NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22368 | 2jo5 | 15392 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 2 H1 ALA 2 1.941 13.064 0.162 2 HA ALA 2 HA ALA 2 1.156 10.922 -1.467 3 HB1 ALA 2 HB1 ALA 2 -1.038 11.569 -0.720 4 HB2 ALA 2 HB2 ALA 2 0.102 11.441 0.607 5 HB3 ALA 2 HB3 ALA 2 -0.290 12.970 0.104 6 H LYS 3 H LYS 3 2.003 13.841 -2.481 7 HA LYS 3 HA LYS 3 0.308 14.358 -4.719 8 HB2 LYS 3 HB2 LYS 3 3.289 14.523 -4.479 9 HB3 LYS 3 HB3 LYS 3 2.311 15.170 -5.745 10 HG2 LYS 3 HG2 LYS 3 1.249 16.717 -4.259 11 HG3 LYS 3 HG3 LYS 3 2.147 16.042 -2.989 12 HD2 LYS 3 HD2 LYS 3 4.211 16.656 -3.952 13 HD3 LYS 3 HD3 LYS 3 3.311 17.416 -5.134 14 HE2 LYS 3 HE2 LYS 3 2.326 18.965 -3.614 15 HE3 LYS 3 HE3 LYS 3 3.165 18.192 -2.424 16 HZ1 LYS 3 HZ1 LYS 3 4.113 19.871 -3.810 17 HZ2 LYS 3 HZ2 LYS 3 5.026 19.070 -3.983 18 HZ3 LYS 3 HZ3 LYS 3 4.532 19.382 -2.843 19 H ALA 4 H ALA 4 2.701 11.837 -4.216 20 HA ALA 4 HA ALA 4 2.542 10.626 -6.807 21 HB1 ALA 4 HB1 ALA 4 4.523 10.657 -5.340 22 HB2 ALA 4 HB2 ALA 4 3.627 9.748 -4.161 23 HB3 ALA 4 HB3 ALA 4 3.950 9.043 -5.688 24 H ALA 5 H ALA 5 0.196 10.612 -4.369 25 HA ALA 5 HA ALA 5 0.133 7.853 -3.860 26 HB1 ALA 5 HB1 ALA 5 -1.866 8.374 -2.569 27 HB2 ALA 5 HB2 ALA 5 -0.595 9.545 -2.285 28 HB3 ALA 5 HB3 ALA 5 -1.970 9.933 -3.342 29 H ALA 6 H ALA 6 -1.957 9.694 -6.001 30 HA ALA 6 HA ALA 6 -3.648 7.538 -6.692 31 HB1 ALA 6 HB1 ALA 6 -4.020 8.786 -8.777 32 HB2 ALA 6 HB2 ALA 6 -4.115 9.810 -7.460 33 HB3 ALA 6 HB3 ALA 6 -2.747 9.829 -8.428 34 H ALA 7 H ALA 7 -0.631 8.424 -8.193 35 HA ALA 7 HA ALA 7 -0.412 6.317 -10.028 36 HB1 ALA 7 HB1 ALA 7 1.852 7.032 -10.055 37 HB2 ALA 7 HB2 ALA 7 1.016 8.296 -10.046 38 HB3 ALA 7 HB3 ALA 7 1.776 7.798 -8.820 39 H ALA 8 H ALA 8 0.454 6.312 -6.572 40 HA ALA 8 HA ALA 8 1.847 3.785 -6.833 41 HB1 ALA 8 HB1 ALA 8 2.343 4.930 -4.966 42 HB2 ALA 8 HB2 ALA 8 1.543 4.412 -4.390 43 HB3 ALA 8 HB3 ALA 8 1.373 5.432 -4.701 44 H ILE 9 H ILE 9 -1.152 4.905 -5.568 45 HA ILE 9 HA ILE 9 -2.017 2.475 -4.352 46 HB ILE 9 HB ILE 9 -3.565 4.906 -4.959 47 HG12 ILE 9 HG12 ILE 9 -1.405 5.184 -3.582 48 HG13 ILE 9 HG13 ILE 9 -2.904 5.897 -3.053 49 HG21 ILE 9 HG21 ILE 9 -4.040 2.468 -3.323 50 HG22 ILE 9 HG22 ILE 9 -4.785 3.945 -2.817 51 HG23 ILE 9 HG23 ILE 9 -5.126 3.320 -4.420 52 HD11 ILE 9 HD11 ILE 9 -3.152 4.090 -1.379 53 HD12 ILE 9 HD12 ILE 9 -1.674 3.329 -1.988 54 HD13 ILE 9 HD13 ILE 9 -1.570 4.910 -1.243 55 H LYS 10 H LYS 10 -2.728 4.040 -7.450 56 HA LYS 10 HA LYS 10 -5.005 2.409 -8.048 57 HB2 LYS 10 HB2 LYS 10 -3.216 4.327 -9.587 58 HB3 LYS 10 HB3 LYS 10 -4.452 3.410 -10.419 59 HG2 LYS 10 HG2 LYS 10 -6.184 4.343 -8.923 60 HG3 LYS 10 HG3 LYS 10 -4.973 5.291 -8.105 61 HD2 LYS 10 HD2 LYS 10 -5.924 6.801 -9.623 62 HD3 LYS 10 HD3 LYS 10 -4.404 6.305 -10.347 63 HE2 LYS 10 HE2 LYS 10 -5.610 4.639 -11.752 64 HE3 LYS 10 HE3 LYS 10 -7.105 5.177 -11.024 65 HZ1 LYS 10 HZ1 LYS 10 -6.754 6.282 -13.080 66 HZ2 LYS 10 HZ2 LYS 10 -6.707 7.315 -11.900 67 HZ3 LYS 10 HZ3 LYS 10 -5.398 6.881 -12.582 68 H ALA 11 H ALA 11 -1.581 1.940 -8.403 69 HA ALA 11 HA ALA 11 -1.953 -0.459 -10.018 70 HB1 ALA 11 HB1 ALA 11 0.331 0.501 -8.317 71 HB2 ALA 11 HB2 ALA 11 0.347 -0.893 -9.259 72 HB3 ALA 11 HB3 ALA 11 0.209 0.569 -10.004 73 H ILE 12 H ILE 12 -1.339 0.162 -6.480 74 HA ILE 12 HA ILE 12 -1.423 -2.632 -6.053 75 HB ILE 12 HB ILE 12 -0.088 -1.071 -4.704 76 HG12 ILE 12 HG12 ILE 12 -2.059 -2.714 -3.247 77 HG13 ILE 12 HG13 ILE 12 -0.731 -3.315 -4.083 78 HG21 ILE 12 HG21 ILE 12 -1.053 0.069 -2.839 79 HG22 ILE 12 HG22 ILE 12 -1.707 0.565 -4.359 80 HG23 ILE 12 HG23 ILE 12 -2.604 -0.426 -3.349 81 HD11 ILE 12 HD11 ILE 12 -0.135 -3.177 -1.819 82 HD12 ILE 12 HD12 ILE 12 0.526 -2.294 -2.314 83 HD13 ILE 12 HD13 ILE 12 -0.449 -2.038 -1.670 84 H ALA 13 H ALA 13 -4.037 -0.215 -5.503 85 HA ALA 13 HA ALA 13 -5.677 -2.201 -4.301 86 HB1 ALA 13 HB1 ALA 13 -6.168 0.178 -4.082 87 HB2 ALA 13 HB2 ALA 13 -6.494 0.262 -5.818 88 HB3 ALA 13 HB3 ALA 13 -7.511 -0.699 -4.766 89 H ALA 14 H ALA 14 -4.898 -1.681 -7.605 90 HA ALA 14 HA ALA 14 -7.094 -3.307 -8.611 91 HB1 ALA 14 HB1 ALA 14 -4.720 -2.105 -10.045 92 HB2 ALA 14 HB2 ALA 14 -5.960 -2.960 -10.807 93 HB3 ALA 14 HB3 ALA 14 -6.352 -1.475 -9.976 94 H ILE 15 H ILE 15 -3.702 -3.627 -8.075 95 HA ILE 15 HA ILE 15 -3.474 -6.370 -8.865 96 HB ILE 15 HB ILE 15 -1.774 -4.769 -7.004 97 HG12 ILE 15 HG12 ILE 15 -1.037 -5.533 -9.801 98 HG13 ILE 15 HG13 ILE 15 -1.988 -4.097 -9.533 99 HG21 ILE 15 HG21 ILE 15 -1.385 -7.143 -6.677 100 HG22 ILE 15 HG22 ILE 15 -1.312 -7.395 -8.345 101 HG23 ILE 15 HG23 ILE 15 -0.042 -6.464 -7.544 102 HD11 ILE 15 HD11 ILE 15 0.218 -3.389 -9.645 103 HD12 ILE 15 HD12 ILE 15 -0.187 -3.273 -8.025 104 HD13 ILE 15 HD13 ILE 15 0.802 -4.527 -8.569 105 H ILE 16 H ILE 16 -4.110 -4.920 -5.689 106 HA ILE 16 HA ILE 16 -4.521 -7.152 -4.207 107 HB ILE 16 HB ILE 16 -5.671 -4.428 -4.133 108 HG12 ILE 16 HG12 ILE 16 -3.809 -6.194 -2.476 109 HG13 ILE 16 HG13 ILE 16 -3.324 -4.950 -3.578 110 HG21 ILE 16 HG21 ILE 16 -7.413 -5.817 -3.108 111 HG22 ILE 16 HG22 ILE 16 -6.205 -6.531 -2.034 112 HG23 ILE 16 HG23 ILE 16 -6.641 -4.804 -1.956 113 HD11 ILE 16 HD11 ILE 16 -4.463 -3.303 -2.012 114 HD12 ILE 16 HD12 ILE 16 -4.611 -4.665 -0.878 115 HD13 ILE 16 HD13 ILE 16 -3.020 -4.100 -1.354 116 H LYS 17 H LYS 17 -6.908 -5.625 -6.234 117 HA LYS 17 HA LYS 17 -9.030 -7.418 -5.706 118 HB2 LYS 17 HB2 LYS 17 -9.462 -5.279 -6.608 119 HB3 LYS 17 HB3 LYS 17 -8.364 -5.589 -7.938 120 HG2 LYS 17 HG2 LYS 17 -10.581 -5.641 -8.766 121 HG3 LYS 17 HG3 LYS 17 -9.900 -7.226 -8.867 122 HD2 LYS 17 HD2 LYS 17 -12.041 -7.631 -8.117 123 HD3 LYS 17 HD3 LYS 17 -11.177 -7.642 -6.670 124 HE2 LYS 17 HE2 LYS 17 -11.772 -5.412 -6.156 125 HE3 LYS 17 HE3 LYS 17 -12.521 -5.345 -7.670 126 HZ1 LYS 17 HZ1 LYS 17 -13.394 -6.897 -5.459 127 HZ2 LYS 17 HZ2 LYS 17 -14.157 -5.797 -6.100 128 HZ3 LYS 17 HZ3 LYS 17 -13.965 -7.088 -6.819 129 H ALA 18 H ALA 18 -6.197 -7.801 -7.740 130 HA ALA 18 HA ALA 18 -7.298 -10.143 -9.042 131 HB1 ALA 18 HB1 ALA 18 -4.576 -8.884 -9.220 132 HB2 ALA 18 HB2 ALA 18 -5.202 -10.202 -10.185 133 HB3 ALA 18 HB3 ALA 18 -5.907 -8.682 -10.356 134 H GLY 19 H GLY 19 -4.727 -9.388 -6.687 135 HA2 GLY 19 HA2 GLY 19 -3.869 -11.942 -6.264 136 HA3 GLY 19 HA3 GLY 19 -3.625 -10.606 -5.188 137 H GLY 20 H GLY 20 -6.232 -10.093 -4.438 138 HA2 GLY 20 HA2 GLY 20 -7.940 -10.905 -3.125 139 HA3 GLY 20 HA3 GLY 20 -7.362 -12.517 -3.306 140 H PHE 21 H PHE 21 -5.905 -9.635 -1.965 141 HA PHE 21 HA PHE 21 -4.421 -10.903 0.032 142 HB2 PHE 21 HB2 PHE 21 -5.117 -8.071 -0.428 143 HB3 PHE 21 HB3 PHE 21 -4.011 -8.662 0.793 144 HD1 PHE 21 HD1 PHE 21 -4.535 -8.700 -2.876 145 HD2 PHE 21 HD2 PHE 21 -1.716 -8.987 0.314 146 HE1 PHE 21 HE1 PHE 21 -2.694 -7.999 -4.408 147 HE2 PHE 21 HE2 PHE 21 0.112 -8.588 -1.274 148 HZ PHE 21 HZ PHE 21 -0.399 -8.096 -3.622 149 H ALA 24 H ALA 24 -1.975 -14.503 -0.157 150 HA ALA 24 HA ALA 24 -0.497 -12.200 -0.727 151 HB1 ALA 24 HB1 ALA 24 0.210 -14.514 1.072 152 HB2 ALA 24 HB2 ALA 24 0.934 -12.975 1.039 153 HB3 ALA 24 HB3 ALA 24 -0.725 -13.073 1.495 154 H LYS 25 H LYS 25 -0.377 -14.947 -2.426 155 HA LYS 25 HA LYS 25 2.254 -15.225 -3.302 156 HB2 LYS 25 HB2 LYS 25 -0.335 -15.341 -4.772 157 HB3 LYS 25 HB3 LYS 25 1.202 -15.694 -5.467 158 HG2 LYS 25 HG2 LYS 25 1.595 -17.437 -3.822 159 HG3 LYS 25 HG3 LYS 25 0.021 -17.159 -3.238 160 HD2 LYS 25 HD2 LYS 25 -1.031 -17.800 -5.272 161 HD3 LYS 25 HD3 LYS 25 0.498 -17.934 -5.992 162 HE2 LYS 25 HE2 LYS 25 1.152 -19.719 -4.575 163 HE3 LYS 25 HE3 LYS 25 -0.380 -19.591 -3.887 164 HZ1 LYS 25 HZ1 LYS 25 0.044 -20.217 -6.566 165 HZ2 LYS 25 HZ2 LYS 25 -0.334 -21.296 -5.587 166 HZ3 LYS 25 HZ3 LYS 25 -1.310 -20.229 -5.963 167 H ALA 26 H ALA 26 -0.013 -12.715 -3.921 168 HA ALA 26 HA ALA 26 1.445 -11.316 -5.939 169 HB1 ALA 26 HB1 ALA 26 -0.978 -11.507 -5.827 170 HB2 ALA 26 HB2 ALA 26 -1.034 -10.718 -4.317 171 HB3 ALA 26 HB3 ALA 26 -0.485 -9.828 -5.731 172 H ALA 27 H ALA 27 2.099 -11.453 -2.651 173 HA ALA 27 HA ALA 27 2.103 -8.626 -2.128 174 HB1 ALA 27 HB1 ALA 27 2.470 -9.350 0.128 175 HB2 ALA 27 HB2 ALA 27 1.263 -10.408 -0.581 176 HB3 ALA 27 HB3 ALA 27 2.903 -10.942 -0.390 177 H ALA 28 H ALA 28 4.410 -10.117 -3.715 178 HA ALA 28 HA ALA 28 6.326 -8.108 -2.789 179 HB1 ALA 28 HB1 ALA 28 7.869 -9.105 -4.338 180 HB2 ALA 28 HB2 ALA 28 7.389 -10.260 -3.159 181 HB3 ALA 28 HB3 ALA 28 6.760 -10.369 -4.755 182 H ALA 29 H ALA 29 4.769 -9.335 -5.655 183 HA ALA 29 HA ALA 29 5.373 -7.321 -7.442 184 HB1 ALA 29 HB1 ALA 29 2.970 -9.097 -7.447 185 HB2 ALA 29 HB2 ALA 29 3.606 -8.251 -8.770 186 HB3 ALA 29 HB3 ALA 29 4.529 -9.511 -8.039 187 H ALA 30 H ALA 30 2.534 -7.359 -5.203 188 HA ALA 30 HA ALA 30 1.414 -5.009 -6.401 189 HB1 ALA 30 HB1 ALA 30 -0.101 -5.179 -4.581 190 HB2 ALA 30 HB2 ALA 30 0.225 -6.772 -5.119 191 HB3 ALA 30 HB3 ALA 30 0.965 -6.206 -3.691 192 H ILE 31 H ILE 31 3.622 -5.658 -3.901 193 HA ILE 31 HA ILE 31 3.455 -3.133 -2.580 194 HB ILE 31 HB ILE 31 5.400 -5.405 -2.167 195 HG12 ILE 31 HG12 ILE 31 2.988 -6.017 -1.826 196 HG13 ILE 31 HG13 ILE 31 4.060 -6.182 -0.440 197 HG21 ILE 31 HG21 ILE 31 4.877 -2.837 -0.800 198 HG22 ILE 31 HG22 ILE 31 5.507 -4.182 0.096 199 HG23 ILE 31 HG23 ILE 31 6.385 -3.602 -1.300 200 HD11 ILE 31 HD11 ILE 31 3.167 -4.295 0.653 201 HD12 ILE 31 HD12 ILE 31 2.257 -3.831 -0.780 202 HD13 ILE 31 HD13 ILE 31 1.850 -5.256 0.103 203 H LYS 32 H LYS 32 5.676 -4.721 -4.832 204 HA LYS 32 HA LYS 32 7.750 -2.780 -4.911 205 HB2 LYS 32 HB2 LYS 32 6.589 -4.797 -6.859 206 HB3 LYS 32 HB3 LYS 32 7.921 -3.797 -7.341 207 HG2 LYS 32 HG2 LYS 32 9.295 -4.632 -5.484 208 HG3 LYS 32 HG3 LYS 32 7.980 -5.633 -4.944 209 HD2 LYS 32 HD2 LYS 32 7.981 -6.863 -7.057 210 HD3 LYS 32 HD3 LYS 32 9.271 -5.896 -7.652 211 HE2 LYS 32 HE2 LYS 32 10.231 -6.745 -5.210 212 HE3 LYS 32 HE3 LYS 32 9.448 -7.965 -5.843 213 HZ1 LYS 32 HZ1 LYS 32 10.473 -7.926 -7.490 214 HZ2 LYS 32 HZ2 LYS 32 11.336 -8.293 -6.294 215 HZ3 LYS 32 HZ3 LYS 32 11.268 -6.985 -6.979 216 H ALA 33 H ALA 33 4.678 -2.969 -6.570 217 HA ALA 33 HA ALA 33 5.005 -0.547 -8.061 218 HB1 ALA 33 HB1 ALA 33 3.616 -2.440 -8.735 219 HB2 ALA 33 HB2 ALA 33 2.478 -2.067 -7.471 220 HB3 ALA 33 HB3 ALA 33 2.773 -0.955 -8.767 221 H ILE 34 H ILE 34 4.511 -0.715 -4.699 222 HA ILE 34 HA ILE 34 3.773 2.090 -4.841 223 HB ILE 34 HB ILE 34 1.939 0.878 -3.937 224 HG12 ILE 34 HG12 ILE 34 3.462 2.194 -1.698 225 HG13 ILE 34 HG13 ILE 34 2.767 3.104 -2.990 226 HG21 ILE 34 HG21 ILE 34 3.842 -0.093 -1.830 227 HG22 ILE 34 HG22 ILE 34 2.094 -0.339 -1.850 228 HG23 ILE 34 HG23 ILE 34 3.103 -1.078 -3.030 229 HD11 ILE 34 HD11 ILE 34 0.742 2.521 -1.960 230 HD12 ILE 34 HD12 ILE 34 1.357 2.619 -1.107 231 HD13 ILE 34 HD13 ILE 34 1.014 1.679 -1.398 232 H ALA 35 H ALA 35 5.865 -0.325 -3.111 233 HA ALA 35 HA ALA 35 6.963 1.658 -1.495 234 HB1 ALA 35 HB1 ALA 35 8.703 -0.017 -1.117 235 HB2 ALA 35 HB2 ALA 35 7.110 -0.742 -1.083 236 HB3 ALA 35 HB3 ALA 35 8.136 -0.922 -2.499 237 H ALA 36 H ALA 36 7.719 0.800 -4.684 238 HA ALA 36 HA ALA 36 10.256 2.236 -4.842 239 HB1 ALA 36 HB1 ALA 36 10.212 1.694 -7.190 240 HB2 ALA 36 HB2 ALA 36 9.836 0.284 -6.232 241 HB3 ALA 36 HB3 ALA 36 8.545 1.145 -7.044 242 H ILE 37 H ILE 37 7.006 2.962 -5.231 243 HA ILE 37 HA ILE 37 7.395 5.533 -6.574 244 HB ILE 37 HB ILE 37 4.914 4.130 -5.664 245 HG12 ILE 37 HG12 ILE 37 4.368 3.995 -8.013 246 HG13 ILE 37 HG13 ILE 37 5.896 4.615 -8.469 247 HG21 ILE 37 HG21 ILE 37 5.310 6.730 -7.081 248 HG22 ILE 37 HG22 ILE 37 3.767 5.910 -6.998 249 HG23 ILE 37 HG23 ILE 37 4.522 6.512 -5.560 250 HD11 ILE 37 HD11 ILE 37 6.990 2.705 -7.907 251 HD12 ILE 37 HD12 ILE 37 5.723 2.095 -6.910 252 HD13 ILE 37 HD13 ILE 37 5.544 2.139 -8.650 253 H ILE 38 H ILE 38 6.271 4.339 -3.416 254 HA ILE 38 HA ILE 38 6.221 6.673 -1.924 255 HB ILE 38 HB ILE 38 7.174 3.903 -1.216 256 HG12 ILE 38 HG12 ILE 38 4.666 5.550 -0.664 257 HG13 ILE 38 HG13 ILE 38 4.764 4.255 -1.813 258 HG21 ILE 38 HG21 ILE 38 6.655 6.139 0.747 259 HG22 ILE 38 HG22 ILE 38 7.030 4.490 1.120 260 HG23 ILE 38 HG23 ILE 38 8.213 5.481 0.354 261 HD11 ILE 38 HD11 ILE 38 5.117 2.644 0.070 262 HD12 ILE 38 HD12 ILE 38 4.914 4.053 1.165 263 HD13 ILE 38 HD13 ILE 38 3.600 3.526 0.201 264 H LYS 39 H LYS 39 9.108 4.838 -2.701 265 HA LYS 39 HA LYS 39 11.009 6.411 -1.519 266 HB2 LYS 39 1HB LYS 39 11.451 4.268 -2.393 267 HB3 LYS 39 2HB LYS 39 10.904 4.781 -3.986 268 HG2 LYS 39 1HG LYS 39 13.232 4.547 -4.128 269 HG3 LYS 39 2HG LYS 39 12.806 6.212 -4.174 270 HD2 LYS 39 1HD LYS 39 14.431 6.447 -2.696 271 HD3 LYS 39 2HD LYS 39 13.352 5.887 -1.710 272 HE2 LYS 39 1HE LYS 39 13.934 3.864 -1.624 273 HE3 LYS 39 2HE LYS 39 14.941 4.413 -2.693 274 HZ1 LYS 39 1HZ LYS 39 15.938 4.558 -0.609 275 HZ2 LYS 39 2HZ LYS 39 15.943 5.229 -1.061 276 HZ3 LYS 39 3HZ LYS 39 15.444 5.159 -0.510 277 H ALA 40 H ALA 40 9.292 7.118 -4.452 278 HA ALA 40 HA ALA 40 10.910 9.478 -5.022 279 HB1 ALA 40 HB1 ALA 40 10.186 8.156 -6.906 280 HB2 ALA 40 HB2 ALA 40 8.528 8.262 -6.432 281 HB3 ALA 40 HB3 ALA 40 9.457 9.658 -6.967 282 H GLY 41 H GLY 41 7.529 8.710 -4.046 283 HA2 GLY 41 HA2 GLY 41 6.664 11.302 -3.986 284 HA3 GLY 41 HA3 GLY 41 5.900 9.911 -3.184 285 H GLY 42 H GLY 42 7.797 9.339 -1.240 286 HA2 GLY 42 HA2 GLY 42 8.612 10.082 0.791 287 HA3 GLY 42 HA3 GLY 42 8.257 11.729 0.350 288 H PHE 43 H PHE 43 6.090 8.968 0.567 289 HA PHE 43 HA PHE 43 3.878 10.357 1.332 290 HB2 PHE 43 HB2 PHE 43 4.563 7.499 1.473 291 HB3 PHE 43 HB3 PHE 43 2.986 8.107 1.909 292 HD1 PHE 43 HD1 PHE 43 5.350 8.262 -0.963 293 HD2 PHE 43 HD2 PHE 43 1.311 7.863 0.363 294 HE1 PHE 43 HE1 PHE 43 4.687 7.503 -3.179 295 HE2 PHE 43 HE2 PHE 43 0.627 7.215 -1.806 296 HZ PHE 43 HZ PHE 43 2.338 7.117 -3.687 297 H ALA 46 H ALA 46 -6.923 11.595 -2.223 298 HA ALA 46 HA ALA 46 -5.340 9.905 -0.576 299 HB1 ALA 46 HB1 ALA 46 -4.602 10.613 -2.737 300 HB2 ALA 46 HB2 ALA 46 -4.495 12.244 -2.203 301 HB3 ALA 46 HB3 ALA 46 -3.509 11.043 -1.485 302 H LYS 47 H LYS 47 -7.187 12.316 0.332 303 HA LYS 47 HA LYS 47 -5.819 13.792 2.286 304 HB2 LYS 47 1HB LYS 47 -8.624 12.683 2.143 305 HB3 LYS 47 2HB LYS 47 -8.077 13.735 3.419 306 HG2 LYS 47 1HG LYS 47 -7.756 15.572 1.984 307 HG3 LYS 47 2HG LYS 47 -7.765 14.516 0.586 308 HD2 LYS 47 1HD LYS 47 -9.812 15.767 0.638 309 HD3 LYS 47 2HD LYS 47 -10.092 14.062 0.848 310 HE2 LYS 47 1HE LYS 47 -10.213 14.316 3.255 311 HE3 LYS 47 2HE LYS 47 -9.993 15.980 3.041 312 HZ1 LYS 47 1HZ LYS 47 -11.925 15.321 2.020 313 HZ2 LYS 47 2HZ LYS 47 -12.287 15.067 2.551 314 HZ3 LYS 47 3HZ LYS 47 -12.209 15.675 2.511 315 H ALA 48 H ALA 48 -6.813 10.493 2.265 316 HA ALA 48 HA ALA 48 -6.224 9.943 5.046 317 HB1 ALA 48 HB1 ALA 48 -8.094 8.942 3.853 318 HB2 ALA 48 HB2 ALA 48 -6.970 8.295 2.658 319 HB3 ALA 48 HB3 ALA 48 -6.977 7.679 4.286 320 H ALA 49 H ALA 49 -4.293 10.254 2.344 321 HA ALA 49 HA ALA 49 -3.055 7.746 2.522 322 HB1 ALA 49 HB1 ALA 49 -2.167 10.145 0.893 323 HB2 ALA 49 HB2 ALA 49 -1.731 8.504 0.585 324 HB3 ALA 49 HB3 ALA 49 -3.420 8.969 0.398 325 H ALA 50 H ALA 50 -1.799 10.795 3.667 326 HA ALA 50 HA ALA 50 0.771 9.822 4.407 327 HB1 ALA 50 HB1 ALA 50 -0.849 12.023 5.695 328 HB2 ALA 50 HB2 ALA 50 0.813 11.711 5.891 329 HB3 ALA 50 HB3 ALA 50 0.250 12.252 4.334 330 H ALA 51 H ALA 51 -2.193 10.122 6.281 331 HA ALA 51 HA ALA 51 -1.239 8.731 8.559 332 HB1 ALA 51 HB1 ALA 51 -3.561 8.701 9.211 333 HB2 ALA 51 HB2 ALA 51 -3.106 10.266 8.608 334 HB3 ALA 51 HB3 ALA 51 -4.039 9.190 7.644 335 H ALA 52 H ALA 52 -2.362 7.409 5.495 336 HA ALA 52 HA ALA 52 -2.883 4.753 6.553 337 HB1 ALA 52 HB1 ALA 52 -2.952 4.186 4.232 338 HB2 ALA 52 HB2 ALA 52 -3.986 5.559 4.592 339 HB3 ALA 52 HB3 ALA 52 -2.450 5.740 3.749 340 H ILE 53 H ILE 53 -0.326 6.362 4.617 341 HA ILE 53 HA ILE 53 1.176 3.901 4.563 342 HB ILE 53 HB ILE 53 1.210 6.482 3.124 343 HG12 ILE 53 HG12 ILE 53 1.195 3.557 2.293 344 HG13 ILE 53 HG13 ILE 53 -0.280 4.360 2.783 345 HG21 ILE 53 HG21 ILE 53 3.135 5.624 1.831 346 HG22 ILE 53 HG22 ILE 53 3.513 6.174 3.448 347 HG23 ILE 53 HG23 ILE 53 3.442 4.461 3.094 348 HD11 ILE 53 HD11 ILE 53 1.503 5.198 0.556 349 HD12 ILE 53 HD12 ILE 53 -0.121 4.446 0.458 350 HD13 ILE 53 HD13 ILE 53 0.037 6.044 1.148 351 H LYS 54 H LYS 54 1.303 6.734 6.518 352 HA LYS 54 HA LYS 54 4.059 6.281 7.287 353 HB2 LYS 54 HB2 LYS 54 1.782 7.902 8.491 354 HB3 LYS 54 HB3 LYS 54 3.341 7.796 9.270 355 HG2 LYS 54 HG2 LYS 54 4.447 8.781 7.307 356 HG3 LYS 54 HG3 LYS 54 2.905 8.835 6.474 357 HD2 LYS 54 HD2 LYS 54 1.982 10.361 8.131 358 HD3 LYS 54 HD3 LYS 54 3.458 10.265 9.026 359 HE2 LYS 54 HE2 LYS 54 3.416 11.138 6.133 360 HE3 LYS 54 HE3 LYS 54 3.082 12.235 7.449 361 HZ1 LYS 54 HZ1 LYS 54 5.492 10.782 7.167 362 HZ2 LYS 54 HZ2 LYS 54 5.295 12.325 6.841 363 HZ3 LYS 54 HZ3 LYS 54 5.186 11.793 8.314 364 H ALA 55 H ALA 55 1.166 4.798 8.137 365 HA ALA 55 HA ALA 55 2.491 3.124 10.087 366 HB1 ALA 55 HB1 ALA 55 0.125 3.447 10.379 367 HB2 ALA 55 HB2 ALA 55 -0.199 2.782 8.770 368 HB3 ALA 55 HB3 ALA 55 0.467 1.792 10.031 369 H ILE 56 H ILE 56 1.217 2.763 6.753 370 HA ILE 56 HA ILE 56 2.124 0.107 6.702 371 HB ILE 56 HB ILE 56 0.656 1.809 4.865 372 HG12 ILE 56 HG12 ILE 56 -0.563 -0.360 4.590 373 HG13 ILE 56 HG13 ILE 56 0.489 -0.998 5.826 374 HG21 ILE 56 HG21 ILE 56 2.395 1.028 3.304 375 HG22 ILE 56 HG22 ILE 56 2.020 -0.626 3.740 376 HG23 ILE 56 HG23 ILE 56 0.829 0.396 2.949 377 HD11 ILE 56 HD11 ILE 56 -1.344 -0.058 6.963 378 HD12 ILE 56 HD12 ILE 56 -0.657 0.781 7.106 379 HD13 ILE 56 HD13 ILE 56 -1.476 0.845 6.365 380 H ALA 57 H ALA 57 3.829 2.884 5.415 381 HA ALA 57 HA ALA 57 5.854 1.326 4.168 382 HB1 ALA 57 HB1 ALA 57 6.054 4.063 5.350 383 HB2 ALA 57 HB2 ALA 57 7.193 3.375 4.281 384 HB3 ALA 57 HB3 ALA 57 5.582 3.670 3.745 385 H ALA 58 H ALA 58 5.325 2.078 7.513 386 HA ALA 58 HA ALA 58 7.966 1.295 8.468 387 HB1 ALA 58 HB1 ALA 58 5.513 2.006 10.062 388 HB2 ALA 58 HB2 ALA 58 7.137 1.855 10.595 389 HB3 ALA 58 HB3 ALA 58 6.719 3.119 9.474 390 H ILE 59 H ILE 59 4.799 -0.062 8.128 391 HA ILE 59 HA ILE 59 5.300 -2.595 9.427 392 HB ILE 59 HB ILE 59 3.132 -1.424 7.696 393 HG12 ILE 59 1HG1 ILE 59 2.952 -2.369 10.540 394 HG13 ILE 59 2HG1 ILE 59 3.467 -0.749 10.158 395 HG21 ILE 59 1HG2 ILE 59 1.780 -3.381 8.011 396 HG22 ILE 59 2HG2 ILE 59 3.221 -3.845 7.219 397 HG23 ILE 59 3HG2 ILE 59 3.097 -4.149 8.934 398 HD11 ILE 59 1HD1 ILE 59 1.056 -1.089 9.748 399 HD12 ILE 59 2HD1 ILE 59 1.124 -0.853 9.741 400 HD13 ILE 59 3HD1 ILE 59 1.091 -0.963 9.534 401 H ILE 60 H ILE 60 5.317 -1.459 6.047 402 HA ILE 60 HA ILE 60 6.486 -3.762 5.030 403 HB ILE 60 HB ILE 60 6.723 -0.879 4.189 404 HG12 ILE 60 HG12 ILE 60 5.295 -3.350 3.130 405 HG13 ILE 60 HG13 ILE 60 4.542 -2.105 4.081 406 HG21 ILE 60 HG21 ILE 60 7.765 -3.224 2.649 407 HG22 ILE 60 HG22 ILE 60 7.653 -1.613 2.050 408 HG23 ILE 60 HG23 ILE 60 8.734 -1.917 3.345 409 HD11 ILE 60 HD11 ILE 60 4.968 -0.502 2.162 410 HD12 ILE 60 HD12 ILE 60 5.566 -1.884 1.275 411 HD13 ILE 60 HD13 ILE 60 3.953 -1.837 1.781 412 H LYS 61 H LYS 61 8.205 -1.087 6.508 413 HA LYS 61 HA LYS 61 10.797 -2.220 6.254 414 HB2 LYS 61 HB2 LYS 61 10.466 0.092 6.581 415 HB3 LYS 61 HB3 LYS 61 9.510 -0.202 8.027 416 HG2 LYS 61 HG2 LYS 61 11.630 0.663 8.685 417 HG3 LYS 61 HG3 LYS 61 11.440 -1.002 9.184 418 HD2 LYS 61 HD2 LYS 61 13.686 -0.723 8.443 419 HD3 LYS 61 HD3 LYS 61 12.826 -1.692 7.269 420 HE2 LYS 61 HE2 LYS 61 14.070 -0.252 6.001 421 HE3 LYS 61 HE3 LYS 61 12.577 0.371 5.995 422 HZ1 LYS 61 HZ1 LYS 61 14.326 1.367 7.544 423 HZ2 LYS 61 HZ2 LYS 61 14.127 2.009 6.330 424 HZ3 LYS 61 HZ3 LYS 61 13.114 1.822 7.317 425 H ALA 62 H ALA 62 8.239 -3.023 8.423 426 HA ALA 62 HA ALA 62 9.935 -4.676 10.137 427 HB1 ALA 62 HB1 ALA 62 6.892 -4.316 10.062 428 HB2 ALA 62 HB2 ALA 62 7.800 -5.219 11.228 429 HB3 ALA 62 HB3 ALA 62 8.018 -3.532 11.150 430 H GLY 63 H GLY 63 7.437 -5.160 7.624 431 HA2 GLY 63 HA2 GLY 63 7.542 -7.927 7.620 432 HA3 GLY 63 HA3 GLY 63 6.956 -6.911 6.334 433 H GLY 64 H GLY 64 9.055 -5.754 5.267 434 HA2 GLY 64 HA2 GLY 64 10.979 -6.086 3.983 435 HA3 GLY 64 HA3 GLY 64 11.052 -7.722 4.515 436 H PHE 65 H PHE 65 8.265 -6.091 3.074 437 HA PHE 65 HA PHE 65 7.233 -8.137 1.684 438 HB2 PHE 65 HB2 PHE 65 6.949 -5.240 1.276 439 HB3 PHE 65 HB3 PHE 65 6.063 -6.429 0.382 440 HD1 PHE 65 HD1 PHE 65 6.723 -5.288 3.841 441 HD2 PHE 65 HD2 PHE 65 4.124 -7.538 1.314 442 HE1 PHE 65 HE1 PHE 65 4.864 -4.915 5.425 443 HE2 PHE 65 HE2 PHE 65 2.342 -7.278 2.889 444 HZ PHE 65 HZ PHE 65 2.705 -5.965 4.983 445 H ALA 68 H ALA 68 6.179 -11.826 2.985 446 HA ALA 68 HA ALA 68 4.010 -10.116 3.666 447 HB1 ALA 68 HB1 ALA 68 4.258 -11.430 1.596 448 HB2 ALA 68 HB2 ALA 68 4.040 -12.892 2.459 449 HB3 ALA 68 HB3 ALA 68 2.734 -11.704 2.374 450 H LYS 69 H LYS 69 5.585 -12.138 5.683 451 HA LYS 69 HA LYS 69 3.694 -13.048 7.457 452 HB2 LYS 69 HB2 LYS 69 6.251 -11.483 7.904 453 HB3 LYS 69 HB3 LYS 69 5.394 -12.261 9.194 454 HG2 LYS 69 HG2 LYS 69 5.723 -14.430 8.243 455 HG3 LYS 69 HG3 LYS 69 6.441 -13.781 6.830 456 HD2 LYS 69 HD2 LYS 69 8.240 -12.775 8.095 457 HD3 LYS 69 HD3 LYS 69 7.576 -13.578 9.411 458 HE2 LYS 69 HE2 LYS 69 7.817 -15.707 8.467 459 HE3 LYS 69 HE3 LYS 69 8.455 -14.908 7.135 460 HZ1 LYS 69 HZ1 LYS 69 10.192 -14.246 8.430 461 HZ2 LYS 69 HZ2 LYS 69 9.690 -15.000 9.586 462 HZ3 LYS 69 HZ3 LYS 69 10.205 -15.720 8.408 463 H ALA 70 H ALA 70 4.584 -9.807 6.772 464 HA ALA 70 HA ALA 70 2.836 -8.563 8.738 465 HB1 ALA 70 HB1 ALA 70 4.607 -7.509 6.570 466 HB2 ALA 70 HB2 ALA 70 3.884 -6.544 7.812 467 HB3 ALA 70 HB3 ALA 70 5.083 -7.708 8.201 468 H ALA 71 H ALA 71 2.120 -9.891 5.728 469 HA ALA 71 HA ALA 71 0.997 -7.687 4.436 470 HB1 ALA 71 HB1 ALA 71 0.042 -9.321 2.951 471 HB2 ALA 71 HB2 ALA 71 1.710 -9.707 3.307 472 HB3 ALA 71 HB3 ALA 71 0.419 -10.598 4.073 473 H ALA 72 H ALA 72 -0.815 -10.136 6.264 474 HA ALA 72 HA ALA 72 -3.237 -8.852 5.867 475 HB1 ALA 72 HB1 ALA 72 -4.024 -10.202 7.809 476 HB2 ALA 72 HB2 ALA 72 -3.074 -11.104 6.688 477 HB3 ALA 72 HB3 ALA 72 -2.440 -10.627 8.176 478 H ALA 73 H ALA 73 -0.813 -7.972 8.046 479 HA ALA 73 HA ALA 73 -2.364 -6.100 9.551 480 HB1 ALA 73 HB1 ALA 73 -0.532 -7.174 10.611 481 HB2 ALA 73 HB2 ALA 73 0.558 -6.647 9.460 482 HB3 ALA 73 HB3 ALA 73 -0.190 -5.534 10.516 483 H ALA 74 H ALA 74 -0.392 -5.903 6.575 484 HA ALA 74 HA ALA 74 -0.455 -2.998 6.694 485 HB1 ALA 74 HB1 ALA 74 1.533 -4.008 5.736 486 HB2 ALA 74 HB2 ALA 74 0.586 -4.879 4.572 487 HB3 ALA 74 HB3 ALA 74 0.681 -3.163 4.537 488 H ILE 75 H ILE 75 -1.719 -5.588 4.729 489 HA ILE 75 HA ILE 75 -2.967 -3.886 2.833 490 HB ILE 75 HB ILE 75 -3.618 -6.738 3.353 491 HG12 ILE 75 HG12 ILE 75 -1.162 -6.429 3.029 492 HG13 ILE 75 HG13 ILE 75 -1.969 -7.514 1.912 493 HG21 ILE 75 HG21 ILE 75 -3.897 -6.322 0.689 494 HG22 ILE 75 HG22 ILE 75 -5.129 -6.361 1.879 495 HG23 ILE 75 HG23 ILE 75 -4.462 -4.863 1.397 496 HD11 ILE 75 HD11 ILE 75 -1.789 -6.039 0.119 497 HD12 ILE 75 HD12 ILE 75 -1.421 -4.697 1.182 498 HD13 ILE 75 HD13 ILE 75 -0.245 -5.969 0.932 499 H LYS 76 H LYS 76 -4.149 -5.609 5.620 500 HA LYS 76 HA LYS 76 -6.965 -5.243 4.882 501 HB2 LYS 76 HB2 LYS 76 -5.678 -6.409 7.326 502 HB3 LYS 76 HB3 LYS 76 -7.412 -6.241 7.056 503 HG2 LYS 76 HG2 LYS 76 -7.316 -7.603 5.074 504 HG3 LYS 76 HG3 LYS 76 -5.593 -7.759 5.242 505 HD2 LYS 76 HD2 LYS 76 -6.523 -9.778 5.986 506 HD3 LYS 76 HD3 LYS 76 -5.884 -8.895 7.332 507 HE2 LYS 76 HE2 LYS 76 -8.117 -8.123 7.936 508 HE3 LYS 76 HE3 LYS 76 -8.726 -8.972 6.580 509 HZ1 LYS 76 HZ1 LYS 76 -7.481 -10.179 8.716 510 HZ2 LYS 76 HZ2 LYS 76 -8.943 -10.195 8.559 511 HZ3 LYS 76 HZ3 LYS 76 -8.074 -10.961 7.601 512 H ALA 77 H ALA 77 -4.707 -3.520 6.839 513 HA ALA 77 HA ALA 77 -6.654 -1.525 7.676 514 HB1 ALA 77 HB1 ALA 77 -3.669 -1.362 7.440 515 HB2 ALA 77 HB2 ALA 77 -4.688 -0.235 8.239 516 HB3 ALA 77 HB3 ALA 77 -4.466 -1.823 8.868 517 H ILE 78 H ILE 78 -4.198 -1.641 5.100 518 HA ILE 78 HA ILE 78 -4.954 0.965 4.283 519 HB ILE 78 HB ILE 78 -2.812 -0.499 3.957 520 HG12 ILE 78 HG12 ILE 78 -2.707 1.797 4.036 521 HG13 ILE 78 HG13 ILE 78 -1.797 1.226 2.664 522 HG21 ILE 78 HG21 ILE 78 -2.262 -0.933 1.707 523 HG22 ILE 78 HG22 ILE 78 -3.720 -1.826 2.141 524 HG23 ILE 78 HG23 