRP 14 HB3 TRP 14 0.336 2.395 1.539 136 HD1 TRP 14 HD1 TRP 14 2.857 1.833 1.028 137 HE1 TRP 14 HE1 TRP 14 4.903 3.267 0.397 138 HE3 TRP 14 HE3 TRP 14 0.459 6.198 -0.118 139 HZ2 TRP 14 HZ2 TRP 14 5.422 5.906 -0.470 140 HZ3 TRP 14 HZ3 TRP 14 1.803 8.128 -0.835 141 HH2 TRP 14 HH2 TRP 14 4.235 7.984 -1.007 142 H LYS 15 H LYS 15 -0.696 1.725 -2.730 143 HA LYS 15 HA LYS 15 1.027 -0.582 -2.110 144 HB2 LYS 15 HB2 LYS 15 -1.285 -0.380 -4.048 145 HB3 LYS 15 HB3 LYS 15 -0.211 -1.766 -3.933 146 HG2 LYS 15 HG2 LYS 15 -2.061 -0.745 -1.787 147 HG3 LYS 15 HG3 LYS 15 -2.258 -2.210 -2.752 148 HD2 LYS 15 HD2 LYS 15 -0.112 -3.047 -1.796 149 HD3 LYS 15 HD3 LYS 15 -0.088 -1.639 -0.735 150 HE2 LYS 15 HE2 LYS 15 -0.987 -3.502 0.480 151 HE3 LYS 15 HE3 LYS 15 -2.284 -2.348 0.169 152 HZ1 LYS 15 HZ1 LYS 15 -2.934 -4.681 -0.226 153 HZ2 LYS 15 HZ2 LYS 15 -1.779 -4.776 -1.461 154 HZ3 LYS 15 HZ3 LYS 15 -3.087 -3.712 -1.611 155 H ALA 16 H ALA 16 1.990 1.946 -2.953 156 HA ALA 16 HA ALA 16 2.890 1.374 -5.695 157 HB1 ALA 16 HB1 ALA 16 1.713 3.502 -5.474 158 HB2 ALA 16 HB2 ALA 16 3.408 3.756 -5.884 159 HB3 ALA 16 HB3 ALA 16 2.854 4.011 -4.231 160 H LEU 17 H LEU 17 4.192 3.171 -2.888 161 HA LEU 17 HA LEU 17 6.805 1.991 -3.528 162 HB2 LEU 17 HB2 LEU 17 6.198 4.614 -3.521 163 HB3 LEU 17 HB3 LEU 17 6.628 4.417 -1.834 164 HG LEU 17 HG LEU 17 8.417 3.754 -4.175 165 HD11 LEU 17 HD11 LEU 17 9.705 5.714 -3.462 166 HD12 LEU 17 HD12 LEU 17 8.474 6.069 -2.249 167 HD13 LEU 17 HD13 LEU 17 8.067 6.140 -3.965 168 HD21 LEU 17 HD21 LEU 17 8.989 3.781 -1.211 169 HD22 LEU 17 HD22 LEU 17 10.177 3.522 -2.490 170 HD23 LEU 17 HD23 LEU 17 8.882 2.351 -2.237 171 H ALA 18 H ALA 18 5.684 0.217 -2.215 172 HA ALA 18 HA ALA 18 6.331 0.639 0.620 173 HB1 ALA 18 HB1 ALA 18 3.989 0.017 0.239 174 HB2 ALA 18 HB2 ALA 18 4.852 -1.223 1.146 175 HB3 ALA 18 HB3 ALA 18 4.516 -1.460 -0.568 176 H LEU 19 H LEU 19 5.945 -2.429 -1.036 177 HA LEU 19 HA LEU 19 8.752 -3.057 -0.494 178 HB2 LEU 19 HB2 LEU 19 6.436 -4.834 -1.274 179 HB3 LEU 19 HB3 LEU 19 8.082 -5.398 -1.042 180 HG LEU 19 HG LEU 19 6.346 -4.150 1.095 181 HD11 LEU 19 HD11 LEU 19 5.566 -6.364 0.454 182 HD12 LEU 19 HD12 LEU 19 6.303 -6.397 2.056 183 HD13 LEU 19 HD13 LEU 19 7.193 -7.010 0.663 184 HD21 LEU 19 HD21 LEU 19 9.080 -5.410 1.274 185 HD22 LEU 19 HD22 LEU 19 8.115 -4.826 2.629 186 HD23 LEU 19 HD23 LEU 19 8.722 -3.688 1.425 187 H LYS 20 H LYS 20 8.916 -1.349 -2.331 188 HA LYS 20 HA LYS 20 8.436 -2.400 -4.988 189 HB2 LYS 20 HB2 LYS 20 8.059 -0.005 -4.411 190 HB3 LYS 20 HB3 LYS 20 9.789 0.176 -4.171 191 HG2 LYS 20 HG2 LYS 20 10.183 -0.383 -6.512 192 HG3 LYS 20 HG3 LYS 20 8.448 -0.591 -6.756 193 HD2 LYS 20 HD2 LYS 20 8.122 1.779 -6.084 194 HD3 LYS 20 HD3 LYS 20 9.875 1.958 -5.997 195 HE2 LYS 20 HE2 LYS 20 8.288 1.206 -8.451 196 HE3 LYS 20 HE3 LYS 20 8.996 2.787 -8.125 197 HZ1 LYS 20 HZ1 LYS 20 10.523 0.254 -8.434 198 HZ2 LYS 20 HZ2 LYS 20 11.184 1.797 -8.169 199 HZ3 LYS 20 HZ3 LYS 20 10.368 1.458 -9.616 200 H LEU 21 H LEU 21 11.318 -1.024 -3.399 201 HA LEU 21 HA LEU 21 12.974 -2.800 -5.056 202 HB2 LEU 21 HB2 LEU 21 13.732 -0.285 -3.567 203 HB3 LEU 21 HB3 LEU 21 14.819 -1.246 -4.550 204 HG LEU 21 HG LEU 21 12.402 0.243 -5.579 205 HD11 LEU 21 HD11 LEU 21 14.167 1.753 -4.853 206 HD12 LEU 21 HD12 LEU 21 14.044 1.732 -6.612 207 HD13 LEU 21 HD13 LEU 21 15.346 0.854 -5.809 208 HD21 LEU 21 HD21 LEU 21 12.885 -1.747 -6.886 209 HD22 LEU 21 HD22 LEU 21 14.577 -1.274 -7.016 210 HD23 LEU 21 HD23 LEU 21 13.329 -0.297 -7.789 211 H LYS 22 H LYS 22 12.030 -2.070 -1.839 212 HA LYS 22 HA LYS 22 14.366 -3.117 -0.549 213 HB2 LYS 22 HB2 LYS 22 13.069 -1.316 0.475 214 HB3 LYS 22 HB3 LYS 22 11.653 -2.354 0.545 215 HG2 LYS 22 HG2 LYS 22 12.804 -3.830 2.114 216 HG3 LYS 22 HG3 LYS 22 14.233 -2.797 2.037 217 HD2 LYS 22 HD2 LYS 22 12.945 -0.930 2.934 218 HD3 LYS 22 HD3 LYS 22 11.497 -1.937 2.977 219 HE2 LYS 22 HE2 LYS 22 12.535 -3.408 4.602 220 HE3 LYS 22 HE3 LYS 22 14.035 -2.486 4.511 221 HZ1 LYS 22 HZ1 LYS 22 12.889 -0.570 5.409 222 HZ2 LYS 22 HZ2 LYS 22 12.715 -1.891 6.460 223 HZ3 LYS 22 HZ3 LYS 22 11.424 -1.425 5.463 224 H LYS 23 H LYS 23 14.747 -5.234 -0.706 225 HA LYS 23 HA LYS 23 12.682 -7.212 -0.654 226 HB2 LYS 23 HB2 LYS 23 15.660 -7.541 -0.226 227 HB3 LYS 23 HB3 LYS 23 14.516 -8.840 -0.517 228 HG2 LYS 23 HG2 LYS 23 14.059 -7.924 -2.747 229 HG3 LYS 23 HG3 LYS 23 15.250 -6.655 -2.451 230 HD2 LYS 23 HD2 LYS 23 16.966 -8.409 -2.106 231 HD3 LYS 23 HD3 LYS 23 15.766 -9.629 -2.536 232 HE2 LYS 23 HE2 LYS 23 15.534 -8.600 -4.749 233 HE3 LYS 23 HE3 LYS 23 16.741 -7.391 -4.308 234 HZ1 LYS 23 HZ1 LYS 23 17.160 -10.319 -4.592 235 HZ2 LYS 23 HZ2 LYS 23 18.315 -9.262 -3.940 236 HZ3 LYS 23 HZ3 LYS 23 17.823 -9.088 -5.553 237 H ALA 24 H ALA 24 11.598 -7.742 1.129 238 HA ALA 24 HA ALA 24 12.895 -7.313 3.730 239 HB1 ALA 24 HB1 ALA 24 10.643 -7.253 4.670 240 HB2 ALA 24 HB2 ALA 24 9.963 -7.573 3.073 241 HB3 ALA 24 HB3 ALA 24 10.827 -6.065 3.378
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