ILE 78 -3.855 -0.380 1.176 525 HD11 ILE 78 HD11 ILE 78 -2.813 3.151 1.974 526 HD12 ILE 78 HD12 ILE 78 -3.693 1.934 1.192 527 HD13 ILE 78 HD13 ILE 78 -4.390 2.654 2.575 528 H ALA 79 H ALA 79 -5.981 -2.133 2.890 529 HA ALA 79 HA ALA 79 -7.350 -0.784 0.746 530 HB1 ALA 79 HB1 ALA 79 -6.762 -3.103 0.545 531 HB2 ALA 79 HB2 ALA 79 -7.785 -3.550 1.876 532 HB3 ALA 79 HB3 ALA 79 -8.428 -2.965 0.408 533 H ALA 80 H ALA 80 -8.196 -1.313 4.016 534 HA ALA 80 HA ALA 80 -11.024 -0.682 3.612 535 HB1 ALA 80 HB1 ALA 80 -11.130 -0.775 6.021 536 HB2 ALA 80 HB2 ALA 80 -10.359 -2.201 5.405 537 HB3 ALA 80 HB3 ALA 80 -9.392 -0.959 6.169 538 H ILE 81 H ILE 81 -8.126 0.882 4.748 539 HA ILE 81 HA ILE 81 -9.259 3.422 5.317 540 HB ILE 81 HB ILE 81 -6.466 2.555 4.645 541 HG12 ILE 81 1HG1 ILE 81 -7.460 3.604 7.265 542 HG13 ILE 81 2HG1 ILE 81 -7.632 1.911 6.906 543 HG21 ILE 81 1HG2 ILE 81 -6.558 4.833 3.996 544 HG22 ILE 81 2HG2 ILE 81 -7.443 5.281 5.429 545 HG23 ILE 81 3HG2 ILE 81 -5.789 4.806 5.559 546 HD11 ILE 81 1HD1 ILE 81 -5.394 2.090 7.044 547 HD12 ILE 81 2HD1 ILE 81 -5.080 2.741 7.123 548 HD13 ILE 81 3HD1 ILE 81 -5.411 2.415 7.616 549 H ILE 82 H ILE 82 -7.751 2.135 2.401 550 HA ILE 82 HA ILE 82 -8.332 4.223 0.630 551 HB ILE 82 HB ILE 82 -8.194 1.263 0.207 552 HG12 ILE 82 HG12 ILE 82 -6.408 3.588 -0.562 553 HG13 ILE 82 HG13 ILE 82 -6.134 2.595 0.829 554 HG21 ILE 82 HG21 ILE 82 -8.386 3.385 -1.936 555 HG22 ILE 82 HG22 ILE 82 -8.054 1.716 -2.247 556 HG23 ILE 82 HG23 ILE 82 -9.591 2.183 -1.664 557 HD11 ILE 82 HD11 ILE 82 -5.887 1.696 -2.029 558 HD12 ILE 82 HD12 ILE 82 -4.630 2.006 -0.932 559 HD13 ILE 82 HD13 ILE 82 -5.707 0.659 -0.626 560 H LYS 83 H LYS 83 -10.491 1.576 1.440 561 HA LYS 83 HA LYS 83 -12.606 2.395 -0.111 562 HB2 LYS 83 HB2 LYS 83 -12.582 0.225 0.783 563 HB3 LYS 83 HB3 LYS 83 -12.349 0.794 2.399 564 HG2 LYS 83 HG2 LYS 83 -14.550 -0.098 2.200 565 HG3 LYS 83 HG3 LYS 83 -14.612 1.623 2.470 566 HD2 LYS 83 HD2 LYS 83 -14.603 1.483 -0.282 567 HD3 LYS 83 HD3 LYS 83 -15.497 0.078 0.202 568 HE2 LYS 83 HE2 LYS 83 -16.990 1.323 1.553 569 HE3 LYS 83 HE3 LYS 83 -16.043 2.699 1.167 570 HZ1 LYS 83 HZ1 LYS 83 -17.860 2.721 -0.201 571 HZ2 LYS 83 HZ2 LYS 83 -16.652 2.382 -1.051 572 HZ3 LYS 83 HZ3 LYS 83 -17.664 1.325 -0.674 573 H ALA 84 H ALA 84 -11.522 3.693 2.891 574 HA ALA 84 HA ALA 84 -13.832 5.424 3.192 575 HB1 ALA 84 HB1 ALA 84 -12.694 6.163 5.165 576 HB2 ALA 84 HB2 ALA 84 -12.920 4.498 5.181 577 HB3 ALA 84 HB3 ALA 84 -11.348 5.114 4.827 578 H GLY 85 H GLY 85 -10.413 5.712 2.219 579 HA2 GLY 85 HA2 GLY 85 -10.429 8.519 2.073 580 HA3 GLY 85 HA3 GLY 85 -9.218 7.463 1.445 581 H GLY 86 H GLY 86 -10.250 6.134 -0.578 582 HA2 GLY 86 HA2 GLY 86 -11.041 6.367 -2.722 583 HA3 GLY 86 HA3 GLY 86 -11.428 7.996 -2.441 584 H PHE 87 H PHE 87 -8.499 6.124 -2.374 585 HA PHE 87 HA PHE 87 -6.709 8.208 -2.502 586 HB2 PHE 87 HB2 PHE 87 -6.434 5.294 -2.808 587 HB3 PHE 87 HB3 PHE 87 -5.089 6.370 -3.036 588 HD1 PHE 87 HD1 PHE 87 -7.814 5.974 -0.467 589 HD2 PHE 87 HD2 PHE 87 -3.639 6.598 -1.210 590 HE1 PHE 87 HE1 PHE 87 -7.302 5.592 1.890 591 HE2 PHE 87 HE2 PHE 87 -3.167 6.231 1.080 592 HZ PHE 87 HZ PHE 87 -5.034 5.876 2.706 593 H1 ACE 1 H1 ACE 1 4.646 13.610 -0.475 594 H2 ACE 1 H2 ACE 1 4.400 14.032 -0.681 595 H3 ACE 1 H3 ACE 1 4.282 13.856 -0.165 596 HN1 NH2 22 HN1 NH2 22 -7.664 -9.296 1.923 597 HN2 NH2 22 HN2 NH2 22 -7.249 -8.738 0.354 598 H1 ACE 23 H1 ACE 23 -3.590 -15.170 -2.080 599 H2 ACE 23 H2 ACE 23 -3.958 -14.714 -2.043 600 H3 ACE 23 H3 ACE 23 -3.660 -14.842 -2.567 601 HN1 NH2 44 HN1 NH2 44 5.346 9.039 4.854 602 HN2 NH2 44 HN2 NH2 44 5.994 8.417 3.401 603 H1 ACE 45 H1 ACE 45 -9.411 11.743 -1.265 604 H2 ACE 45 H2 ACE 45 -9.320 11.295 -2.063 605 H3 ACE 45 H3 ACE 45 -9.807 10.912 -1.368 606 HN1 NH2 66 HN1 NH2 66 9.400 -6.403 -1.296 607 HN2 NH2 66 HN2 NH2 66 8.864 -5.514 0.040 608 H1 ACE 67 H1 ACE 67 8.550 -10.133 4.199 609 H2 ACE 67 H2 ACE 67 8.335 -11.189 4.842 610 H3 ACE 67 H3 ACE 67 8.246 -11.138 3.557 611 HN1 NH2 88 HN1 NH2 88 -6.917 6.900 -6.338 612 HN2 NH2 88 HN2 NH2 88 -7.512 5.907 -5.147 Start of MODEL 2 1 H1 ALA 2 H1 ALA 2 2.272 13.713 -1.353 2 HA ALA 2 HA ALA 2 1.297 11.433 -2.641 3 HB1 ALA 2 HB1 ALA 2 0.221 12.467 -0.698 4 HB2 ALA 2 HB2 ALA 2 -0.139 13.836 -1.622 5 HB3 ALA 2 HB3 ALA 2 -0.820 12.354 -2.037 6 H LYS 3 H LYS 3 2.534 14.003 -4.206 7 HA LYS 3 HA LYS 3 0.941 14.252 -6.532 8 HB2 LYS 3 HB2 LYS 3 3.924 14.111 -6.142 9 HB3 LYS 3 HB3 LYS 3 3.199 14.460 -7.672 10 HG2 LYS 3 HG2 LYS 3 2.613 16.088 -5.209 11 HG3 LYS 3 HG3 LYS 3 3.932 16.433 -6.299 12 HD2 LYS 3 HD2 LYS 3 2.535 16.792 -8.144 13 HD3 LYS 3 HD3 LYS 3 1.190 16.462 -7.159 14 HE2 LYS 3 HE2 LYS 3 1.549 18.257 -5.733 15 HE3 LYS 3 HE3 LYS 3 2.994 18.529 -6.514 16 HZ1 LYS 3 HZ1 LYS 3 1.154 19.804 -7.284 17 HZ2 LYS 3 HZ2 LYS 3 1.909 19.368 -8.098 18 HZ3 LYS 3 HZ3 LYS 3 0.838 18.773 -7.928 19 H ALA 4 H ALA 4 2.913 11.714 -5.291 20 HA ALA 4 HA ALA 4 2.780 9.997 -7.620 21 HB1 ALA 4 HB1 ALA 4 4.761 10.196 -6.266 22 HB2 ALA 4 HB2 ALA 4 3.871 9.613 -4.855 23 HB3 ALA 4 HB3 ALA 4 4.155 8.568 -6.216 24 H ALA 5 H ALA 5 0.403 10.690 -5.459 25 HA ALA 5 HA ALA 5 0.206 8.334 -4.089 26 HB1 ALA 5 HB1 ALA 5 -0.801 10.307 -3.182 27 HB2 ALA 5 HB2 ALA 5 -1.892 10.425 -4.541 28 HB3 ALA 5 HB3 ALA 5 -2.043 9.124 -3.370 29 H ALA 6 H ALA 6 -1.941 9.157 -6.810 30 HA ALA 6 HA ALA 6 -3.292 6.714 -6.648 31 HB1 ALA 6 HB1 ALA 6 -4.071 7.228 -8.943 32 HB2 ALA 6 HB2 ALA 6 -4.189 8.606 -7.858 33 HB3 ALA 6 HB3 ALA 6 -2.914 8.499 -9.030 34 H ALA 7 H ALA 7 -0.275 7.379 -8.087 35 HA ALA 7 HA ALA 7 -0.095 4.923 -9.606 36 HB1 ALA 7 HB1 ALA 7 2.255 5.538 -9.847 37 HB2 ALA 7 HB2 ALA 7 1.275 6.906 -10.241 38 HB3 ALA 7 HB3 ALA 7 2.080 6.832 -8.731 39 H ALA 8 H ALA 8 0.886 5.893 -6.305 40 HA ALA 8 HA ALA 8 1.771 3.242 -5.710 41 HB1 ALA 8 HB1 ALA 8 1.635 4.106 -3.385 42 HB2 ALA 8 HB2 ALA 8 2.503 5.209 -4.429 43 HB3 ALA 8 HB3 ALA 8 0.838 5.529 -4.003 44 H ILE 9 H ILE 9 -1.106 4.880 -4.324 45 HA ILE 9 HA ILE 9 -1.650 2.317 -3.260 46 HB ILE 9 HB ILE 9 -3.034 3.190 -1.799 47 HG12 ILE 9 HG12 ILE 9 -4.735 4.241 -3.105 48 HG13 ILE 9 HG13 ILE 9 -4.220 5.287 -1.816 49 HG21 ILE 9 HG21 ILE 9 -1.206 5.491 -2.375 50 HG22 ILE 9 HG22 ILE 9 -2.042 5.186 -0.889 51 HG23 ILE 9 HG23 ILE 9 -0.828 4.013 -1.492 52 HD11 ILE 9 HD11 ILE 9 -2.953 6.680 -3.366 53 HD12 ILE 9 HD12 ILE 9 -3.115 5.449 -4.605 54 HD13 ILE 9 HD13 ILE 9 -4.492 6.407 -4.115 55 H LYS 10 H LYS 10 -2.771 3.902 -6.012 56 HA LYS 10 HA LYS 10 -5.391 2.509 -5.937 57 HB2 LYS 10 HB2 LYS 10 -4.453 5.039 -7.000 58 HB3 LYS 10 HB3 LYS 10 -5.336 4.142 -8.196 59 HG2 LYS 10 HG2 LYS 10 -6.387 4.683 -5.441 60 HG3 LYS 10 HG3 LYS 10 -6.655 5.731 -6.791 61 HD2 LYS 10 HD2 LYS 10 -7.534 2.862 -6.716 62 HD3 LYS 10 HD3 LYS 10 -8.550 4.203 -6.330 63 HE2 LYS 10 HE2 LYS 10 -8.197 5.170 -8.517 64 HE3 LYS 10 HE3 LYS 10 -7.283 3.785 -8.909 65 HZ1 LYS 10 HZ1 LYS 10 -10.024 3.689 -8.175 66 HZ2 LYS 10 HZ2 LYS 10 -9.564 3.646 -9.627 67 HZ3 LYS 10 HZ3 LYS 10 -9.227 2.473 -8.682 68 H ALA 11 H ALA 11 -2.454 2.601 -7.745 69 HA ALA 11 HA ALA 11 -3.097 0.525 -9.618 70 HB1 ALA 11 HB1 ALA 11 -0.715 0.153 -9.658 71 HB2 ALA 11 HB2 ALA 11 -1.112 1.874 -9.849 72 HB3 ALA 11 HB3 ALA 11 -0.452 1.260 -8.346 73 H ILE 12 H ILE 12 -1.669 0.594 -6.372 74 HA ILE 12 HA ILE 12 -1.720 -2.221 -6.055 75 HB ILE 12 HB ILE 12 -1.174 0.108 -4.339 76 HG12 ILE 12 HG12 ILE 12 0.774 -1.233 -3.768 77 HG13 ILE 12 HG13 ILE 12 0.170 -2.546 -4.694 78 HG21 ILE 12 HG21 ILE 12 -2.651 -1.112 -2.888 79 HG22 ILE 12 HG22 ILE 12 -1.756 -2.534 -3.085 80 HG23 ILE 12 HG23 ILE 12 -1.047 -1.204 -2.280 81 HD11 ILE 12 HD11 ILE 12 1.884 -1.291 -5.940 82 HD12 ILE 12 HD12 ILE 12 0.416 -1.252 -6.758 83 HD13 ILE 12 HD13 ILE 12 0.962 0.086 -5.820 84 H ALA 13 H ALA 13 -4.306 0.032 -5.225 85 HA ALA 13 HA ALA 13 -5.902 -1.978 -4.061 86 HB1 ALA 13 HB1 ALA 13 -7.741 -0.496 -4.498 87 HB2 ALA 13 HB2 ALA 13 -6.402 0.374 -3.885 88 HB3 ALA 13 HB3 ALA 13 -6.837 0.451 -5.570 89 H ALA 14 H ALA 14 -5.400 -1.300 -7.363 90 HA ALA 14 HA ALA 14 -7.467 -3.084 -8.427 91 HB1 ALA 14 HB1 ALA 14 -6.565 -2.485 -10.565 92 HB2 ALA 14 HB2 ALA 14 -6.684 -1.062 -9.606 93 HB3 ALA 14 HB3 ALA 14 -5.178 -1.796 -9.878 94 H ILE 15 H ILE 15 -4.011 -3.203 -7.840 95 HA ILE 15 HA ILE 15 -3.608 -5.865 -8.816 96 HB ILE 15 HB ILE 15 -2.135 -3.992 -7.014 97 HG12 ILE 15 HG12 ILE 15 -1.214 -5.097 -9.661 98 HG13 ILE 15 HG13 ILE 15 -2.329 -3.756 -9.604 99 HG21 ILE 15 HG21 ILE 15 -1.242 -6.754 -7.801 100 HG22 ILE 15 HG22 ILE 15 -0.195 -5.499 -7.173 101 HG23 ILE 15 HG23 ILE 15 -1.482 -6.102 -6.199 102 HD11 ILE 15 HD11 ILE 15 -0.482 -2.609 -8.697 103 HD12 ILE 15 HD12 ILE 15 -0.091 -3.031 -9.506 104 HD13 ILE 15 HD13 ILE 15 0.207 -3.391 -8.607 105 H ILE 16 H ILE 16 -4.253 -4.653 -5.481 106 HA ILE 16 HA ILE 16 -4.626 -7.043 -4.219 107 HB ILE 16 HB ILE 16 -5.841 -4.335 -3.901 108 HG12 ILE 16 HG12 ILE 16 -3.819 -5.961 -2.314 109 HG13 ILE 16 HG13 ILE 16 -3.402 -4.739 -3.497 110 HG21 ILE 16 HG21 ILE 16 -6.145 -6.680 -2.033 111 HG22 ILE 16 HG22 ILE 16 -6.607 -5.084 -1.616 112 HG23 ILE 16 HG23 ILE 16 -7.436 -5.891 -2.861 113 HD11 ILE 16 HD11 ILE 16 -3.112 -3.901 -1.338 114 HD12 ILE 16 HD12 ILE 16 -4.336 -3.003 -2.082 115 HD13 ILE 16 HD13 ILE 16 -4.758 -4.172 -0.912 116 H LYS 17 H LYS 17 -7.101 -5.331 -6.007 117 HA LYS 17 HA LYS 17 -9.233 -7.130 -5.591 118 HB2 LYS 17 1HB LYS 17 -9.602 -4.947 -6.380 119 HB3 LYS 17 2HB LYS 17 -8.517 -5.157 -7.724 120 HG2 LYS 17 1HG LYS 17 -10.683 -5.230 -8.618 121 HG3 LYS 17 2HG LYS 17 -10.084 -6.838 -8.663 122 HD2 LYS 17 1HD LYS 17 -12.305 -7.008 -7.966 123 HD3 LYS 17 2HD LYS 17 -11.380 -7.210 -6.546 124 HE2 LYS 17 1HE LYS 17 -13.223 -5.964 -6.003 125 HE3 LYS 17 2HE LYS 17 -11.813 -5.048 -5.895 126 HZ1 LYS 17 1HZ LYS 17 -12.888 -4.380 -7.948 127 HZ2 LYS 17 2HZ LYS 17 -13.521 -4.504 -7.607 128 HZ3 LYS 17 3HZ LYS 17 -13.064 -3.937 -7.376 129 H ALA 18 H ALA 18 -6.482 -7.370 -7.825 130 HA ALA 18 HA ALA 18 -7.462 -9.863 -8.892 131 HB1 ALA 18 HB1 ALA 18 -4.873 -8.379 -9.235 132 HB2 ALA 18 HB2 ALA 18 -5.347 -9.805 -10.078 133 HB3 ALA 18 HB3 ALA 18 -6.240 -8.326 -10.274 134 H GLY 19 H GLY 19 -5.021 -8.849 -6.568 135 HA2 GLY 19 HA2 GLY 19 -3.835 -11.386 -6.364 136 HA3 GLY 19 HA3 GLY 19 -3.433 -9.952 -5.466 137 H GLY 20 H GLY 20 -6.292 -9.988 -4.360 138 HA2 GLY 20 HA2 GLY 20 -7.526 -10.987 -2.729 139 HA3 GLY 20 HA3 GLY 20 -6.681 -12.445 -3.078 140 H PHE 21 H PHE 21 -5.461 -9.457 -1.733 141 HA PHE 21 HA PHE 21 -3.527 -10.607 -0.070 142 HB2 PHE 21 HB2 PHE 21 -4.597 -7.938 -0.520 143 HB3 PHE 21 HB3 PHE 21 -3.341 -8.285 0.667 144 HD1 PHE 21 HD1 PHE 21 -4.255 -8.483 -2.958 145 HD2 PHE 21 HD2 PHE 21 -1.050 -8.443 -0.065 146 HE1 PHE 21 HE1 PHE 21 -2.686 -7.746 -4.663 147 HE2 PHE 21 HE2 PHE 21 0.542 -7.915 -1.890 148 HZ PHE 21 HZ PHE 21 -0.320 -7.621 -4.173 149 H ALA 24 H ALA 24 -2.916 -13.043 -2.568 150 HA ALA 24 HA ALA 24 -1.003 -12.081 -1.983 151 HB1 ALA 24 HB1 ALA 24 -0.042 -12.764 0.043 152 HB2 ALA 24 HB2 ALA 24 -1.705 -13.140 0.150 153 HB3 ALA 24 HB3 ALA 24 -0.570 -14.349 -0.155 154 H LYS 25 H LYS 25 -0.896 -14.388 -4.064 155 HA LYS 25 HA LYS 25 1.899 -14.992 -4.282 156 HB2 LYS 25 HB2 LYS 25 -0.240 -14.814 -6.406 157 HB3 LYS 25 HB3 LYS 25 1.325 -15.515 -6.600 158 HG2 LYS 25 HG2 LYS 25 0.763 -17.305 -5.009 159 HG3 LYS 25 HG3 LYS 25 -0.767 -16.565 -4.762 160 HD2 LYS 25 HD2 LYS 25 -1.268 -16.739 -7.181 161 HD3 LYS 25 HD3 LYS 25 0.163 -17.652 -7.287 162 HE2 LYS 25 HE2 LYS 25 -0.626 -19.339 -5.848 163 HE3 LYS 25 HE3 LYS 25 -1.953 -18.377 -5.525 164 HZ1 LYS 25 HZ1 LYS 25 -2.594 -19.997 -6.983 165 HZ2 LYS 25 HZ2 LYS 25 -2.616 -18.643 -7.630 166 HZ3 LYS 25 HZ3 LYS 25 -1.532 -19.537 -7.928 167 H ALA 26 H ALA 26 -0.166 -12.365 -5.110 168 HA ALA 26 HA ALA 26 1.615 -10.769 -6.680 169 HB1 ALA 26 HB1 ALA 26 -0.827 -10.678 -6.768 170 HB2 ALA 26 HB2 ALA 26 -0.889 -10.179 -5.098 171 HB3 ALA 26 HB3 ALA 26 -0.165 -9.111 -6.309 172 H ALA 27 H ALA 27 1.788 -11.484 -3.429 173 HA ALA 27 HA ALA 27 2.328 -8.815 -2.487 174 HB1 ALA 27 HB1 ALA 27 0.834 -10.482 -1.340 175 HB2 ALA 27 HB2 ALA 27 2.270 -11.348 -0.884 176 HB3 ALA 27 HB3 ALA 27 2.029 -9.709 -0.324 177 H ALA 28 H ALA 28 4.405 -10.253 -4.173 178 HA ALA 28 HA ALA 28 6.382 -8.672 -2.693 179 HB1 ALA 28 HB1 ALA 28 7.383 -10.443 -4.534 180 HB2 ALA 28 HB2 ALA 28 7.106 -10.919 -3.653 181 HB3 ALA 28 HB3 ALA 28 7.840 -10.160 -3.649 182 H ALA 29 H ALA 29 5.002 -9.360 -5.831 183 HA ALA 29 HA ALA 29 6.166 -7.260 -7.228 184 HB1 ALA 29 HB1 ALA 29 3.612 -8.644 -7.838 185 HB2 ALA 29 HB2 ALA 29 4.593 -7.817 -8.974 186 HB3 ALA 29 HB3 ALA 29 5.175 -9.226 -8.247 187 H ALA 30 H ALA 30 3.245 -7.186 -5.273 188 HA ALA 30 HA ALA 30 2.410 -4.591 -6.214 189 HB1 ALA 30 HB1 ALA 30 0.877 -6.215 -5.282 190 HB2 ALA 30 HB2 ALA 30 1.677 -6.248 -3.763 191 HB3 ALA 30 HB3 ALA 30 0.874 -4.860 -4.305 192 H ILE 31 H ILE 31 4.389 -5.862 -3.667 193 HA ILE 31 HA ILE 31 4.553 -3.439 -2.165 194 HB ILE 31 HB ILE 31 6.586 -5.660 -2.091 195 HG12 ILE 31 HG12 ILE 31 4.404 -6.764 -1.978 196 HG13 ILE 31 HG13 ILE 31 5.294 -6.849 -0.464 197 HG21 ILE 31 HG21 ILE 31 6.376 -4.824 0.405 198 HG22 ILE 31 HG22 ILE 31 7.156 -3.784 -0.775 199 HG23 ILE 31 HG23 ILE 31 5.530 -3.493 -0.287 200 HD11 ILE 31 HD11 ILE 31 2.894 -6.436 -0.168 201 HD12 ILE 31 HD12 ILE 31 3.925 -5.261 0.573 202 HD13 ILE 31 HD13 ILE 31 3.071 -4.859 -0.881 203 H LYS 32 H LYS 32 6.591 -5.104 -4.460 204 HA LYS 32 HA LYS 32 8.780 -3.307 -4.229 205 HB2 LYS 32 HB2 LYS 32 8.086 -5.520 -6.184 206 HB3 LYS 32 HB3 LYS 32 9.537 -4.571 -6.377 207 HG2 LYS 32 HG2 LYS 32 10.219 -5.216 -4.040 208 HG3 LYS 32 HG3 LYS 32 8.841 -6.294 -4.005 209 HD2 LYS 32 HD2 LYS 32 9.687 -7.527 -5.935 210 HD3 LYS 32 HD3 LYS 32 11.050 -6.485 -5.960 211 HE2 LYS 32 HE2 LYS 32 11.633 -7.135 -3.677 212 HE3 LYS 32 HE3 LYS 32 10.312 -8.185 -3.693 213 HZ1 LYS 32 HZ1 LYS 32 12.566 -8.416 -5.322 214 HZ2 LYS 32 HZ2 LYS 32 12.166 -9.392 -4.153 215 HZ3 LYS 32 HZ3 LYS 32 11.328 -9.315 -5.447 216 H ALA 33 H ALA 33 5.999 -3.219 -6.233 217 HA ALA 33 HA ALA 33 6.815 -0.903 -7.710 218 HB1 ALA 33 HB1 ALA 33 4.098 -2.025 -7.084 219 HB2 ALA 33 HB2 ALA 33 4.381 -0.719 -8.048 220 HB3 ALA 33 HB3 ALA 33 5.003 -2.228 -8.501 221 H ILE 34 H ILE 34 4.683 -1.267 -4.778 222 HA ILE 34 HA ILE 34 4.435 1.520 -4.698 223 HB ILE 34 HB ILE 34 2.786 -0.211 -3.931 224 HG12 ILE 34 HG12 ILE 34 3.496 2.101 -2.211 225 HG13 ILE 34 HG13 ILE 34 2.581 2.118 -3.624 226 HG21 ILE 34 HG21 ILE 34 4.202 -0.119 -1.337 227 HG22 ILE 34 HG22 ILE 34 2.793 -1.052 -1.719 228 HG23 ILE 34 HG23 ILE 34 4.315 -1.397 -2.459 229 HD11 ILE 34 HD11 ILE 34 1.692 0.999 -1.151 230 HD12 ILE 34 HD12 ILE 34 1.105 2.327 -1.772 231 HD13 ILE 34 HD13 ILE 34 0.833 0.893 -2.486 232 H ALA 35 H ALA 35 6.556 -0.623 -2.708 233 HA ALA 35 HA ALA 35 7.408 1.665 -1.166 234 HB1 ALA 35 HB1 ALA 35 8.748 0.103 -0.046 235 HB2 ALA 35 HB2 ALA 35 7.149 -0.427 -0.184 236 HB3 ALA 35 HB3 ALA 35 8.325 -1.181 -1.183 237 H ALA 36 H ALA 36 7.956 1.316 -4.107 238 HA ALA 36 HA ALA 36 10.514 2.808 -3.974 239 HB1 ALA 36 HB1 ALA 36 9.377 1.419 -6.383 240 HB2 ALA 36 HB2 ALA 36 10.809 2.381 -6.351 241 HB3 ALA 36 HB3 ALA 36 10.732 0.885 -5.463 242 H ILE 37 H ILE 37 7.333 2.763 -5.390 243 HA ILE 37 HA ILE 37 7.283 5.378 -6.356 244 HB ILE 37 HB ILE 37 5.030 3.617 -5.401 245 HG12 ILE 37 HG12 ILE 37 5.823 4.246 -8.231 246 HG13 ILE 37 HG13 ILE 37 6.594 2.919 -7.411 247 HG21 ILE 37 HG21 ILE 37 3.572 5.076 -6.753 248 HG22 ILE 37 HG22 ILE 37 4.315 5.978 -5.466 249 HG23 ILE 37 HG23 ILE 37 4.919 6.099 -7.125 250 HD11 ILE 37 HD11 ILE 37 4.965 1.880 -8.577 251 HD12 ILE 37 HD12 ILE 37 4.298 1.942 -7.042 252 HD13 ILE 37 HD13 ILE 37 3.784 3.036 -8.234 253 H ILE 38 H ILE 38 6.382 4.182 -3.167 254 HA ILE 38 HA ILE 38 5.703 6.267 -1.618 255 HB ILE 38 HB ILE 38 7.702 4.095 -1.110 256 HG12 ILE 38 HG12 ILE 38 5.184 3.730 -1.748 257 HG13 ILE 38 HG13 ILE 38 5.868 2.829 -0.425 258 HG21 ILE 38 HG21 ILE 38 7.226 4.433 1.280 259 HG22 ILE 38 HG22 ILE 38 8.080 5.757 0.560 260 HG23 ILE 38 HG23 ILE 38 6.359 5.879 0.894 261 HD11 ILE 38 HD11 ILE 38 3.626 3.589 -0.019 262 HD12 ILE 38 HD12 ILE 38 4.721 4.169 1.189 263 HD13 ILE 38 HD13 ILE 38 4.165 5.222 -0.126 264 H LYS 39 H LYS 39 9.006 5.292 -2.274 265 HA LYS 39 HA LYS 39 10.450 7.287 -0.882 266 HB2 LYS 39 1HB LYS 39 11.033 5.239 -3.021 267 HB3 LYS 39 2HB LYS 39 12.199 6.205 -2.154 268 HG2 LYS 39 1HG LYS 39 11.432 5.198 -0.012 269 HG3 LYS 39 2HG LYS 39 10.339 4.262 -1.028 270 HD2 LYS 39 1HD LYS 39 12.282 3.234 -2.180 271 HD3 LYS 39 2HD LYS 39 13.368 4.206 -1.243 272 HE2 LYS 39 1HE LYS 39 12.706 3.182 0.812 273 HE3 LYS 39 2HE LYS 39 11.513 2.277 -0.076 274 HZ1 LYS 39 1HZ LYS 39 13.514 1.479 -0.867 275 HZ2 LYS 39 2HZ LYS 39 14.019 1.623 -0.335 276 HZ3 LYS 39 3HZ LYS 39 13.479 1.143 -0.218 277 H ALA 40 H ALA 40 9.495 6.833 -4.130 278 HA ALA 40 HA ALA 40 10.942 9.025 -5.376 279 HB1 ALA 40 HB1 ALA 40 9.730 8.300 -7.379 280 HB2 ALA 40 HB2 ALA 40 10.435 6.961 -6.570 281 HB3 ALA 40 HB3 ALA 40 8.746 7.254 -6.413 282 H GLY 41 H GLY 41 7.537 8.495 -4.398 283 HA2 GLY 41 HA2 GLY 41 6.575 11.016 -5.073 284 HA3 GLY 41 HA3 GLY 41 5.911 9.969 -3.844 285 H GLY 42 H GLY 42 7.691 9.818 -2.043 286 HA2 GLY 42 HA2 GLY 42 9.050 11.045 -0.468 287 HA3 GLY 42 HA3 GLY 42 8.299 12.510 -0.978 288 H PHE 43 H PHE 43 6.283 9.793 -0.513 289 HA PHE 43 HA PHE 43 5.202 10.897 1.979 290 HB2 PHE 43 HB2 PHE 43 3.142 9.991 1.407 291 HB3 PHE 43 HB3 PHE 43 3.745 11.083 0.193 292 HD1 PHE 43 HD1 PHE 43 5.368 8.374 -1.085 293 HD2 PHE 43 HD2 PHE 43 1.437 9.772 -0.224 294 HE1 PHE 43 HE1 PHE 43 4.539 7.218 -3.080 295 HE2 PHE 43 HE2 PHE 43 0.606 8.522 -2.133 296 HZ PHE 43 HZ PHE 43 2.225 7.365 -3.670 297 H ALA 46 H ALA 46 -6.938 11.960 -2.032 298 HA ALA 46 HA ALA 46 -5.209 10.534 -0.306 299 HB1 ALA 46 HB1 ALA 46 -3.491 11.743 -1.506 300 HB2 ALA 46 HB2 ALA 46 -4.703 11.139 -2.601 301 HB3 ALA 46 HB3 ALA 46 -4.694 12.842 -2.164 302 H LYS 47 H LYS 47 -7.108 13.041 0.513 303 HA LYS 47 HA LYS 47 -5.615 14.289 2.578 304 HB2 LYS 47 HB2 LYS 47 -8.504 13.502 2.463 305 HB3 LYS 47 HB3 LYS 47 -7.782 14.358 3.800 306 HG2 LYS 47 HG2 LYS 47 -7.050 16.139 2.244 307 HG3 LYS 47 HG3 LYS 47 -7.916 15.337 1.015 308 HD2 LYS 47 HD2 LYS 47 -9.974 15.454 2.329 309 HD3 LYS 47 HD3 LYS 47 -9.097 16.350 3.472 310 HE2 LYS 47 HE2 LYS 47 -9.431 17.254 0.705 311 HE3 LYS 47 HE3 LYS 47 -10.402 17.722 2.035 312 HZ1 LYS 47 HZ1 LYS 47 -7.668 18.219 1.929 313 HZ2 LYS 47 HZ2 LYS 47 -8.819 19.194 1.597 314 HZ3 LYS 47 HZ3 LYS 47 -8.644 18.644 3.031 315 H ALA 48 H ALA 48 -7.060 11.163 2.405 316 HA ALA 48 HA ALA 48 -6.316 10.247 5.029 317 HB1 ALA 48 HB1 ALA 48 -7.234 8.123 4.113 318 HB2 ALA 48 HB2 ALA 48 -8.286 9.503 3.811 319 HB3 ALA 48 HB3 ALA 48 -7.279 8.869 2.528 320 H ALA 49 H ALA 49 -4.343 10.860 2.465 321 HA ALA 49 HA ALA 49 -2.898 8.511 2.171 322 HB1 ALA 49 HB1 ALA 49 -2.819 10.343 0.644 323 HB2 ALA 49 HB2 ALA 49 -1.898 11.304 1.796 324 HB3 ALA 49 HB3 ALA 49 -1.235 9.842 1.104 325 H ALA 50 H ALA 50 -2.008 11.183 4.427 326 HA ALA 50 HA ALA 50 0.257 9.883 5.401 327 HB1 ALA 50 HB1 ALA 50 -1.424 12.063 6.644 328 HB2 ALA 50 HB2 ALA 50 0.211 11.618 7.080 329 HB3 ALA 50 HB3 ALA 50 -0.172 12.267 5.488 330 H ALA 51 H ALA 51 -2.952 9.079 6.090 331 HA ALA 51 HA ALA 51 -2.243 7.458 8.417 332 HB1 ALA 51 HB1 ALA 51 -4.355 8.605 8.463 333 HB2 ALA 51 HB2 ALA 51 -4.826 7.864 6.980 334 HB3 ALA 51 HB3 ALA 51 -4.583 6.898 8.417 335 H ALA 52 H ALA 52 -3.110 6.955 4.938 336 HA ALA 52 HA ALA 52 -3.292 4.113 5.148 337 HB1 ALA 52 HB1 ALA 52 -2.966 5.957 2.812 338 HB2 ALA 52 HB2 ALA 52 -3.307 4.353 2.695 339 HB3 ALA 52 HB3 ALA 52 -4.407 5.367 3.458 340 H ILE 53 H ILE 53 -0.879 6.391 4.061 341 HA ILE 53 HA ILE 53 1.002 4.525 2.994 342 HB ILE 53 HB ILE 53 1.394 7.307 3.984 343 HG12 ILE 53 HG12 ILE 53 -0.387 7.191 2.243 344 HG13 ILE 53 HG13 ILE 53 0.951 8.187 1.792 345 HG21 ILE 53 HG21 ILE 53 3.461 6.486 3.734 346 HG22 ILE 53 HG22 ILE 53 3.089 5.529 2.324 347 HG23 ILE 53 HG23 ILE 53 3.163 7.248 2.182 348 HD11 ILE 53 HD11 ILE 53 0.106 6.895 -0.007 349 HD12 ILE 53 HD12 ILE 53 1.812 6.576 0.303 350 HD13 ILE 53 HD13 ILE 53 0.586 5.427 0.773 351 H LYS 54 H LYS 54 0.703 6.192 6.101 352 HA LYS 54 HA LYS 54 3.168 5.143 7.194 353 HB2 LYS 54 HB2 LYS 54 0.726 6.508 8.392 354 HB3 LYS 54 HB3 LYS 54 2.108 6.000 9.336 355 HG2 LYS 54 HG2 LYS 54 3.562 7.310 7.699 356 HG3 LYS 54 HG3 LYS 54 2.115 8.005 7.078 357 HD2 LYS 54 HD2 LYS 54 1.558 8.856 9.351 358 HD3 LYS 54 HD3 LYS 54 3.074 8.232 9.853 359 HE2 LYS 54 HE2 LYS 54 4.238 9.591 8.229 360 HE3 LYS 54 HE3 LYS 54 2.738 10.190 7.714 361 HZ1 LYS 54 HZ1 LYS 54 3.354 11.545 9.433 362 HZ2 LYS 54 HZ2 LYS 54 3.842 10.781 10.012 363 HZ3 LYS 54 HZ3 LYS 54 2.790 10.870 10.085 364 H ALA 55 H ALA 55 -0.128 4.053 7.380 365 HA ALA 55 HA ALA 55 0.480 1.856 9.048 366 HB1 ALA 55 HB1 ALA 55 -1.834 1.182 8.559 367 HB2 ALA 55 HB2 ALA 55 -1.760 2.875 8.942 368 HB3 ALA 55 HB3 ALA 55 -1.905 2.361 7.268 369 H ILE 56 H ILE 56 1.076 2.272 5.809 370 HA ILE 56 HA ILE 56 1.747 -0.600 5.610 371 HB ILE 56 HB ILE 56 0.324 0.949 3.904 372 HG12 ILE 56 HG12 ILE 56 0.204 -1.383 4.245 373 HG13 ILE 56 HG13 ILE 56 0.053 -0.871 2.608 374 HG21 ILE 56 HG21 ILE 56 2.973 0.643 2.571 375 HG22 ILE 56 HG22 ILE 56 1.429 1.023 1.818 376 HG23 ILE 56 HG23 ILE 56 2.149 2.120 2.983 377 HD11 ILE 56 HD11 ILE 56 1.306 -2.878 2.783 378 HD12 ILE 56 HD12 ILE 56 2.300 -1.652 2.119 379 HD13 ILE 56 HD13 ILE 56 2.510 -2.122 3.770 380 H ALA 57 H ALA 57 3.333 2.531 4.755 381 HA ALA 57 HA ALA 57 5.713 1.075 4.135 382 HB1 ALA 57 HB1 ALA 57 5.414 3.934 4.317 383 HB2 ALA 57 HB2 ALA 57 6.511 3.217 3.611 384 HB3 ALA 57 HB3 ALA 57 5.090 3.109 3.122 385 H ALA 58 H ALA 58 4.676 1.945 7.044 386 HA ALA 58 HA ALA 58 7.393 1.698 8.263 387 HB1 ALA 58 HB1 ALA 58 5.206 2.773 9.410 388 HB2 ALA 58 HB2 ALA 58 5.584 2.096 10.105 389 HB3 ALA 58 HB3 ALA 58 6.226 2.854 9.799 390 H ILE 59 H ILE 59 4.544 -0.086 7.733 391 HA ILE 59 HA ILE 59 5.250 -2.390 9.343 392 HB ILE 59 HB ILE 59 2.945 -1.619 7.640 393 HG12 ILE 59 HG12 ILE 59 1.738 -2.270 9.725 394 HG13 ILE 59 HG13 ILE 59 3.231 -2.416 10.534 395 HG21 ILE 59 HG21 ILE 59 3.445 -4.346 8.746 396 HG22 ILE 59 HG22 ILE 59 1.917 -3.740 8.103 397 HG23 ILE 59 HG23 ILE 59 3.288 -3.881 7.048 398 HD11 ILE 59 HD11 ILE 59 1.981 -0.244 10.876 399 HD12 ILE 59 HD12 ILE 59 3.622 -0.041 10.313 400 HD13 ILE 59 HD13 ILE 59 2.312 0.146 9.232 401 H ILE 60 H ILE 60 5.211 -1.634 5.890 402 HA ILE 60 HA ILE 60 6.402 -3.655 4.528 403 HB ILE 60 HB ILE 60 7.396 -0.825 4.710 404 HG12 ILE 60 HG12 ILE 60 5.124 -0.950 3.902 405 HG13 ILE 60 HG13 ILE 60 6.207 -0.415 2.680 406 HG21 ILE 60 HG21 ILE 60 9.148 -2.001 3.675 407 HG22 ILE 60 HG22 ILE 60 8.040 -3.008 2.717 408 HG23 ILE 60 HG23 ILE 60 8.259 -1.294 2.399 409 HD11 ILE 60 HD11 ILE 60 4.882 -3.106 2.833 410 HD12 ILE 60 HD12 ILE 60 4.588 -1.868 1.701 411 HD13 ILE 60 HD13 ILE 60 6.079 -2.660 1.703 412 H LYS 61 H LYS 61 8.240 -1.429 6.520 413 HA LYS 61 HA LYS 61 10.748 -2.597 6.198 414 HB2 LYS 61 HB2 LYS 61 9.427 -0.593 8.086 415 HB3 LYS 61 HB3 LYS 61 11.145 -0.912 8.028 416 HG2 LYS 61 HG2 LYS 61 11.175 -0.219 5.630 417 HG3 LYS 61 HG3 LYS 61 9.474 0.120 5.779 418 HD2 LYS 61 HD2 LYS 61 9.985 1.798 7.569 419 HD3 LYS 61 HD3 LYS 61 11.680 1.451 7.309 420 HE2 LYS 61 HE2 LYS 61 11.664 3.136 5.929 421 HE3 LYS 61 HE3 LYS 61 10.954 2.140 4.978 422 HZ1 LYS 61 HZ1 LYS 61 9.137 2.977 5.698 423 HZ2 LYS 61 HZ2 LYS 61 9.937 3.752 5.945 424 HZ3 LYS 61 HZ3 LYS 61 9.758 3.636 4.837 425 H ALA 62 H ALA 62 8.478 -2.689 8.737 426 HA ALA 62 HA ALA 62 9.971 -4.282 10.590 427 HB1 ALA 62 HB1 ALA 62 7.880 -4.530 11.768 428 HB2 ALA 62 HB2 ALA 62 8.187 -2.865 11.333 429 HB3 ALA 62 HB3 ALA 62 7.004 -3.833 10.476 430 H GLY 63 H GLY 63 7.504 -5.008 8.186 431 HA2 GLY 63 HA2 GLY 63 7.443 -7.786 8.594 432 HA3 GLY 63 HA3 GLY 63 6.884 -6.964 7.131 433 H GLY 64 H GLY 64 9.107 -5.959 6.102 434 HA2 GLY 64 HA2 GLY 64 11.200 -6.376 5.252 435 HA3 GLY 64 HA3 GLY 64 11.144 -8.044 5.660 436 H PHE 65 H PHE 65 8.590 -6.282 3.938 437 HA PHE 65 HA PHE 65 8.877 -8.138 1.709 438 HB2 PHE 65 HB2 PHE 65 6.595 -7.997 1.368 439 HB3 PHE 65 HB3 PHE 65 7.057 -8.681 2.887 440 HD1 PHE 65 HD1 PHE 65 7.079 -6.275 4.773 441 HD2 PHE 65 HD2 PHE 65 4.340 -7.607 1.744 442 HE1 PHE 65 HE1 PHE 65 5.250 -5.158 5.881 443 HE2 PHE 65 HE2 PHE 65 2.532 -6.594 2.964 444 HZ PHE 65 HZ PHE 65 3.003 -5.454 5.132 445 H ALA 68 H ALA 68 6.716 -11.868 3.376 446 HA ALA 68 HA ALA 68 4.527 -10.085 3.619 447 HB1 ALA 68 HB1 ALA 68 3.424 -11.628 2.166 448 HB2 ALA 68 HB2 ALA 68 5.028 -11.289 1.593 449 HB3 ALA 68 HB3 ALA 68 4.682 -12.793 2.391 450 H LYS 69 H LYS 69 5.543 -12.170 5.736 451 HA LYS 69 HA LYS 69 3.213 -13.260 6.943 452 HB2 LYS 69 1HB LYS 69 5.868 -12.371 8.037 453 HB3 LYS 69 2HB LYS 69 4.592 -12.975 9.040 454 HG2 LYS 69 1HG LYS 69 4.507 -15.023 7.695 455 HG3 LYS 69 2HG LYS 69 5.860 -14.427 6.814 456 HD2 LYS 69 1HD LYS 69 7.324 -14.590 8.576 457 HD3 LYS 69 2HD LYS 69 6.071 -14.670 9.693 458 HE2 LYS 69 1HE LYS 69 6.959 -16.681 9.712 459 HE3 LYS 69 2HE LYS 69 5.464 -16.681 8.985 460 HZ1 LYS 69 1HZ LYS 69 6.619 -17.362 7.655 461 HZ2 LYS 69 2HZ LYS 69 6.755 -16.644 7.257 462 HZ3 LYS 69 3HZ LYS 69 7.497 -17.125 7.520 463 H ALA 70 H ALA 70 4.370 -10.014 6.810 464 HA ALA 70 HA ALA 70 2.577 -8.920 8.792 465 HB1 ALA 70 HB1 ALA 70 3.628 -6.854 8.054 466 HB2 ALA 70 HB2 ALA 70 4.850 -8.045 8.445 467 HB3 ALA 70 HB3 ALA 70 4.427 -7.715 6.764 468 H ALA 71 H ALA 71 2.256 -9.819 5.538 469 HA ALA 71 HA ALA 71 1.213 -7.444 4.519 470 HB1 ALA 71 HB1 ALA 71 2.295 -9.133 3.124 471 HB2 ALA 71 HB2 ALA 71 0.953 -10.247 3.397 472 HB3 ALA 71 HB3 ALA 71 0.678 -8.742 2.571 473 H ALA 72 H ALA 72 -0.617 -10.289 5.652 474 HA ALA 72 HA ALA 72 -3.111 -9.175 4.987 475 HB1 ALA 72 HB1 ALA 72 -2.805 -11.484 5.632 476 HB2 ALA 72 HB2 ALA 72 -2.500 -10.996 7.249 477 HB3 ALA 72 HB3 ALA 72 -4.043 -10.766 6.517 478 H ALA 73 H ALA 73 -1.183 -8.522 7.798 479 HA ALA 73 HA ALA 73 -3.090 -6.841 9.058 480 HB1 ALA 73 HB1 ALA 73 -1.286 -6.286 10.563 481 HB2 ALA 73 HB2 ALA 73 -1.339 -7.942 10.298 482 HB3 ALA 73 HB3 ALA 73 -0.146 -6.956 9.495 483 H ALA 74 H ALA 74 -0.534 -6.251 6.681 484 HA ALA 74 HA ALA 74 -0.454 -3.414 7.028 485 HB1 ALA 74 HB1 ALA 74 1.073 -3.550 5.227 486 HB2 ALA 74 HB2 ALA 74 1.400 -4.845 6.276 487 HB3 ALA 74 HB3 ALA 74 0.606 -5.145 4.810 488 H ILE 75 H ILE 75 -1.730 -5.668 4.650 489 HA ILE 75 HA ILE 75 -2.712 -3.743 2.843 490 HB ILE 75 HB ILE 75 -3.364 -6.599 3.160 491 HG12 ILE 75 1HG1 ILE 75 -0.912 -6.116 2.914 492 HG13 ILE 75 2HG1 ILE 75 -1.562 -7.211 1.736 493 HG21 ILE 75 1HG2 ILE 75 -3.594 -6.097 0.517 494 HG22 ILE 75 2HG2 ILE 75 -4.863 -6.040 1.664 495 HG23 ILE 75 3HG2 ILE 75 -4.061 -4.609 1.137 496 HD11 ILE 75 1HD1 ILE 75 -0.738 -5.566 0.444 497 HD12 ILE 75 2HD1 ILE 75 -1.206 -4.910 0.582 498 HD13 ILE 75 3HD1 ILE 75 -0.471 -5.006 0.966 499 H LYS 76 H LYS 76 -4.136 -5.604 5.469 500 HA LYS 76 HA LYS 76 -6.848 -4.867 4.835 501 HB2 LYS 76 1HB LYS 76 -5.500 -6.244 7.173 502 HB3 LYS 76 2HB LYS 76 -7.209 -5.915 7.161 503 HG2 LYS 76 1HG LYS 76 -7.438 -7.180 5.033 504 HG3 LYS 76 2HG LYS 76 -5.772 -7.616 5.156 505 HD2 LYS 76 1HD LYS 76 -6.228 -8.700 7.345 506 HD3 LYS 76 2HD LYS 76 -7.888 -8.288 7.151 507 HE2 LYS 76 1HE LYS 76 -7.982 -9.539 5.023 508 HE3 LYS 76 2HE LYS 76 -6.338 -9.961 5.348 509 HZ1 LYS 76 1HZ LYS 76 -7.506 -11.399 6.645 510 HZ2 LYS 76 2HZ LYS 76 -7.730 -10.947 7.172 511 HZ3 LYS 76 3HZ LYS 76 -8.147 -11.098 6.617 512 H ALA 77 H ALA 77 -4.358 -3.414 6.772 513 HA ALA 77 HA ALA 77 -6.112 -1.295 7.686 514 HB1 ALA 77 1HB ALA 77 -3.450 -1.146 7.710 515 HB2 ALA 77 2HB ALA 77 -3.849 -0.631 8.088 516 HB3 ALA 77 3HB ALA 77 -3.823 -1.295 8.349 517 H ILE 78 H ILE 78 -3.811 -1.455 4.942 518 HA ILE 78 HA ILE 78 -4.585 1.142 4.138 519 HB ILE 78 HB ILE 78 -2.457 -0.193 3.747 520 HG12 ILE 78 HG12 ILE 78 -2.733 2.114 3.307 521 HG13 ILE 78 HG13 ILE 78 -1.600 1.303 2.332 522 HG21 ILE 78 HG21 ILE 78 -2.132 -1.039 1.462 523 HG22 ILE 78 HG22 ILE 78 -3.452 -1.891 2.241 524 HG23 ILE 78 HG23 ILE 78 -3.762 -0.640 1.051 525 HD11 ILE 78 HD11 ILE 78 -3.871 1.886 1.054 526 HD12 ILE 78 HD12 ILE 78 -2.933 1.955 0.654 527 HD13 ILE 78 HD13 ILE 78 -3.293 2.732 1.213 528 H ALA 79 H ALA 79 -5.720 -1.956 2.817 529 HA ALA 79 HA ALA 79 -7.269 -0.719 0.801 530 HB1 ALA 79 HB1 ALA 79 -8.484 -2.836 0.751 531 HB2 ALA 79 HB2 ALA 79 -6.733 -3.101 0.766 532 HB3 ALA 79 HB3 ALA 79 -7.684 -3.349 2.219 533 H ALA 80 H ALA 80 -7.900 -1.110 4.138 534 HA ALA 80 HA ALA 80 -10.794 -0.540 3.980 535 HB1 ALA 80 HB1 ALA 80 -9.944 -2.196 5.553 536 HB2 ALA 80 HB2 ALA 80 -8.974 -0.941 6.323 537 HB3 ALA 80 HB3 ALA 80 -10.748 -0.899 6.365 538 H ILE 81 H ILE 81 -7.787 1.016 4.801 539 HA ILE 81 HA ILE 81 -8.863 3.517 5.698 540 HB ILE 81 HB ILE 81 -6.162 2.775 4.671 541 HG12 ILE 81 HG12 ILE 81 -7.046 3.581 7.443 542 HG13 ILE 81 HG13 ILE 81 -7.213 1.924 7.004 543 HG21 ILE 81 HG21 ILE 81 -7.069 5.338 5.956 544 HG22 ILE 81 HG22 ILE 81 -5.420 4.922 5.704 545 HG23 ILE 81 HG23 ILE 81 -6.452 5.169 4.333 546 HD11 ILE 81 HD11 ILE 81 -4.666 1.955 6.466 547 HD12 ILE 81 HD12 ILE 81 -4.664 3.470 7.383 548 HD13 ILE 81 HD13 ILE 81 -5.194 1.952 8.093 549 H ILE 82 H ILE 82 -7.624 2.312 2.544 550 HA ILE 82 HA ILE 82 -8.410 4.437 0.963 551 HB ILE 82 HB ILE 82 -8.292 1.477 0.419 552 HG12 ILE 82 HG12 ILE 82 -6.727 3.962 -0.386 553 HG13 ILE 82 HG13 ILE 82 -6.233 2.810 0.797 554 HG21 ILE 82 HG21 ILE 82 -8.781 3.652 -1.629 555 HG22 ILE 82 HG22 ILE 82 -8.520 1.933 -1.986 556 HG23 ILE 82 HG23 ILE 82 -9.963 2.407 -1.204 557 HD11 ILE 82 HD11 ILE 82 -4.967 2.416 -1.156 558 HD12 ILE 82 HD12 ILE 82 -6.138 1.090 -1.145 559 HD13 ILE 82 HD13 ILE 82 -6.321 2.517 -2.220 560 H LYS 83 H LYS 83 -10.429 1.749 1.908 561 HA LYS 83 HA LYS 83 -12.772 2.638 0.673 562 HB2 LYS 83 HB2 LYS 83 -12.538 0.409 1.373 563 HB3 LYS 83 HB3 LYS 83 -12.177 0.927 3.019 564 HG2 LYS 83 HG2 LYS 83 -14.295 -0.049 3.111 565 HG3 LYS 83 HG3 LYS 83 -14.433 1.688 3.311 566 HD2 LYS 83 HD2 LYS 83 -16.203 1.070 1.887 567 HD3 LYS 83 HD3 LYS 83 -15.029 1.815 0.854 568 HE2 LYS 83 HE2 LYS 83 -15.759 -0.086 -0.289 569 HE3 LYS 83 HE3 LYS 83 -14.155 -0.411 0.263 570 HZ1 LYS 83 HZ1 LYS 83 -16.605 -1.286 1.549 571 HZ2 LYS 83 HZ2 LYS 83 -15.621 -2.205 0.735 572 HZ3 LYS 83 HZ3 LYS 83 -15.176 -1.602 2.111 573 H ALA 84 H ALA 84 -11.307 3.837 3.596 574 HA ALA 84 HA ALA 84 -13.592 5.498 4.282 575 HB1 ALA 84 HB1 ALA 84 -12.197 5.674 6.122 576 HB2 ALA 84 HB2 ALA 84 -11.851 4.759 5.894 577 HB3 ALA 84 HB3 ALA 84 -11.228 5.558 5.622 578 H GLY 85 H GLY 85 -10.257 6.042 3.071 579 HA2 GLY 85 HA2 GLY 85 -10.422 8.777 2.861 580 HA3 GLY 85 HA3 GLY 85 -9.313 7.739 1.971 581 H GLY 86 H GLY 86 -11.142 6.401 0.323 582 HA2 GLY 86 HA2 GLY 86 -12.342 6.576 -1.568 583 HA3 GLY 86 HA3 GLY 86 -12.648 8.274 -1.280 584 H PHE 87 H PHE 87 -9.613 6.547 -1.562 585 HA PHE 87 HA PHE 87 -8.172 8.515 -2.887 586 HB2 PHE 87 HB2 PHE 87 -7.695 5.560 -2.627 587 HB3 PHE 87 HB3 PHE 87 -6.615 6.694 -3.378 588 HD1 PHE 87 HD1 PHE 87 -8.358 5.999 -0.145 589 HD2 PHE 87 HD2 PHE 87 -5.040 7.967 -2.045 590 HE1 PHE 87 HE1 PHE 87 -7.041 5.820 1.915 591 HE2 PHE 87 HE2 PHE 87 -3.910 8.079 0.103 592 HZ PHE 87 HZ PHE 87 -4.872 6.982 2.069 593 H1 ACE 1 H1 ACE 1 4.890 14.035 -1.764 594 H2 ACE 1 H2 ACE 1 4.991 13.855 -1.855 595 H3 ACE 1 H3 ACE 1 4.928 14.017 -1.982 596 HN1 NH2 22 HN1 NH2 22 -6.624 -9.551 2.368 597 HN2 NH2 22 HN2 NH2 22 -6.582 -9.033 0.729 598 H1 ACE 23 H1 ACE 23 -4.265 -14.719 -3.434 599 H2 ACE 23 H2 ACE 23 -3.709 -15.545 -3.827 600 H3 ACE 23 H3 ACE 23 -4.288 -15.675 -2.922 601 HN1 NH2 44 HN1 NH2 44 6.896 7.486 2.475 602 HN2 NH2 44 HN2 NH2 44 7.206 8.439 1.085 603 H1 ACE 45 H1 ACE 45 -9.194 11.917 -1.658 604 H2 ACE 45 H2 ACE 45 -9.550 10.861 -1.505 605 H3 ACE 45 H3 ACE 45 -9.720 11.612 -0.696 606 HN1 NH2 66 HN1 NH2 66 9.247 -4.396 0.652 607 HN2 NH2 66 HN2 NH2 66 9.340 -4.852 2.320 608 H1 ACE 67 H1 ACE 67 8.583 -11.157 5.507 609 H2 ACE 67 H2 ACE 67 8.533 -11.379 4.893 610 H3 ACE 67 H3 ACE 67 8.706 -10.815 5.031 611 HN1 NH2 88 HN1 NH2 88 -9.874 6.429 -5.911 612 HN2 NH2 88 HN2 NH2 88 -10.067 5.933 -4.286 Start of MODEL 3 1 H1 ALA 2 H1 ALA 2 3.875 12.671 -1.911 2 HA ALA 2 HA ALA 2 2.008 11.534 -2.354 3 HB1 ALA 2 HB1 ALA 2 0.739 13.899 -1.087 4 HB2 ALA 2 HB2 ALA 2 -0.037 12.400 -1.363 5 HB3 ALA 2 HB3 ALA 2 1.268 12.505 -0.292 6 H LYS 3 H LYS 3 2.840 13.739 -4.375 7 HA LYS 3 HA LYS 3 0.592 13.982 -6.138 8 HB2 LYS 3 HB2 LYS 3 3.566 14.168 -6.596 9 HB3 LYS 3 HB3 LYS 3 2.348 14.370 -7.830 10 HG2 LYS 3 HG2 LYS 3 1.321 16.049 -6.106 11 HG3 LYS 3 HG3 LYS 3 2.837 16.032 -5.769 12 HD2 LYS 3 HD2 LYS 3 3.691 16.617 -7.522 13 HD3 LYS 3 HD3 LYS 3 2.188 16.636 -7.853 14 HE2 LYS 3 HE2 LYS 3 1.472 18.488 -7.100 15 HE3 LYS 3 HE3 LYS 3 2.640 18.300 -5.883 16 HZ1 LYS 3 HZ1 LYS 3 4.236 18.779 -7.451 17 HZ2 LYS 3 HZ2 LYS 3 3.232 19.006 -8.454 18 HZ3 LYS 3 HZ3 LYS 3 3.344 19.930 -7.342 19 H ALA 4 H ALA 4 2.908 11.544 -5.523 20 HA ALA 4 HA ALA 4 2.382 9.760 -7.660 21 HB1 ALA 4 HB1 ALA 4 3.580 9.379 -4.932 22 HB2 ALA 4 HB2 ALA 4 3.716 8.328 -6.297 23 HB3 ALA 4 HB3 ALA 4 4.442 9.868 -6.335 24 H ALA 5 H ALA 5 0.474 10.607 -5.103 25 HA ALA 5 HA ALA 5 -0.423 7.956 -4.331 26 HB1 ALA 5 HB1 ALA 5 0.161 9.701 -2.702 27 HB2 ALA 5 HB2 ALA 5 -1.327 10.548 -3.128 28 HB3 ALA 5 HB3 ALA 5 -1.397 8.951 -2.466 29 H ALA 6 H ALA 6 -1.450 9.415 -6.938 30 HA ALA 6 HA ALA 6 -3.919 7.888 -6.683 31 HB1 ALA 6 HB1 ALA 6 -4.046 9.930 -8.001 32 HB2 ALA 6 HB2 ALA 6 -4.474 8.943 -8.754 33 HB3 ALA 6 HB3 ALA 6 -3.315 9.500 -8.920 34 H ALA 7 H ALA 7 -1.024 8.234 -8.661 35 HA ALA 7 HA ALA 7 -1.272 5.998 -10.194 36 HB1 ALA 7 HB1 ALA 7 0.387 7.721 -10.540 37 HB2 ALA 7 HB2 ALA 7 1.268 7.222 -9.197 38 HB3 ALA 7 HB3 ALA 7 1.125 6.187 -10.550 39 H ALA 8 H ALA 8 0.060 6.116 -6.961 40 HA ALA 8 HA ALA 8 1.230 3.476 -7.011 41 HB1 ALA 8 HB1 ALA 8 1.280 4.381 -4.614 42 HB2 ALA 8 HB2 ALA 8 1.819 4.920 -5.337 43 HB3 ALA 8 HB3 ALA 8 0.922 5.297 -4.957 44 H ILE 9 H ILE 9 -1.633 4.902 -5.791 45 HA ILE 9 HA ILE 9 -2.743 2.616 -4.490 46 HB ILE 9 HB ILE 9 -4.220 4.993 -5.575 47 HG12 ILE 9 1HG1 ILE 9 -2.337 5.853 -4.337 48 HG13 ILE 9 2HG1 ILE 9 -3.865 6.212 -3.572 49 HG21 ILE 9 1HG2 ILE 9 -5.076 2.757 -4.073 50 HG22 ILE 9 2HG2 ILE 9 -5.246 4.132 -3.102 51 HG23 ILE 9 3HG2 ILE 9 -5.934 4.094 -4.673 52 HD11 ILE 9 1HD1 ILE 9 -2.536 4.648 -2.215 53 HD12 ILE 9 2HD1 ILE 9 -2.493 4.720 -2.182 54 HD13 ILE 9 3HD1 ILE 9 -2.573 4.705 -2.178 55 H LYS 10 H LYS 10 -3.263 4.122 -7.631 56 HA LYS 10 HA LYS 10 -5.333 2.336 -8.451 57 HB2 LYS 10 1HB LYS 10 -3.548 4.325 -9.905 58 HB3 LYS 10 2HB LYS 10 -4.726 3.354 -10.753 59 HG2 LYS 10 1HG LYS 10 -6.497 4.289 -9.179 60 HG3 LYS 10 2HG LYS 10 -5.239 5.344 -8.538 61 HD2 LYS 10 1HD LYS 10 -6.362 6.695 -10.057 62 HD3 LYS 10 2HD LYS 10 -4.922 6.211 -10.877 63 HE2 LYS 10 1HE LYS 10 -6.155 4.500 -12.119 64 HE3 LYS 10 2HE LYS 10 -7.591 4.946 -11.293 65 HZ1 LYS 10 1HZ LYS 10 -7.031 6.374 -13.093 66 HZ2 LYS 10 2HZ LYS 10 -7.391 6.638 -12.673 67 HZ3 LYS 10 3HZ LYS 10 -6.757 6.772 -12.623 68 H ALA 11 H ALA 11 -1.900 2.045 -8.726 69 HA ALA 11 HA ALA 11 -2.103 -0.459 -10.119 70 HB1 ALA 11 HB1 ALA 11 0.185 -0.793 -9.216 71 HB2 ALA 11 HB2 ALA 11 -0.007 0.646 -10.132 72 HB3 ALA 11 HB3 ALA 11 0.050 0.763 -8.414 73 H ILE 12 H ILE 12 -1.679 0.373 -6.682 74 HA ILE 12 HA ILE 12 -1.635 -2.366 -5.944 75 HB ILE 12 HB ILE 12 -1.575 0.239 -4.612 76 HG12 ILE 12 HG12 ILE 12 0.324 -0.757 -3.460 77 HG13 ILE 12 HG13 ILE 12 -0.041 -2.292 -4.125 78 HG21 ILE 12 HG21 ILE 12 -2.215 -2.175 -3.003 79 HG22 ILE 12 HG22 ILE 12 -1.648 -0.654 -2.380 80 HG23 ILE 12 HG23 ILE 12 -3.188 -0.711 -3.166 81 HD11 ILE 12 HD11 ILE 12 1.862 -1.177 -5.249 82 HD12 ILE 12 HD12 ILE 12 0.545 -1.531 -6.331 83 HD13 ILE 12 HD13 ILE 12 0.785 0.088 -5.750 84 H ALA 13 H ALA 13 -4.430 -0.133 -5.732 85 HA ALA 13 HA ALA 13 -6.046 -2.090 -4.429 86 HB1 ALA 13 HB1 ALA 13 -6.548 0.351 -4.580 87 HB2 ALA 13 HB2 ALA 13 -6.932 0.132 -6.281 88 HB3 ALA 13 HB3 ALA 13 -7.893 -0.679 -5.051 89 H ALA 14 H ALA 14 -5.275 -1.723 -7.745 90 HA ALA 14 HA ALA 14 -7.276 -3.617 -8.736 91 HB1 ALA 14 HB1 ALA 14 -4.833 -2.479 -10.117 92 HB2 ALA 14 HB2 ALA 14 -6.128 -3.367 -10.857 93 HB3 ALA 14 HB3 ALA 14 -6.438 -1.784 -10.139 94 H ILE 15 H ILE 15 -3.922 -3.653 -7.906 95 HA ILE 15 HA ILE 15 -3.302 -6.391 -8.531 96 HB ILE 15 HB ILE 15 -2.113 -4.264 -6.822 97 HG12 ILE 15 1HG1 ILE 15 -0.906 -5.689 -9.172 98 HG13 ILE 15 2HG1 ILE 15 -1.966 -4.304 -9.343 99 HG21 ILE 15 1HG2 ILE 15 -0.961 -7.020 -7.088 100 HG22 ILE 15 2HG2 ILE 15 -0.179 -5.618 -6.443 101 HG23 ILE 15 3HG2 ILE 15 -1.530 -6.253 -5.609 102 HD11 ILE 15 1HD1 ILE 15 0.010 -3.422 -8.170 103 HD12 ILE 15 2HD1 ILE 15 0.467 -3.856 -8.435 104 HD13 ILE 15 3HD1 ILE 15 0.096 -3.493 -8.831 105 H ILE 16 H ILE 16 -4.216 -4.833 -5.485 106 HA ILE 16 HA ILE 16 -4.597 -7.057 -3.921 107 HB ILE 16 HB ILE 16 -5.925 -4.395 -3.946 108 HG12 ILE 16 HG12 ILE 16 -3.805 -5.742 -2.266 109 HG13 ILE 16 HG13 ILE 16 -3.532 -4.491 -3.432 110 HG21 ILE 16 HG21 ILE 16 -6.745 -4.927 -1.628 111 HG22 ILE 16 HG22 ILE 16 -7.494 -5.915 -2.792 112 HG23 ILE 16 HG23 ILE 16 -6.159 -6.563 -1.815 113 HD11 ILE 16 HD11 ILE 16 -4.903 -4.188 -0.801 114 HD12 ILE 16 HD12 ILE 16 -3.369 -3.543 -1.275 115 HD13 ILE 16 HD13 ILE 16 -4.814 -2.916 -2.030 116 H LYS 17 H LYS 17 -6.918 -5.675 -6.098 117 HA LYS 17 HA LYS 17 -9.058 -7.468 -5.659 118 HB2 LYS 17 1HB LYS 17 -9.381 -5.428 -6.757 119 HB3 LYS 17 2HB LYS 17 -8.118 -5.714 -7.916 120 HG2 LYS 17 1HG LYS 17 -10.247 -5.869 -9.008 121 HG3 LYS 17 2HG LYS 17 -9.390 -7.406 -8.973 122 HD2 LYS 17 1HD LYS 17 -10.952 -7.605 -6.709 123 HD3 LYS 17 2HD LYS 17 -11.940 -6.648 -7.754 124 HE2 LYS 17 1HE LYS 17 -11.587 -8.277 -9.573 125 HE3 LYS 17 2HE LYS 17 -10.762 -9.201 -8.410 126 HZ1 LYS 17 1HZ LYS 17 -13.261 -8.892 -7.973 127 HZ2 LYS 17 2HZ LYS 17 -13.059 -9.477 -8.380 128 HZ3 LYS 17 3HZ LYS 17 -12.880 -9.468 -7.709 129 H ALA 18 H ALA 18 -6.113 -8.006 -7.397 130 HA ALA 18 HA ALA 18 -7.045 -10.627 -8.391 131 HB1 ALA 18 HB1 ALA 18 -4.427 -9.229 -8.607 132 HB2 ALA 18 HB2 ALA 18 -4.835 -10.753 -9.344 133 HB3 ALA 18 HB3 ALA 18 -5.581 -9.319 -9.846 134 H GLY 19 H GLY 19 -4.687 -9.376 -6.058 135 HA2 GLY 19 HA2 GLY 19 -3.846 -11.821 -5.171 136 HA3 GLY 19 HA3 GLY 19 -3.728 -10.238 -4.362 137 H GLY 20 H GLY 20 -6.338 -9.816 -3.636 138 HA2 GLY 20 HA2 GLY 20 -7.938 -10.308 -2.169 139 HA3 GLY 20 HA3 GLY 20 -7.479 -11.986 -2.148 140 H PHE 21 H PHE 21 -5.284 -9.419 -1.402 141 HA PHE 21 HA PHE 21 -4.039 -10.296 0.650 142 HB2 PHE 21 HB2 PHE 21 -4.738 -7.481 0.098 143 HB3 PHE 21 HB3 PHE 21 -3.588 -8.009 1.324 144 HD1 PHE 21 HD1 PHE 21 -4.298 -8.211 -2.323 145 HD2 PHE 21 HD2 PHE 21 -1.306 -8.365 0.741 146 HE1 PHE 21 HE1 PHE 21 -2.561 -7.686 -3.989 147 HE2 PHE 21 HE2 PHE 21 0.409 -8.094 -0.920 148 HZ PHE 21 HZ PHE 21 -0.228 -7.733 -3.346 149 H ALA 24 H ALA 24 -3.126 -13.448 -2.551 150 HA ALA 24 HA ALA 24 -1.457 -14.559 -0.506 151 HB1 ALA 24 HB1 ALA 24 -3.340 -15.799 -1.215 152 HB2 ALA 24 HB2 ALA 24 -2.855 -15.776 -2.848 153 HB3 ALA 24 HB3 ALA 24 -1.980 -16.677 -1.684 154 H LYS 25 H LYS 25 -1.040 -14.170 -3.904 155 HA LYS 25 HA LYS 25 1.895 -14.541 -3.655 156 HB2 LYS 25 HB2 LYS 25 0.197 -15.331 -6.009 157 HB3 LYS 25 HB3 LYS 25 1.909 -15.540 -5.839 158 HG2 LYS 25 HG2 LYS 25 1.432 -17.080 -3.870 159 HG3 LYS 25 HG3 LYS 25 -0.243 -16.963 -4.264 160 HD2 LYS 25 HD2 LYS 25 0.140 -17.820 -6.504 161 HD3 LYS 25 HD3 LYS 25 1.789 -17.940 -6.171 162 HE2 LYS 25 HE2 LYS 25 1.447 -19.484 -4.379 163 HE3 LYS 25 HE3 LYS 25 -0.198 -19.419 -4.777 164 HZ1 LYS 25 HZ1 LYS 25 0.465 -20.236 -6.978 165 HZ2 LYS 25 HZ2 LYS 25 1.810 -20.506 -6.393 166 HZ3 LYS 25 HZ3 LYS 25 0.605 -21.203 -5.829 167 H ALA 26 H ALA 26 -0.610 -12.460 -4.645 168 HA ALA 26 HA ALA 26 0.804 -10.892 -6.532 169 HB1 ALA 26 HB1 ALA 26 -1.084 -9.407 -6.194 170 HB2 ALA 26 HB2 ALA 26 -1.678 -11.039 -6.324 171 HB3 ALA 26 HB3 ALA 26 -1.484 -10.262 -4.742 172 H ALA 27 H ALA 27 1.636 -11.315 -3.406 173 HA ALA 27 HA ALA 27 1.697 -8.735 -2.362 174 HB1 ALA 27 HB1 ALA 27 3.426 -11.093 -1.696 175 HB2 ALA 27 HB2 ALA 27 3.304 -9.663 -0.760 176 HB3 ALA 27 HB3 ALA 27 1.911 -10.675 -0.962 177 H ALA 28 H ALA 28 4.479 -10.369 -3.831 178 HA ALA 28 HA ALA 28 6.199 -8.268 -3.727 179 HB1 ALA 28 HB1 ALA 28 6.818 -10.523 -4.517 180 HB2 ALA 28 HB2 ALA 28 5.951 -10.199 -6.028 181 HB3 ALA 28 HB3 ALA 28 7.361 -9.273 -5.647 182 H ALA 29 H ALA 29 3.812 -8.698 -6.149 183 HA ALA 29 HA ALA 29 4.494 -6.476 -7.824 184 HB1 ALA 29 HB1 ALA 29 3.100 -8.288 -8.566 185 HB2 ALA 29 HB2 ALA 29 1.857 -7.850 -7.473 186 HB3 ALA 29 HB3 ALA 29 2.288 -6.793 -8.759 187 H ALA 30 H ALA 30 2.600 -6.575 -4.820 188 HA ALA 30 HA ALA 30 1.546 -3.902 -5.219 189 HB1 ALA 30 HB1 ALA 30 0.587 -4.354 -2.940 190 HB2 ALA 30 HB2 ALA 30 0.166 -5.601 -4.084 191 HB3 ALA 30 HB3 ALA 30 1.391 -5.867 -2.920 192 H ILE 31 H ILE 31 3.852 -5.574 -3.048 193 HA ILE 31 HA ILE 31 4.620 -3.313 -1.560 194 HB ILE 31 HB ILE 31 6.424 -5.574 -2.284 195 HG12 ILE 31 HG12 ILE 31 4.564 -6.776 -1.522 196 HG13 ILE 31 HG13 ILE 31 5.663 -6.700 -0.195 197 HG21 ILE 31 HG21 ILE 31 6.630 -3.807 -0.317 198 HG22 ILE 31 HG22 ILE 31 7.402 -4.232 -0.772 199 HG23 ILE 31 HG23 ILE 31 7.007 -4.653 0.028 200 HD11 ILE 31 HD11 ILE 31 3.377 -6.343 0.528 201 HD12 ILE 31 HD12 ILE 31 4.306 -4.925 0.830 202 HD13 ILE 31 HD13 ILE 31 3.213 -5.031 -0.489 203 H LYS 32 H LYS 32 6.060 -4.677 -4.484 204 HA LYS 32 HA LYS 32 8.211 -2.766 -4.632 205 HB2 LYS 32 HB2 LYS 32 6.949 -4.707 -6.612 206 HB3 LYS 32 HB3 LYS 32 8.382 -3.778 -6.971 207 HG2 LYS 32 HG2 LYS 32 9.498 -4.820 -4.969 208 HG3 LYS 32 HG3 LYS 32 8.142 -5.892 -4.849 209 HD2 LYS 32 HD2 LYS 32 8.457 -6.761 -7.024 210 HD3 LYS 32 HD3 LYS 32 9.730 -5.687 -7.238 211 HE2 LYS 32 HE2 LYS 32 11.025 -6.719 -5.447 212 HE3 LYS 32 HE3 LYS 32 9.719 -7.790 -5.205 213 HZ1 LYS 32 HZ1 LYS 32 11.241 -7.676 -7.541 214 HZ2 LYS 32 HZ2 LYS 32 11.366 -8.761 -6.421 215 HZ3 LYS 32 HZ3 LYS 32 10.071 -8.658 -7.316 216 H ALA 33 H ALA 33 5.002 -2.724 -6.070 217 HA ALA 33 HA ALA 33 5.584 -0.264 -7.386 218 HB1 ALA 33 HB1 ALA 33 3.065 -1.930 -7.181 219 HB2 ALA 33 HB2 ALA 33 3.196 -0.429 -8.077 220 HB3 ALA 33 HB3 ALA 33 4.164 -1.781 -8.533 221 H ILE 34 H ILE 34 4.990 -0.896 -4.273 222 HA ILE 34 HA ILE 34 4.133 1.940 -3.936 223 HB ILE 34 HB ILE 34 2.980 -0.333 -2.957 224 HG12 ILE 34 HG12 ILE 34 1.885 1.615 -3.721 225 HG13 ILE 34 HG13 ILE 34 1.271 1.002 -2.199 226 HG21 ILE 34 HG21 ILE 34 4.118 1.168 -0.622 227 HG22 ILE 34 HG22 ILE 34 2.783 0.076 -0.548 228 HG23 ILE 34 HG23 ILE 34 4.345 -0.514 -1.030 229 HD11 ILE 34 HD11 ILE 34 2.289 2.789 -0.983 230 HD12 ILE 34 HD12 ILE 34 3.053 3.432 -2.360 231 HD13 ILE 34 HD13 ILE 34 1.320 3.433 -2.210 232 H ALA 35 H ALA 35 6.392 -0.412 -2.354 233 HA ALA 35 HA ALA 35 7.271 1.644 -0.629 234 HB1 ALA 35 HB1 ALA 35 7.513 -0.620 -0.040 235 HB2 ALA 35 HB2 ALA 35 8.554 -0.950 -1.381 236 HB3 ALA 35 HB3 ALA 35 9.095 0.065 -0.076 237 H ALA 36 H ALA 36 8.480 0.505 -3.644 238 HA ALA 36 HA ALA 36 10.811 2.206 -3.833 239 HB1 ALA 36 HB1 ALA 36 10.621 0.134 -5.088 240 HB2 ALA 36 HB2 ALA 36 9.314 0.828 -6.025 241 HB3 ALA 36 HB3 ALA 36 10.910 1.496 -6.106 242 H ILE 37 H ILE 37 7.482 2.610 -4.626 243 HA ILE 37 HA ILE 37 7.804 5.132 -6.096 244 HB ILE 37 HB ILE 37 5.621 3.313 -5.322 245 HG12 ILE 37 HG12 ILE 37 4.938 3.609 -7.660 246 HG13 ILE 37 HG13 ILE 37 6.294 4.657 -7.910 247 HG21 ILE 37 HG21 ILE 37 5.100 6.154 -6.058 248 HG22 ILE 37 HG22 ILE 37 3.948 4.870 -6.184 249 HG23 ILE 37 HG23 ILE 37 4.539 5.230 -4.631 250 HD11 ILE 37 HD11 ILE 37 6.621 1.862 -7.002 251 HD12 ILE 37 HD12 ILE 37 6.605 2.292 -8.652 252 HD13 ILE 37 HD13 ILE 37 7.852 2.882 -7.625 253 H ILE 38 H ILE 38 6.714 4.229 -2.848 254 HA ILE 38 HA ILE 38 6.420 6.762 -1.804 255 HB ILE 38 HB ILE 38 7.414 4.198 -0.590 256 HG12 ILE 38 HG12 ILE 38 4.797 5.718 -0.476 257 HG13 ILE 38 HG13 ILE 38 5.081 4.367 -1.504 258 HG21 ILE 38 HG21 ILE 38 8.190 6.108 0.867 259 HG22 ILE 38 HG22 ILE 38 6.517 6.642 0.915 260 HG23 ILE 38 HG23 ILE 38 7.000 5.159 1.646 261 HD11 ILE 38 HD11 ILE 38 4.891 4.372 1.492 262 HD12 ILE 38 HD12 ILE 38 3.793 3.631 0.391 263 HD13 ILE 38 HD13 ILE 38 5.415 2.983 0.557 264 H LYS 39 H LYS 39 9.451 4.941 -2.055 265 HA LYS 39 HA LYS 39 11.138 6.734 -0.825 266 HB2 LYS 39 HB2 LYS 39 11.696 4.477 -1.308 267 HB3 LYS 39 HB3 LYS 39 11.460 4.721 -3.026 268 HG2 LYS 39 HG2 LYS 39 13.789 4.594 -2.601 269 HG3 LYS 39 HG3 LYS 39 13.329 6.181 -3.126 270 HD2 LYS 39 HD2 LYS 39 13.221 6.753 -0.597 271 HD3 LYS 39 HD3 LYS 39 14.078 5.420 -0.422 272 HE2 LYS 39 HE2 LYS 39 15.715 5.946 -1.747 273 HE3 LYS 39 HE3 LYS 39 14.816 7.271 -1.979 274 HZ1 LYS 39 HZ1 LYS 39 15.024 7.857 0.217 275 HZ2 LYS 39 HZ2 LYS 39 15.686 6.650 0.465 276 HZ3 LYS 39 HZ3 LYS 39 16.276 7.583 -0.363 277 H ALA 40 H ALA 40 9.713 7.047 -3.982 278 HA ALA 40 HA ALA 40 11.207 9.499 -4.397 279 HB1 ALA 40 HB1 ALA 40 11.069 7.878 -6.243 280 HB2 ALA 40 HB2 ALA 40 9.376 8.093 -6.310 281 HB3 ALA 40 HB3 ALA 40 10.403 9.396 -6.643 282 H GLY 41 H GLY 41 7.909 8.471 -3.753 283 HA2 GLY 41 HA2 GLY 41 6.810 10.960 -4.404 284 HA3 GLY 41 HA3 GLY 41 5.945 9.546 -3.905 285 H GLY 42 H GLY 42 7.811 9.744 -1.317 286 HA2 GLY 42 HA2 GLY 42 7.794 10.874 0.641 287 HA3 GLY 42 HA3 GLY 42 7.424 12.268 -0.315 288 H PHE 43 H PHE 43 5.610 9.375 0.634 289 HA PHE 43 HA PHE 43 3.192 10.557 0.338 290 HB2 PHE 43 HB2 PHE 43 4.186 7.960 1.222 291 HB3 PHE 43 HB3 PHE 43 2.469 8.350 1.374 292 HD1 PHE 43 HD1 PHE 43 5.243 8.275 -1.090 293 HD2 PHE 43 HD2 PHE 43 0.983 8.078 -0.532 294 HE1 PHE 43 HE1 PHE 43 4.936 7.202 -3.322 295 HE2 PHE 43 HE2 PHE 43 0.727 7.106 -2.690 296 HZ PHE 43 HZ PHE 43 2.686 6.743 -4.141 297 H ALA 46 H ALA 46 -6.623 11.704 -2.649 298 HA ALA 46 HA ALA 46 -4.899 10.283 -0.850 299 HB1 ALA 46 HB1 ALA 46 -4.391 12.522 -2.788 300 HB2 ALA 46 HB2 ALA 46 -3.135 11.617 -1.988 301 HB3 ALA 46 HB3 ALA 46 -4.221 10.845 -3.131 302 H LYS 47 H LYS 47 -6.633 13.102 -0.265 303 HA LYS 47 HA LYS 47 -5.119 14.357 1.681 304 HB2 LYS 47 HB2 LYS 47 -8.029 13.575 1.745 305 HB3 LYS 47 HB3 LYS 47 -7.250 14.599 2.924 306 HG2 LYS 47 HG2 LYS 47 -6.615 16.175 1.091 307 HG3 LYS 47 HG3 LYS 47 -7.628 15.217 0.089 308 HD2 LYS 47 HD2 LYS 47 -9.548 15.636 1.298 309 HD3 LYS 47 HD3 LYS 47 -8.628 16.365 2.436 310 HE2 LYS 47 HE2 LYS 47 -8.032 18.140 1.262 311 HE3 LYS 47 HE3 LYS 47 -8.861 17.426 0.062 312 HZ1 LYS 47 HZ1 LYS 47 -10.089 18.143 2.190 313 HZ2 LYS 47 HZ2 LYS 47 -10.802 17.803 1.047 314 HZ3 LYS 47 HZ3 LYS 47 -10.127 19.034 1.081 315 H ALA 48 H ALA 48 -6.534 11.186 1.835 316 HA ALA 48 HA ALA 48 -5.911 10.690 4.553 317 HB1 ALA 48 HB1 ALA 48 -7.870 9.880 3.365 318 HB2 ALA 48 HB2 ALA 48 -6.848 9.002 2.278 319 HB3 ALA 48 HB3 ALA 48 -6.939 8.504 3.942 320 H ALA 49 H ALA 49 -3.837 10.842 1.913 321 HA ALA 49 HA ALA 49 -2.754 8.261 1.954 322 HB1 ALA 49 HB1 ALA 49 -2.690 9.753 0.054 323 HB2 ALA 49 HB2 ALA 49 -1.529 10.812 0.894 324 HB3 ALA 49 HB3 ALA 49 -1.118 9.159 0.492 325 H ALA 50 H ALA 50 -1.392 11.168 3.611 326 HA ALA 50 HA ALA 50 0.888 9.828 4.542 327 HB1 ALA 50 HB1 ALA 50 0.093 11.842 6.146 328 HB2 ALA 50 HB2 ALA 50 0.873 11.905 5.471 329 HB3 ALA 50 HB3 ALA 50 -0.136 12.156 5.162 330 H ALA 51 H ALA 51 -2.229 10.167 6.054 331 HA ALA 51 HA ALA 51 -1.781 8.602 8.351 332 HB1 ALA 51 HB1 ALA 51 -3.655 10.157 7.996 333 HB2 ALA 51 HB2 ALA 51 -4.360 9.051 6.863 334 HB3 ALA 51 HB3 ALA 51 -4.183 8.587 8.527 335 H ALA 52 H ALA 52 -2.752 7.409 5.109 336 HA ALA 52 HA ALA 52 -3.222 4.745 6.100 337 HB1 ALA 52 HB1 ALA 52 -3.713 4.299 3.868 338 HB2 ALA 52 HB2 ALA 52 -4.310 5.920 4.182 339 HB3 ALA 52 HB3 ALA 52 -2.844 5.710 3.277 340 H ILE 53 H ILE 53 -0.738 6.426 4.256 341 HA ILE 53 HA ILE 53 0.749 4.092 3.707 342 HB ILE 53 HB ILE 53 1.503 7.003 3.501 343 HG12 ILE 53 HG12 ILE 53 -0.583 6.100 2.212 344 HG13 ILE 53 HG13 ILE 53 0.551 7.151 1.410 345 HG21 ILE 53 HG21 ILE 53 3.031 6.069 1.662 346 HG22 ILE 53 HG22 ILE 53 3.509 5.891 3.324 347 HG23 ILE 53 HG23 ILE 53 2.787 4.537 2.460 348 HD11 ILE 53 HD11 ILE 53 -0.308 5.316 0.060 349 HD12 ILE 53 HD12 ILE 53 1.451 5.393 0.120 350 HD13 ILE 53 HD13 ILE 53 0.608 4.177 1.076 351 H LYS 54 H LYS 54 1.020 6.563 6.192 352 HA LYS 54 HA LYS 54 3.636 5.795 7.061 353 HB2 LYS 54 HB2 LYS 54 1.402 7.426 8.265 354 HB3 LYS 54 HB3 LYS 54 2.854 7.043 9.168 355 HG2 LYS 54 HG2 LYS 54 4.231 8.014 7.323 356 HG3 LYS 54 HG3 LYS 54 2.788 8.553 6.524 357 HD2 LYS 54 HD2 LYS 54 3.493 10.423 7.701 358 HD3 LYS 54 HD3 LYS 54 2.182 9.767 8.666 359 HE2 LYS 54 HE2 LYS 54 3.616 8.693 10.185 360 HE3 LYS 54 HE3 LYS 54 4.934 9.133 9.179 361 HZ1 LYS 54 HZ1 LYS 54 3.350 10.891 10.664 362 HZ2 LYS 54 HZ2 LYS 54 4.747 10.599 10.958 363 HZ3 LYS 54 HZ3 LYS 54 4.381 11.419 9.734 364 H ALA 55 H ALA 55 0.529 4.435 7.716 365 HA ALA 55 HA ALA 55 1.482 2.543 9.674 366 HB1 ALA 55 HB1 ALA 55 -0.877 3.031 9.383 367 HB2 ALA 55 HB2 ALA 55 -0.863 2.408 7.797 368 HB3 ALA 55 HB3 ALA 55 -0.531 1.370 9.111 369 H ILE 56 H ILE 56 0.943 2.301 6.159 370 HA ILE 56 HA ILE 56 1.927 -0.385 6.177 371 HB ILE 56 HB ILE 56 0.261 0.900 4.624 372 HG12 ILE 56 1HG1 ILE 56 0.377 -1.437 4.835 373 HG13 ILE 56 2HG1 ILE 56 0.054 -0.892 3.211 374 HG21 ILE 56 1HG2 ILE 56 2.741 0.824 2.902 375 HG22 ILE 56 2HG2 ILE 56 1.147 1.097 2.293 376 HG23 ILE 56 3HG2 ILE 56 1.906 2.230 3.377 377 HD11 ILE 56 1HD1 ILE 56 2.293 -2.117 3.639 378 HD12 ILE 56 2HD1 ILE 56 1.857 -2.349 3.144 379 HD13 ILE 56 3HD1 ILE 56 2.299 -1.818 3.006 380 H ALA 57 H ALA 57 3.618 2.607 5.197 381 HA ALA 57 HA ALA 57 5.876 1.043 4.395 382 HB1 ALA 57 HB1 ALA 57 5.473 3.337 3.664 383 HB2 ALA 57 HB2 ALA 57 5.686 3.914 5.298 384 HB3 ALA 57 HB3 ALA 57 7.027 3.228 4.432 385 H ALA 58 H ALA 58 4.818 1.974 7.470 386 HA ALA 58 HA ALA 58 7.362 1.502 8.845 387 HB1 ALA 58 HB1 ALA 58 5.850 3.270 9.661 388 HB2 ALA 58 HB2 ALA 58 4.635 2.039 9.967 389 HB3 ALA 58 HB3 ALA 58 6.140 2.029 10.843 390 H ILE 59 H ILE 59 4.330 -0.088 8.240 391 HA ILE 59 HA ILE 59 4.883 -2.432 9.782 392 HB ILE 59 HB ILE 59 2.923 -1.840 7.571 393 HG12 ILE 59 HG12 ILE 59 2.291 -2.474 10.413 394 HG13 ILE 59 HG13 ILE 59 2.710 -0.845 9.967 395 HG21 ILE 59 HG21 ILE 59 3.406 -4.184 7.485 396 HG22 ILE 59 HG22 ILE 59 3.161 -4.338 9.178 397 HG23 ILE 59 HG23 ILE 59 1.873 -3.976 8.160 398 HD11 ILE 59 HD11 ILE 59 0.833 -0.885 8.412 399 HD12 ILE 59 HD12 ILE 59 0.375 -2.328 8.971 400 HD13 ILE 59 HD13 ILE 59 0.420 -1.061 9.888 401 H ILE 60 H ILE 60 5.283 -1.614 6.336 402 HA ILE 60 HA ILE 60 6.651 -3.796 5.517 403 HB ILE 60 HB ILE 60 6.840 -0.964 4.668 404 HG12 ILE 60 HG12 ILE 60 5.925 -3.591 3.493 405 HG13 ILE 60 HG13 ILE 60 4.880 -2.412 4.203 406 HG21 ILE 60 HG21 ILE 60 8.144 -1.634 2.732 407 HG22 ILE 60 HG22 ILE 60 9.088 -1.822 4.172 408 HG23 ILE 60 HG23 ILE 60 8.390 -3.209 3.368 409 HD11 ILE 60 HD11 ILE 60 4.676 -2.291 1.854 410 HD12 ILE 60 HD12 ILE 60 5.595 -0.837 2.361 411 HD13 ILE 60 HD13 ILE 60 6.406 -2.206 1.607 412 H LYS 61 H LYS 61 8.096 -1.084 7.137 413 HA LYS 61 HA LYS 61 10.758 -2.106 7.243 414 HB2 LYS 61 HB2 LYS 61 10.293 0.200 7.391 415 HB3 LYS 61 HB3 LYS 61 9.229 -0.048 8.743 416 HG2 LYS 61 HG2 LYS 61 11.294 0.956 9.486 417 HG3 LYS 61 HG3 LYS 61 11.113 -0.654 10.151 418 HD2 LYS 61 HD2 LYS 61 13.390 -0.361 9.521 419 HD3 LYS 61 HD3 LYS 61 12.659 -1.539 8.473 420 HE2 LYS 61 HE2 LYS 61 12.400 0.062 6.700 421 HE3 LYS 61 HE3 LYS 61 12.925 1.326 7.730 422 HZ1 LYS 61 HZ1 LYS 61 14.570 -0.952 7.027 423 HZ2 LYS 61 HZ2 LYS 61 14.656 0.408 6.364 424 HZ3 LYS 61 HZ3 LYS 61 15.036 0.206 7.812 425 H ALA 62 H ALA 62 8.007 -2.902 9.162 426 HA ALA 62 HA ALA 62 9.595 -4.386 11.110 427 HB1 ALA 62 HB1 ALA 62 6.620 -4.096 10.813 428 HB2 ALA 62 HB2 ALA 62 7.428 -4.908 12.064 429 HB3 ALA 62 HB3 ALA 62 7.612 -3.206 11.832 430 H GLY 63 H GLY 63 7.186 -5.182 8.558 431 HA2 GLY 63 HA2 GLY 63 7.407 -7.899 8.759 432 HA3 GLY 63 HA3 GLY 63 6.824 -7.027 7.384 433 H GLY 64 H GLY 64 9.289 -5.786 6.656 434 HA2 GLY 64 HA2 GLY 64 11.368 -6.169 5.777 435 HA3 GLY 64 HA3 GLY 64 11.310 -7.812 6.334 436 H PHE 65 H PHE 65 9.118 -6.089 4.179 437 HA PHE 65 HA PHE 65 8.360 -8.259 2.755 438 HB2 PHE 65 HB2 PHE 65 8.025 -5.342 2.307 439 HB3 PHE 65 HB3 PHE 65 7.384 -6.571 1.230 440 HD1 PHE 65 HD1 PHE 65 7.290 -5.444 4.772 441 HD2 PHE 65 HD2 PHE 65 5.362 -7.711 1.713 442 HE1 PHE 65 HE1 PHE 65 5.073 -5.148 5.898 443 HE2 PHE 65 HE2 PHE 65 3.256 -7.421 2.830 444 HZ PHE 65 HZ PHE 65 3.115 -6.167 4.909 445 H ALA 68 H ALA 68 7.382 -11.605 2.380 446 HA ALA 68 HA ALA 68 4.978 -10.136 2.621 447 HB1 ALA 68 HB1 ALA 68 4.242 -11.583 0.789 448 HB2 ALA 68 HB2 ALA 68 5.842 -10.965 0.501 449 HB3 ALA 68 HB3 ALA 68 5.615 -12.622 1.031 450 H LYS 69 H LYS 69 5.859 -12.799 4.447 451 HA LYS 69 HA LYS 69 3.378 -13.878 5.177 452 HB2 LYS 69 HB2 LYS 69 5.856 -13.247 6.797 453 HB3 LYS 69 HB3 LYS 69 4.511 -14.172 7.400 454 HG2 LYS 69 HG2 LYS 69 4.868 -15.836 5.603 455 HG3 LYS 69 HG3 LYS 69 6.304 -14.979 5.185 456 HD2 LYS 69 HD2 LYS 69 7.300 -15.277 7.331 457 HD3 LYS 69 HD3 LYS 69 5.909 -16.101 7.868 458 HE2 LYS 69 HE2 LYS 69 6.087 -17.761 6.193 459 HE3 LYS 69 HE3 LYS 69 7.488 -16.946 5.701 460 HZ1 LYS 69 HZ1 LYS 69 7.270 -18.068 8.236 461 HZ2 LYS 69 HZ2 LYS 69 7.974 -18.748 7.122 462 HZ3 LYS 69 HZ3 LYS 69 8.463 -17.486 7.674 463 H ALA 70 H ALA 70 4.657 -10.717 5.851 464 HA ALA 70 HA ALA 70 2.739 -9.983 7.803 465 HB1 ALA 70 HB1 ALA 70 5.028 -9.172 7.757 466 HB2 ALA 70 HB2 ALA 70 4.759 -8.514 6.152 467 HB3 ALA 70 HB3 ALA 70 3.925 -7.835 7.509 468 H ALA 71 H ALA 71 2.226 -10.481 4.606 469 HA ALA 71 HA ALA 71 1.498 -7.829 3.789 470 HB1 ALA 71 HB1 ALA 71 2.532 -9.490 2.320 471 HB2 ALA 71 HB2 ALA 71 1.010 -10.394 2.347 472 HB3 ALA 71 HB3 ALA 71 1.083 -8.772 1.638 473 H ALA 72 H ALA 72 -0.682 -10.540 4.561 474 HA ALA 72 HA ALA 72 -3.035 -9.103 3.978 475 HB1 ALA 72 HB1 ALA 72 -4.108 -10.754 5.378 476 HB2 ALA 72 HB2 ALA 72 -2.919 -11.543 4.371 477 HB3 ALA 72 HB3 ALA 72 -2.623 -11.267 6.053 478 H ALA 73 H ALA 73 -1.126 -9.367 6.970 479 HA ALA 73 HA ALA 73 -2.800 -7.695 8.521 480 HB1 ALA 73 HB1 ALA 73 -1.162 -9.217 9.473 481 HB2 ALA 73 HB2 ALA 73 0.116 -8.235 8.853 482 HB3 ALA 73 HB3 ALA 73 -0.928 -7.574 10.029 483 H ALA 74 H ALA 74 -0.120 -6.745 6.335 484 HA ALA 74 HA ALA 74 -0.099 -4.041 7.253 485 HB1 ALA 74 HB1 ALA 74 1.255 -3.707 5.379 486 HB2 ALA 74 HB2 ALA 74 1.697 -5.233 6.119 487 HB3 ALA 74 HB3 ALA 74 0.770 -5.214 4.638 488 H ILE 75 H ILE 75 -1.815 -5.824 4.730 489 HA ILE 75 HA ILE 75 -2.795 -3.358 3.571 490 HB ILE 75 HB ILE 75 -2.527 -6.172 2.727 491 HG12 ILE 75 HG12 ILE 75 -1.584 -3.426 1.827 492 HG13 ILE 75 HG13 ILE 75 -0.653 -4.527 2.776 493 HG21 ILE 75 HG21 ILE 75 -4.074 -4.063 1.337 494 HG22 ILE 75 HG22 ILE 75 -3.506 -5.559 0.543 495 HG23 ILE 75 HG23 ILE 75 -4.628 -5.611 1.889 496 HD11 ILE 75 HD11 ILE 75 0.113 -4.625 0.535 497 HD12 ILE 75 HD12 ILE 75 -0.550 -6.037 0.990 498 HD13 ILE 75 HD13 ILE 75 -1.421 -4.968 0.071 499 H LYS 76 H LYS 76 -4.033 -5.792 5.664 500 HA LYS 76 HA LYS 76 -6.797 -5.110 5.135 501 HB2 LYS 76 HB2 LYS 76 -5.261 -6.602 7.311 502 HB3 LYS 76 HB3 LYS 76 -6.967 -6.215 7.529 503 HG2 LYS 76 HG2 LYS 76 -7.579 -7.445 5.513 504 HG3 LYS 76 HG3 LYS 76 -5.909 -7.819 5.224 505 HD2 LYS 76 HD2 LYS 76 -5.793 -8.985 7.420 506 HD3 LYS 76 HD3 LYS 76 -7.463 -8.630 7.623 507 HE2 LYS 76 HE2 LYS 76 -8.110 -9.875 5.702 508 HE3 LYS 76 HE3 LYS 76 -6.469 -10.281 5.443 509 HZ1 LYS 76 HZ1 LYS 76 -7.915 -11.035 7.782 510 HZ2 LYS 76 HZ2 LYS 76 -7.556 -11.970 6.675 511 HZ3 LYS 76 HZ3 LYS 76 -6.489 -11.399 7.532 512 H ALA 77 H ALA 77 -4.283 -3.629 6.811 513 HA ALA 77 HA ALA 77 -5.973 -1.476 7.846 514 HB1 ALA 77 1HB ALA 77 -3.462 -1.543 8.192 515 HB2 ALA 77 2HB ALA 77 -3.484 -0.995 7.844 516 HB3 ALA 77 3HB ALA 77 -3.833 -1.061 8.377 517 H ILE 78 H ILE 78 -3.706 -1.669 5.074 518 HA ILE 78 HA ILE 78 -4.527 0.909 4.387 519 HB ILE 78 HB ILE 78 -2.358 -0.497 3.964 520 HG12 ILE 78 HG12 ILE 78 -2.431 1.876 4.000 521 HG13 ILE 78 HG13 ILE 78 -1.361 1.187 2.797 522 HG21 ILE 78 HG21 ILE 78 -1.942 -0.879 1.594 523 HG22 ILE 78 HG22 ILE 78 -3.270 -1.846 2.190 524 HG23 ILE 78 HG23 ILE 78 -3.583 -0.438 1.221 525 HD11 ILE 78 HD11 ILE 78 -2.436 3.200 1.966 526 HD12 ILE 78 HD12 ILE 78 -2.821 1.785 1.044 527 HD13 ILE 78 HD13 ILE 78 -4.005 2.414 2.125 528 H ALA 79 H ALA 79 -5.617 -2.138 2.923 529 HA ALA 79 HA ALA 79 -7.080 -0.792 0.883 530 HB1 ALA 79 HB1 ALA 79 -6.490 -3.198 0.856 531 HB2 ALA 79 HB2 ALA 79 -7.507 -3.491 2.191 532 HB3 ALA 79 HB3 ALA 79 -8.176 -2.946 0.639 533 H ALA 80 H ALA 80 -7.799 -1.393 4.165 534 HA ALA 80 HA ALA 80 -10.652 -0.753 3.937 535 HB1 ALA 80 HB1 ALA 80 -10.685 -0.972 6.300 536 HB2 ALA 80 HB2 ALA 80 -9.919 -2.381 5.564 537 HB3 ALA 80 HB3 ALA 80 -8.946 -1.228 6.365 538 H ILE 81 H ILE 81 -7.666 0.791 4.860 539 HA ILE 81 HA ILE 81 -8.744 3.328 5.659 540 HB ILE 81 HB ILE 81 -5.999 2.510 4.843 541 HG12 ILE 81 HG12 ILE 81 -6.995 3.389 7.559 542 HG13 ILE 81 HG13 ILE 81 -7.169 1.725 7.052 543 HG21 ILE 81 HG21 ILE 81 -7.152 5.137 5.752 544 HG22 ILE 81 HG22 ILE 81 -5.444 4.731 5.912 545 HG23 ILE 81 HG23 ILE 81 -6.212 4.805 4.322 546 HD11 ILE 81 HD11 ILE 81 -5.161 1.922 8.362 547 HD12 ILE 81 HD12 ILE 81 -4.714 1.644 6.698 548 HD13 ILE 81 HD13 ILE 81 -4.577 3.212 7.398 549 H ILE 82 H ILE 82 -7.378 2.152 2.509 550 HA ILE 82 HA ILE 82 -8.035 4.250 0.960 551 HB ILE 82 HB ILE 82 -7.984 1.363 0.369 552 HG12 ILE 82 HG12 ILE 82 -6.318 3.765 -0.444 553 HG13 ILE 82 HG13 ILE 82 -5.942 2.651 0.846 554 HG21 ILE 82 HG21 ILE 82 -8.572 3.531 -1.665 555 HG22 ILE 82 HG22 ILE 82 -8.086 1.931 -2.074 556 HG23 ILE 82 HG23 ILE 82 -9.589 2.166 -1.287 557 HD11 ILE 82 HD11 ILE 82 -5.978 2.012 -2.128 558 HD12 ILE 82 HD12 ILE 82 -4.614 2.150 -1.108 559 HD13 ILE 82 HD13 ILE 82 -5.755 0.820 -0.848 560 H LYS 83 H LYS 83 -10.264 1.707 1.728 561 HA LYS 83 HA LYS 83 -12.522 2.751 0.420 562 HB2 LYS 83 1HB LYS 83 -12.418 0.484 1.070 563 HB3 LYS 83 2HB LYS 83 -12.129 0.936 2.737 564 HG2 LYS 83 1HG LYS 83 -14.381 0.133 2.553 565 HG3 LYS 83 2HG LYS 83 -14.381 1.852 2.871 566 HD2 LYS 83 1HD LYS 83 -16.080 1.411 1.259 567 HD3 LYS 83 2HD LYS 83 -14.840 2.247 0.442 568 HE2 LYS 83 1HE LYS 83 -13.923 0.078 -0.374 569 HE3 LYS 83 2HE LYS 83 -15.205 -0.685 0.485 570 HZ1 LYS 83 1HZ LYS 83 -15.667 0.333 -1.726 571 HZ2 LYS 83 2HZ LYS 83 -16.262 -0.025 -1.322 572 HZ3 LYS 83 3HZ LYS 83 -16.238 0.775 -1.294 573 H ALA 84 H ALA 84 -11.177 3.727 3.469 574 HA ALA 84 HA ALA 84 -13.406 5.447 4.089 575 HB1 ALA 84 1HB ALA 84 -11.463 4.817 5.659 576 HB2 ALA 84 2HB ALA 84 -11.358 5.695 5.666 577 HB3 ALA 84 3HB ALA 84 -12.151 5.270 5.934 578 H GLY 85 H GLY 85 -10.020 5.923 2.992 579 HA2 GLY 85 HA2 GLY 85 -10.256 8.719 2.872 580 HA3 GLY 85 HA3 GLY 85 -8.992 7.723 2.090 581 H GLY 86 H GLY 86 -10.838 6.377 0.370 582 HA2 GLY 86 HA2 GLY 86 -12.126 6.672 -1.510 583 HA3 GLY 86 HA3 GLY 86 -12.057 8.369 -1.338 584 H PHE 87 H PHE 87 -9.053 6.426 -1.387 585 HA PHE 87 HA PHE 87 -7.872 7.910 -3.417 586 HB2 PHE 87 HB2 PHE 87 -7.216 5.184 -2.401 587 HB3 PHE 87 HB3 PHE 87 -6.147 6.298 -3.258 588 HD1 PHE 87 HD1 PHE 87 -8.116 5.910 -0.077 589 HD2 PHE 87 HD2 PHE 87 -4.599 7.523 -1.930 590 HE1 PHE 87 HE1 PHE 87 -6.919 5.695 2.030 591 HE2 PHE 87 HE2 PHE 87 -3.509 7.538 0.225 592 HZ PHE 87 HZ PHE 87 -4.663 6.614 2.226 593 H1 ACE 1 H1 ACE 1 5.188 14.663 -2.052 594 H2 ACE 1 H2 ACE 1 5.199 14.791 -2.647 595 H3 ACE 1 H3 ACE 1 5.173 15.278 -2.240 596 HN1 NH2 22 HN1 NH2 22 -7.021 -8.629 2.874 597 HN2 NH2 22 HN2 NH2 22 -6.720 -8.049 1.307 598 H1 ACE 23 H1 ACE 23 -0.521 -11.927 -0.602 599 H2 ACE 23 H2 ACE 23 -0.581 -11.637 -0.582 600 H3 ACE 23 H3 ACE 23 -0.720 -11.841 -0.420 601 HN1 NH2 44 HN1 NH2 44 3.708 10.354 4.393 602 HN2 NH2 44 HN2 NH2 44 4.643 9.352 3.377 603 H1 ACE 45 H1 ACE 45 -9.067 11.326 -2.125 604 H2 ACE 45 H2 ACE 45 -9.255 11.137 -1.767 605 H3 ACE 45 H3 ACE 45 -9.134 11.557 -1.762 606 HN1 NH2 66 HN1 NH2 66 11.119 -6.405 0.313 607 HN2 NH2 66 HN2 NH2 66 10.361 -5.504 1.560 608 H1 ACE 67 H1 ACE 67 8.835 -11.666 4.544 609 H2 ACE 67 H2 ACE 67 9.004 -10.987 4.240 610 H3 ACE 67 H3 ACE 67 8.807 -11.072 5.001 611 HN1 NH2 88 HN1 NH2 88 -7.858 5.809 -6.287 612 HN2 NH2 88 HN2 NH2 88 -6.878 6.937 -5.382 Start of MODEL 4 1 H1 ALA 2 H1 ALA 2 1.647 13.953 -1.082 2 HA ALA 2 HA ALA 2 -0.757 12.819 -1.853 3 HB1 ALA 2 HB1 ALA 2 -1.424 15.131 -1.918 4 HB2 ALA 2 HB2 ALA 2 -0.455 14.826 -0.545 5 HB3 ALA 2 HB3 ALA 2 0.196 15.618 -1.931 6 H LYS 3 H LYS 3 1.552 14.684 -3.746 7 HA LYS 3 HA LYS 3 0.113 14.534 -6.192 8 HB2 LYS 3 HB2 LYS 3 2.999 15.121 -5.526 9 HB3 LYS 3 HB3 LYS 3 2.328 15.258 -7.125 10 HG2 LYS 3 HG2 LYS 3 0.641 16.902 -6.216 11 HG3 LYS 3 HG3 LYS 3 1.488 16.811 -4.700 12 HD2 LYS 3 HD2 LYS 3 3.509 17.689 -5.673 13 HD3 LYS 3 HD3 LYS 3 2.729 17.630 -7.225 14 HE2 LYS 3 HE2 LYS 3 2.707 19.891 -6.527 15 HE3 LYS 3 HE3 LYS 3 1.113 19.235 -6.541 16 HZ1 LYS 3 HZ1 LYS 3 1.466 20.472 -4.652 17 HZ2 LYS 3 HZ2 LYS 3 1.260 18.969 -4.289 18 HZ3 LYS 3 HZ3 LYS 3 2.657 19.557 -4.265 19 H ALA 4 H ALA 4 2.047 12.154 -4.647 20 HA ALA 4 HA ALA 4 2.687 10.714 -7.115 21 HB1 ALA 4 HB1 ALA 4 4.157 9.607 -5.495 22 HB2 ALA 4 HB2 ALA 4 4.412 11.244 -5.453 23 HB3 ALA 4 HB3 ALA 4 3.513 10.629 -4.260 24 H ALA 5 H ALA 5 0.203 10.899 -4.917 25 HA ALA 5 HA ALA 5 -0.034 8.252 -4.077 26 HB1 ALA 5 HB1 ALA 5 -0.961 10.212 -2.887 27 HB2 ALA 5 HB2 ALA 5 -2.198 10.347 -4.148 28 HB3 ALA 5 HB3 ALA 5 -2.135 8.932 -3.129 29 H ALA 6 H ALA 6 -1.779 9.754 -6.764 30 HA ALA 6 HA ALA 6 -3.364 7.466 -7.236 31 HB1 ALA 6 HB1 ALA 6 -2.485 9.544 -9.202 32 HB2 ALA 6 HB2 ALA 6 -3.748 8.429 -9.412 33 HB3 ALA 6 HB3 ALA 6 -3.839 9.626 -8.219 34 H ALA 7 H ALA 7 -0.211 8.233 -8.410 35 HA ALA 7 HA ALA 7 0.178 5.969 -10.057 36 HB1 ALA 7 1HB ALA 7 1.997 7.720 -9.323 37 HB2 ALA 7 2HB ALA 7 2.377 7.053 -9.398 38 HB3 ALA 7 3HB ALA 7 1.983 7.294 -10.010 39 H ALA 8 H ALA 8 0.517 6.201 -6.504 40 HA ALA 8 HA ALA 8 1.773 3.556 -6.360 41 HB1 ALA 8 HB1 ALA 8 1.425 4.034 -3.914 42 HB2 ALA 8 HB2 ALA 8 2.459 5.126 -4.753 43 HB3 ALA 8 HB3 ALA 8 0.845 5.573 -4.331 44 H ILE 9 H ILE 9 -1.231 5.077 -5.509 45 HA ILE 9 HA ILE 9 -2.286 2.760 -4.204 46 HB ILE 9 HB ILE 9 -3.787 5.144 -5.200 47 HG12 ILE 9 HG12 ILE 9 -1.880 5.761 -3.720 48 HG13 ILE 9 HG13 ILE 9 -3.457 6.301 -3.255 49 HG21 ILE 9 HG21 ILE 9 -4.517 2.826 -3.568 50 HG22 ILE 9 HG22 ILE 9 -5.132 4.331 -3.003 51 HG23 ILE 9 HG23 ILE 9 -5.463 3.795 -4.629 52 HD11 ILE 9 HD11 ILE 9 -2.056 3.996 -1.988 53 HD12 ILE 9 HD12 ILE 9 -2.008 5.592 -1.389 54 HD13 ILE 9 HD13 ILE 9 -3.502 4.710 -1.407 55 H LYS 10 H LYS 10 -2.751 4.182 -7.412 56 HA LYS 10 HA LYS 10 -5.024 2.507 -8.020 57 HB2 LYS 10 HB2 LYS 10 -3.320 4.372 -9.719 58 HB3 LYS 10 HB3 LYS 10 -4.676 3.455 -10.352 59 HG2 LYS 10 HG2 LYS 10 -6.187 4.589 -8.735 60 HG3 LYS 10 HG3 LYS 10 -4.826 5.536 -8.167 61 HD2 LYS 10 HD2 LYS 10 -5.907 6.948 -9.675 62 HD3 LYS 10 HD3 LYS 10 -4.508 6.363 -10.539 63 HE2 LYS 10 HE2 LYS 10 -5.887 4.636 -11.633 64 HE3 LYS 10 HE3 LYS 10 -7.243 5.329 -10.854 65 HZ1 LYS 10 HZ1 LYS 10 -7.011 6.143 -13.083 66 HZ2 LYS 10 HZ2 LYS 10 -6.922 7.232 -12.037 67 HZ3 LYS 10 HZ3 LYS 10 -5.660 6.745 -12.645 68 H ALA 11 H ALA 11 -1.654 2.155 -8.356 69 HA ALA 11 HA ALA 11 -1.848 -0.369 -9.780 70 HB1 ALA 11 HB1 ALA 11 0.434 -0.662 -8.986 71 HB2 ALA 11 HB2 ALA 11 0.228 0.855 -9.816 72 HB3 ALA 11 HB3 ALA 11 0.316 0.792 -8.044 73 H ILE 12 H ILE 12 -1.287 0.465 -6.340 74 HA ILE 12 HA ILE 12 -1.262 -2.298 -5.742 75 HB ILE 12 HB ILE 12 -0.173 -0.279 -4.644 76 HG12 ILE 12 HG12 ILE 12 0.307 -2.596 -4.264 77 HG13 ILE 12 HG13 ILE 12 0.641 -1.479 -2.972 78 HG21 ILE 12 HG21 ILE 12 -2.451 -0.563 -2.750 79 HG22 ILE 12 HG22 ILE 12 -1.028 0.378 -2.521 80 HG23 ILE 12 HG23 ILE 12 -2.172 0.749 -3.784 81 HD11 ILE 12 HD11 ILE 12 -0.124 -3.547 -2.128 82 HD12 ILE 12 HD12 ILE 12 -1.272 -2.340 -1.745 83 HD13 ILE 12 HD13 ILE 12 -1.573 -3.418 -3.036 84 H ALA 13 H ALA 13 -3.965 0.020 -5.364 85 HA ALA 13 HA ALA 13 -5.573 -1.927 -4.024 86 HB1 ALA 13 HB1 ALA 13 -6.419 0.479 -5.613 87 HB2 ALA 13 HB2 ALA 13 -7.350 -0.361 -4.430 88 HB3 ALA 13 HB3 ALA 13 -5.906 0.487 -3.985 89 H ALA 14 H ALA 14 -4.823 -1.502 -7.346 90 HA ALA 14 HA ALA 14 -7.094 -3.136 -8.284 91 HB1 ALA 14 HB1 ALA 14 -6.259 -2.633 -10.485 92 HB2 ALA 14 HB2 ALA 14 -6.427 -1.130 -9.582 93 HB3 ALA 14 HB3 ALA 14 -4.837 -1.873 -9.827 94 H ILE 15 H ILE 15 -3.655 -3.316 -7.831 95 HA ILE 15 HA ILE 15 -3.318 -6.024 -8.673 96 HB ILE 15 HB ILE 15 -1.695 -4.341 -6.789 97 HG12 ILE 15 HG12 ILE 15 -0.993 -5.088 -9.609 98 HG13 ILE 15 HG13 ILE 15 -1.863 -3.621 -9.272 99 HG21 ILE 15 HG21 ILE 15 0.106 -6.016 -7.279 100 HG22 ILE 15 HG22 ILE 15 -1.218 -6.651 -6.360 101 HG23 ILE 15 HG23 ILE 15 -1.105 -7.008 -8.079 102 HD11 ILE 15 HD11 ILE 15 0.368 -2.946 -9.470 103 HD12 ILE 15 HD12 ILE 15 0.025 -2.914 -7.788 104 HD13 ILE 15 HD13 ILE 15 0.942 -4.213 -8.484 105 H ILE 16 H ILE 16 -3.915 -4.617 -5.419 106 HA ILE 16 HA ILE 16 -4.368 -6.976 -4.103 107 HB ILE 16 HB ILE 16 -5.508 -4.232 -3.826 108 HG12 ILE 16 HG12 ILE 16 -3.806 -6.083 -2.106 109 HG13 ILE 16 HG13 ILE 16 -3.234 -4.829 -3.197 110 HG21 ILE 16 HG21 ILE 16 -7.366 -5.626 -3.031 111 HG22 ILE 16 HG22 ILE 16 -6.189 -6.497 -1.984 112 HG23 ILE 16 HG23 ILE 16 -6.635 -4.846 -1.711 113 HD11 ILE 16 HD11 ILE 16 -3.099 -4.015 -0.918 114 HD12 ILE 16 HD12 ILE 16 -4.375 -3.141 -1.747 115 HD13 ILE 16 HD13 ILE 16 -4.759 -4.495 -0.627 116 H LYS 17 H LYS 17 -6.734 -5.266 -6.024 117 HA LYS 17 HA LYS 17 -8.908 -7.067 -5.703 118 HB2 LYS 17 HB2 LYS 17 -9.156 -4.819 -6.443 119 HB3 LYS 17 HB3 LYS 17 -8.092 -5.097 -7.801 120 HG2 LYS 17 HG2 LYS 17 -10.268 -4.973 -8.655 121 HG3 LYS 17 HG3 LYS 17 -9.720 -6.604 -8.773 122 HD2 LYS 17 HD2 LYS 17 -12.009 -6.640 -8.097 123 HD3 LYS 17 HD3 LYS 17 -11.074 -7.117 -6.722 124 HE2 LYS 17 HE2 LYS 17 -11.547 -5.339 -5.533 125 HE3 LYS 17 HE3 LYS 17 -11.671 -4.519 -6.770 126 HZ1 LYS 17 HZ1 LYS 17 -13.195 -5.035 -7.156 127 HZ2 LYS 17 HZ2 LYS 17 -13.413 -4.412 -5.966 128 HZ3 LYS 17 HZ3 LYS 17 -13.246 -5.655 -6.345 129 H ALA 18 H ALA 18 -6.054 -7.330 -7.725 130 HA ALA 18 HA ALA 18 -7.075 -9.603 -9.180 131 HB1 ALA 18 HB1 ALA 18 -5.695 -7.997 -10.289 132 HB2 ALA 18 HB2 ALA 18 -4.409 -8.226 -9.191 133 HB3 ALA 18 HB3 ALA 18 -4.855 -9.486 -10.238 134 H GLY 19 H GLY 19 -4.536 -9.061 -6.665 135 HA2 GLY 19 HA2 GLY 19 -3.801 -11.710 -6.467 136 HA3 GLY 19 HA3 GLY 19 -3.516 -10.449 -5.275 137 H GLY 20 H GLY 20 -6.207 -9.952 -4.616 138 HA2 GLY 20 HA2 GLY 20 -8.089 -10.940 -3.573 139 HA3 GLY 20 HA3 GLY 20 -7.330 -12.465 -3.642 140 H PHE 21 H PHE 21 -5.746 -9.640 -2.371 141 HA PHE 21 HA PHE 21 -5.020 -10.761 0.150 142 HB2 PHE 21 HB2 PHE 21 -5.076 -7.934 -0.658 143 HB3 PHE 21 HB3 PHE 21 -4.197 -8.707 0.652 144 HD1 PHE 21 HD1 PHE 21 -4.431 -8.566 -3.048 145 HD2 PHE 21 HD2 PHE 21 -1.954 -9.465 0.317 146 HE1 PHE 21 HE1 PHE 21 -2.441 -7.810 -4.315 147 HE2 PHE 21 HE2 PHE 21 0.017 -9.099 -1.069 148 HZ PHE 21 HZ PHE 21 -0.258 -8.100 -3.346 149 H ALA 24 H ALA 24 -2.088 -13.971 0.084 150 HA ALA 24 HA ALA 24 -0.361 -11.891 -0.623 151 HB1 ALA 24 HB1 ALA 24 -0.663 -12.856 1.575 152 HB2 ALA 24 HB2 ALA 24 0.151 -14.257 1.111 153 HB3 ALA 24 HB3 ALA 24 0.970 -12.714 1.139 154 H LYS 25 H LYS 25 -0.513 -14.986 -1.999 155 HA LYS 25 HA LYS 25 1.975 -15.383 -3.140 156 HB2 LYS 25 HB2 LYS 25 -0.665 -15.491 -4.544 157 HB3 LYS 25 HB3 LYS 25 0.829 -16.131 -5.115 158 HG2 LYS 25 HG2 LYS 25 0.964 -17.587 -3.132 159 HG3 LYS 25 HG3 LYS 25 -0.607 -17.046 -2.664 160 HD2 LYS 25 HD2 LYS 25 -0.036 -18.465 -5.254 161 HD3 LYS 25 HD3 LYS 25 -0.627 -19.174 -3.758 162 HE2 LYS 25 HE2 LYS 25 -2.592 -17.813 -3.787 163 HE3 LYS 25 HE3 LYS 25 -2.078 -17.117 -5.239 164 HZ1 LYS 25 HZ1 LYS 25 -2.689 -19.805 -4.971 165 HZ2 LYS 25 HZ2 LYS 25 -3.519 -18.761 -5.705 166 HZ3 LYS 25 HZ3 LYS 25 -2.181 -19.172 -6.234 167 H ALA 26 H ALA 26 -0.284 -12.864 -3.791 168 HA ALA 26 HA ALA 26 1.070 -11.699 -6.060 169 HB1 ALA 26 HB1 ALA 26 -1.237 -10.686 -4.419 170 HB2 ALA 26 HB2 ALA 26 -0.833 -10.149 -5.969 171 HB3 ALA 26 HB3 ALA 26 -1.414 -11.807 -5.735 172 H ALA 27 H ALA 27 1.958 -11.594 -2.883 173 HA ALA 27 HA ALA 27 1.805 -8.885 -2.292 174 HB1 ALA 27 HB1 ALA 27 3.247 -9.397 -0.417 175 HB2 ALA 27 HB2 ALA 27 1.950 -10.528 -0.603 176 HB3 ALA 27 HB3 ALA 27 3.550 -11.008 -1.104 177 H ALA 28 H ALA 28 4.828 -10.522 -3.222 178 HA ALA 28 HA ALA 28 6.379 -8.265 -3.167 179 HB1 ALA 28 HB1 ALA 28 7.285 -10.520 -3.436 180 HB2 ALA 28 HB2 ALA 28 6.642 -10.615 -5.000 181 HB3 ALA 28 HB3 ALA 28 7.895 -9.465 -4.620 182 H ALA 29 H ALA 29 4.481 -9.391 -5.854 183 HA ALA 29 HA ALA 29 5.150 -7.312 -7.663 184 HB1 ALA 29 HB1 ALA 29 2.694 -8.987 -7.544 185 HB2 ALA 29 HB2 ALA 29 3.130 -7.968 -8.884 186 HB3 ALA 29 HB3 ALA 29 4.107 -9.357 -8.413 187 H ALA 30 H ALA 30 2.651 -7.295 -5.104 188 HA ALA 30 HA ALA 30 1.514 -4.852 -6.161 189 HB1 ALA 30 HB1 ALA 30 1.062 -6.082 -3.437 190 HB2 ALA 30 HB2 ALA 30 -0.012 -5.087 -4.376 191 HB3 ALA 30 HB3 ALA 30 0.378 -6.749 -4.884 192 H ILE 31 H ILE 31 3.548 -5.859 -3.525 193 HA ILE 31 HA ILE 31 3.676 -3.311 -2.268 194 HB ILE 31 HB ILE 31 5.647 -5.585 -2.026 195 HG12 ILE 31 HG12 ILE 31 3.232 -6.200 -1.531 196 HG13 ILE 31 HG13 ILE 31 4.388 -6.507 -0.266 197 HG21 ILE 31 HG21 ILE 31 5.840 -4.442 0.309 198 HG22 ILE 31 HG22 ILE 31 6.719 -3.844 -1.069 199 HG23 ILE 31 HG23 ILE 31 5.222 -3.032 -0.554 200 HD11 ILE 31 HD11 ILE 31 2.610 -4.135 -0.299 201 HD12 ILE 31 HD12 ILE 31 2.258 -5.567 0.502 202 HD13 ILE 31 HD13 ILE 31 3.607 -4.644 0.983 203 H LYS 32 H LYS 32 5.777 -4.860 -4.631 204 HA LYS 32 HA LYS 32 7.833 -2.886 -4.684 205 HB2 LYS 32 HB2 LYS 32 6.727 -4.934 -6.597 206 HB3 LYS 32 HB3 LYS 32 8.003 -3.833 -7.077 207 HG2 LYS 32 HG2 LYS 32 9.423 -4.633 -5.196 208 HG3 LYS 32 HG3 LYS 32 8.173 -5.760 -4.719 209 HD2 LYS 32 HD2 LYS 32 8.203 -6.770 -7.009 210 HD3 LYS 32 HD3 LYS 32 9.563 -5.715 -7.349 211 HE2 LYS 32 HE2 LYS 32 10.906 -6.693 -5.608 212 HE3 LYS 32 HE3 LYS 32 9.531 -7.663 -5.136 213 HZ1 LYS 32 HZ1 LYS 32 9.641 -8.755 -7.235 214 HZ2 LYS 32 HZ2 LYS 32 10.868 -7.938 -7.668 215 HZ3 LYS 32 HZ3 LYS 32 10.961 -8.933 -6.463 216 H ALA 33 H ALA 33 4.768 -3.140 -6.395 217 HA ALA 33 HA ALA 33 5.011 -0.707 -7.805 218 HB1 ALA 33 HB1 ALA 33 2.654 -1.102 -8.354 219 HB2 ALA 33 HB2 ALA 33 3.621 -2.539 -8.553 220 HB3 ALA 33 HB3 ALA 33 2.566 -2.329 -7.145 221 H ILE 34 H ILE 34 4.613 -0.972 -4.441 222 HA ILE 34 HA ILE 34 3.772 1.847 -4.509 223 HB ILE 34 HB ILE 34 1.994 0.569 -3.620 224 HG12 ILE 34 HG12 ILE 34 3.505 2.155 -1.571 225 HG13 ILE 34 HG13 ILE 34 2.703 2.850 -2.915 226 HG21 ILE 34 HG21 ILE 34 2.211 -0.527 -1.375 227 HG22 ILE 34 HG22 ILE 34 3.194 -1.266 -2.583 228 HG23 ILE 34 HG23 ILE 34 3.945 -0.164 -1.440 229 HD11 ILE 34 HD11 ILE 34 1.449 2.622 -0.739 230 HD12 ILE 34 HD12 ILE 34 0.760 2.452 -1.795 231 HD13 ILE 34 HD13 ILE 34 1.076 1.483 -1.105 232 H ALA 35 H ALA 35 5.953 -0.482 -2.823 233 HA ALA 35 HA ALA 35 6.982 1.614 -1.217 234 HB1 ALA 35 HB1 ALA 35 8.562 0.013 -0.505 235 HB2 ALA 35 HB2 ALA 35 7.050 -0.807 -0.758 236 HB3 ALA 35 HB3 ALA 35 8.356 -0.948 -1.944 237 H ALA 36 H ALA 36 7.800 0.700 -4.409 238 HA ALA 36 HA ALA 36 10.314 2.191 -4.440 239 HB1 ALA 36 HB1 ALA 36 10.002 0.074 -5.710 240 HB2 ALA 36 HB2 ALA 36 8.812 0.889 -6.718 241 HB3 ALA 36 HB3 ALA 36 10.438 1.433 -6.727 242 H ILE 37 H ILE 37 7.070 2.742 -5.080 243 HA ILE 37 HA ILE 37 7.396 5.262 -6.559 244 HB ILE 37 HB ILE 37 4.957 3.804 -5.580 245 HG12 ILE 37 HG12 ILE 37 4.481 3.672 -7.977 246 HG13 ILE 37 HG13 ILE 37 6.048 4.289 -8.323 247 HG21 ILE 37 HG21 ILE 37 5.229 6.369 -7.099 248 HG22 ILE 37 HG22 ILE 37 3.751 5.467 -6.904 249 HG23 ILE 37 HG23 ILE 37 4.541 6.150 -5.506 250 HD11 ILE 37 HD11 ILE 37 5.799 1.772 -6.980 251 HD12 ILE 37 HD12 ILE 37 5.859 1.903 -8.486 252 HD13 ILE 37 HD13 ILE 37 6.991 2.299 -7.693 253 H ILE 38 H ILE 38 6.337 4.170 -3.342 254 HA ILE 38 HA ILE 38 6.168 6.574 -2.049 255 HB ILE 38 HB ILE 38 7.036 3.890 -1.054 256 HG12 ILE 38 HG12 ILE 38 4.582 5.646 -0.861 257 HG13 ILE 38 HG13 ILE 38 4.718 4.208 -1.816 258 HG21 ILE 38 HG21 ILE 38 6.830 4.706 1.232 259 HG22 ILE 38 HG22 ILE 38 8.063 5.601 0.443 260 HG23 ILE 38 HG23 ILE 38 6.490 6.330 0.675 261 HD11 ILE 38 HD11 ILE 38 4.662 4.358 1.212 262 HD12 ILE 38 HD12 ILE 38 3.435 3.771 0.215 263 HD13 ILE 38 HD13 ILE 38 4.941 2.880 0.276 264 H LYS 39 H LYS 39 9.135 4.718 -2.569 265 HA LYS 39 HA LYS 39 10.979 6.386 -1.375 266 HB2 LYS 39 HB2 LYS 39 11.408 4.142 -2.043 267 HB3 LYS 39 HB3 LYS 39 10.953 4.488 -3.684 268 HG2 LYS 39 HG2 LYS 39 13.284 4.169 -3.656 269 HG3 LYS 39 HG3 LYS 39 12.989 5.873 -3.937 270 HD2 LYS 39 HD2 LYS 39 13.149 5.953 -1.283 271 HD3 LYS 39 HD3 LYS 39 14.140 4.745 -1.681 272 HE2 LYS 39 HE2 LYS 39 15.302 5.655 -3.102 273 HE3 LYS 39 HE3 LYS 39 14.551 6.818 -2.616 274 HZ1 LYS 39 HZ1 LYS 39 16.074 6.027 -1.261 275 HZ2 LYS 39 HZ2 LYS 39 16.409 7.149 -1.775 276 HZ3 LYS 39 HZ3 LYS 39 15.561 7.047 -0.984 277 H ALA 40 H ALA 40 9.348 6.853 -4.414 278 HA ALA 40 HA ALA 40 10.977 9.164 -5.025 279 HB1 ALA 40 HB1 ALA 40 10.270 7.719 -6.802 280 HB2 ALA 40 HB2 ALA 40 8.615 8.013 -6.461 281 HB3 ALA 40 HB3 ALA 40 9.600 9.288 -6.995 282 H GLY 41 H GLY 41 7.556 8.531 -4.177 283 HA2 GLY 41 HA2 GLY 41 6.674 11.081 -4.292 284 HA3 GLY 41 HA3 GLY 41 5.921 9.787 -3.416 285 H GLY 42 H GLY 42 8.020 9.430 -1.379 286 HA2 GLY 42 HA2 GLY 42 8.564 10.292 0.675 287 HA3 GLY 42 HA3 GLY 42 8.415 11.886 -0.012 288 H PHE 43 H PHE 43 6.207 9.215 0.636 289 HA PHE 43 HA PHE 43 3.916 10.798 1.067 290 HB2 PHE 43 HB2 PHE 43 4.606 7.914 1.348 291 HB3 PHE 43 HB3 PHE 43 3.047 8.552 1.773 292 HD1 PHE 43 HD1 PHE 43 5.386 8.062 -0.997 293 HD2 PHE 43 HD2 PHE 43 1.393 9.125 0.063 294 HE1 PHE 43 HE1 PHE 43 4.598 7.268 -3.221 295 HE2 PHE 43 HE2 PHE 43 0.624 8.381 -2.105 296 HZ PHE 43 HZ PHE 43 2.218 7.408 -3.762 297 H ALA 46 H ALA 46 -6.330 11.916 -2.388 298 HA ALA 46 HA ALA 46 -4.749 10.525 -0.497 299 HB1 ALA 46 HB1 ALA 46 -2.913 11.739 -1.450 300 HB2 ALA 46 HB2 ALA 46 -3.963 11.272 -2.728 301 HB3 ALA 46 HB3 ALA 46 -4.001 12.905 -2.147 302 H LYS 47 H LYS 47 -6.821 12.869 0.087 303 HA LYS 47 HA LYS 47 -5.777 14.329 2.263 304 HB2 LYS 47 HB2 LYS 47 -8.468 12.996 1.924 305 HB3 LYS 47 HB3 LYS 47 -8.032 14.149 3.164 306 HG2 LYS 47 HG2 LYS 47 -7.557 15.853 1.454 307 HG3 LYS 47 HG3 LYS 47 -8.063 14.731 0.238 308 HD2 LYS 47 HD2 LYS 47 -10.287 14.538 1.337 309 HD3 LYS 47 HD3 LYS 47 -9.756 15.756 2.425 310 HE2 LYS 47 HE2 LYS 47 -9.403 17.318 0.545 311 HE3 LYS 47 HE3 LYS 47 -9.984 16.080 -0.484 312 HZ1 LYS 47 HZ1 LYS 47 -11.533 17.229 1.616 313 HZ2 LYS 47 HZ2 LYS 47 -11.693 17.575 0.117 314 HZ3 LYS 47 HZ3 LYS 47 -12.022 16.157 0.627 315 H ALA 48 H ALA 48 -6.661 10.964 1.966 316 HA ALA 48 HA ALA 48 -6.152 10.289 4.754 317 HB1 ALA 48 HB1 ALA 48 -6.911 8.789 2.230 318 HB2 ALA 48 HB2 ALA 48 -6.874 8.057 3.785 319 HB3 ALA 48 HB3 ALA 48 -7.999 9.312 3.448 320 H ALA 49 H ALA 49 -4.017 10.862 2.300 321 HA ALA 49 HA ALA 49 -2.696 8.345 2.177 322 HB1 ALA 49 HB1 ALA 49 -1.063 9.447 0.820 323 HB2 ALA 49 HB2 ALA 49 -2.665 9.893 0.322 324 HB3 ALA 49 HB3 ALA 49 -1.694 11.023 1.242 325 H ALA 50 H ALA 50 -1.529 11.268 3.826 326 HA ALA 50 HA ALA 50 0.732 10.048 4.863 327 HB1 ALA 50 HB1 ALA 50 0.317 12.469 4.980 328 HB2 ALA 50 HB2 ALA 50 -0.807 12.229 6.233 329 HB3 ALA 50 HB3 ALA 50 0.845 11.812 6.478 330 H ALA 51 H ALA 51 -2.436 9.855 6.146 331 HA ALA 51 HA ALA 51 -1.735 8.291 8.464 332 HB1 ALA 51 HB1 ALA 51 -3.735 9.578 8.487 333 HB2 ALA 51 HB2 ALA 51 -4.389 8.699 7.158 334 HB3 ALA 51 HB3 ALA 51 -4.128 7.906 8.695 335 H ALA 52 H ALA 52 -2.731 7.338 5.083 336 HA ALA 52 HA ALA 52 -3.176 4.639 5.888 337 HB1 ALA 52 HB1 ALA 52 -4.274 5.786 4.047 338 HB2 ALA 52 HB2 ALA 52 -2.749 5.924 3.180 339 HB3 ALA 52 HB3 ALA 52 -3.482 4.375 3.522 340 H ILE 53 H ILE 53 -0.726 6.503 4.407 341 HA ILE 53 HA ILE 53 0.915 4.249 3.659 342 HB ILE 53 HB ILE 53 1.611 7.159 3.750 343 HG12 ILE 53 HG12 ILE 53 -0.421 6.534 2.317 344 HG13 ILE 53 HG13 ILE 53 0.827 7.516 1.615 345 HG21 ILE 53 HG21 ILE 53 3.159 6.284 1.788 346 HG22 ILE 53 HG22 ILE 53 3.609 6.112 3.462 347 HG23 ILE 53 HG23 ILE 53 2.902 4.775 2.579 348 HD11 ILE 53 HD11 ILE 53 1.597 5.643 0.265 349 HD12 ILE 53 HD12 ILE 53 0.498 4.580 1.112 350 HD13 ILE 53 HD13 ILE 53 -0.075 5.848 0.076 351 H LYS 54 H LYS 54 0.984 6.547 6.312 352 HA LYS 54 HA LYS 54 3.568 5.749 7.327 353 HB2 LYS 54 1HB LYS 54 1.188 7.290 8.346 354 HB3 LYS 54 2HB LYS 54 2.445 6.881 9.463 355 HG2 LYS 54 1HG LYS 54 2.859 8.517 6.956 356 HG3 LYS 54 2HG LYS 54 2.645 9.138 8.583 357 HD2 LYS 54 1HD LYS 54 4.622 7.976 9.342 358 HD3 LYS 54 2HD LYS 54 4.797 7.448 7.709 359 HE2 LYS 54 1HE LYS 54 6.342 9.119 7.861 360 HE3 LYS 54 2HE LYS 54 5.002 9.740 7.021 361 HZ1 LYS 54 1HZ LYS 54 4.752 10.562 9.198 362 HZ2 LYS 54 2HZ LYS 54 5.538 10.582 9.372 363 HZ3 LYS 54 3HZ LYS 54 5.264 11.057 8.834 364 H ALA 55 H ALA 55 0.424 4.336 7.699 365 HA ALA 55 HA ALA 55 1.320 2.398 9.655 366 HB1 ALA 55 1HB ALA 55 -0.960 2.511 8.775 367 HB2 ALA 55 2HB ALA 55 -0.860 2.070 8.203 368 HB3 ALA 55 3HB ALA 55 -0.823 1.820 8.877 369 H ILE 56 H ILE 56 0.889 2.294 6.106 370 HA ILE 56 HA ILE 56 1.835 -0.381 6.135 371 HB ILE 56 HB ILE 56 0.181 0.642 4.581 372 HG12 ILE 56 1HG1 ILE 56 2.050 -1.289 4.426 373 HG13 ILE 56 2HG1 ILE 56 0.828 -1.250 3.889 374 HG21 ILE 56 1HG2 ILE 56 1.571 2.330 3.659 375 HG22 ILE 56 2HG2 ILE 56 2.505 1.240 2.852 376 HG23 ILE 56 3HG2 ILE 56 0.909 1.420 2.420 377 HD11 ILE 56 1HD1 ILE 56 0.994 -1.504 2.578 378 HD12 ILE 56 2HD1 ILE 56 1.756 -1.226 2.705 379 HD13 ILE 56 3HD1 ILE 56 1.443 -2.473 2.537 380 H ALA 57 H ALA 57 3.580 2.635 5.245 381 HA ALA 57 HA ALA 57 5.839 1.157 4.356 382 HB1 ALA 57 HB1 ALA 57 5.612 3.956 5.376 383 HB2 ALA 57 HB2 ALA 57 7.010 3.280 4.554 384 HB3 ALA 57 HB3 ALA 57 5.508 3.478 3.694 385 H ALA 58 H ALA 58 4.729 1.904 7.517 386 HA ALA 58 HA ALA 58 7.264 1.471 8.842 387 HB1 ALA 58 HB1 ALA 58 5.913 1.813 10.850 388 HB2 ALA 58 HB2 ALA 58 5.658 3.080 9.688 389 HB3 ALA 58 HB3 ALA 58 4.457 1.848 9.945 390 H ILE 59 H ILE 59 4.270 -0.196 8.221 391 HA ILE 59 HA ILE 59 4.863 -2.658 9.591 392 HB ILE 59 HB ILE 59 2.893 -2.011 7.418 393 HG12 ILE 59 HG12 ILE 59 2.242 -2.522 10.307 394 HG13 ILE 59 HG13 ILE 59 2.661 -0.910 9.776 395 HG21 ILE 59 HG21 ILE 59 3.140 -4.497 9.091 396 HG22 ILE 59 HG22 ILE 59 1.764 -4.071 8.153 397 HG23 ILE 59 HG23 ILE 59 3.304 -4.351 7.374 398 HD11 ILE 59 HD11 ILE 59 0.325 -1.009 9.728 399 HD12 ILE 59 HD12 ILE 59 0.847 -1.051 8.087 400 HD13 ILE 59 HD13 ILE 59 0.326 -2.467 8.888 401 H ILE 60 H ILE 60 5.166 -1.685 6.138 402 HA ILE 60 HA ILE 60 6.578 -3.832 5.254 403 HB ILE 60 HB ILE 60 6.696 -0.940 4.477 404 HG12 ILE 60 HG12 ILE 60 5.537 -3.505 3.311 405 HG13 ILE 60 HG13 ILE 60 4.593 -2.328 4.134 406 HG21 ILE 60 HG21 ILE 60 7.799 -1.633 2.360 407 HG22 ILE 60 HG22 ILE 60 8.824 -1.958 3.749 408 HG23 ILE 60 HG23 ILE 60 7.952 -3.229 2.986 409 HD11 ILE 60 HD11 ILE 60 5.264 -0.714 2.207 410 HD12 ILE 60 HD12 ILE 60 5.864 -2.174 1.439 411 HD13 ILE 60 HD13 ILE 60 4.193 -2.073 1.821 412 H LYS 61 H LYS 61 8.007 -1.034 6.786 413 HA LYS 61 HA LYS 61 10.671 -1.848 6.709 414 HB2 LYS 61 HB2 LYS 61 10.140 0.381 7.147 415 HB3 LYS 61 HB3 LYS 61 9.091 -0.039 8.459 416 HG2 LYS 61 HG2 LYS 61 11.046 0.914 9.394 417 HG3 LYS 61 HG3 LYS 61 11.049 -0.761 9.763 418 HD2 LYS 61 HD2 LYS 61 13.169 -0.587 9.121 419 HD3 LYS 61 HD3 LYS 61 12.637 -0.696 7.672 420 HE2 LYS 61 HE2 LYS 61 12.508 1.237 7.117 421 HE3 LYS 61 HE3 LYS 61 12.950 1.393 8.580 422 HZ1 LYS 61 HZ1 LYS 61 14.639 0.268 6.944 423 HZ2 LYS 61 HZ2 LYS 61 14.926 0.580 8.012 424 HZ3 LYS 61 HZ3 LYS 61 14.771 1.355 7.207 425 H ALA 62 H ALA 62 8.074 -2.923 8.790 426 HA ALA 62 HA ALA 62 9.845 -4.449 10.503 427 HB1 ALA 62 HB1 ALA 62 6.853 -4.208 10.437 428 HB2 ALA 62 HB2 ALA 62 7.707 -4.981 11.631 429 HB3 ALA 62 HB3 ALA 62 7.928 -3.344 11.446 430 H GLY 63 H GLY 63 7.441 -5.161 7.871 431 HA2 GLY 63 HA2 GLY 63 7.626 -7.892 8.213 432 HA3 GLY 63 HA3 GLY 63 7.003 -7.039 6.812 433 H GLY 64 H GLY 64 9.141 -5.769 5.851 434 HA2 GLY 64 HA2 GLY 64 11.106 -6.096 4.661 435 HA3 GLY 64 HA3 GLY 64 11.179 -7.755 5.201 436 H PHE 65 H PHE 65 8.616 -6.155 3.493 437 HA PHE 65 HA PHE 65 7.800 -8.275 1.979 438 HB2 PHE 65 HB2 PHE 65 7.348 -5.369 1.621 439 HB3 PHE 65 HB3 PHE 65 6.554 -6.638 0.685 440 HD1 PHE 65 HD1 PHE 65 7.014 -5.505 4.229 441 HD2 PHE 65 HD2 PHE 65 4.582 -7.701 1.486 442 HE1 PHE 65 HE1 PHE 65 5.056 -5.159 5.670 443 HE2 PHE 65 HE2 PHE 65 2.721 -7.551 2.973 444 HZ PHE 65 HZ PHE 65 2.915 -6.255 5.083 445 H ALA 68 H ALA 68 6.956 -11.961 3.185 446 HA ALA 68 HA ALA 68 4.676 -10.364 3.482 447 HB1 ALA 68 HB1 ALA 68 3.642 -12.002 2.040 448 HB2 ALA 68 HB2 ALA 68 5.190 -11.533 1.433 449 HB3 ALA 68 HB3 ALA 68 4.938 -13.079 2.239 450 H LYS 69 H LYS 69 5.852 -12.400 5.708 451 HA LYS 69 HA LYS 69 3.649 -13.530 6.910 452 HB2 LYS 69 1HB LYS 69 6.031 -12.128 8.112 453 HB3 LYS 69 2HB LYS 69 4.800 -12.919 9.049 454 HG2 LYS 69 1HG LYS 69 5.265 -15.053 7.894 455 HG3 LYS 69 2HG LYS 69 6.534 -14.273 7.044 456 HD2 LYS 69 1HD LYS 69 7.727 -13.712 8.962 457 HD3 LYS 69 2HD LYS 69 6.553 -14.471 9.871 458 HE2 LYS 69 1HE LYS 69 7.114 -16.454 8.187 459 HE3 LYS 69 2HE LYS 69 8.372 -15.673 8.483 460 HZ1 LYS 69 1HZ LYS 69 7.611 -16.412 10.474 461 HZ2 LYS 69 2HZ LYS 69 8.112 -17.074 9.438 462 HZ3 LYS 69 3HZ LYS 69 8.535 -16.243 9.950 463 H ALA 70 H ALA 70 4.623 -10.219 6.806 464 HA ALA 70 HA ALA 70 2.554 -9.083 8.434 465 HB1 ALA 70 HB1 ALA 70 4.808 -8.216 8.236 466 HB2 ALA 70 HB2 ALA 70 4.577 -7.978 6.488 467 HB3 ALA 70 HB3 ALA 70 3.666 -7.032 7.637 468 H ALA 71 H ALA 71 2.202 -10.430 5.442 469 HA ALA 71 HA ALA 71 0.903 -8.244 4.133 470 HB1 ALA 71 HB1 ALA 71 1.216 -11.075 3.151 471 HB2 ALA 71 HB2 ALA 71 0.913 -9.631 2.192 472 HB3 ALA 71 HB3 ALA 71 2.429 -9.816 2.999 473 H ALA 72 H ALA 72 -0.432 -10.104 6.427 474 HA ALA 72 HA ALA 72 -3.055 -9.495 5.295 475 HB1 ALA 72 HB1 ALA 72 -3.984 -10.513 7.186 476 HB2 ALA 72 HB2 ALA 72 -2.790 -11.603 6.591 477 HB3 ALA 72 HB3 ALA 72 -2.432 -10.696 7.969 478 H ALA 73 H ALA 73 -0.967 -8.699 8.004 479 HA ALA 73 HA ALA 73 -2.616 -6.738 9.082 480 HB1 ALA 73 HB1 ALA 73 0.339 -6.911 9.357 481 HB2 ALA 73 HB2 ALA 73 -0.671 -6.161 10.370 482 HB3 ALA 73 HB3 ALA 73 -0.717 -7.772 10.269 483 H ALA 74 H ALA 74 -0.212 -6.364 6.516 484 HA ALA 74 HA ALA 74 -0.250 -3.484 6.689 485 HB1 ALA 74 HB1 ALA 74 0.989 -3.753 4.544 486 HB2 ALA 74 HB2 ALA 74 1.746 -4.574 5.806 487 HB3 ALA 74 HB3 ALA 74 0.819 -5.444 4.681 488 H ILE 75 H ILE 75 -1.781 -5.944 4.721 489 HA ILE 75 HA ILE 75 -2.930 -4.107 2.886 490 HB ILE 75 HB ILE 75 -3.792 -6.925 3.478 491 HG12 ILE 75 HG12 ILE 75 -1.359 -6.962 3.121 492 HG13 ILE 75 HG13 ILE 75 -2.263 -7.832 1.914 493 HG21 ILE 75 HG21 ILE 75 -4.069 -5.637 1.038 494 HG22 ILE 75 HG22 ILE 75 -4.680 -6.667 1.372 495 HG23 ILE 75 HG23 ILE 75 -5.036 -5.556 1.859 496 HD11 ILE 75 HD11 ILE 75 -1.265 -5.052 1.429 497 HD12 ILE 75 HD12 ILE 75 -0.335 -6.482 1.118 498 HD13 ILE 75 HD13 ILE 75 -1.837 -6.278 0.260 499 H LYS 76 H LYS 76 -4.044 -5.826 5.716 500 HA LYS 76 HA LYS 76 -6.749 -4.996 5.437 501 HB2 LYS 76 HB2 LYS 76 -5.152 -6.259 7.684 502 HB3 LYS 76 HB3 LYS 76 -6.848 -5.845 7.892 503 HG2 LYS 76 HG2 LYS 76 -7.437 -7.310 5.958 504 HG3 LYS 76 HG3 LYS 76 -5.743 -7.772 5.880 505 HD2 LYS 76 HD2 LYS 76 -5.769 -8.638 8.124 506 HD3 LYS 76 HD3 LYS 76 -7.394 -8.115 8.341 507 HE2 LYS 76 HE2 LYS 76 -7.890 -9.539 6.220 508 HE3 LYS 76 HE3 LYS 76 -6.533 -10.279 6.685 509 HZ1 LYS 76 HZ1 LYS 76 -7.328 -10.834 8.409 510 HZ2 LYS 76 HZ2 LYS 76 -8.402 -10.075 8.407 511 HZ3 LYS 76 HZ3 LYS 76 -8.148 -11.189 7.450 512 H ALA 77 H ALA 77 -4.060 -3.467 6.977 513 HA ALA 77 HA ALA 77 -5.602 -1.261 8.016 514 HB1 ALA 77 HB1 ALA 77 -3.330 -1.536 8.654 515 HB2 ALA 77 HB2 ALA 77 -2.792 -1.397 7.183 516 HB3 ALA 77 HB3 ALA 77 -3.416 -0.151 7.925 517 H ILE 78 H ILE 78 -3.689 -1.632 5.062 518 HA ILE 78 HA ILE 78 -4.556 0.973 4.307 519 HB ILE 78 HB ILE 78 -2.354 -0.412 3.866 520 HG12 ILE 78 HG12 ILE 78 -2.442 1.899 3.812 521 HG13 ILE 78 HG13 ILE 78 -1.420 1.177 2.610 522 HG21 ILE 78 HG21 ILE 78 -2.029 -1.081 1.615 523 HG22 ILE 78 HG22 ILE 78 -3.445 -1.873 2.208 524 HG23 ILE 78 HG23 ILE 78 -3.604 -0.531 1.151 525 HD11 ILE 78 HD11 ILE 78 -2.512 3.086 1.731 526 HD12 ILE 78 HD12 ILE 78 -3.138 1.689 0.891 527 HD13 ILE 78 HD13 ILE 78 -4.107 2.462 2.154 528 H ALA 79 H ALA 79 -5.644 -2.144 3.056 529 HA ALA 79 HA ALA 79 -7.176 -0.893 0.988 530 HB1 ALA 79 HB1 ALA 79 -6.523 -3.220 0.887 531 HB2 ALA 79 HB2 ALA 79 -7.579 -3.575 2.261 532 HB3 ALA 79 HB3 ALA 79 -8.212 -3.038 0.716 533 H ALA 80 H ALA 80 -7.788 -1.375 4.311 534 HA ALA 80 HA ALA 80 -10.664 -0.832 4.208 535 HB1 ALA 80 HB1 ALA 80 -9.796 -2.440 5.851 536 HB2 ALA 80 HB2 ALA 80 -8.895 -1.118 6.600 537 HB3 ALA 80 HB3 ALA 80 -10.599 -1.095 6.621 538 H ILE 81 H ILE 81 -7.727 0.801 4.864 539 HA ILE 81 HA ILE 81 -8.901 3.326 5.623 540 HB ILE 81 HB ILE 81 -6.104 2.496 4.801 541 HG12 ILE 81 HG12 ILE 81 -7.080 3.523 7.458 542 HG13 ILE 81 HG13 ILE 81 -7.177 1.815 7.087 543 HG21 ILE 81 HG21 ILE 81 -5.462 4.695 5.678 544 HG22 ILE 81 HG22 ILE 81 -6.312 4.759 4.163 545 HG23 ILE 81 HG23 ILE 81 -7.164 5.134 5.665 546 HD11 ILE 81 HD11 ILE 81 -5.160 2.037 8.263 547 HD12 ILE 81 HD12 ILE 81 -4.734 1.809 6.618 548 HD13 ILE 81 HD13 ILE 81 -4.654 3.424 7.350 549 H ILE 82 H ILE 82 -7.469 2.109 2.562 550 HA ILE 82 HA ILE 82 -8.159 4.213 0.966 551 HB ILE 82 HB ILE 82 -8.008 1.277 0.430 552 HG12 ILE 82 HG12 ILE 82 -6.350 3.704 -0.251 553 HG13 ILE 82 HG13 ILE 82 -5.998 2.609 1.019 554 HG21 ILE 82 HG21 ILE 82 -9.552 2.173 -1.315 555 HG22 ILE 82 HG22 ILE 82 -8.384 3.449 -1.657 556 HG23 ILE 82 HG23 ILE 82 -8.044 1.769 -1.991 557 HD11 ILE 82 HD11 ILE 82 -4.552 2.223 -0.942 558 HD12 ILE 82 HD12 ILE 82 -5.620 0.824 -0.720 559 HD13 ILE 82 HD13 ILE 82 -5.952 2.091 -1.944 560 H LYS 83 H LYS 83 -10.218 1.505 1.706 561 HA LYS 83 HA LYS 83 -12.600 2.209 0.423 562 HB2 LYS 83 HB2 LYS 83 -12.183 0.087 1.449 563 HB3 LYS 83 HB3 LYS 83 -11.984 0.860 3.015 564 HG2 LYS 83 HG2 LYS 83 -14.039 -0.213 3.110 565 HG3 LYS 83 HG3 LYS 83 -14.349 1.486 2.954 566 HD2 LYS 83 HD2 LYS 83 -15.939 0.462 1.542 567 HD3 LYS 83 HD3 LYS 83 -14.686 1.030 0.470 568 HE2 LYS 83 HE2 LYS 83 -13.658 -1.129 0.345 569 HE3 LYS 83 HE3 LYS 83 -14.790 -1.730 1.488 570 HZ1 LYS 83 HZ1 LYS 83 -16.467 -1.296 -0.062 571 HZ2 LYS 83 HZ2 LYS 83 -15.458 -0.879 -1.084 572 HZ3 LYS 83 HZ3 LYS 83 -15.515 -2.344 -0.611 573 H ALA 84 H ALA 84 -11.230 3.653 3.256 574 HA ALA 84 HA ALA 84 -13.555 5.374 3.642 575 HB1 ALA 84 HB1 ALA 84 -11.025 5.326 5.261 576 HB2 ALA 84 HB2 ALA 84 -12.492 6.056 5.655 577 HB3 ALA 84 HB3 ALA 84 -12.396 4.376 5.610 578 H GLY 85 H GLY 85 -10.147 5.761 2.702 579 HA2 GLY 85 HA2 GLY 85 -10.178 8.509 2.555 580 HA3 GLY 85 HA3 GLY 85 -9.019 7.503 1.814 581 H GLY 86 H GLY 86 -10.806 6.164 -0.067 582 HA2 GLY 86 HA2 GLY 86 -11.865 6.551 -2.019 583 HA3 GLY 86 HA3 GLY 86 -11.987 8.249 -1.644 584 H PHE 87 H PHE 87 -9.048 6.343 -1.797 585 HA PHE 87 HA PHE 87 -7.492 8.254 -3.104 586 HB2 PHE 87 HB2 PHE 87 -7.118 5.315 -2.706 587 HB3 PHE 87 HB3 PHE 87 -5.929 6.413 -3.380 588 HD1 PHE 87 HD1 PHE 87 -7.948 5.693 -0.368 589 HD2 PHE 87 HD2 PHE 87 -4.525 7.720 -1.884 590 HE1 PHE 87 HE1 PHE 87 -6.914 5.600 1.881 591 HE2 PHE 87 HE2 PHE 87 -3.588 7.787 0.294 592 HZ PHE 87 HZ PHE 87 -4.753 6.667 2.223 593 H1 ACE 1 H1 ACE 1 3.719 12.295 -1.428 594 H2 ACE 1 H2 ACE 1 3.753 12.140 -1.734 595 H3 ACE 1 H3 ACE 1 3.811 12.497 -1.661 596 HN1 NH2 22 HN1 NH2 22 -7.263 -9.040 2.455 597 HN2 NH2 22 HN2 NH2 22 -5.632 -9.469 2.218 598 H1 ACE 23 H1 ACE 23 -3.971 -14.177 -2.085 599 H2 ACE 23 H2 ACE 23 -3.800 -14.306 -2.145 600 H3 ACE 23 H3 ACE 23 -3.868 -14.345 -1.930 601 HN1 NH2 44 HN1 NH2 44 5.218 9.441 4.722 602 HN2 NH2 44 HN2 NH2 44 5.755 8.726 3.303 603 H1 ACE 45 H1 ACE 45 -8.966 10.958 -1.829 604 H2 ACE 45 H2 ACE 45 -9.051 11.339 -1.688 605 H3 ACE 45 H3 ACE 45 -8.687 11.255 -1.993 606 HN1 NH2 66 HN1 NH2 66 10.195 -6.215 -0.624 607 HN2 NH2 66 HN2 NH2 66 9.702 -5.532 0.824 608 H1 ACE 67 H1 ACE 67 8.940 -11.145 4.983 609 H2 ACE 67 H2 ACE 67 8.820 -11.074 4.934 610 H3 ACE 67 H3 ACE 67 8.852 -11.109 4.997 611 HN1 NH2 88 HN1 NH2 88 -8.455 5.600 -6.118 612 HN2 NH2 88 HN2 NH2 88 -8.702 5.188 -4.485 Start of MODEL 5 1 H1 ALA 2 H1 ALA 2 3.810 12.651 -2.449 2 HA ALA 2 HA ALA 2 2.045 11.398 -2.953 3 HB1 ALA 2 HB1 ALA 2 -0.031 12.046 -2.028 4 HB2 ALA 2 HB2 ALA 2 1.211 12.539 -0.955 5 HB3 ALA 2 HB3 ALA 2 0.459 13.713 -1.969 6 H LYS 3 H LYS 3 2.843 13.709 -4.991 7 HA LYS 3 HA LYS 3 0.643 13.757 -6.861 8 HB2 LYS 3 HB2 LYS 3 3.598 14.046 -7.300 9 HB3 LYS 3 HB3 LYS 3 2.338 14.367 -8.471 10 HG2 LYS 3 HG2 LYS 3 1.417 16.130 -7.029 11 HG3 LYS 3 HG3 LYS 3 2.705 15.843 -5.885 12 HD2 LYS 3 HD2 LYS 3 3.240 17.754 -7.205 13 HD3 LYS 3 HD3 LYS 3 4.370 16.462 -7.476 14 HE2 LYS 3 HE2 LYS 3 3.802 17.649 -9.558 15 HE3 LYS 3 HE3 LYS 3 3.302 15.996 -9.641 16 HZ1 LYS 3 HZ1 LYS 3 1.070 16.677 -9.238 17 HZ2 LYS 3 HZ2 LYS 3 1.547 18.201 -8.940 18 HZ3 LYS 3 HZ3 LYS 3 1.649 17.595 -10.394 19 H ALA 4 H ALA 4 3.065 11.404 -6.078 20 HA ALA 4 HA ALA 4 2.641 9.623 -8.264 21 HB1 ALA 4 HB1 ALA 4 3.724 9.322 -5.470 22 HB2 ALA 4 HB2 ALA 4 3.924 8.123 -6.746 23 HB3 ALA 4 HB3 ALA 4 4.631 9.674 -6.906 24 H ALA 5 H ALA 5 0.681 10.355 -5.510 25 HA ALA 5 HA ALA 5 0.271 7.685 -4.810 26 HB1 ALA 5 HB1 ALA 5 0.199 9.619 -3.270 27 HB2 ALA 5 HB2 ALA 5 -1.366 10.042 -3.918 28 HB3 ALA 5 HB3 ALA 5 -1.162 8.553 -3.058 29 H ALA 6 H ALA 6 -2.057 9.727 -6.489 30 HA ALA 6 HA ALA 6 -4.080 7.755 -6.524 31 HB1 ALA 6 HB1 ALA 6 -3.738 9.952 -8.456 32 HB2 ALA 6 HB2 ALA 6 -5.052 9.189 -8.156 33 HB3 ALA 6 HB3 ALA 6 -4.499 10.149 -7.104 34 H ALA 7 H ALA 7 -1.372 8.028 -8.583 35 HA ALA 7 HA ALA 7 -2.228 5.978 -10.400 36 HB1 ALA 7 HB1 ALA 7 0.412 7.361 -10.060 37 HB2 ALA 7 HB2 ALA 7 0.052 6.222 -11.330 38 HB3 ALA 7 HB3 ALA 7 -0.774 7.719 -11.218 39 H ALA 8 H ALA 8 -0.218 6.130 -7.454 40 HA ALA 8 HA ALA 8 1.004 3.570 -7.961 41 HB1 ALA 8 HB1 ALA 8 2.217 4.063 -5.961 42 HB2 ALA 8 HB2 ALA 8 2.091 5.512 -6.903 43 HB3 ALA 8 HB3 ALA 8 1.055 5.253 -5.500 44 H ILE 9 H ILE 9 -1.441 4.932 -5.877 45 HA ILE 9 HA ILE 9 -1.994 2.539 -4.424 46 HB ILE 9 HB ILE 9 -3.669 5.045 -4.747 47 HG12 ILE 9 HG12 ILE 9 -1.284 5.410 -3.922 48 HG13 ILE 9 HG13 ILE 9 -2.565 6.089 -2.963 49 HG21 ILE 9 HG21 ILE 9 -3.818 2.684 -2.943 50 HG22 ILE 9 HG22 ILE 9 -4.359 4.212 -2.326 51 HG23 ILE 9 HG23 ILE 9 -5.062 3.547 -3.787 52 HD11 ILE 9 HD11 ILE 9 -1.187 3.504 -2.302 53 HD12 ILE 9 HD12 ILE 9 -0.818 5.074 -1.615 54 HD13 ILE 9 HD13 ILE 9 -2.370 4.338 -1.330 55 H LYS 10 H LYS 10 -3.466 4.156 -7.234 56 HA LYS 10 HA LYS 10 -5.755 2.369 -7.226 57 HB2 LYS 10 HB2 LYS 10 -4.704 4.403 -9.232 58 HB3 LYS 10 HB3 LYS 10 -6.129 3.418 -9.514 59 HG2 LYS 10 HG2 LYS 10 -7.065 4.235 -7.335 60 HG3 LYS 10 HG3 LYS 10 -5.746 5.378 -7.260 61 HD2 LYS 10 HD2 LYS 10 -7.567 6.581 -8.085 62 HD3 LYS 10 HD3 LYS 10 -6.536 6.321 -9.434 63 HE2 LYS 10 HE2 LYS 10 -7.843 4.467 -10.220 64 HE3 LYS 10 HE3 LYS 10 -8.829 4.545 -8.809 65 HZ1 LYS 10 HZ1 LYS 10 -9.493 6.739 -9.471 66 HZ2 LYS 10 HZ2 LYS 10 -8.673 6.641 -10.764 67 HZ3 LYS 10 HZ3 LYS 10 -9.873 5.710 -10.525 68 H ALA 11 H ALA 11 -2.637 2.221 -8.763 69 HA ALA 11 HA ALA 11 -3.164 -0.258 -10.065 70 HB1 ALA 11 HB1 ALA 11 -0.779 -0.016 -10.086 71 HB2 ALA 11 HB2 ALA 11 -0.669 0.705 -9.263 72 HB3 ALA 11 HB3 ALA 11 -1.068 1.022 -10.219 73 H ILE 12 H ILE 12 -1.665 0.378 -6.902 74 HA ILE 12 HA ILE 12 -1.475 -2.395 -6.306 75 HB ILE 12 HB ILE 12 -0.276 -0.311 -5.333 76 HG12 ILE 12 HG12 ILE 12 0.603 -2.455 -5.257 77 HG13 ILE 12 HG13 ILE 12 0.817 -1.598 -3.751 78 HG21 ILE 12 HG21 ILE 12 -2.167 -0.972 -3.077 79 HG22 ILE 12 HG22 ILE 12 -0.786 0.127 -3.035 80 HG23 ILE 12 HG23 ILE 12 -2.180 0.482 -4.022 81 HD11 ILE 12 HD11 ILE 12 0.489 -3.864 -3.261 82 HD12 ILE 12 HD12 ILE 12 -0.869 -2.953 -2.676 83 HD13 ILE 12 HD13 ILE 12 -1.056 -3.875 -4.136 84 H ALA 13 H ALA 13 -4.050 -0.154 -5.354 85 HA ALA 13 HA ALA 13 -5.479 -2.088 -3.871 86 HB1 ALA 13 HB1 ALA 13 -5.874 0.340 -3.756 87 HB2 ALA 13 HB2 ALA 13 -6.504 0.321 -5.388 88 HB3 ALA 13 HB3 ALA 13 -7.351 -0.510 -4.102 89 H ALA 14 H ALA 14 -5.399 -1.555 -7.280 90 HA ALA 14 HA ALA 14 -7.629 -3.354 -7.864 91 HB1 ALA 14 HB1 ALA 14 -7.116 -1.472 -9.295 92 HB2 ALA 14 HB2 ALA 14 -5.537 -2.169 -9.688 93 HB3 ALA 14 HB3 ALA 14 -6.950 -2.986 -10.181 94 H ILE 15 H ILE 15 -4.168 -3.536 -7.806 95 HA ILE 15 HA ILE 15 -3.862 -6.236 -8.706 96 HB ILE 15 HB ILE 15 -2.093 -4.418 -7.127 97 HG12 ILE 15 1HG1 ILE 15 -1.714 -5.345 -9.967 98 HG13 ILE 15 2HG1 ILE 15 -2.676 -3.927 -9.617 99 HG21 ILE 15 1HG2 ILE 15 -0.878 -6.399 -7.087 100 HG22 ILE 15 2HG2 ILE 15 -1.382 -6.864 -7.516 101 HG23 ILE 15 3HG2 ILE 15 -0.830 -6.450 -7.906 102 HD11 ILE 15 1HD1 ILE 15 -0.770 -2.859 -8.535 103 HD12 ILE 15 2HD1 ILE 15 0.211 -4.192 -8.936 104 HD13 ILE 15 3HD1 ILE 15 -0.476 -3.221 -10.140 105 H ILE 16 H ILE 16 -4.090 -4.797 -5.441 106 HA ILE 16 HA ILE 16 -4.372 -7.119 -3.976 107 HB ILE 16 HB ILE 16 -5.580 -4.382 -3.671 108 HG12 ILE 16 HG12 ILE 16 -3.494 -5.888 -2.075 109 HG13 ILE 16 HG13 ILE 16 -3.091 -4.875 -3.434 110 HG21 ILE 16 HG21 ILE 16 -5.844 -6.678 -1.714 111 HG22 ILE 16 HG22 ILE 16 -6.126 -5.017 -1.308 112 HG23 ILE 16 HG23 ILE 16 -7.130 -5.798 -2.476 113 HD11 ILE 16 HD11 ILE 16 -4.402 -3.878 -0.928 114 HD12 ILE 16 HD12 ILE 16 -2.693 -3.856 -1.266 115 HD13 ILE 16 HD13 ILE 16 -3.784 -2.879 -2.252 116 H LYS 17 H LYS 17 -7.042 -5.451 -5.622 117 HA LYS 17 HA LYS 17 -9.042 -7.254 -4.811 118 HB2 LYS 17 HB2 LYS 17 -9.608 -5.126 -5.612 119 HB3 LYS 17 HB3 LYS 17 -8.733 -5.340 -7.105 120 HG2 LYS 17 HG2 LYS 17 -11.064 -5.433 -7.541 121 HG3 LYS 17 HG3 LYS 17 -10.302 -6.961 -7.877 122 HD2 LYS 17 HD2 LYS 17 -12.377 -7.449 -6.878 123 HD3 LYS 17 HD3 LYS 17 -11.196 -7.796 -5.683 124 HE2 LYS 17 HE2 LYS 17 -11.593 -5.553 -4.649 125 HE3 LYS 17 HE3 LYS 17 -12.801 -5.281 -5.894 126 HZ1 LYS 17 HZ1 LYS 17 -13.770 -6.116 -3.867 127 HZ2 LYS 17 HZ2 LYS 17 -14.023 -7.133 -5.038 128 HZ3 LYS 17 HZ3 LYS 17 -12.960 -7.433 -3.936 129 H ALA 18 H ALA 18 -6.637 -7.612 -7.296 130 HA ALA 18 HA ALA 18 -7.817 -10.092 -8.231 131 HB1 ALA 18 HB1 ALA 18 -6.622 -8.855 -9.833 132 HB2 ALA 18 HB2 ALA 18 -5.254 -8.688 -8.872 133 HB3 ALA 18 HB3 ALA 18 -5.637 -10.223 -9.514 134 H GLY 19 H GLY 19 -4.951 -9.179 -6.399 135 HA2 GLY 19 HA2 GLY 19 -3.988 -11.754 -6.186 136 HA3 GLY 19 HA3 GLY 19 -3.358 -10.343 -5.430 137 H GLY 20 H GLY 20 -6.003 -10.103 -3.861 138 HA2 GLY 20 HA2 GLY 20 -6.928 -10.830 -1.920 139 HA3 GLY 20 HA3 GLY 20 -6.337 -12.417 -2.271 140 H PHE 21 H PHE 21 -5.034 -9.241 -1.138 141 HA PHE 21 HA PHE 21 -2.607 -10.349 -0.253 142 HB2 PHE 21 HB2 PHE 21 -3.945 -7.729 -0.263 143 HB3 PHE 21 HB3 PHE 21 -2.517 -7.982 0.729 144 HD1 PHE 21 HD1 PHE 21 -3.715 -8.797 -2.779 145 HD2 PHE 21 HD2 PHE 21 -0.519 -7.260 -0.339 146 HE1 PHE 21 HE1 PHE 21 -2.545 -8.048 -4.766 147 HE2 PHE 21 HE2 PHE 21 0.694 -6.640 -2.359 148 HZ PHE 21 HZ PHE 21 -0.288 -7.261 -4.590 149 H ALA 24 H ALA 24 -2.514 -12.915 -2.149 150 HA ALA 24 HA ALA 24 -0.719 -11.628 -1.860 151 HB1 ALA 24 HB1 ALA 24 0.026 -13.545 0.299 152 HB2 ALA 24 HB2 ALA 24 0.573 -11.937 0.159 153 HB3 ALA 24 HB3 ALA 24 -1.056 -12.272 0.457 154 H LYS 25 H LYS 25 -0.469 -14.171 -3.640 155 HA LYS 25 HA LYS 25 2.387 -14.608 -3.996 156 HB2 LYS 25 1HB LYS 25 -0.047 -15.137 -5.676 157 HB3 LYS 25 2HB LYS 25 1.576 -15.565 -6.133 158 HG2 LYS 25 1HG LYS 25 1.785 -17.047 -4.194 159 HG3 LYS 25 2HG LYS 25 0.180 -16.611 -3.696 160 HD2 LYS 25 1HD LYS 25 0.009 -18.688 -4.751 161 HD3 LYS 25 2HD LYS 25 -0.705 -17.509 -5.726 162 HE2 LYS 25 1HE LYS 25 1.060 -17.447 -7.234 163 HE3 LYS 25 2HE LYS 25 1.925 -18.413 -6.173 164 HZ1 LYS 25 1HZ LYS 25 0.183 -19.929 -6.815 165 HZ2 LYS 25 2HZ LYS 25 0.129 -19.318 -7.527 166 HZ3 LYS 25 3HZ LYS 25 0.845 -19.914 -7.462 167 H ALA 26 H ALA 26 -0.018 -12.294 -5.018 168 HA ALA 26 HA ALA 26 1.536 -10.964 -7.009 169 HB1 ALA 26 HB1 ALA 26 -0.894 -10.205 -5.347 170 HB2 ALA 26 HB2 ALA 26 -0.340 -9.404 -6.822 171 HB3 ALA 26 HB3 ALA 26 -0.963 -11.043 -6.817 172 H ALA 27 H ALA 27 1.903 -11.021 -3.552 173 HA ALA 27 HA ALA 27 1.894 -8.264 -3.244 174 HB1 ALA 27 HB1 ALA 27 2.269 -8.736 -0.887 175 HB2 ALA 27 HB2 ALA 27 1.144 -9.864 -1.546 176 HB3 ALA 27 HB3 ALA 27 2.830 -10.317 -1.284 177 H ALA 28 H ALA 28 4.729 -10.417 -3.449 178 HA ALA 28 HA ALA 28 6.520 -8.314 -2.763 179 HB1 ALA 28 1HB ALA 28 7.779 -10.163 -3.338 180 HB2 ALA 28 2HB ALA 28 7.059 -10.684 -3.589 181 HB3 ALA 28 3HB ALA 28 7.562 -10.291 -4.201 182 H ALA 29 H ALA 29 5.377 -9.335 -5.933 183 HA ALA 29 HA ALA 29 6.750 -7.376 -7.443 184 HB1 ALA 29 HB1 ALA 29 5.184 -8.087 -9.177 185 HB2 ALA 29 HB2 ALA 29 5.801 -9.458 -8.304 186 HB3 ALA 29 HB3 ALA 29 4.178 -8.843 -8.024 187 H ALA 30 H ALA 30 3.825 -7.005 -5.523 188 HA ALA 30 HA ALA 30 2.938 -4.623 -6.962 189 HB1 ALA 30 HB1 ALA 30 1.371 -6.371 -6.196 190 HB2 ALA 30 HB2 ALA 30 1.773 -5.970 -4.568 191 HB3 ALA 30 HB3 ALA 30 1.045 -4.750 -5.563 192 H ILE 31 H ILE 31 4.086 -5.614 -3.742 193 HA ILE 31 HA ILE 31 3.940 -3.004 -2.642 194 HB ILE 31 HB ILE 31 5.399 -5.464 -1.758 195 HG12 ILE 31 HG12 ILE 31 2.906 -5.661 -2.164 196 HG13 ILE 31 HG13 ILE 31 3.500 -6.222 -0.613 197 HG21 ILE 31 HG21 ILE 31 4.866 -2.857 -0.418 198 HG22 ILE 31 HG22 ILE 31 4.887 -4.256 0.583 199 HG23 ILE 31 HG23 ILE 31 6.329 -3.899 -0.374 200 HD11 ILE 31 HD11 ILE 31 1.395 -4.887 -0.480 201 HD12 ILE 31 HD12 ILE 31 2.692 -4.409 0.564 202 HD13 ILE 31 HD13 ILE 31 2.296 -3.490 -0.953 203 H LYS 32 H LYS 32 6.532 -4.951 -4.088 204 HA LYS 32 HA LYS 32 8.637 -3.236 -3.164 205 HB2 LYS 32 1HB LYS 32 8.525 -5.365 -5.298 206 HB3 LYS 32 2HB LYS 32 9.956 -4.414 -4.962 207 HG2 LYS 32 1HG LYS 32 9.901 -5.175 -2.597 208 HG3 LYS 32 2HG LYS 32 8.524 -6.173 -2.924 209 HD2 LYS 32 1HD LYS 32 9.579 -7.646 -4.152 210 HD3 LYS 32 2HD LYS 32 10.679 -6.727 -4.346 211 HE2 LYS 32 1HE LYS 32 11.710 -6.663 -2.832 212 HE3 LYS 32 2HE LYS 32 10.624 -7.585 -2.751 213 HZ1 LYS 32 1HZ LYS 32 12.064 -8.728 -4.000 214 HZ2 LYS 32 2HZ LYS 32 12.414 -8.369 -3.387 215 HZ3 LYS 32 3HZ LYS 32 12.049 -9.094 -3.343 216 H ALA 33 H ALA 33 6.545 -3.114 -5.978 217 HA ALA 33 HA ALA 33 7.890 -0.786 -7.122 218 HB1 ALA 33 HB1 ALA 33 5.811 -0.663 -8.399 219 HB2 ALA 33 HB2 ALA 33 6.419 -2.228 -8.483 220 HB3 ALA 33 HB3 ALA 33 5.107 -1.920 -7.449 221 H ILE 34 H ILE 34 5.033 -1.202 -4.977 222 HA ILE 34 HA ILE 34 4.655 1.629 -4.974 223 HB ILE 34 HB ILE 34 3.057 -0.396 -4.456 224 HG12 ILE 34 HG12 ILE 34 2.333 1.641 -5.206 225 HG13 ILE 34 HG13 ILE 34 1.321 0.952 -3.974 226 HG21 ILE 34 HG21 ILE 34 4.013 -0.867 -2.254 227 HG22 ILE 34 HG22 ILE 34 3.501 0.739 -1.711 228 HG23 ILE 34 HG23 ILE 34 2.306 -0.439 -2.177 229 HD11 ILE 34 HD11 ILE 34 3.151 3.314 -3.676 230 HD12 ILE 34 HD12 ILE 34 1.442 3.289 -3.671 231 HD13 ILE 34 HD13 ILE 34 2.249 2.540 -2.346 232 H ALA 35 H ALA 35 6.301 -0.408 -2.614 233 HA ALA 35 HA ALA 35 6.852 1.762 -0.868 234 HB1 ALA 35 HB1 ALA 35 8.419 -0.774 -1.213 235 HB2 ALA 35 HB2 ALA 35 8.462 0.310 0.159 236 HB3 ALA 35 HB3 ALA 35 7.022 -0.574 -0.227 237 H ALA 36 H ALA 36 8.358 0.873 -3.817 238 HA ALA 36 HA ALA 36 10.786 2.505 -3.447 239 HB1 ALA 36 HB1 ALA 36 10.939 0.511 -4.806 240 HB2 ALA 36 HB2 ALA 36 9.780 1.149 -5.923 241 HB3 ALA 36 HB3 ALA 36 11.316 1.897 -5.711 242 H ILE 37 H ILE 37 7.665 2.657 -5.026 243 HA ILE 37 HA ILE 37 7.932 5.228 -6.260 244 HB ILE 37 HB ILE 37 5.548 3.566 -5.475 245 HG12 ILE 37 HG12 ILE 37 6.491 4.185 -8.270 246 HG13 ILE 37 HG13 ILE 37 7.200 2.862 -7.392 247 HG21 ILE 37 HG21 ILE 37 5.626 6.150 -6.969 248 HG22 ILE 37 HG22 ILE 37 4.309 5.145 -7.016 249 HG23 ILE 37 HG23 ILE 37 4.798 5.764 -5.565 250 HD11 ILE 37 HD11 ILE 37 5.351 1.888 -8.251 251 HD12 ILE 37 HD12 ILE 37 4.725 2.732 -8.475 252 HD13 ILE 37 HD13 ILE 37 4.671 2.277 -7.506 253 H ILE 38 H ILE 38 6.390 4.239 -3.197 254 HA ILE 38 HA ILE 38 5.968 6.703 -1.993 255 HB ILE 38 HB ILE 38 6.795 4.067 -0.882 256 HG12 ILE 38 HG12 ILE 38 4.220 5.705 -0.880 257 HG13 ILE 38 HG13 ILE 38 4.529 4.448 -2.057 258 HG21 ILE 38 HG21 ILE 38 7.454 5.694 0.798 259 HG22 ILE 38 HG22 ILE 38 5.874 6.474 0.680 260 HG23 ILE 38 HG23 ILE 38 6.070 4.881 1.325 261 HD11 ILE 38 HD11 ILE 38 2.984 3.736 -0.364 262 HD12 ILE 38 HD12 ILE 38 4.419 2.752 -0.382 263 HD13 ILE 38 HD13 ILE 38 4.180 3.931 0.849 264 H LYS 39 H LYS 39 9.049 4.878 -1.856 265 HA LYS 39 HA LYS 39 10.444 6.756 -0.357 266 HB2 LYS 39 HB2 LYS 39 11.118 4.529 -0.496 267 HB3 LYS 39 HB3 LYS 39 11.268 4.641 -2.243 268 HG2 LYS 39 HG2 LYS 39 13.440 4.565 -1.283 269 HG3 LYS 39 HG3 LYS 39 13.147 6.093 -2.050 270 HD2 LYS 39 HD2 LYS 39 14.364 6.477 -0.038 271 HD3 LYS 39 HD3 LYS 39 12.765 7.107 0.194 272 HE2 LYS 39 HE2 LYS 39 12.975 6.044 2.115 273 HE3 LYS 39 HE3 LYS 39 12.339 4.849 1.236 274 HZ1 LYS 39 HZ1 LYS 39 14.177 3.884 1.058 275 HZ2 LYS 39 HZ2 LYS 39 13.984 4.023 2.460 276 HZ3 LYS 39 HZ3 LYS 39 14.777 4.895 1.661 277 H ALA 40 H ALA 40 9.700 6.829 -3.678 278 HA ALA 40 HA ALA 40 11.363 9.174 -4.234 279 HB1 ALA 40 HB1 ALA 40 11.153 7.495 -5.925 280 HB2 ALA 40 HB2 ALA 40 9.441 7.620 -5.888 281 HB3 ALA 40 HB3 ALA 40 10.417 8.938 -6.469 282 H GLY 41 H GLY 41 7.896 8.434 -3.984 283 HA2 GLY 41 HA2 GLY 41 7.065 10.996 -4.718 284 HA3 GLY 41 HA3 GLY 41 6.084 9.645 -4.384 285 H GLY 42 H GLY 42 7.560 9.701 -1.558 286 HA2 GLY 42 HA2 GLY 42 7.343 10.723 0.465 287 HA3 GLY 42 HA3 GLY 42 7.078 12.208 -0.401 288 H PHE 43 H PHE 43 5.171 9.222 0.279 289 HA PHE 43 HA PHE 43 2.720 10.377 -0.320 290 HB2 PHE 43 HB2 PHE 43 3.739 7.850 0.821 291 HB3 PHE 43 HB3 PHE 43 2.019 8.234 0.846 292 HD1 PHE 43 HD1 PHE 43 4.923 8.523 -1.602 293 HD2 PHE 43 HD2 PHE 43 0.818 7.252 -1.029 294 HE1 PHE 43 HE1 PHE 43 4.906 7.501 -3.808 295 HE2 PHE 43 HE2 PHE 43 0.838 6.317 -3.244 296 HZ PHE 43 HZ PHE 43 2.816 6.581 -4.675 297 H ALA 46 H ALA 46 -9.166 12.222 1.284 298 HA ALA 46 HA ALA 46 -6.991 10.444 1.240 299 HB1 ALA 46 HB1 ALA 46 -6.083 12.035 -0.348 300 HB2 ALA 46 HB2 ALA 46 -7.742 11.660 -0.690 301 HB3 ALA 46 HB3 ALA 46 -7.338 13.160 0.061 302 H LYS 47 H LYS 47 -7.754 12.485 3.563 303 HA LYS 47 HA LYS 47 -5.211 13.387 4.553 304 HB2 LYS 47 HB2 LYS 47 -7.712 12.570 5.978 305 HB3 LYS 47 HB3 LYS 47 -6.309 13.294 6.695 306 HG2 LYS 47 HG2 LYS 47 -6.528 15.212 5.192 307 HG3 LYS 47 HG3 LYS 47 -8.019 14.533 4.743 308 HD2 LYS 47 HD2 LYS 47 -8.111 14.523 7.465 309 HD3 LYS 47 HD3 LYS 47 -7.691 15.870 6.993 310 HE2 LYS 47 HE2 LYS 47 -8.948 16.498 5.788 311 HE3 LYS 47 HE3 LYS 47 -9.424 15.088 6.113 312 HZ1 LYS 47 HZ1 LYS 47 -9.318 16.836 8.067 313 HZ2 LYS 47 HZ2 LYS 47 -10.326 16.557 7.531 314 HZ3 LYS 47 HZ3 LYS 47 -9.830 15.803 8.210 315 H ALA 48 H ALA 48 -6.794 10.302 4.634 316 HA ALA 48 HA ALA 48 -4.985 8.877 6.249 317 HB1 ALA 48 HB1 ALA 48 -6.813 7.955 4.048 318 HB2 ALA 48 HB2 ALA 48 -6.084 6.985 5.284 319 HB3 ALA 48 HB3 ALA 48 -7.249 8.162 5.682 320 H ALA 49 H ALA 49 -4.704 10.046 2.965 321 HA ALA 49 HA ALA 49 -2.877 7.984 2.141 322 HB1 ALA 49 HB1 ALA 49 -4.559 8.967 0.722 323 HB2 ALA 49 HB2 ALA 49 -3.659 10.486 0.715 324 HB3 ALA 49 HB3 ALA 49 -2.940 9.018 0.073 325 H ALA 50 H ALA 50 -2.332 10.461 4.143 326 HA ALA 50 HA ALA 50 0.543 9.952 3.814 327 HB1 ALA 50 HB1 ALA 50 0.874 11.692 5.476 328 HB2 ALA 50 HB2 ALA 50 0.086 12.319 4.087 329 HB3 ALA 50 HB3 ALA 50 -0.833 11.997 5.494 330 H ALA 51 H ALA 51 -1.949 10.080 6.302 331 HA ALA 51 HA ALA 51 -0.423 8.930 8.269 332 HB1 ALA 51 1HB ALA 51 -2.476 9.185 9.199 333 HB2 ALA 51 2HB ALA 51 -2.799 9.636 8.392 334 HB3 ALA 51 3HB ALA 51 -3.126 8.737 8.613 335 H ALA 52 H ALA 52 -2.387 7.174 5.960 336 HA ALA 52 HA ALA 52 -2.255 4.666 7.326 337 HB1 ALA 52 HB1 ALA 52 -4.161 5.428 5.797 338 HB2 ALA 52 HB2 ALA 52 -3.104 5.067 4.480 339 HB3 ALA 52 HB3 ALA 52 -3.539 3.811 5.573 340 H ILE 53 H ILE 53 -0.761 6.263 4.569 341 HA ILE 53 HA ILE 53 0.909 4.104 3.697 342 HB ILE 53 HB ILE 53 1.435 7.036 3.505 343 HG12 ILE 53 HG12 ILE 53 -0.805 6.406 2.581 344 HG13 ILE 53 HG13 ILE 53 0.293 7.149 1.417 345 HG21 ILE 53 HG21 ILE 53 3.390 5.998 2.879 346 HG22 ILE 53 HG22 ILE 53 2.522 4.574 2.238 347 HG23 ILE 53 HG23 ILE 53 2.626 5.999 1.293 348 HD11 ILE 53 HD11 ILE 53 0.767 5.191 0.341 349 HD12 ILE 53 HD12 ILE 53 -0.083 4.215 1.530 350 HD13 ILE 53 HD13 ILE 53 -0.970 5.295 0.490 351 H LYS 54 H LYS 54 1.460 6.768 5.950 352 HA LYS 54 HA LYS 54 4.179 6.180 6.442 353 HB2 LYS 54 HB2 LYS 54 2.115 7.815 7.925 354 HB3 LYS 54 HB3 LYS 54 3.781 7.685 8.440 355 HG2 LYS 54 HG2 LYS 54 4.599 8.657 6.415 356 HG3 LYS 54 HG3 LYS 54 3.047 8.588 5.638 357 HD2 LYS 54 HD2 LYS 54 3.349 10.834 6.235 358 HD3 LYS 54 HD3 LYS 54 2.178 10.198 7.332 359 HE2 LYS 54 HE2 LYS 54 3.883 9.917 9.078 360 HE3 LYS 54 HE3 LYS 54 5.078 10.405 7.936 361 HZ1 LYS 54 HZ1 LYS 54 4.185 12.212 9.246 362 HZ2 LYS 54 HZ2 LYS 54 4.196 12.415 8.056 363 HZ3 LYS 54 HZ3 LYS 54 3.179 12.115 8.591 364 H ALA 55 H ALA 55 1.349 4.871 8.014 365 HA ALA 55 HA ALA 55 2.821 3.291 9.977 366 HB1 ALA 55 HB1 ALA 55 0.681 2.180 10.191 367 HB2 ALA 55 HB2 ALA 55 0.550 3.891 10.360 368 HB3 ALA 55 HB3 ALA 55 0.063 3.068 8.883 369 H ILE 56 H ILE 56 1.281 2.610 6.784 370 HA ILE 56 HA ILE 56 2.139 -0.082 6.924 371 HB ILE 56 HB ILE 56 0.611 1.536 5.002 372 HG12 ILE 56 HG12 ILE 56 -0.907 -0.338 5.132 373 HG13 ILE 56 HG13 ILE 56 0.172 -1.167 6.189 374 HG21 ILE 56 HG21 ILE 56 2.131 0.354 3.477 375 HG22 ILE 56 HG22 ILE 56 1.723 -1.167 4.282 376 HG23 ILE 56 HG23 ILE 56 0.522 -0.245 3.367 377 HD11 ILE 56 HD11 ILE 56 -1.226 1.394 6.850 378 HD12 ILE 56 HD12 ILE 56 -1.679 -0.205 7.354 379 HD13 ILE 56 HD13 ILE 56 -0.205 0.464 7.938 380 H ALA 57 H ALA 57 3.702 2.641 5.272 381 HA ALA 57 HA ALA 57 5.635 0.987 4.063 382 HB1 ALA 57 HB1 ALA 57 5.161 3.351 3.437 383 HB2 ALA 57 HB2 ALA 57 5.917 3.840 4.960 384 HB3 ALA 57 HB3 ALA 57 6.879 2.996 3.739 385 H ALA 58 H ALA 58 5.396 2.087 7.312 386 HA ALA 58 HA ALA 58 8.149 1.433 8.041 387 HB1 ALA 58 HB1 ALA 58 7.451 2.181 10.150 388 HB2 ALA 58 HB2 ALA 58 6.965 3.199 9.150 389 HB3 ALA 58 HB3 ALA 58 5.947 2.219 9.784 390 H ILE 59 H ILE 59 4.975 0.076 8.322 391 HA ILE 59 HA ILE 59 5.629 -2.365 9.653 392 HB ILE 59 HB ILE 59 3.413 -1.434 7.900 393 HG12 ILE 59 HG12 ILE 59 3.254 -2.199 10.802 394 HG13 ILE 59 HG13 ILE 59 3.808 -0.620 10.294 395 HG21 ILE 59 HG21 ILE 59 2.116 -3.446 8.616 396 HG22 ILE 59 HG22 ILE 59 3.395 -3.803 7.532 397 HG23 ILE 59 HG23 ILE 59 3.567 -4.131 9.237 398 HD11 ILE 59 HD11 ILE 59 1.450 -0.645 10.645 399 HD12 ILE 59 HD12 ILE 59 1.577 -0.378 9.407 400 HD13 ILE 59 HD13 ILE 59 1.185 -1.542 9.770 401 H ILE 60 H ILE 60 5.271 -1.686 6.120 402 HA ILE 60 HA ILE 60 6.428 -3.953 5.107 403 HB ILE 60 HB ILE 60 6.502 -1.090 4.267 404 HG12 ILE 60 HG12 ILE 60 5.110 -3.596 3.214 405 HG13 ILE 60 HG13 ILE 60 4.355 -2.447 4.312 406 HG21 ILE 60 HG21 ILE 60 7.258 -1.851 2.013 407 HG22 ILE 60 HG22 ILE 60 8.446 -2.214 3.211 408 HG23 ILE 60 HG23 ILE 60 7.399 -3.475 2.648 409 HD11 ILE 60 HD11 ILE 60 3.515 -2.152 2.104 410 HD12 ILE 60 HD12 ILE 60 4.395 -0.726 2.653 411 HD13 ILE 60 HD13 ILE 60 5.120 -1.877 1.505 412 H LYS 61 H LYS 61 8.260 -1.165 6.230 413 HA LYS 61 HA LYS 61 10.808 -2.113 5.573 414 HB2 LYS 61 HB2 LYS 61 10.358 0.172 6.074 415 HB3 LYS 61 HB3 LYS 61 9.752 -0.241 7.650 416 HG2 LYS 61 HG2 LYS 61 11.895 0.792 7.880 417 HG3 LYS 61 HG3 LYS 61 11.965 -0.878 8.371 418 HD2 LYS 61 HD2 LYS 61 13.949 -0.476 7.147 419 HD3 LYS 61 HD3 LYS 61 12.929 -1.399 6.105 420 HE2 LYS 61 HE2 LYS 61 12.352 0.452 4.779 421 HE3 LYS 61 HE3 LYS 61 12.946 1.535 5.931 422 HZ1 LYS 61 HZ1 LYS 61 14.712 -0.077 4.635 423 HZ2 LYS 61 HZ2 LYS 61 14.963 0.886 5.313 424 HZ3 LYS 61 HZ3 LYS 61 14.423 1.054 4.233 425 H ALA 62 H ALA 62 8.833 -2.897 8.317 426 HA ALA 62 HA ALA 62 10.858 -4.626 9.536 427 HB1 ALA 62 HB1 ALA 62 9.360 -3.300 10.918 428 HB2 ALA 62 HB2 ALA 62 8.010 -4.148 10.311 429 HB3 ALA 62 HB3 ALA 62 9.223 -4.997 11.222 430 H GLY 63 H GLY 63 7.837 -5.000 7.768 431 HA2 GLY 63 HA2 GLY 63 7.784 -7.753 8.176 432 HA3 GLY 63 HA3 GLY 63 6.605 -6.774 7.342 433 H GLY 64 H GLY 64 9.168 -6.100 5.518 434 HA2 GLY 64 HA2 GLY 64 10.248 -6.996 3.735 435 HA3 GLY 64 HA3 GLY 64 10.083 -8.532 4.565 436 H PHE 65 H PHE 65 7.770 -6.399 2.867 437 HA PHE 65 HA PHE 65 6.002 -8.437 2.256 438 HB2 PHE 65 HB2 PHE 65 6.338 -5.568 1.701 439 HB3 PHE 65 HB3 PHE 65 5.098 -6.484 0.871 440 HD1 PHE 65 HD1 PHE 65 6.431 -6.020 4.344 441 HD2 PHE 65 HD2 PHE 65 2.941 -6.408 1.886 442 HE1 PHE 65 HE1 PHE 65 5.017 -5.287 6.227 443 HE2 PHE 65 HE2 PHE 65 1.550 -5.719 3.763 444 HZ PHE 65 HZ PHE 65 2.632 -5.307 5.998 445 H ALA 68 H ALA 68 6.760 -10.232 4.758 446 HA ALA 68 HA ALA 68 4.660 -9.757 4.244 447 HB1 ALA 68 HB1 ALA 68 4.658 -12.309 2.677 448 HB2 ALA 68 HB2 ALA 68 3.629 -10.919 2.436 449 HB3 ALA 68 HB3 ALA 68 5.329 -10.835 2.094 450 H LYS 69 H LYS 69 5.213 -11.843 6.500 451 HA LYS 69 HA LYS 69 2.669 -13.023 7.100 452 HB2 LYS 69 1HB LYS 69 5.019 -12.284 8.814 453 HB3 LYS 69 2HB LYS 69 3.654 -13.218 9.309 454 HG2 LYS 69 1HG LYS 69 5.712 -14.047 7.367 455 HG3 LYS 69 2HG LYS 69 5.499 -14.599 8.977 456 HD2 LYS 69 1HD LYS 69 4.482 -16.244 8.186 457 HD3 LYS 69 2HD LYS 69 3.554 -15.294 7.793 458 HE2 LYS 69 1HE LYS 69 3.744 -14.790 6.166 459 HE3 LYS 69 2HE LYS 69 4.627 -15.755 6.651 460 HZ1 LYS 69 1HZ LYS 69 3.112 -16.744 6.232 461 HZ2 LYS 69 2HZ LYS 69 3.012 -16.986 6.067 462 HZ3 LYS 69 3HZ LYS 69 3.132 -16.967 6.307 463 H ALA 70 H ALA 70 4.130 -9.947 7.508 464 HA ALA 70 HA ALA 70 2.249 -8.795 9.294 465 HB1 ALA 70 HB1 ALA 70 4.566 -8.035 8.868 466 HB2 ALA 70 HB2 ALA 70 4.120 -7.671 7.207 467 HB3 ALA 70 HB3 ALA 70 3.446 -6.754 8.542 468 H ALA 71 H ALA 71 1.941 -9.704 5.999 469 HA ALA 71 HA ALA 71 0.907 -7.243 5.055 470 HB1 ALA 71 HB1 ALA 71 0.938 -9.867 3.598 471 HB2 ALA 71 HB2 ALA 71 0.906 -8.248 2.923 472 HB3 ALA 71 HB3 ALA 71 2.343 -8.816 3.781 473 H ALA 72 H ALA 72 -0.862 -10.224 5.831 474 HA ALA 72 HA ALA 72 -3.287 -9.270 4.765 475 HB1 ALA 72 HB1 ALA 72 -2.968 -11.185 7.022 476 HB2 ALA 72 HB2 ALA 72 -4.350 -10.964 6.071 477 HB3 ALA 72 HB3 ALA 72 -2.947 -11.605 5.361 478 H ALA 73 H ALA 73 -2.042 -8.893 8.019 479 HA ALA 73 HA ALA 73 -4.192 -7.264 8.955 480 HB1 ALA 73 HB1 ALA 73 -2.631 -6.766 10.763 481 HB2 ALA 73 HB2 ALA 73 -2.751 -8.435 10.485 482 HB3 ALA 73 HB3 ALA 73 -1.368 -7.567 9.932 483 H ALA 74 H ALA 74 -1.346 -6.450 7.106 484 HA ALA 74 HA ALA 74 -1.457 -3.626 7.713 485 HB1 ALA 74 HB1 ALA 74 0.497 -3.867 6.373 486 HB2 ALA 74 HB2 ALA 74 0.181 -4.690 5.832 487 HB3 ALA 74 HB3 ALA 74 0.530 -4.855 6.815 488 H ILE 75 H ILE 75 -2.227 -5.699 5.025 489 HA ILE 75 HA ILE 75 -2.908 -3.567 3.226 490 HB ILE 75 HB ILE 75 -3.301 -6.514 2.958 491 HG12 ILE 75 HG12 ILE 75 -0.874 -5.666 3.361 492 HG13 ILE 75 HG13 ILE 75 -1.201 -6.799 2.082 493 HG21 ILE 75 HG21 ILE 75 -3.613 -4.284 1.046 494 HG22 ILE 75 HG22 ILE 75 -3.111 -5.864 0.461 495 HG23 ILE 75 HG23 ILE 75 -4.600 -5.672 1.390 496 HD11 ILE 75 HD11 ILE 75 0.314 -4.896 1.532 497 HD12 ILE 75 HD12 ILE 75 -0.996 -5.123 0.415 498 HD13 ILE 75 HD13 ILE 75 -1.077 -3.847 1.622 499 H LYS 76 H LYS 76 -4.676 -5.847 5.222 500 HA LYS 76 HA LYS 76 -7.275 -5.230 4.077 501 HB2 LYS 76 HB2 LYS 76 -6.384 -6.676 6.599 502 HB3 LYS 76 HB3 LYS 76 -8.051 -6.496 6.174 503 HG2 LYS 76 HG2 LYS 76 -7.673 -7.774 4.090 504 HG3 LYS 76 HG3 LYS 76 -5.965 -7.881 4.428 505 HD2 LYS 76 HD2 LYS 76 -7.011 -9.955 4.982 506 HD3 LYS 76 HD3 LYS 76 -6.395 -9.212 6.415 507 HE2 LYS 76 HE2 LYS 76 -8.633 -8.447 7.047 508 HE3 LYS 76 HE3 LYS 76 -9.221 -9.089 5.555 509 HZ1 LYS 76 HZ1 LYS 76 -9.577 -10.623 7.270 510 HZ2 LYS 76 HZ2 LYS 76 -8.488 -11.213 6.308 511 HZ3 LYS 76 HZ3 LYS 76 -8.095 -10.635 7.653 512 H ALA 77 H ALA 77 -5.335 -3.833 6.599 513 HA ALA 77 HA ALA 77 -7.429 -2.019 7.387 514 HB1 ALA 77 HB1 ALA 77 -5.482 -2.332 8.807 515 HB2 ALA 77 HB2 ALA 77 -4.428 -1.758 7.615 516 HB3 ALA 77 HB3 ALA 77 -5.560 -0.731 8.332 517 H ILE 78 H ILE 78 -4.589 -1.727 5.208 518 HA ILE 78 HA ILE 78 -5.278 0.919 4.555 519 HB ILE 78 HB ILE 78 -3.059 -0.537 4.415 520 HG12 ILE 78 HG12 ILE 78 -3.128 1.806 4.693 521 HG13 ILE 78 HG13 ILE 78 -1.892 1.290 3.597 522 HG21 ILE 78 HG21 ILE 78 -2.181 -0.763 2.197 523 HG22 ILE 78 HG22 ILE 78 -3.670 -1.681 2.386 524 HG23 ILE 78 HG23 ILE 78 -3.684 -0.157 1.552 525 HD11 ILE 78 HD11 ILE 78 -4.405 2.633 2.855 526 HD12 ILE 78 HD12 ILE 78 -2.797 3.258 2.793 527 HD13 ILE 78 HD13 ILE 78 -3.292 2.033 1.724 528 H ALA 79 H ALA 79 -5.982 -1.995 2.717 529 HA ALA 79 HA ALA 79 -7.256 -0.546 0.569 530 HB1 ALA 79 HB1 ALA 79 -6.470 -2.822 0.372 531 HB2 ALA 79 HB2 ALA 79 -7.718 -3.353 1.422 532 HB3 ALA 79 HB3 ALA 79 -8.077 -2.675 -0.101 533 H ALA 80 H ALA 80 -8.423 -1.278 3.684 534 HA ALA 80 HA ALA 80 -11.221 -0.695 3.027 535 HB1 ALA 80 HB1 ALA 80 -9.902 -1.328 5.664 536 HB2 ALA 80 HB2 ALA 80 -11.566 -0.956 5.455 537 HB3 ALA 80 HB3 ALA 80 -10.918 -2.355 4.660 538 H ILE 81 H ILE 81 -8.421 0.790 4.443 539 HA ILE 81 HA ILE 81 -9.643 3.300 5.183 540 HB ILE 81 HB ILE 81 -6.818 2.490 4.752 541 HG12 ILE 81 1HG1 ILE 81 -8.205 3.215 7.322 542 HG13 ILE 81 2HG1 ILE 81 -8.244 1.580 6.762 543 HG21 ILE 81 1HG2 ILE 81 -7.265 4.930 5.570 544 HG22 ILE 81 2HG2 ILE 81 -6.766 4.782 5.511 545 HG23 ILE 81 3HG2 ILE 81 -7.094 4.818 5.103 546 HD11 ILE 81 1HD1 ILE 81 -5.753 3.057 7.486 547 HD12 ILE 81 2HD1 ILE 81 -6.496 1.768 8.327 548 HD13 ILE 81 3HD1 ILE 81 -5.812 1.467 6.815 549 H ILE 82 H ILE 82 -7.667 2.354 2.299 550 HA ILE 82 HA ILE 82 -8.191 4.467 0.678 551 HB ILE 82 HB ILE 82 -8.021 1.578 0.097 552 HG12 ILE 82 HG12 ILE 82 -6.098 3.895 -0.386 553 HG13 ILE 82 HG13 ILE 82 -6.091 2.923 1.066 554 HG21 ILE 82 HG21 ILE 82 -7.914 3.859 -1.940 555 HG22 ILE 82 HG22 ILE 82 -7.581 2.184 -2.311 556 HG23 ILE 82 HG23 ILE 82 -9.143 2.638 -1.834 557 HD11 ILE 82 HD11 ILE 82 -4.324 2.418 -0.557 558 HD12 ILE 82 HD12 ILE 82 -5.274 1.007 -0.104 559 HD13 ILE 82 HD13 ILE 82 -5.497 1.749 -1.637 560 H LYS 83 H LYS 83 -10.426 1.815 1.131 561 HA LYS 83 HA LYS 83 -12.364 2.742 -0.680 562 HB2 LYS 83 HB2 LYS 83 -12.429 0.519 0.018 563 HB3 LYS 83 HB3 LYS 83 -12.388 1.014 1.708 564 HG2 LYS 83 HG2 LYS 83 -14.551 0.139 1.226 565 HG3 LYS 83 HG3 LYS 83 -14.674 1.845 1.551 566 HD2 LYS 83 HD2 LYS 83 -16.096 1.465 -0.270 567 HD3 LYS 83 HD3 LYS 83 -14.689 2.220 -0.921 568 HE2 LYS 83 HE2 LYS 83 -13.843 0.064 -1.694 569 HE3 LYS 83 HE3 LYS 83 -15.124 -0.701 -0.897 570 HZ1 LYS 83 HZ1 LYS 83 -15.588 1.076 -2.990 571 HZ2 LYS 83 HZ2 LYS 83 -15.522 -0.443 -3.156 572 HZ3 LYS 83 HZ3 LYS 83 -16.638 0.215 -2.314 573 H ALA 84 H ALA 84 -11.757 3.813 2.618 574 HA ALA 84 HA ALA 84 -14.013 5.618 2.637 575 HB1 ALA 84 HB1 ALA 84 -11.689 5.345 4.501 576 HB2 ALA 84 HB2 ALA 84 -13.081 6.279 4.752 577 HB3 ALA 84 HB3 ALA 84 -13.196 4.569 4.651 578 H GLY 85 H GLY 85 -10.458 5.863 2.161 579 HA2 GLY 85 HA2 GLY 85 -10.455 8.629 2.229 580 HA3 GLY 85 HA3 GLY 85 -9.119 7.582 1.851 581 H GLY 86 H GLY 86 -10.228 6.440 -0.584 582 HA2 GLY 86 HA2 GLY 86 -10.328 6.854 -2.785 583 HA3 GLY 86 HA3 GLY 86 -10.786 8.498 -2.478 584 H PHE 87 H PHE 87 -7.859 6.487 -2.142 585 HA PHE 87 HA PHE 87 -6.052 8.578 -1.810 586 HB2 PHE 87 HB2 PHE 87 -5.929 5.679 -2.289 587 HB3 PHE 87 HB3 PHE 87 -4.489 6.688 -2.331 588 HD1 PHE 87 HD1 PHE 87 -7.523 6.593 -0.044 589 HD2 PHE 87 HD2 PHE 87 -3.212 6.274 -0.333 590 HE1 PHE 87 HE1 PHE 87 -7.381 5.999 2.310 591 HE2 PHE 87 HE2 PHE 87 -3.134 5.729 2.002 592 HZ PHE 87 HZ PHE 87 -5.179 5.737 3.339 593 H1 ACE 1 H1 ACE 1 5.002 14.870 -3.535 594 H2 ACE 1 H2 ACE 1 4.844 15.542 -2.761 595 H3 ACE 1 H3 ACE 1 5.192 14.539 -2.512 596 HN1 NH2 22 HN1 NH2 22 -5.005 -9.795 3.046 597 HN2 NH2 22 HN2 NH2 22 -5.604 -9.315 1.487 598 H1 ACE 23 H1 ACE 23 -3.498 -15.305 -2.312 599 H2 ACE 23 H2 ACE 23 -3.459 -15.109 -2.681 600 H3 ACE 23 H3 ACE 23 -3.294 -15.478 -2.609 601 HN1 NH2 44 HN1 NH2 44 3.031 10.516 3.775 602 HN2 NH2 44 HN2 NH2 44 4.061 9.459 2.905 603 H1 ACE 45 H1 ACE 45 -10.748 11.579 3.574 604 H2 ACE 45 H2 ACE 45 -10.850 11.553 2.851 605 H3 ACE 45 H3 ACE 45 -10.940 10.987 3.225 606 HN1 NH2 66 HN1 NH2 66 8.180 -7.813 -1.143 607 HN2 NH2 66 HN2 NH2 66 8.416 -6.732 0.203 608 H1 ACE 67 H1 ACE 67 8.553 -11.945 5.581 609 H2 ACE 67 H2 ACE 67 8.403 -12.122 5.645 610 H3 ACE 67 H3 ACE 67 8.530 -12.144 5.481 611 HN1 NH2 88 HN1 NH2 88 -6.131 7.829 -5.802 612 HN2 NH2 88 HN2 NH2 88 -7.009 6.788 -4.745 Start of MODEL 6 1 H1 ALA 2 H1 ALA 2 2.385 13.723 -0.564 2 HA ALA 2 HA ALA 2 1.497 11.382 -1.947 3 HB1 ALA 2 HB1 ALA 2 -0.716 12.161 -1.164 4 HB2 ALA 2 HB2 ALA 2 0.407 12.201 0.082 5 HB3 ALA 2 HB3 ALA 2 -0.070 13.631 -0.665 6 H LYS 3 H LYS 3 2.541 14.114 -3.330 7 HA LYS 3 HA LYS 3 0.776 14.547 -5.495 8 HB2 LYS 3 HB2 LYS 3 3.786 14.589 -5.209 9 HB3 LYS 3 HB3 LYS 3 2.947 15.159 -6.621 10 HG2 LYS 3 HG2 LYS 3 1.663 16.726 -5.219 11 HG3 LYS 3 HG3 LYS 3 2.689 16.282 -3.919 12 HD2 LYS 3 HD2 LYS 3 4.166 16.934 -6.285 13 HD3 LYS 3 HD3 LYS 3 3.311 18.082 -5.639 14 HE2 LYS 3 HE2 LYS 3 4.042 18.092 -3.729 15 HE3 LYS 3 HE3 LYS 3 4.884 17.004 -4.422 16 HZ1 LYS 3 HZ1 LYS 3 6.116 18.877 -4.522 17 HZ2 LYS 3 HZ2 LYS 3 5.786 18.559 -5.714 18 HZ3 LYS 3 HZ3 LYS 3 5.184 19.475 -5.084 19 H ALA 4 H ALA 4 2.960 11.969 -4.703 20 HA ALA 4 HA ALA 4 2.780 10.622 -7.269 21 HB1 ALA 4 HB1 ALA 4 4.253 9.085 -6.081 22 HB2 ALA 4 HB2 ALA 4 4.795 10.682 -5.762 23 HB3 ALA 4 HB3 ALA 4 3.880 9.871 -4.555 24 H ALA 5 H ALA 5 0.504 10.878 -4.865 25 HA ALA 5 HA ALA 5 0.243 8.183 -4.071 26 HB1 ALA 5 HB1 ALA 5 -1.831 8.868 -3.021 27 HB2 ALA 5 HB2 ALA 5 -0.560 9.997 -2.691 28 HB3 ALA 5 HB3 ALA 5 -1.788 10.413 -3.866 29 H ALA 6 H ALA 6 -1.617 9.867 -6.615 30 HA ALA 6 HA ALA 6 -3.343 7.770 -7.102 31 HB1 ALA 6 HB1 ALA 6 -3.577 8.734 -9.323 32 HB2 ALA 6 HB2 ALA 6 -3.589 9.962 -8.103 33 HB3 ALA 6 HB3 ALA 6 -2.171 9.681 -9.106 34 H ALA 7 H ALA 7 -0.195 8.201 -8.377 35 HA ALA 7 HA ALA 7 0.010 5.857 -9.963 36 HB1 ALA 7 HB1 ALA 7 2.418 6.254 -9.816 37 HB2 ALA 7 HB2 ALA 7 1.586 7.651 -10.246 38 HB3 ALA 7 HB3 ALA 7 2.174 7.439 -8.646 39 H ALA 8 H ALA 8 0.388 6.172 -6.448 40 HA ALA 8 HA ALA 8 1.519 3.507 -6.188 41 HB1 ALA 8 1HB ALA 8 1.668 4.749 -4.211 42 HB2 ALA 8 2HB ALA 8 1.042 5.358 -4.338 43 HB3 ALA 8 3HB ALA 8 0.801 4.535 -4.092 44 H ILE 9 H ILE 9 -1.486 5.158 -5.457 45 HA ILE 9 HA ILE 9 -2.736 2.939 -4.316 46 HB ILE 9 HB ILE 9 -4.172 5.222 -5.451 47 HG12 ILE 9 1HG1 ILE 9 -2.394 6.105 -4.057 48 HG13 ILE 9 2HG1 ILE 9 -3.975 6.413 -3.416 49 HG21 ILE 9 1HG2 ILE 9 -5.605 4.010 -4.221 50 HG22 ILE 9 2HG2 ILE 9 -5.192 3.433 -4.040 51 HG23 ILE 9 3HG2 ILE 9 -5.328 3.981 -3.496 52 HD11 ILE 9 1HD1 ILE 9 -2.969 4.698 -1.889 53 HD12 ILE 9 2HD1 ILE 9 -2.382 4.957 -2.036 54 HD13 ILE 9 3HD1 ILE 9 -2.897 5.388 -1.916 55 H LYS 10 H LYS 10 -2.886 4.202 -7.553 56 HA LYS 10 HA LYS 10 -5.203 2.609 -8.311 57 HB2 LYS 10 HB2 LYS 10 -3.284 4.432 -9.814 58 HB3 LYS 10 HB3 LYS 10 -4.552 3.553 -10.633 59 HG2 LYS 10 HG2 LYS 10 -6.253 4.697 -9.200 60 HG3 LYS 10 HG3 LYS 10 -4.945 5.623 -8.489 61 HD2 LYS 10 HD2 LYS 10 -4.317 6.506 -10.719 62 HD3 LYS 10 HD3 LYS 10 -5.660 5.600 -11.415 63 HE2 LYS 10 HE2 LYS 10 -7.265 6.767 -10.019 64 HE3 LYS 10 HE3 LYS 10 -5.980 7.768 -9.439 65 HZ1 LYS 10 HZ1 LYS 10 -7.029 8.830 -11.183 66 HZ2 LYS 10 HZ2 LYS 10 -5.623 8.470 -11.655 67 HZ3 LYS 10 HZ3 LYS 10 -6.794 7.647 -12.172 68 H ALA 11 H ALA 11 -1.876 2.064 -8.383 69 HA ALA 11 HA ALA 11 -2.029 -0.448 -9.908 70 HB1 ALA 11 HB1 ALA 11 0.011 0.861 -9.857 71 HB2 ALA 11 HB2 ALA 11 0.153 0.598 -8.135 72 HB3 ALA 11 HB3 ALA 11 0.239 -0.738 -9.238 73 H ILE 12 H ILE 12 -1.560 0.462 -6.506 74 HA ILE 12 HA ILE 12 -1.560 -2.212 -5.664 75 HB ILE 12 HB ILE 12 -0.623 -0.069 -4.622 76 HG12 ILE 12 1HG1 ILE 12 -0.493 -2.485 -4.118 77 HG13 ILE 12 2HG1 ILE 12 -0.125 -1.498 -3.126 78 HG21 ILE 12 1HG2 ILE 12 -1.734 0.818 -2.772 79 HG22 ILE 12 2HG2 ILE 12 -2.835 0.924 -4.063 80 HG23 ILE 12 3HG2 ILE 12 -3.075 -0.302 -2.873 81 HD11 ILE 12 1HD1 ILE 12 -0.563 -2.881 -1.792 82 HD12 ILE 12 2HD1 ILE 12 -1.315 -1.772 -2.152 83 HD13 ILE 12 3HD1 ILE 12 -1.496 -2.625 -2.678 84 H ALA 13 H ALA 13 -4.289 0.104 -5.470 85 HA ALA 13 HA ALA 13 -6.016 -1.986 -4.426 86 HB1 ALA 13 HB1 ALA 13 -6.600 0.800 -5.289 87 HB2 ALA 13 HB2 ALA 13 -7.693 -0.282 -4.421 88 HB3 ALA 13 HB3 ALA 13 -6.204 0.262 -3.703 89 H ALA 14 H ALA 14 -4.792 -2.130 -7.175 90 HA ALA 14 HA ALA 14 -7.143 -3.526 -8.278 91 HB1 ALA 14 HB1 ALA 14 -5.292 -2.159 -9.806 92 HB2 ALA 14 HB2 ALA 14 -5.813 -3.081 -10.291 93 HB3 ALA 14 HB3 ALA 14 -6.431 -2.199 -9.960 94 H ILE 15 H ILE 15 -3.721 -3.596 -7.620 95 HA ILE 15 HA ILE 15 -3.237 -6.354 -8.220 96 HB ILE 15 HB ILE 15 -1.812 -4.392 -6.453 97 HG12 ILE 15 HG12 ILE 15 -0.925 -5.435 -9.136 98 HG13 ILE 15 HG13 ILE 15 -1.970 -4.033 -9.035 99 HG21 ILE 15 HG21 ILE 15 -1.244 -6.634 -5.797 100 HG22 ILE 15 HG22 ILE 15 -0.847 -7.076 -7.396 101 HG23 ILE 15 HG23 ILE 15 0.123 -5.870 -6.598 102 HD11 ILE 15 HD11 ILE 15 -0.283 -2.917 -7.627 103 HD12 ILE 15 HD12 ILE 15 0.798 -4.162 -7.906 104 HD13 ILE 15 HD13 ILE 15 0.234 -3.222 -9.191 105 H ILE 16 H ILE 16 -4.168 -4.666 -5.286 106 HA ILE 16 HA ILE 16 -4.420 -6.557 -3.328 107 HB ILE 16 HB ILE 16 -6.358 -4.413 -4.130 108 HG12 ILE 16 HG12 ILE 16 -3.850 -4.047 -3.372 109 HG13 ILE 16 HG13 ILE 16 -5.124 -3.008 -2.802 110 HG21 ILE 16 HG21 ILE 16 -7.586 -5.906 -2.666 111 HG22 ILE 16 HG22 ILE 16 -6.185 -6.061 -1.613 112 HG23 ILE 16 HG23 ILE 16 -7.058 -4.540 -1.725 113 HD11 ILE 16 HD11 ILE 16 -3.527 -3.589 -1.065 114 HD12 ILE 16 HD12 ILE 16 -5.096 -4.099 -0.660 115 HD13 ILE 16 HD13 ILE 16 -3.967 -5.253 -1.227 116 H LYS 17 H LYS 17 -6.893 -5.757 -5.728 117 HA LYS 17 HA LYS 17 -8.824 -7.614 -5.023 118 HB2 LYS 17 1HB LYS 17 -8.174 -5.903 -7.466 119 HB3 LYS 17 2HB LYS 17 -9.715 -6.667 -7.148 120 HG2 LYS 17 1HG LYS 17 -9.742 -5.374 -4.938 121 HG3 LYS 17 2HG LYS 17 -8.453 -4.442 -5.639 122 HD2 LYS 17 1HD LYS 17 -9.796 -3.804 -7.526 123 HD3 LYS 17 2HD LYS 17 -11.089 -4.761 -6.889 124 HE2 LYS 17 1HE LYS 17 -10.627 -3.315 -4.737 125 HE3 LYS 17 2HE LYS 17 -10.314 -2.423 -5.905 126 HZ1 LYS 17 1HZ LYS 17 -12.113 -2.571 -6.325 127 HZ2 LYS 17 2HZ LYS 17 -11.900 -2.948 -5.804 128 HZ3 LYS 17 3HZ LYS 17 -12.193 -2.226 -5.677 129 H ALA 18 H ALA 18 -6.467 -7.565 -7.504 130 HA ALA 18 HA ALA 18 -7.115 -10.004 -8.824 131 HB1 ALA 18 HB1 ALA 18 -4.911 -9.651 -9.866 132 HB2 ALA 18 HB2 ALA 18 -5.925 -8.308 -10.012 133 HB3 ALA 18 HB3 ALA 18 -4.650 -8.285 -8.864 134 H GLY 19 H GLY 19 -4.833 -9.126 -6.202 135 HA2 GLY 19 HA2 GLY 19 -3.732 -11.683 -5.955 136 HA3 GLY 19 HA3 GLY 19 -3.589 -10.336 -4.842 137 H GLY 20 H GLY 20 -6.372 -10.156 -4.331 138 HA2 GLY 20 HA2 GLY 20 -8.227 -11.275 -3.376 139 HA3 GLY 20 HA3 GLY 20 -7.274 -12.690 -3.143 140 H PHE 21 H PHE 21 -5.682 -9.892 -2.183 141 HA PHE 21 HA PHE 21 -5.811 -10.808 0.572 142 HB2 PHE 21 HB2 PHE 21 -3.730 -10.082 0.893 143 HB3 PHE 21 HB3 PHE 21 -3.872 -11.144 -0.383 144 HD1 PHE 21 HD1 PHE 21 -4.431 -8.478 -2.357 145 HD2 PHE 21 HD2 PHE 21 -1.418 -10.088 0.212 146 HE1 PHE 21 HE1 PHE 21 -2.683 -7.510 -3.771 147 HE2 PHE 21 HE2 PHE 21 0.284 -9.080 -1.122 148 HZ PHE 21 HZ PHE 21 -0.392 -7.823 -3.235 149 H ALA 24 H ALA 24 -2.136 -13.075 -0.599 150 HA ALA 24 HA ALA 24 -0.575 -15.060 -1.600 151 HB1 ALA 24 HB1 ALA 24 -2.749 -14.475 -2.419 152 HB2 ALA 24 HB2 ALA 24 -2.215 -13.061 -3.004 153 HB3 ALA 24 HB3 ALA 24 -1.667 -14.531 -3.704 154 H LYS 25 H LYS 25 0.781 -15.149 -3.402 155 HA LYS 25 HA LYS 25 3.100 -13.601 -3.303 156 HB2 LYS 25 HB2 LYS 25 2.106 -15.401 -5.489 157 HB3 LYS 25 HB3 LYS 25 3.695 -14.713 -5.394 158 HG2 LYS 25 HG2 LYS 25 4.073 -15.798 -3.242 159 HG3 LYS 25 HG3 LYS 25 2.542 -16.566 -3.409 160 HD2 LYS 25 HD2 LYS 25 4.825 -16.987 -5.268 161 HD3 LYS 25 HD3 LYS 25 4.323 -18.066 -4.053 162 HE2 LYS 25 HE2 LYS 25 2.126 -18.237 -5.031 163 HE3 LYS 25 HE3 LYS 25 2.708 -17.339 -6.317 164 HZ1 LYS 25 HZ1 LYS 25 4.090 -19.132 -6.631 165 HZ2 LYS 25 HZ2 LYS 25 3.170 -19.481 -6.659 166 HZ3 LYS 25 HZ3 LYS 25 3.761 -19.699 -5.880 167 H ALA 26 H ALA 26 0.262 -12.642 -4.705 168 HA ALA 26 HA ALA 26 0.910 -10.624 -6.527 169 HB1 ALA 26 HB1 ALA 26 -1.320 -11.367 -5.886 170 HB2 ALA 26 HB2 ALA 26 -1.038 -10.864 -4.229 171 HB3 ALA 26 HB3 ALA 26 -1.122 -9.648 -5.476 172 H ALA 27 H ALA 27 1.825 -10.970 -3.139 173 HA ALA 27 HA ALA 27 2.156 -8.322 -2.402 174 HB1 ALA 27 HB1 ALA 27 2.217 -10.145 -0.838 175 HB2 ALA 27 HB2 ALA 27 3.596 -10.869 -1.597 176 HB3 ALA 27 HB3 ALA 27 3.732 -9.327 -0.761 177 H ALA 28 H ALA 28 4.511 -10.376 -4.120 178 HA ALA 28 HA ALA 28 6.433 -8.355 -4.219 179 HB1 ALA 28 HB1 ALA 28 6.181 -10.774 -5.766 180 HB2 ALA 28 HB2 ALA 28 7.367 -9.908 -5.967 181 HB3 ALA 28 HB3 ALA 28 7.086 -10.531 -4.645 182 H ALA 29 H ALA 29 3.562 -8.342 -5.819 183 HA ALA 29 HA ALA 29 4.484 -6.406 -7.822 184 HB1 ALA 29 HB1 ALA 29 2.968 -8.120 -8.647 185 HB2 ALA 29 HB2 ALA 29 1.812 -7.768 -7.485 186 HB3 ALA 29 HB3 ALA 29 2.218 -6.571 -8.688 187 H ALA 30 H ALA 30 2.353 -6.692 -4.938 188 HA ALA 30 HA ALA 30 1.271 -4.085 -5.284 189 HB1 ALA 30 1HB ALA 30 0.652 -5.293 -3.136 190 HB2 ALA 30 2HB ALA 30 0.190 -5.415 -3.581 191 HB3 ALA 30 3HB ALA 30 0.687 -5.827 -3.439 192 H ILE 31 H ILE 31 3.654 -5.544 -3.157 193 HA ILE 31 HA ILE 31 4.178 -3.303 -1.479 194 HB ILE 31 HB ILE 31 5.883 -5.582 -2.344 195 HG12 ILE 31 1HG1 ILE 31 3.945 -6.573 -1.417 196 HG13 ILE 31 2HG1 ILE 31 5.234 -6.720 -0.251 197 HG21 ILE 31 1HG2 ILE 31 6.508 -4.162 -0.209 198 HG22 ILE 31 2HG2 ILE 31 6.994 -4.867 -0.405 199 HG23 ILE 31 3HG2 ILE 31 7.056 -4.187 -0.912 200 HD11 ILE 31 1HD1 ILE 31 4.194 -4.952 1.113 201 HD12 ILE 31 2HD1 ILE 31 2.950 -4.816 -0.100 202 HD13 ILE 31 3HD1 ILE 31 3.116 -6.252 0.778 203 H LYS 32 H LYS 32 5.652 -4.536 -4.457 204 HA LYS 32 HA LYS 32 7.675 -2.529 -4.661 205 HB2 LYS 32 HB2 LYS 32 6.466 -4.320 -6.783 206 HB3 LYS 32 HB3 LYS 32 7.873 -3.300 -7.004 207 HG2 LYS 32 HG2 LYS 32 7.679 -5.553 -5.019 208 HG3 LYS 32 HG3 LYS 32 8.485 -5.600 -6.560 209 HD2 LYS 32 HD2 LYS 32 10.029 -3.886 -5.869 210 HD3 LYS 32 HD3 LYS 32 9.342 -3.941 -4.340 211 HE2 LYS 32 HE2 LYS 32 9.807 -6.306 -4.158 212 HE3 LYS 32 HE3 LYS 32 10.586 -6.130 -5.590 213 HZ1 LYS 32 HZ1 LYS 32 12.061 -6.126 -3.895 214 HZ2 LYS 32 HZ2 LYS 32 12.132 -4.872 -4.672 215 HZ3 LYS 32 HZ3 LYS 32 11.415 -4.852 -3.364 216 H ALA 33 H ALA 33 4.454 -2.750 -6.160 217 HA ALA 33 HA ALA 33 4.615 -0.262 -7.371 218 HB1 ALA 33 HB1 ALA 33 2.213 -1.905 -6.524 219 HB2 ALA 33 HB2 ALA 33 2.204 -0.643 -7.718 220 HB3 ALA 33 HB3 ALA 33 3.077 -2.127 -7.995 221 H ILE 34 H ILE 34 4.308 -0.742 -4.109 222 HA ILE 34 HA ILE 34 3.634 2.113 -3.744 223 HB ILE 34 HB ILE 34 2.425 -0.159 -2.760 224 HG12 ILE 34 HG12 ILE 34 1.432 1.983 -3.294 225 HG13 ILE 34 HG13 ILE 34 0.854 1.184 -1.841 226 HG21 ILE 34 HG21 ILE 34 3.873 1.038 -0.463 227 HG22 ILE 34 HG22 ILE 34 2.471 -0.006 -0.376 228 HG23 ILE 34 HG23 ILE 34 3.942 -0.592 -1.086 229 HD11 ILE 34 HD11 ILE 34 1.079 3.531 -1.475 230 HD12 ILE 34 HD12 ILE 34 2.147 2.700 -0.458 231 HD13 ILE 34 HD13 ILE 34 2.769 3.489 -1.877 232 H ALA 35 H ALA 35 5.903 -0.299 -2.330 233 HA ALA 35 HA ALA 35 7.078 1.756 -0.783 234 HB1 ALA 35 HB1 ALA 35 7.410 -0.698 -0.697 235 HB2 ALA 35 HB2 ALA 35 8.321 -0.589 -1.072 236 HB3 ALA 35 HB3 ALA 35 8.118 -0.162 -0.209 237 H ALA 36 H ALA 36 7.686 0.636 -4.001 238 HA ALA 36 HA ALA 36 10.263 2.017 -4.263 239 HB1 ALA 36 HB1 ALA 36 10.262 1.246 -6.417 240 HB2 ALA 36 HB2 ALA 36 9.765 -0.085 -5.508 241 HB3 ALA 36 HB3 ALA 36 8.594 0.780 -6.462 242 H ILE 37 H ILE 37 6.872 2.575 -4.915 243 HA ILE 37 HA ILE 37 7.271 5.003 -6.423 244 HB ILE 37 HB ILE 37 5.016 3.409 -5.372 245 HG12 ILE 37 HG12 ILE 37 4.216 3.655 -7.677 246 HG13 ILE 37 HG13 ILE 37 5.632 4.551 -8.060 247 HG21 ILE 37 HG21 ILE 37 4.216 5.481 -4.735 248 HG22 ILE 37 HG22 ILE 37 4.764 6.254 -6.261 249 HG23 ILE 37 HG23 ILE 37 3.440 5.099 -6.260 250 HD11 ILE 37 HD11 ILE 37 5.671 2.166 -8.748 251 HD12 ILE 37 HD12 ILE 37 7.032 2.718 -7.818 252 HD13 ILE 37 HD13 ILE 37 5.790 1.782 -7.102 253 H ILE 38 H ILE 38 6.490 4.225 -3.051 254 HA ILE 38 HA ILE 38 6.530 6.795 -2.063 255 HB ILE 38 HB ILE 38 7.226 4.159 -0.835 256 HG12 ILE 38 HG12 ILE 38 4.915 6.115 -0.596 257 HG13 ILE 38 HG13 ILE 38 4.867 4.693 -1.589 258 HG21 ILE 38 HG21 ILE 38 6.925 6.732 0.678 259 HG22 ILE 38 HG22 ILE 38 7.100 5.155 1.401 260 HG23 ILE 38 HG23 ILE 38 8.396 5.815 0.527 261 HD11 ILE 38 HD11 ILE 38 5.052 3.272 0.457 262 HD12 ILE 38 HD12 ILE 38 4.950 4.795 1.369 263 HD13 ILE 38 HD13 ILE 38 3.620 4.315 0.428 264 H LYS 39 H LYS 39 9.274 4.713 -2.492 265 HA LYS 39 HA LYS 39 11.323 6.371 -1.528 266 HB2 LYS 39 HB2 LYS 39 11.687 4.093 -1.963 267 HB3 LYS 39 HB3 LYS 39 11.054 4.216 -3.576 268 HG2 LYS 39 HG2 LYS 39 13.404 3.932 -3.773 269 HG3 LYS 39 HG3 LYS 39 13.108 5.580 -4.181 270 HD2 LYS 39 HD2 LYS 39 14.767 5.990 -2.755 271 HD3 LYS 39 HD3 LYS 39 13.617 5.824 -1.589 272 HE2 LYS 39 HE2 LYS 39 13.957 3.707 -1.136 273 HE3 LYS 39 HE3 LYS 39 14.984 3.765 -2.393 274 HZ1 LYS 39 HZ1 LYS 39 15.532 5.084 -0.155 275 HZ2 LYS 39 HZ2 LYS 39 16.125 3.970 -0.421 276 HZ3 LYS 39 HZ3 LYS 39 16.322 5.028 -1.129 277 H ALA 40 H ALA 40 9.555 6.535 -4.564 278 HA ALA 40 HA ALA 40 11.204 8.719 -5.591 279 HB1 ALA 40 HB1 ALA 40 9.602 8.574 -7.475 280 HB2 ALA 40 HB2 ALA 40 10.271 7.032 -7.077 281 HB3 ALA 40 HB3 ALA 40 8.672 7.421 -6.591 282 H GLY 41 H GLY 41 7.840 8.325 -4.415 283 HA2 GLY 41 HA2 GLY 41 7.082 10.930 -4.815 284 HA3 GLY 41 HA3 GLY 41 6.314 9.764 -3.731 285 H GLY 42 H GLY 42 8.355 9.492 -1.901 286 HA2 GLY 42 HA2 GLY 42 9.135 10.382 0.055 287 HA3 GLY 42 HA3 GLY 42 9.030 11.958 -0.619 288 H PHE 43 H PHE 43 6.509 9.558 0.001 289 HA PHE 43 HA PHE 43 4.443 11.236 0.366 290 HB2 PHE 43 HB2 PHE 43 4.928 8.415 1.138 291 HB3 PHE 43 HB3 PHE 43 3.454 9.286 1.517 292 HD1 PHE 43 HD1 PHE 43 5.715 8.454 -1.392 293 HD2 PHE 43 HD2 PHE 43 1.693 9.198 -0.088 294 HE1 PHE 43 HE1 PHE 43 4.875 7.362 -3.362 295 HE2 PHE 43 HE2 PHE 43 0.881 8.171 -2.097 296 HZ PHE 43 HZ PHE 43 2.441 7.226 -3.789 297 H ALA 46 H ALA 46 -6.907 11.165 -2.728 298 HA ALA 46 HA ALA 46 -5.136 10.128 -0.794 299 HB1 ALA 46 1HB ALA 46 -3.864 10.975 -2.530 300 HB2 ALA 46 2HB ALA 46 -4.622 11.340 -3.013 301 HB3 ALA 46 3HB ALA 46 -4.132 11.893 -2.388 302 H LYS 47 H LYS 47 -7.162 12.637 -0.401 303 HA LYS 47 HA LYS 47 -5.844 14.362 1.385 304 HB2 LYS 47 HB2 LYS 47 -8.618 13.181 1.536 305 HB3 LYS 47 HB3 LYS 47 -8.051 14.518 2.480 306 HG2 LYS 47 HG2 LYS 47 -7.669 15.849 0.466 307 HG3 LYS 47 HG3 LYS 47 -8.279 14.543 -0.467 308 HD2 LYS 47 HD2 LYS 47 -10.426 14.690 0.732 309 HD3 LYS 47 HD3 LYS 47 -9.827 16.008 1.622 310 HE2 LYS 47 HE2 LYS 47 -10.033 15.998 -1.344 311 HE3 LYS 47 HE3 LYS 47 -11.237 16.635 -0.268 312 HZ1 LYS 47 HZ1 LYS 47 -8.590 17.665 -0.502 313 HZ2 LYS 47 HZ2 LYS 47 -9.910 18.313 -1.122 314 HZ3 LYS 47 HZ3 LYS 47 -9.731 18.225 0.440 315 H ALA 48 H ALA 48 -7.008 11.067 1.738 316 HA ALA 48 HA ALA 48 -6.410 10.792 4.511 317 HB1 ALA 48 HB1 ALA 48 -7.182 8.842 2.392 318 HB2 ALA 48 HB2 ALA 48 -7.303 8.550 4.093 319 HB3 ALA 48 HB3 ALA 48 -8.335 9.776 3.350 320 H ALA 49 H ALA 49 -4.244 11.045 2.120 321 HA ALA 49 HA ALA 49 -3.199 8.475 2.004 322 HB1 ALA 49 HB1 ALA 49 -1.840 11.061 1.276 323 HB2 ALA 49 HB2 ALA 49 -1.354 9.486 0.869 324 HB3 ALA 49 HB3 ALA 49 -2.865 10.056 0.273 325 H ALA 50 H ALA 50 -1.966 11.162 3.951 326 HA ALA 50 HA ALA 50 0.282 9.933 4.962 327 HB1 ALA 50 HB1 ALA 50 -0.127 12.211 5.411 328 HB2 ALA 50 HB2 ALA 50 -1.552 11.845 6.309 329 HB3 ALA 50 HB3 ALA 50 0.047 11.412 6.894 330 H ALA 51 H ALA 51 -2.955 9.452 6.107 331 HA ALA 51 HA ALA 51 -2.323 7.747 8.284 332 HB1 ALA 51 HB1 ALA 51 -4.676 7.162 8.222 333 HB2 ALA 51 HB2 ALA 51 -4.497 8.897 8.024 334 HB3 ALA 51 HB3 ALA 51 -4.853 7.922 6.663 335 H ALA 52 H ALA 52 -2.838 7.045 4.840 336 HA ALA 52 HA ALA 52 -2.912 4.167 5.272 337 HB1 ALA 52 1HB ALA 52 -3.704 4.884 3.180 338 HB2 ALA 52 2HB ALA 52 -3.228 5.533 2.914 339 HB3 ALA 52 3HB ALA 52 -2.920 4.732 2.907 340 H ILE 53 H ILE 53 -0.640 6.529 3.964 341 HA ILE 53 HA ILE 53 1.333 4.664 3.272 342 HB ILE 53 HB ILE 53 1.818 7.503 4.071 343 HG12 ILE 53 1HG1 ILE 53 0.035 7.511 2.410 344 HG13 ILE 53 2HG1 ILE 53 1.491 8.140 1.749 345 HG21 ILE 53 1HG2 ILE 53 3.659 6.833 2.845 346 HG22 ILE 53 2HG2 ILE 53 3.592 6.153 3.284 347 HG23 ILE 53 3HG2 ILE 53 3.484 6.161 2.436 348 HD11 ILE 53 1HD1 ILE 53 1.828 6.110 0.485 349 HD12 ILE 53 2HD1 ILE 53 0.396 5.429 1.208 350 HD13 ILE 53 3HD1 ILE 53 0.306 6.836 0.202 351 H LYS 54 H LYS 54 0.864 6.550 6.242 352 HA LYS 54 HA LYS 54 3.357 5.689 7.403 353 HB2 LYS 54 1HB LYS 54 0.906 7.160 8.473 354 HB3 LYS 54 2HB LYS 54 2.384 6.866 9.401 355 HG2 LYS 54 1HG LYS 54 2.372 8.387 6.826 356 HG3 LYS 54 2HG LYS 54 2.284 9.126 8.374 357 HD2 LYS 54 1HD LYS 54 4.382 8.156 9.043 358 HD3 LYS 54 2HD LYS 54 4.487 7.563 7.450 359 HE2 LYS 54 1HE LYS 54 4.358 9.839 6.524 360 HE3 LYS 54 2HE LYS 54 4.278 10.351 8.133 361 HZ1 LYS 54 1HZ LYS 54 6.477 10.032 8.050 362 HZ2 LYS 54 2HZ LYS 54 6.379 9.123 7.736 363 HZ3 LYS 54 3HZ LYS 54 6.508 9.877 7.100 364 H ALA 55 H ALA 55 0.225 4.354 7.509 365 HA ALA 55 HA ALA 55 1.021 2.231 9.357 366 HB1 ALA 55 HB1 ALA 55 -0.951 1.022 8.328 367 HB2 ALA 55 HB2 ALA 55 -1.373 2.569 8.993 368 HB3 ALA 55 HB3 ALA 55 -1.206 2.390 7.272 369 H ILE 56 H ILE 56 0.737 2.335 5.793 370 HA ILE 56 HA ILE 56 1.763 -0.300 5.685 371 HB ILE 56 HB ILE 56 0.201 1.011 4.107 372 HG12 ILE 56 HG12 ILE 56 0.450 -1.313 4.031 373 HG13 ILE 56 HG13 ILE 56 0.317 -0.615 2.445 374 HG21 ILE 56 HG21 ILE 56 1.147 1.719 2.006 375 HG22 ILE 56 HG22 ILE 56 1.831 2.625 3.323 376 HG23 ILE 56 HG23 ILE 56 2.770 1.334 2.590 377 HD11 ILE 56 HD11 ILE 56 2.728 -1.840 3.673 378 HD12 ILE 56 HD12 ILE 56 1.891 -2.352 2.242 379 HD13 ILE 56 HD13 ILE 56 2.780 -0.887 2.183 380 H ALA 57 H ALA 57 3.514 2.741 4.987 381 HA ALA 57 HA ALA 57 5.920 1.199 4.504 382 HB1 ALA 57 HB1 ALA 57 6.851 3.405 3.975 383 HB2 ALA 57 HB2 ALA 57 5.391 3.000 3.101 384 HB3 ALA 57 HB3 ALA 57 5.335 4.134 4.439 385 H ALA 58 H ALA 58 4.576 1.330 7.075 386 HA ALA 58 HA ALA 58 7.112 1.303 8.595 387 HB1 ALA 58 1HB ALA 58 5.038 2.390 9.631 388 HB2 ALA 58 2HB ALA 58 5.088 1.679 10.232 389 HB3 ALA 58 3HB ALA 58 5.835 2.257 10.133 390 H ILE 59 H ILE 59 4.039 -0.191 8.096 391 HA ILE 59 HA ILE 59 4.631 -2.716 9.289 392 HB ILE 59 HB ILE 59 2.685 -1.959 7.118 393 HG12 ILE 59 HG12 ILE 59 2.003 -2.621 9.959 394 HG13 ILE 59 HG13 ILE 59 2.412 -0.985 9.508 395 HG21 ILE 59 HG21 ILE 59 2.882 -4.514 8.699 396 HG22 ILE 59 HG22 ILE 59 1.520 -4.042 7.723 397 HG23 ILE 59 HG23 ILE 59 3.096 -4.331 6.999 398 HD11 ILE 59 HD11 ILE 59 0.065 -1.055 9.433 399 HD12 ILE 59 HD12 ILE 59 0.590 -1.048 7.814 400 HD13 ILE 59 HD13 ILE 59 0.061 -2.519 8.531 401 H ILE 60 H ILE 60 5.104 -1.562 6.016 402 HA ILE 60 HA ILE 60 6.286 -3.605 4.743 403 HB ILE 60 HB ILE 60 7.238 -0.803 4.862 404 HG12 ILE 60 HG12 ILE 60 4.940 -1.705 3.959 405 HG13 ILE 60 HG13 ILE 60 5.799 -0.455 3.120 406 HG21 ILE 60 HG21 ILE 60 9.162 -1.963 3.971 407 HG22 ILE 60 HG22 ILE 60 8.146 -3.008 2.972 408 HG23 ILE 60 HG23 ILE 60 8.300 -1.293 2.624 409 HD11 ILE 60 HD11 ILE 60 5.647 -3.324 2.284 410 HD12 ILE 60 HD12 ILE 60 4.764 -2.017 1.646 411 HD13 ILE 60 HD13 ILE 60 6.474 -2.074 1.435 412 H LYS 61 H LYS 61 8.057 -1.346 6.707 413 HA LYS 61 HA LYS 61 10.611 -2.459 6.609 414 HB2 LYS 61 1HB LYS 61 9.133 -0.534 8.488 415 HB3 LYS 61 2HB LYS 61 10.869 -0.775 8.380 416 HG2 LYS 61 1HG LYS 61 10.539 -0.143 5.863 417 HG3 LYS 61 2HG LYS 61 8.999 0.451 6.428 418 HD2 LYS 61 1HD LYS 61 11.719 1.340 7.442 419 HD3 LYS 61 2HD LYS 61 10.782 2.193 6.294 420 HE2 LYS 61 1HE LYS 61 8.990 2.505 7.924 421 HE3 LYS 61 2HE LYS 61 9.950 1.637 9.038 422 HZ1 LYS 61 1HZ LYS 61 10.681 3.891 8.235 423 HZ2 LYS 61 2HZ LYS 61 10.472 3.926 9.175 424 HZ3 LYS 61 3HZ LYS 61 11.250 3.484 8.855 425 H ALA 62 H ALA 62 8.151 -2.699 8.917 426 HA ALA 62 HA ALA 62 9.458 -4.326 10.918 427 HB1 ALA 62 HB1 ALA 62 7.229 -4.665 11.738 428 HB2 ALA 62 HB2 ALA 62 7.554 -3.026 11.526 429 HB3 ALA 62 HB3 ALA 62 6.586 -3.846 10.407 430 H GLY 63 H GLY 63 7.215 -5.031 8.196 431 HA2 GLY 63 HA2 GLY 63 7.065 -7.720 8.614 432 HA3 GLY 63 HA3 GLY 63 6.666 -6.893 7.145 433 H GLY 64 H GLY 64 9.177 -6.011 6.427 434 HA2 GLY 64 HA2 GLY 64 11.400 -6.783 5.966 435 HA3 GLY 64 HA3 GLY 64 10.842 -8.422 6.099 436 H PHE 65 H PHE 65 8.744 -6.563 4.245 437 HA PHE 65 HA PHE 65 9.070 -8.170 2.005 438 HB2 PHE 65 HB2 PHE 65 7.862 -5.498 1.790 439 HB3 PHE 65 HB3 PHE 65 7.476 -6.975 0.924 440 HD1 PHE 65 HD1 PHE 65 7.260 -5.347 4.172 441 HD2 PHE 65 HD2 PHE 65 5.530 -8.296 1.604 442 HE1 PHE 65 HE1 PHE 65 5.106 -5.097 5.381 443 HE2 PHE 65 HE2 PHE 65 3.459 -8.139 2.835 444 HZ PHE 65 HZ PHE 65 3.191 -6.518 4.649 445 H ALA 68 H ALA 68 6.885 -12.616 4.695 446 HA ALA 68 HA ALA 68 4.828 -13.404 3.084 447 HB1 ALA 68 HB1 ALA 68 6.719 -14.717 3.847 448 HB2 ALA 68 HB2 ALA 68 6.069 -14.765 5.436 449 HB3 ALA 68 HB3 ALA 68 5.240 -15.533 4.140 450 H LYS 69 H LYS 69 4.839 -12.978 6.472 451 HA LYS 69 HA LYS 69 2.029 -13.493 6.707 452 HB2 LYS 69 HB2 LYS 69 3.938 -12.815 8.902 453 HB3 LYS 69 HB3 LYS 69 2.336 -13.486 9.028 454 HG2 LYS 69 HG2 LYS 69 3.041 -15.530 7.922 455 HG3 LYS 69 HG3 LYS 69 4.627 -14.927 7.839 456 HD2 LYS 69 HD2 LYS 69 4.722 -14.675 10.244 457 HD3 LYS 69 HD3 LYS 69 3.194 -15.380 10.287 458 HE2 LYS 69 HE2 LYS 69 3.848 -17.447 9.536 459 HE3 LYS 69 HE3 LYS 69 5.310 -16.797 9.052 460 HZ1 LYS 69 HZ1 LYS 69 4.615 -17.152 11.647 461 HZ2 LYS 69 HZ2 LYS 69 5.652 -17.999 10.952 462 HZ3 LYS 69 HZ3 LYS 69 5.877 -16.498 11.207 463 H ALA 70 H ALA 70 4.112 -10.784 6.889 464 HA ALA 70 HA ALA 70 2.385 -8.830 7.983 465 HB1 ALA 70 HB1 ALA 70 4.068 -7.305 7.105 466 HB2 ALA 70 HB2 ALA 70 4.796 -8.695 7.860 467 HB3 ALA 70 HB3 ALA 70 4.727 -8.612 6.131 468 H ALA 71 H ALA 71 2.568 -10.312 4.929 469 HA ALA 71 HA ALA 71 1.056 -8.404 3.415 470 HB1 ALA 71 HB1 ALA 71 1.021 -10.189 1.783 471 HB2 ALA 71 HB2 ALA 71 2.613 -9.998 2.386 472 HB3 ALA 71 HB3 ALA 71 1.663 -11.307 2.928 473 H ALA 72 H ALA 72 -0.077 -10.103 5.953 474 HA ALA 72 HA ALA 72 -2.814 -9.593 4.965 475 HB1 ALA 72 HB1 ALA 72 -2.615 -11.620 6.248 476 HB2 ALA 72 HB2 ALA 72 -1.923 -10.723 7.563 477 HB3 ALA 72 HB3 ALA 72 -3.577 -10.471 7.080 478 H ALA 73 H ALA 73 -0.666 -8.736 7.607 479 HA ALA 73 HA ALA 73 -2.184 -6.733 8.727 480 HB1 ALA 73 HB1 ALA 73 0.811 -6.923 8.780 481 HB2 ALA 73 HB2 ALA 73 -0.203 -6.158 9.908 482 HB3 ALA 73 HB3 ALA 73 -0.265 -7.851 9.727 483 H ALA 74 H ALA 74 0.093 -6.279 6.060 484 HA ALA 74 HA ALA 74 0.033 -3.402 6.188 485 HB1 ALA 74 HB1 ALA 74 1.783 -4.424 4.941 486 HB2 ALA 74 HB2 ALA 74 1.071 -4.057 3.953 487 HB3 ALA 74 HB3 ALA 74 1.054 -5.286 4.274 488 H ILE 75 H ILE 75 -1.631 -5.888 4.493 489 HA ILE 75 HA ILE 75 -2.965 -4.179 2.645 490 HB ILE 75 HB ILE 75 -3.902 -6.939 3.437 491 HG12 ILE 75 HG12 ILE 75 -1.528 -7.182 3.063 492 HG13 ILE 75 HG13 ILE 75 -2.463 -8.008 1.845 493 HG21 ILE 75 HG21 ILE 75 -5.395 -6.042 1.994 494 HG22 ILE 75 HG22 ILE 75 -4.262 -5.113 1.103 495 HG23 ILE 75 HG23 ILE 75 -4.366 -6.793 0.842 496 HD11 ILE 75 HD11 ILE 75 -1.266 -5.578 1.170 497 HD12 ILE 75 HD12 ILE 75 -1.755 -6.421 0.450 498 HD13 ILE 75 HD13 ILE 75 -0.734 -6.580 0.928 499 H LYS 76 H LYS 76 -3.853 -5.757 5.666 500 HA LYS 76 HA LYS 76 -6.605 -4.894 5.446 501 HB2 LYS 76 HB2 LYS 76 -4.998 -6.338 7.602 502 HB3 LYS 76 HB3 LYS 76 -6.705 -6.024 7.725 503 HG2 LYS 76 HG2 LYS 76 -5.383 -7.696 5.573 504 HG3 LYS 76 HG3 LYS 76 -6.109 -8.351 7.003 505 HD2 LYS 76 HD2 LYS 76 -8.312 -7.449 6.292 506 HD3 LYS 76 HD3 LYS 76 -7.595 -6.838 4.852 507 HE2 LYS 76 HE2 LYS 76 -6.836 -9.061 4.217 508 HE3 LYS 76 HE3 LYS 76 -7.537 -9.672 5.651 509 HZ1 LYS 76 HZ1 LYS 76 -9.052 -8.336 3.583 510 HZ2 LYS 76 HZ2 LYS 76 -8.910 -9.840 3.691 511 HZ3 LYS 76 HZ3 LYS 76 -9.677 -9.051 4.789 512 H ALA 77 H ALA 77 -3.854 -3.497 6.847 513 HA ALA 77 HA ALA 77 -5.373 -1.258 7.909 514 HB1 ALA 77 HB1 ALA 77 -3.244 -0.133 7.793 515 HB2 ALA 77 HB2 ALA 77 -3.024 -1.546 8.490 516 HB3 ALA 77 HB3 ALA 77 -2.581 -1.344 6.950 517 H ILE 78 H ILE 78 -3.509 -1.637 4.896 518 HA ILE 78 HA ILE 78 -4.312 0.962 4.177 519 HB ILE 78 HB ILE 78 -2.226 -0.396 3.758 520 HG12 ILE 78 HG12 ILE 78 -2.342 1.891 3.313 521 HG13 ILE 78 HG13 ILE 78 -1.365 1.026 2.170 522 HG21 ILE 78 HG21 ILE 78 -3.508 -0.928 1.103 523 HG22 ILE 78 HG22 ILE 78 -1.894 -1.430 1.645 524 HG23 ILE 78 HG23 ILE 78 -3.324 -2.119 2.316 525 HD11 ILE 78 HD11 ILE 78 -3.136 1.234 0.496 526 HD12 ILE 78 HD12 ILE 78 -4.031 2.197 1.599 527 HD13 ILE 78 HD13 ILE 78 -2.515 2.744 1.031 528 H ALA 79 H ALA 79 -5.584 -2.110 3.014 529 HA ALA 79 HA ALA 79 -7.161 -0.830 0.938 530 HB1 ALA 79 HB1 ALA 79 -6.591 -3.225 0.945 531 HB2 ALA 79 HB2 ALA 79 -7.623 -3.473 2.326 532 HB3 ALA 79 HB3 ALA 79 -8.275 -2.991 0.780 533 H ALA 80 H ALA 80 -7.640 -1.310 4.301 534 HA ALA 80 HA ALA 80 -10.504 -0.740 4.288 535 HB1 ALA 80 HB1 ALA 80 -8.549 -1.064 6.578 536 HB2 ALA 80 HB2 ALA 80 -10.263 -0.876 6.706 537 HB3 ALA 80 HB3 ALA 80 -9.631 -2.281 5.940 538 H ILE 81 H ILE 81 -7.505 0.876 5.003 539 HA ILE 81 HA ILE 81 -8.542 3.441 5.720 540 HB ILE 81 HB ILE 81 -5.813 2.617 4.734 541 HG12 ILE 81 HG12 ILE 81 -6.597 3.444 7.518 542 HG13 ILE 81 HG13 ILE 81 -6.763 1.783 7.060 543 HG21 ILE 81 HG21 ILE 81 -6.064 4.911 4.259 544 HG22 ILE 81 HG22 ILE 81 -6.770 5.238 5.808 545 HG23 ILE 81 HG23 ILE 81 -5.076 4.758 5.695 546 HD11 ILE 81 HD11 ILE 81 -4.714 1.911 8.098 547 HD12 ILE 81 HD12 ILE 81 -4.317 1.753 6.443 548 HD13 ILE 81 HD13 ILE 81 -4.232 3.345 7.219 549 H ILE 82 H ILE 82 -7.306 2.198 2.614 550 HA ILE 82 HA ILE 82 -8.127 4.221 1.000 551 HB ILE 82 HB ILE 82 -7.922 1.296 0.527 552 HG12 ILE 82 HG12 ILE 82 -6.496 3.754 -0.499 553 HG13 ILE 82 HG13 ILE 82 -5.956 2.738 0.820 554 HG21 ILE 82 HG21 ILE 82 -8.610 3.328 -1.598 555 HG22 ILE 82 HG22 ILE 82 -8.275 1.623 -1.850 556 HG23 ILE 82 HG23 ILE 82 -9.736 2.072 -1.061 557 HD11 ILE 82 HD11 ILE 82 -4.687 2.197 -1.122 558 HD12 ILE 82 HD12 ILE 82 -5.756 0.844 -0.795 559 HD13 ILE 82 HD13 ILE 82 -6.115 2.020 -2.089 560 H LYS 83 H LYS 83 -10.191 1.584 1.956 561 HA LYS 83 HA LYS 83 -12.581 2.518 0.737 562 HB2 LYS 83 1HB LYS 83 -12.347 0.262 1.434 563 HB3 LYS 83 2HB LYS 83 -11.913 0.717 3.059 564 HG2 LYS 83 1HG LYS 83 -14.071 -0.183 3.147 565 HG3 LYS 83 2HG LYS 83 -14.175 1.518 3.442 566 HD2 LYS 83 1HD LYS 83 -15.944 1.212 1.986 567 HD3 LYS 83 2HD LYS 83 -14.742 1.588 0.876 568 HE2 LYS 83 1HE LYS 83 -14.227 -0.653 0.437 569 HE3 LYS 83 2HE LYS 83 -15.465 -1.013 1.507 570 HZ1 LYS 83 1HZ LYS 83 -16.737 -0.655 -0.198 571 HZ2 LYS 83 2HZ LYS 83 -16.444 0.089 -0.308 572 HZ3 LYS 83 3HZ LYS 83 -16.118 -0.505 -0.665 573 H ALA 84 H ALA 84 -11.057 3.623 3.634 574 HA ALA 84 HA ALA 84 -13.354 5.210 4.448 575 HB1 ALA 84 HB1 ALA 84 -11.910 5.994 6.155 576 HB2 ALA 84 HB2 ALA 84 -12.061 4.279 6.121 577 HB3 ALA 84 HB3 ALA 84 -10.672 4.992 5.543 578 H GLY 85 H GLY 85 -10.181 5.732 3.015 579 HA2 GLY 85 HA2 GLY 85 -10.367 8.540 2.946 580 HA3 GLY 85 HA3 GLY 85 -9.199 7.550 2.136 581 H GLY 86 H GLY 86 -10.949 6.149 0.427 582 HA2 GLY 86 HA2 GLY 86 -12.396 6.429 -1.368 583 HA3 GLY 86 HA3 GLY 86 -12.341 8.135 -1.211 584 H PHE 87 H PHE 87 -9.346 6.313 -1.318 585 HA PHE 87 HA PHE 87 -8.248 7.761 -3.492 586 HB2 PHE 87 HB2 PHE 87 -7.380 5.123 -2.460 587 HB3 PHE 87 HB3 PHE 87 -6.464 6.383 -3.266 588 HD1 PHE 87 HD1 PHE 87 -8.328 5.819 -0.119 589 HD2 PHE 87 HD2 PHE 87 -5.072 7.760 -2.051 590 HE1 PHE 87 HE1 PHE 87 -7.047 5.714 1.976 591 HE2 PHE 87 HE2 PHE 87 -3.876 7.869 0.058 592 HZ PHE 87 HZ PHE 87 -4.835 6.784 2.081 593 H1 ACE 1 H1 ACE 1 5.199 13.701 -0.990 594 H2 ACE 1 H2 ACE 1 5.103 14.187 -1.491 595 H3 ACE 1 H3 ACE 1 4.740 14.233 -0.895 596 HN1 NH2 22 HN1 NH2 22 -7.473 -7.363 0.375 597 HN2 NH2 22 HN2 NH2 22 -7.323 -8.343 -0.999 598 H1 ACE 23 H1 ACE 23 1.204 -13.971 0.132 599 H2 ACE 23 H2 ACE 23 1.367 -12.890 0.523 600 H3 ACE 23 H3 ACE 23 1.183 -13.767 1.247 601 HN1 NH2 44 HN1 NH2 44 5.573 10.611 4.264 602 HN2 NH2 44 HN2 NH2 44 6.137 9.565 3.013 603 H1 ACE 45 H1 ACE 45 -9.130 10.711 -2.431 604 H2 ACE 45 H2 ACE 45 -9.693 10.364 -1.667 605 H3 ACE 45 H3 ACE 45 -9.455 11.335 -1.741 606 HN1 NH2 66 HN1 NH2 66 11.005 -4.705 0.991 607 HN2 NH2 66 HN2 NH2 66 10.002 -4.749 2.334 608 H1 ACE 67 H1 ACE 67 6.828 -9.851 5.305 609 H2 ACE 67 H2 ACE 67 7.035 -10.110 5.376 610 H3 ACE 67 H3 ACE 67 6.998 -9.999 5.031 611 HN1 NH2 88 HN1 NH2 88 -8.444 5.500 -6.241 612 HN2 NH2 88 HN2 NH2 88 -7.440 6.678 -5.467 Start of MODEL 7 1 H1 ALA 2 H1 ALA 2 2.822 14.053 -1.116 2 HA ALA 2 HA ALA 2 1.697 11.594 -1.938 3 HB1 ALA 2 HB1 ALA 2 -0.297 12.589 -1.074 4 HB2 ALA 2 HB2 ALA 2 0.947 12.700 0.014 5 HB3 ALA 2 HB3 ALA 2 0.437 14.045 -0.831 6 H LYS 3 H LYS 3 2.541 14.134 -3.740 7 HA LYS 3 HA LYS 3 0.544 14.323 -5.701 8 HB2 LYS 3 HB2 LYS 3 3.534 14.238 -6.001 9 HB3 LYS 3 HB3 LYS 3 2.458 14.832 -7.202 10 HG2 LYS 3 HG2 LYS 3 2.978 16.034 -4.493 11 HG3 LYS 3 HG3 LYS 3 3.470 16.640 -6.047 12 HD2 LYS 3 HD2 LYS 3 0.641 16.495 -5.108 13 HD3 LYS 3 HD3 LYS 3 1.676 17.911 -5.136 14 HE2 LYS 3 HE2 LYS 3 1.919 17.704 -7.568 15 HE3 LYS 3 HE3 LYS 3 0.836 16.371 -7.545 16 HZ1 LYS 3 HZ1 LYS 3 0.135 18.949 -6.881 17 HZ2 LYS 3 HZ2 LYS 3 -0.327 18.191 -7.957 18 HZ3 LYS 3 HZ3 LYS 3 -0.743 17.882 -6.651 19 H ALA 4 H ALA 4 2.786 11.802 -5.030 20 HA ALA 4 HA ALA 4 2.208 10.206 -7.319 21 HB1 ALA 4 HB1 ALA 4 4.302 10.198 -6.173 22 HB2 ALA 4 HB2 ALA 4 3.585 9.642 -4.719 23 HB3 ALA 4 HB3 ALA 4 3.629 8.618 -6.069 24 H ALA 5 H ALA 5 0.234 10.787 -4.768 25 HA ALA 5 HA ALA 5 -0.507 8.066 -4.116 26 HB1 ALA 5 HB1 ALA 5 -1.603 9.049 -2.258 27 HB2 ALA 5 HB2 ALA 5 -0.083 9.851 -2.450 28 HB3 ALA 5 HB3 ALA 5 -1.560 10.634 -2.962 29 H ALA 6 H ALA 6 -1.390 9.444 -6.744 30 HA ALA 6 HA ALA 6 -3.847 7.855 -6.587 31 HB1 ALA 6 HB1 ALA 6 -4.264 8.659 -8.904 32 HB2 ALA 6 HB2 ALA 6 -4.343 9.898 -7.738 33 HB3 ALA 6 HB3 ALA 6 -2.972 9.768 -8.732 34 H ALA 7 H ALA 7 -0.830 8.344 -8.353 35 HA ALA 7 HA ALA 7 -0.973 6.115 -9.972 36 HB1 ALA 7 1HB ALA 7 0.986 7.142 -10.279 37 HB2 ALA 7 2HB ALA 7 1.025 7.779 -9.696 38 HB3 ALA 7 3HB ALA 7 1.468 7.080 -9.531 39 H ALA 8 H ALA 8 0.254 6.264 -6.689 40 HA ALA 8 HA ALA 8 1.417 3.640 -6.601 41 HB1 ALA 8 HB1 ALA 8 1.693 4.440 -4.423 42 HB2 ALA 8 HB2 ALA 8 0.586 4.976 -4.304 43 HB3 ALA 8 HB3 ALA 8 1.488 5.555 -4.904 44 H ILE 9 H ILE 9 -1.643 5.058 -5.743 45 HA ILE 9 HA ILE 9 -2.683 2.800 -4.337 46 HB ILE 9 HB ILE 9 -4.248 5.063 -5.480 47 HG12 ILE 9 HG12 ILE 9 -2.359 6.019 -4.272 48 HG13 ILE 9 HG13 ILE 9 -3.909 6.316 -3.509 49 HG21 ILE 9 HG21 ILE 9 -5.709 3.757 -4.587 50 HG22 ILE 9 HG22 ILE 9 -4.876 2.998 -3.693 51 HG23 ILE 9 HG23 ILE 9 -5.377 4.268 -3.232 52 HD11 ILE 9 HD11 ILE 9 -3.468 4.841 -1.766 53 HD12 ILE 9 HD12 ILE 9 -2.124 4.124 -2.553 54 HD13 ILE 9 HD13 ILE 9 -1.985 5.706 -1.996 55 H LYS 10 H LYS 10 -3.034 4.103 -7.522 56 HA LYS 10 HA LYS 10 -5.177 2.369 -8.429 57 HB2 LYS 10 HB2 LYS 10 -3.265 4.357 -9.734 58 HB3 LYS 10 HB3 LYS 10 -4.431 3.440 -10.660 59 HG2 LYS 10 HG2 LYS 10 -6.273 4.372 -9.371 60 HG3 LYS 10 HG3 LYS 10 -5.119 5.278 -8.413 61 HD2 LYS 10 HD2 LYS 10 -5.959 6.809 -9.978 62 HD3 LYS 10 HD3 LYS 10 -4.373 6.395 -10.508 63 HE2 LYS 10 HE2 LYS 10 -5.283 4.795 -12.107 64 HE3 LYS 10 HE3 LYS 10 -6.842 5.213 -11.632 65 HZ1 LYS 10 HZ1 LYS 10 -5.827 7.439 -12.478 66 HZ2 LYS 10 HZ2 LYS 10 -6.489 6.671 -12.943 67 HZ3 LYS 10 HZ3 LYS 10 -5.503 6.604 -13.085 68 H ALA 11 H ALA 11 -1.770 2.066 -8.387 69 HA ALA 11 HA ALA 11 -1.830 -0.432 -9.836 70 HB1 ALA 11 HB1 ALA 11 0.263 0.636 -7.959 71 HB2 ALA 11 HB2 ALA 11 0.436 -0.678 -9.120 72 HB3 ALA 11 HB3 ALA 11 0.189 0.918 -9.678 73 H ILE 12 H ILE 12 -1.520 0.439 -6.328 74 HA ILE 12 HA ILE 12 -1.453 -2.328 -5.694 75 HB ILE 12 HB ILE 12 -0.353 -0.427 -4.461 76 HG12 ILE 12 HG12 ILE 12 -1.916 -2.636 -3.202 77 HG13 ILE 12 HG13 ILE 12 -0.283 -2.634 -3.727 78 HG21 ILE 12 HG21 ILE 12 -1.539 0.711 -2.717 79 HG22 ILE 12 HG22 ILE 12 -2.540 0.851 -4.166 80 HG23 ILE 12 HG23 ILE 12 -2.939 -0.318 -2.936 81 HD11 ILE 12 HD11 ILE 12 -1.013 -1.210 -1.419 82 HD12 ILE 12 HD12 ILE 12 -0.554 -2.524 -1.367 83 HD13 ILE 12 HD13 ILE 12 0.300 -1.475 -1.830 84 H ALA 13 H ALA 13 -4.196 -0.081 -5.547 85 HA ALA 13 HA ALA 13 -5.868 -2.018 -4.238 86 HB1 ALA 13 HB1 ALA 13 -7.698 -0.566 -4.892 87 HB2 ALA 13 HB2 ALA 13 -6.402 0.322 -4.218 88 HB3 ALA 13 HB3 ALA 13 -6.638 0.342 -5.955 89 H ALA 14 H ALA 14 -4.874 -1.637 -7.466 90 HA ALA 14 HA ALA 14 -6.949 -3.344 -8.663 91 HB1 ALA 14 HB1 ALA 14 -6.144 -1.480 -9.990 92 HB2 ALA 14 HB2 ALA 14 -4.517 -2.099 -9.958 93 HB3 ALA 14 HB3 ALA 14 -5.823 -2.997 -10.694 94 H ILE 15 H ILE 15 -3.623 -3.485 -7.736 95 HA ILE 15 HA ILE 15 -3.129 -6.195 -8.568 96 HB ILE 15 HB ILE 15 -1.711 -4.456 -6.587 97 HG12 ILE 15 HG12 ILE 15 -0.720 -5.378 -9.278 98 HG13 ILE 15 HG13 ILE 15 -1.758 -3.976 -9.162 99 HG21 ILE 15 HG21 ILE 15 -1.224 -6.786 -6.083 100 HG22 ILE 15 HG22 ILE 15 -0.843 -7.096 -7.728 101 HG23 ILE 15 HG23 ILE 15 0.159 -6.055 -6.779 102 HD11 ILE 15 HD11 ILE 15 -0.094 -2.873 -7.694 103 HD12 ILE 15 HD12 ILE 15 0.914 -4.213 -7.957 104 HD13 ILE 15 HD13 ILE 15 0.452 -3.186 -9.248 105 H ILE 16 H ILE 16 -4.114 -4.762 -5.406 106 HA ILE 16 HA ILE 16 -4.631 -7.087 -4.085 107 HB ILE 16 HB ILE 16 -5.774 -4.358 -3.926 108 HG12 ILE 16 HG12 ILE 16 -3.839 -5.989 -2.287 109 HG13 ILE 16 HG13 ILE 16 -3.405 -4.710 -3.343 110 HG21 ILE 16 HG21 ILE 16 -7.521 -5.871 -2.975 111 HG22 ILE 16 HG22 ILE 16 -6.291 -6.571 -1.942 112 HG23 ILE 16 HG23 ILE 16 -6.793 -4.893 -1.759 113 HD11 ILE 16 HD11 ILE 16 -3.290 -3.945 -1.059 114 HD12 ILE 16 HD12 ILE 16 -4.704 -3.154 -1.813 115 HD13 ILE 16 HD13 ILE 16 -4.884 -4.533 -0.724 116 H LYS 17 H LYS 17 -6.819 -5.405 -6.212 117 HA LYS 17 HA LYS 17 -9.024 -7.106 -5.996 118 HB2 LYS 17 HB2 LYS 17 -9.224 -4.954 -6.871 119 HB3 LYS 17 HB3 LYS 17 -7.984 -5.230 -8.060 120 HG2 LYS 17 HG2 LYS 17 -10.088 -5.129 -9.179 121 HG3 LYS 17 HG3 LYS 17 -9.492 -6.748 -9.251 122 HD2 LYS 17 HD2 LYS 17 -10.983 -7.124 -7.116 123 HD3 LYS 17 HD3 LYS 17 -11.695 -5.712 -7.645 124 HE2 LYS 17 HE2 LYS 17 -12.078 -6.428 -9.738 125 HE3 LYS 17 HE3 LYS 17 -11.422 -7.761 -9.152 126 HZ1 LYS 17 HZ1 LYS 17 -13.713 -6.983 -8.333 127 HZ2 LYS 17 HZ2 LYS 17 -13.691 -8.007 -9.088 128 HZ3 LYS 17 HZ3 LYS 17 -13.149 -8.026 -7.891 129 H ALA 18 H ALA 18 -6.058 -7.634 -7.726 130 HA ALA 18 HA ALA 18 -7.051 -10.034 -9.016 131 HB1 ALA 18 HB1 ALA 18 -4.300 -8.882 -8.849 132 HB2 ALA 18 HB2 ALA 18 -4.779 -10.222 -9.879 133 HB3 ALA 18 HB3 ALA 18 -5.428 -8.645 -10.150 134 H GLY 19 H GLY 19 -4.742 -9.214 -6.417 135 HA2 GLY 19 HA2 GLY 19 -4.045 -11.836 -5.817 136 HA3 GLY 19 HA3 GLY 19 -3.860 -10.469 -4.733 137 H GLY 20 H GLY 20 -6.605 -9.893 -4.300 138 HA2 GLY 20 HA2 GLY 20 -8.290 -10.477 -2.910 139 HA3 GLY 20 HA3 GLY 20 -7.957 -12.136 -3.137 140 H PHE 21 H PHE 21 -5.825 -9.580 -1.908 141 HA PHE 21 HA PHE 21 -4.529 -10.936 0.047 142 HB2 PHE 21 HB2 PHE 21 -5.130 -8.064 -0.323 143 HB3 PHE 21 HB3 PHE 21 -4.092 -8.713 0.927 144 HD1 PHE 21 HD1 PHE 21 -4.574 -8.394 -2.661 145 HD2 PHE 21 HD2 PHE 21 -1.848 -9.394 0.406 146 HE1 PHE 21 HE1 PHE 21 -2.683 -7.742 -4.143 147 HE2 PHE 21 HE2 PHE 21 0.030 -8.895 -1.042 148 HZ PHE 21 HZ PHE 21 -0.392 -8.050 -3.375 149 H ALA 24 H ALA 24 -1.551 -14.142 0.078 150 HA ALA 24 HA ALA 24 0.074 -11.988 -0.799 151 HB1 ALA 24 HB1 ALA 24 0.701 -14.291 1.018 152 HB2 ALA 24 HB2 ALA 24 1.727 -12.893 0.794 153 HB3 ALA 24 HB3 ALA 24 0.095 -12.719 1.454 154 H LYS 25 H LYS 25 -0.445 -14.917 -2.203 155 HA LYS 25 HA LYS 25 1.944 -15.295 -3.664 156 HB2 LYS 25 HB2 LYS 25 -0.961 -15.548 -4.446 157 HB3 LYS 25 HB3 LYS 25 0.373 -16.012 -5.482 158 HG2 LYS 25 HG2 LYS 25 1.135 -17.672 -4.036 159 HG3 LYS 25 HG3 LYS 25 0.081 -17.180 -2.859 160 HD2 LYS 25 HD2 LYS 25 -1.809 -17.852 -4.060 161 HD3 LYS 25 HD3 LYS 25 -0.738 -18.252 -5.275 162 HE2 LYS 25 HE2 LYS 25 0.326 -19.965 -4.024 163 HE3 LYS 25 HE3 LYS 25 -0.677 -19.537 -2.734 164 HZ1 LYS 25 HZ1 LYS 25 -1.504 -21.420 -3.786 165 HZ2 LYS 25 HZ2 LYS 25 -2.421 -20.274 -3.855 166 HZ3 LYS 25 HZ3 LYS 25 -1.634 -20.637 -4.998 167 H ALA 26 H ALA 26 -0.404 -12.827 -3.959 168 HA ALA 26 HA ALA 26 0.715 -11.573 -6.294 169 HB1 ALA 26 HB1 ALA 26 -1.713 -11.673 -5.747 170 HB2 ALA 26 HB2 ALA 26 -1.369 -10.764 -4.340 171 HB3 ALA 26 HB3 ALA 26 -1.151 -10.038 -5.873 172 H ALA 27 H ALA 27 1.769 -11.568 -3.133 173 HA ALA 27 HA ALA 27 1.571 -8.889 -2.485 174 HB1 ALA 27 HB1 ALA 27 1.845 -10.590 -0.835 175 HB2 ALA 27 HB2 ALA 27 3.455 -10.947 -1.377 176 HB3 ALA 27 HB3 ALA 27 3.096 -9.398 -0.652 177 H ALA 28 H ALA 28 4.509 -10.380 -3.796 178 HA ALA 28 HA ALA 28 6.131 -8.121 -3.514 179 HB1 ALA 28 HB1 ALA 28 7.612 -9.171 -5.038 180 HB2 ALA 28 HB2 ALA 28 6.773 -10.451 -4.167 181 HB3 ALA 28 HB3 ALA 28 6.341 -10.030 -5.805 182 H ALA 29 H ALA 29 3.811 -8.778 -6.037 183 HA ALA 29 HA ALA 29 4.519 -6.545 -7.681 184 HB1 ALA 29 HB1 ALA 29 2.232 -6.836 -8.623 185 HB2 ALA 29 HB2 ALA 29 3.129 -8.273 -8.579 186 HB3 ALA 29 HB3 ALA 29 1.879 -7.941 -7.425 187 H ALA 30 H ALA 30 2.361 -6.743 -4.821 188 HA ALA 30 HA ALA 30 1.277 -4.121 -5.259 189 HB1 ALA 30 HB1 ALA 30 0.976 -5.828 -2.990 190 HB2 ALA 30 HB2 ALA 30 0.193 -4.883 -3.257 191 HB3 ALA 30 HB3 ALA 30 0.187 -5.915 -3.979 192 H ILE 31 H ILE 31 3.692 -5.690 -3.161 193 HA ILE 31 HA ILE 31 4.317 -3.382 -1.621 194 HB ILE 31 HB ILE 31 6.251 -5.536 -2.380 195 HG12 ILE 31 1HG1 ILE 31 4.567 -6.874 -1.496 196 HG13 ILE 31 2HG1 ILE 31 5.644 -6.634 -0.177 197 HG21 ILE 31 1HG2 ILE 31 7.230 -4.305 -0.773 198 HG22 ILE 31 2HG2 ILE 31 6.597 -3.707 -0.494 199 HG23 ILE 31 3HG2 ILE 31 6.652 -4.538 -0.090 200 HD11 ILE 31 1HD1 ILE 31 3.532 -5.830 0.508 201 HD12 ILE 31 2HD1 ILE 31 3.664 -5.259 0.301 202 HD13 ILE 31 3HD1 ILE 31 3.253 -5.602 0.018 203 H LYS 32 H LYS 32 5.799 -4.697 -4.528 204 HA LYS 32 HA LYS 32 7.836 -2.723 -4.779 205 HB2 LYS 32 HB2 LYS 32 6.549 -4.633 -6.749 206 HB3 LYS 32 HB3 LYS 32 7.831 -3.543 -7.216 207 HG2 LYS 32 HG2 LYS 32 9.255 -4.524 -5.387 208 HG3 LYS 32 HG3 LYS 32 8.047 -5.717 -5.070 209 HD2 LYS 32 HD2 LYS 32 9.452 -5.322 -7.726 210 HD3 LYS 32 HD3 LYS 32 9.807 -6.534 -6.527 211 HE2 LYS 32 HE2 LYS 32 7.601 -7.551 -6.834 212 HE3 LYS 32 HE3 LYS 32 7.200 -6.306 -7.983 213 HZ1 LYS 32 HZ1 LYS 32 8.042 -7.826 -9.245 214 HZ2 LYS 32 HZ2 LYS 32 8.760 -8.299 -8.599 215 HZ3 LYS 32 HZ3 LYS 32 9.053 -7.388 -9.110 216 H ALA 33 H ALA 33 4.630 -2.848 -6.124 217 HA ALA 33 HA ALA 33 4.870 -0.346 -7.456 218 HB1 ALA 33 HB1 ALA 33 2.326 -1.868 -6.735 219 HB2 ALA 33 HB2 ALA 33 2.508 -0.599 -7.894 220 HB3 ALA 33 HB3 ALA 33 3.253 -2.121 -8.190 221 H ILE 34 H ILE 34 4.582 -0.830 -4.207 222 HA ILE 34 HA ILE 34 3.738 1.971 -3.884 223 HB ILE 34 HB ILE 34 2.456 -0.289 -3.016 224 HG12 ILE 34 HG12 ILE 34 1.483 1.786 -3.583 225 HG13 ILE 34 HG13 ILE 34 0.848 1.058 -2.128 226 HG21 ILE 34 HG21 ILE 34 2.354 -0.285 -0.634 227 HG22 ILE 34 HG22 ILE 34 3.891 -0.751 -1.210 228 HG23 ILE 34 HG23 ILE 34 3.639 0.826 -0.527 229 HD11 ILE 34 HD11 ILE 34 1.030 3.443 -1.836 230 HD12 ILE 34 HD12 ILE 34 2.064 2.656 -0.769 231 HD13 ILE 34 HD13 ILE 34 2.714 3.365 -2.197 232 H ALA 35 H ALA 35 5.986 -0.403 -2.361 233 HA ALA 35 HA ALA 35 6.986 1.700 -0.708 234 HB1 ALA 35 HB1 ALA 35 8.443 -0.129 -0.226 235 HB2 ALA 35 HB2 ALA 35 8.079 -0.782 -1.159 236 HB3 ALA 35 HB3 ALA 35 7.366 -0.623 -0.274 237 H ALA 36 H ALA 36 7.878 0.566 -3.855 238 HA ALA 36 HA ALA 36 10.406 2.049 -3.932 239 HB1 ALA 36 HB1 ALA 36 10.535 1.227 -6.243 240 HB2 ALA 36 HB2 ALA 36 10.072 -0.091 -5.235 241 HB3 ALA 36 HB3 ALA 36 8.893 0.745 -6.193 242 H ILE 37 H ILE 37 7.080 2.519 -4.850 243 HA ILE 37 HA ILE 37 7.487 4.934 -6.358 244 HB ILE 37 HB ILE 37 5.177 3.356 -5.353 245 HG12 ILE 37 HG12 ILE 37 4.541 3.475 -7.769 246 HG13 ILE 37 HG13 ILE 37 6.006 4.364 -8.080 247 HG21 ILE 37 HG21 ILE 37 4.963 6.151 -6.396 248 HG22 ILE 37 HG22 ILE 37 3.639 4.999 -6.429 249 HG23 ILE 37 HG23 ILE 37 4.314 5.486 -4.917 250 HD11 ILE 37 HD11 ILE 37 5.977 1.856 -8.544 251 HD12 ILE 37 HD12 ILE 37 7.361 2.480 -7.734 252 HD13 ILE 37 HD13 ILE 37 6.149 1.642 -6.795 253 H ILE 38 H ILE 38 6.416 4.184 -3.009 254 HA ILE 38 HA ILE 38 6.474 6.796 -2.029 255 HB ILE 38 HB ILE 38 7.186 4.152 -0.745 256 HG12 ILE 38 HG12 ILE 38 4.786 6.013 -0.574 257 HG13 ILE 38 HG13 ILE 38 4.833 4.631 -1.627 258 HG21 ILE 38 HG21 ILE 38 8.174 5.958 0.653 259 HG22 ILE 38 HG22 ILE 38 6.615 6.774 0.694 260 HG23 ILE 38 HG23 ILE 38 6.873 5.203 1.449 261 HD11 ILE 38 HD11 ILE 38 3.517 4.116 0.260 262 HD12 ILE 38 HD12 ILE 38 5.021 3.188 0.430 263 HD13 ILE 38 HD13 ILE 38 4.716 4.610 1.384 264 H LYS 39 H LYS 39 9.257 4.692 -2.325 265 HA LYS 39 HA LYS 39 11.151 6.467 -1.261 266 HB2 LYS 39 1HB LYS 39 11.517 4.131 -1.561 267 HB3 LYS 39 2HB LYS 39 11.220 4.249 -3.270 268 HG2 LYS 39 1HG LYS 39 13.545 3.985 -3.012 269 HG3 LYS 39 2HG LYS 39 13.266 5.629 -3.472 270 HD2 LYS 39 1HD LYS 39 13.264 5.274 -0.578 271 HD3 LYS 39 2HD LYS 39 14.685 4.759 -1.304 272 HE2 LYS 39 1HE LYS 39 15.067 6.740 -2.381 273 HE3 LYS 39 2HE LYS 39 13.644 7.206 -1.641 274 HZ1 LYS 39 1HZ LYS 39 15.157 7.422 -0.003 275 HZ2 LYS 39 2HZ LYS 39 15.405 6.989 -0.056 276 HZ3 LYS 39 3HZ LYS 39 15.557 7.410 -0.291 277 H ALA 40 H ALA 40 9.605 6.542 -4.358 278 HA ALA 40 HA ALA 40 11.312 8.698 -5.318 279 HB1 ALA 40 1HB ALA 40 9.394 8.078 -6.961 280 HB2 ALA 40 2HB ALA 40 10.167 7.741 -7.087 281 HB3 ALA 40 3HB ALA 40 9.636 7.350 -6.693 282 H GLY 41 H GLY 41 7.910 8.330 -4.233 283 HA2 GLY 41 HA2 GLY 41 7.111 10.939 -4.668 284 HA3 GLY 41 HA3 GLY 41 6.342 9.751 -3.658 285 H GLY 42 H GLY 42 8.032 9.430 -1.573 286 HA2 GLY 42 HA2 GLY 42 8.743 10.423 0.392 287 HA3 GLY 42 HA3 GLY 42 8.666 11.986 -0.394 288 H PHE 43 H PHE 43 6.268 9.479 0.318 289 HA PHE 43 HA PHE 43 4.033 11.073 0.088 290 HB2 PHE 43 HB2 PHE 43 4.548 8.394 1.176 291 HB3 PHE 43 HB3 PHE 43 2.989 9.183 1.343 292 HD1 PHE 43 HD1 PHE 43 5.556 8.466 -1.311 293 HD2 PHE 43 HD2 PHE 43 1.407 8.813 -0.288 294 HE1 PHE 43 HE1 PHE 43 4.943 7.372 -3.429 295 HE2 PHE 43 HE2 PHE 43 0.838 7.744 -2.436 296 HZ PHE 43 HZ PHE 43 2.626 7.124 -4.047 297 H ALA 46 H ALA 46 -6.513 11.994 -2.489 298 HA ALA 46 HA ALA 46 -4.754 10.598 -0.840 299 HB1 ALA 46 HB1 ALA 46 -3.095 12.085 -1.764 300 HB2 ALA 46 HB2 ALA 46 -4.090 11.271 -2.951 301 HB3 ALA 46 HB3 ALA 46 -4.371 12.952 -2.556 302 H LYS 47 H LYS 47 -6.602 13.238 -0.023 303 HA LYS 47 HA LYS 47 -5.102 14.325 2.120 304 HB2 LYS 47 HB2 LYS 47 -8.064 13.867 1.832 305 HB3 LYS 47 HB3 LYS 47 -7.325 14.798 3.076 306 HG2 LYS 47 HG2 LYS 47 -6.275 16.256 1.359 307 HG3 LYS 47 HG3 LYS 47 -7.248 15.425 0.199 308 HD2 LYS 47 HD2 LYS 47 -9.305 16.008 1.334 309 HD3 LYS 47 HD3 LYS 47 -8.362 16.799 2.560 310 HE2 LYS 47 HE2 LYS 47 -7.360 18.234 0.765 311 HE3 LYS 47 HE3 LYS 47 -8.525 17.645 -0.117 312 HZ1 LYS 47 HZ1 LYS 47 -9.920 18.362 1.071 313 HZ2 LYS 47 HZ2 LYS 47 -9.154 19.504 0.498 314 HZ3 LYS 47 HZ3 LYS 47 -8.963 18.870 1.829 315 H ALA 48 H ALA 48 -6.673 11.226 1.832 316 HA ALA 48 HA ALA 48 -6.348 10.496 4.585 317 HB1 ALA 48 HB1 ALA 48 -8.182 9.665 3.156 318 HB2 ALA 48 HB2 ALA 48 -7.005 8.940 2.095 319 HB3 ALA 48 HB3 ALA 48 -7.217 8.385 3.717 320 H ALA 49 H ALA 49 -4.047 10.852 2.154 321 HA ALA 49 HA ALA 49 -2.856 8.300 2.277 322 HB1 ALA 49 HB1 ALA 49 -2.569 9.809 0.390 323 HB2 ALA 49 HB2 ALA 49 -1.608 10.846 1.354 324 HB3 ALA 49 HB3 ALA 49 -1.062 9.255 0.993 325 H ALA 50 H ALA 50 -2.128 11.157 4.222 326 HA ALA 50 HA ALA 50 0.180 10.029 5.337 327 HB1 ALA 50 HB1 ALA 50 -1.718 12.009 6.614 328 HB2 ALA 50 HB2 ALA 50 -0.068 11.669 7.106 329 HB3 ALA 50 HB3 ALA 50 -0.387 12.404 5.576 330 H ALA 51 H ALA 51 -3.002 9.214 6.002 331 HA ALA 51 HA ALA 51 -2.484 7.632 8.376 332 HB1 ALA 51 HB1 ALA 51 -4.774 7.024 8.175 333 HB2 ALA 51 HB2 ALA 51 -4.625 8.732 8.021 334 HB3 ALA 51 HB3 ALA 51 -4.902 7.771 6.602 335 H ALA 52 H ALA 52 -2.927 6.912 4.904 336 HA ALA 52 HA ALA 52 -3.019 4.076 5.380 337 HB1 ALA 52 HB1 ALA 52 -3.195 4.061 2.965 338 HB2 ALA 52 HB2 ALA 52 -4.164 5.297 3.599 339 HB3 ALA 52 HB3 ALA 52 -2.701 5.672 2.850 340 H ILE 53 H ILE 53 -0.700 6.367 4.098 341 HA ILE 53 HA ILE 53 1.243 4.434 3.267 342 HB ILE 53 HB ILE 53 1.539 7.332 3.909 343 HG12 ILE 53 HG12 ILE 53 -0.281 7.056 2.332 344 HG13 ILE 53 HG13 ILE 53 1.046 7.908 1.625 345 HG21 ILE 53 HG21 ILE 53 3.233 6.229 1.978 346 HG22 ILE 53 HG22 ILE 53 3.477 7.108 2.884 347 HG23 ILE 53 HG23 ILE 53 3.465 5.848 3.201 348 HD11 ILE 53 HD11 ILE 53 1.644 6.009 0.270 349 HD12 ILE 53 HD12 ILE 53 0.537 4.978 1.100 350 HD13 ILE 53 HD13 ILE 53 -0.050 6.304 0.148 351 H LYS 54 H LYS 54 0.846 6.539 6.092 352 HA LYS 54 HA LYS 54 3.377 5.712 7.245 353 HB2 LYS 54 HB2 LYS 54 1.006 7.288 8.309 354 HB3 LYS 54 HB3 LYS 54 2.431 6.905 9.237 355 HG2 LYS 54 HG2 LYS 54 3.674 7.995 7.154 356 HG3 LYS 54 HG3 LYS 54 2.142 8.747 6.882 357 HD2 LYS 54 HD2 LYS 54 3.765 8.963 9.409 358 HD3 LYS 54 HD3 LYS 54 3.577 10.164 8.136 359 HE2 LYS 54 HE2 LYS 54 1.220 10.399 8.572 360 HE3 LYS 54 HE3 LYS 54 1.368 9.205 9.827 361 HZ1 LYS 54 HZ1 LYS 54 1.522 11.290 10.761 362 HZ2 LYS 54 HZ2 LYS 54 2.931 10.634 10.875 363 HZ3 LYS 54 HZ3 LYS 54 2.706 11.736 9.823 364 H ALA 55 H ALA 55 0.254 4.366 7.308 365 HA ALA 55 HA ALA 55 1.030 2.354 9.287 366 HB1 ALA 55 HB1 ALA 55 -1.329 2.802 8.697 367 HB2 ALA 55 HB2 ALA 55 -1.071 2.141 7.114 368 HB3 ALA 55 HB3 ALA 55 -0.878 1.146 8.540 369 H ILE 56 H ILE 56 0.768 2.238 5.739 370 HA ILE 56 HA ILE 56 1.799 -0.369 5.789 371 HB ILE 56 HB ILE 56 0.256 0.953 4.145 372 HG12 ILE 56 HG12 ILE 56 0.556 -1.448 4.175 373 HG13 ILE 56 HG13 ILE 56 0.252 -0.797 2.611 374 HG21 ILE 56 HG21 ILE 56 2.808 1.129 2.625 375 HG22 ILE 56 HG22 ILE 56 1.223 1.564 2.047 376 HG23 ILE 56 HG23 ILE 56 1.929 2.470 3.325 377 HD11 ILE 56 HD11 ILE 56 2.516 -1.048 2.009 378 HD12 ILE 56 HD12 ILE 56 2.808 -1.737 3.490 379 HD13 ILE 56 HD13 ILE 56 1.821 -2.516 2.396 380 H ALA 57 H ALA 57 3.536 2.641 5.011 381 HA ALA 57 HA ALA 57 5.891 1.197 4.257 382 HB1 ALA 57 HB1 ALA 57 5.552 3.493 3.512 383 HB2 ALA 57 HB2 ALA 57 5.514 4.033 5.131 384 HB3 ALA 57 HB3 ALA 57 6.981 3.387 4.448 385 H ALA 58 H ALA 58 4.666 2.031 7.301 386 HA ALA 58 HA ALA 58 7.223 1.524 8.692 387 HB1 ALA 58 HB1 ALA 58 5.912 1.988 10.748 388 HB2 ALA 58 HB2 ALA 58 5.829 3.256 9.584 389 HB3 ALA 58 HB3 ALA 58 4.489 2.128 9.773 390 H ILE 59 H ILE 59 4.142 -0.007 8.130 391 HA ILE 59 HA ILE 59 4.602 -2.463 9.553 392 HB ILE 59 HB ILE 59 2.809 -1.796 7.242 393 HG12 ILE 59 HG12 ILE 59 2.035 -2.318 10.095 394 HG13 ILE 59 HG13 ILE 59 2.404 -0.703 9.578 395 HG21 ILE 59 HG21 ILE 59 1.622 -3.892 7.861 396 HG22 ILE 59 HG22 ILE 59 3.225 -4.154 7.244 397 HG23 ILE 59 HG23 ILE 59 2.880 -4.263 8.972 398 HD11 ILE 59 HD11 ILE 59 0.584 -1.046 7.816 399 HD12 ILE 59 HD12 ILE 59 0.093 -2.366 8.734 400 HD13 ILE 59 HD13 ILE 59 0.108 -0.849 9.404 401 H ILE 60 H ILE 60 5.204 -1.573 6.112 402 HA ILE 60 HA ILE 60 6.563 -3.839 5.400 403 HB ILE 60 HB ILE 60 6.795 -0.981 4.579 404 HG12 ILE 60 HG12 ILE 60 5.859 -3.607 3.367 405 HG13 ILE 60 HG13 ILE 60 4.834 -2.359 4.026 406 HG21 ILE 60 HG21 ILE 60 8.181 -1.607 2.634 407 HG22 ILE 60 HG22 ILE 60 9.063 -1.926 4.101 408 HG23 ILE 60 HG23 ILE 60 8.280 -3.230 3.232 409 HD11 ILE 60 HD11 ILE 60 6.441 -2.209 1.501 410 HD12 ILE 60 HD12 ILE 60 4.727 -2.310 1.618 411 HD13 ILE 60 HD13 ILE 60 5.501 -0.860 2.162 412 H LYS 61 H LYS 61 7.990 -1.115 7.055 413 HA LYS 61 HA LYS 61 10.637 -2.191 7.124 414 HB2 LYS 61 1HB LYS 61 10.278 0.103 7.351 415 HB3 LYS 61 2HB LYS 61 9.160 -0.075 8.654 416 HG2 LYS 61 1HG LYS 61 11.165 0.775 9.556 417 HG3 LYS 61 2HG LYS 61 10.996 -0.873 10.080 418 HD2 LYS 61 1HD LYS 61 13.250 -0.572 9.557 419 HD3 LYS 61 2HD LYS 61 12.606 -1.551 8.318 420 HE2 LYS 61 1HE LYS 61 13.198 -0.144 6.793 421 HE3 LYS 61 2HE LYS 61 12.582 0.887 7.605 422 HZ1 LYS 61 1HZ LYS 61 13.927 1.123 8.483 423 HZ2 LYS 61 2HZ LYS 61 14.348 0.692 7.695 424 HZ3 LYS 61 3HZ LYS 61 14.075 1.673 7.374 425 H ALA 62 H ALA 62 7.854 -2.883 9.086 426 HA ALA 62 HA ALA 62 9.371 -4.398 11.049 427 HB1 ALA 62 HB1 ALA 62 7.354 -4.762 12.063 428 HB2 ALA 62 HB2 ALA 62 7.359 -3.097 11.657 429 HB3 ALA 62 HB3 ALA 62 6.406 -4.157 10.691 430 H GLY 63 H GLY 63 7.193 -5.148 8.281 431 HA2 GLY 63 HA2 GLY 63 7.374 -7.891 8.519 432 HA3 GLY 63 HA3 GLY 63 6.979 -7.004 7.057 433 H GLY 64 H GLY 64 9.290 -5.716 6.490 434 HA2 GLY 64 HA2 GLY 64 11.409 -6.012 5.715 435 HA3 GLY 64 HA3 GLY 64 11.407 -7.643 6.169 436 H PHE 65 H PHE 65 8.926 -6.147 4.192 437 HA PHE 65 HA PHE 65 8.699 -8.205 2.406 438 HB2 PHE 65 HB2 PHE 65 7.898 -5.392 2.134 439 HB3 PHE 65 HB3 PHE 65 7.386 -6.700 1.103 440 HD1 PHE 65 HD1 PHE 65 7.281 -5.483 4.574 441 HD2 PHE 65 HD2 PHE 65 5.417 -7.993 1.643 442 HE1 PHE 65 HE1 PHE 65 5.074 -5.166 5.681 443 HE2 PHE 65 HE2 PHE 65 3.272 -7.764 2.826 444 HZ PHE 65 HZ PHE 65 3.102 -6.382 4.820 445 H ALA 68 H ALA 68 7.260 -11.834 2.965 446 HA ALA 68 HA ALA 68 4.757 -10.562 3.080 447 HB1 ALA 68 HB1 ALA 68 5.597 -11.586 1.032 448 HB2 ALA 68 HB2 ALA 68 5.547 -13.104 1.724 449 HB3 ALA 68 HB3 ALA 68 4.106 -12.215 1.464 450 H LYS 69 H LYS 69 5.974 -12.602 5.335 451 HA LYS 69 HA LYS 69 3.713 -13.825 6.389 452 HB2 LYS 69 HB2 LYS 69 6.002 -12.402 7.761 453 HB3 LYS 69 HB3 LYS 69 4.814 -13.463 8.513 454 HG2 LYS 69 HG2 LYS 69 5.574 -15.339 7.148 455 HG3 LYS 69 HG3 LYS 69 6.782 -14.311 6.440 456 HD2 LYS 69 HD2 LYS 69 7.837 -13.917 8.563 457 HD3 LYS 69 HD3 LYS 69 6.605 -14.858 9.287 458 HE2 LYS 69 HE2 LYS 69 7.272 -16.813 7.962 459 HE3 LYS 69 HE3 LYS 69 8.411 -15.864 7.150 460 HZ1 LYS 69 HZ1 LYS 69 9.516 -15.642 9.172 461 HZ2 LYS 69 HZ2 LYS 69 8.489 -16.404 9.814 462 HZ3 LYS 69 HZ3 LYS 69 9.407 -17.050 8.845 463 H ALA 70 H ALA 70 4.688 -10.541 6.323 464 HA ALA 70 HA ALA 70 2.609 -9.467 8.008 465 HB1 ALA 70 HB1 ALA 70 3.690 -7.385 7.437 466 HB2 ALA 70 HB2 ALA 70 4.909 -8.563 7.883 467 HB3 ALA 70 HB3 ALA 70 4.708 -8.237 6.239 468 H ALA 71 H ALA 71 2.415 -10.615 4.884 469 HA ALA 71 HA ALA 71 1.040 -8.384 3.736 470 HB1 ALA 71 HB1 ALA 71 1.029 -9.697 1.709 471 HB2 ALA 71 HB2 ALA 71 2.622 -9.794 2.471 472 HB3 ALA 71 HB3 ALA 71 1.462 -11.142 2.625 473 H ALA 72 H ALA 72 -0.278 -10.196 5.882 474 HA ALA 72 HA ALA 72 -2.906 -9.541 4.713 475 HB1 ALA 72 HB1 ALA 72 -2.530 -11.378 6.633 476 HB2 ALA 72 HB2 ALA 72 -3.344 -11.228 6.039 477 HB3 ALA 72 HB3 ALA 72 -3.289 -10.721 6.921 478 H ALA 73 H ALA 73 -0.812 -8.907 7.491 479 HA ALA 73 HA ALA 73 -2.382 -6.985 8.753 480 HB1 ALA 73 HB1 ALA 73 -0.285 -6.320 9.857 481 HB2 ALA 73 HB2 ALA 73 -0.527 -8.053 9.814 482 HB3 ALA 73 HB3 ALA 73 0.608 -7.314 8.726 483 H ALA 74 H ALA 74 0.078 -6.409 6.193 484 HA ALA 74 HA ALA 74 -0.004 -3.580 6.481 485 HB1 ALA 74 HB1 ALA 74 1.126 -3.696 4.329 486 HB2 ALA 74 HB2 ALA 74 1.909 -4.712 5.441 487 HB3 ALA 74 HB3 ALA 74 0.878 -5.334 4.224 488 H ILE 75 H ILE 75 -1.711 -5.901 4.634 489 HA ILE 75 HA ILE 75 -2.894 -4.062 2.784 490 HB ILE 75 HB ILE 75 -3.808 -6.850 3.356 491 HG12 ILE 75 1HG1 ILE 75 -1.357 -6.961 3.070 492 HG13 ILE 75 2HG1 ILE 75 -2.276 -7.737 1.776 493 HG21 ILE 75 1HG2 ILE 75 -3.985 -6.342 0.716 494 HG22 ILE 75 2HG2 ILE 75 -5.232 -6.210 1.848 495 HG23 ILE 75 3HG2 ILE 75 -4.326 -4.869 1.356 496 HD11 ILE 75 1HD1 ILE 75 -1.532 -5.699 0.694 497 HD12 ILE 75 2HD1 ILE 75 -0.898 -5.500 1.296 498 HD13 ILE 75 3HD1 ILE 75 -0.823 -6.227 0.801 499 H LYS 76 H LYS 76 -3.909 -5.784 5.653 500 HA LYS 76 HA LYS 76 -6.684 -4.965 5.512 501 HB2 LYS 76 HB2 LYS 76 -4.936 -6.188 7.661 502 HB3 LYS 76 HB3 LYS 76 -6.609 -5.900 7.959 503 HG2 LYS 76 HG2 LYS 76 -5.722 -7.558 5.607 504 HG3 LYS 76 HG3 LYS 76 -5.861 -8.240 7.210 505 HD2 LYS 76 HD2 LYS 76 -8.199 -7.655 7.336 506 HD3 LYS 76 HD3 LYS 76 -8.108 -6.914 5.803 507 HE2 LYS 76 HE2 LYS 76 -7.404 -9.061 4.783 508 HE3 LYS 76 HE3 LYS 76 -7.476 -9.758 6.330 509 HZ1 LYS 76 HZ1 LYS 76 -9.666 -8.721 4.944 510 HZ2 LYS 76 HZ2 LYS 76 -9.387 -10.236 5.134 511 HZ3 LYS 76 HZ3 LYS 76 -9.739 -9.351 6.339 512 H ALA 77 H ALA 77 -3.890 -3.489 6.881 513 HA ALA 77 HA ALA 77 -5.394 -1.235 7.915 514 HB1 ALA 77 HB1 ALA 77 -2.646 -1.430 7.153 515 HB2 ALA 77 HB2 ALA 77 -3.184 -0.209 7.628 516 HB3 ALA 77 HB3 ALA 77 -3.094 -1.349 8.446 517 H ILE 78 H ILE 78 -3.499 -1.566 4.889 518 HA ILE 78 HA ILE 78 -4.403 0.986 4.192 519 HB ILE 78 HB ILE 78 -2.181 -0.136 3.676 520 HG12 ILE 78 HG12 ILE 78 -3.814 1.585 1.914 521 HG13 ILE 78 HG13 ILE 78 -2.636 1.979 3.082 522 HG21 ILE 78 HG21 ILE 78 -3.219 -2.078 2.535 523 HG22 ILE 78 HG22 ILE 78 -3.669 -1.029 1.196 524 HG23 ILE 78 HG23 ILE 78 -2.000 -1.313 1.578 525 HD11 ILE 78 HD11 ILE 78 -1.445 0.959 1.008 526 HD12 ILE 78 HD12 ILE 78 -1.306 1.865 1.247 527 HD13 ILE 78 HD13 ILE 78 -1.981 1.664 0.619 528 H ALA 79 H ALA 79 -5.627 -2.113 3.000 529 HA ALA 79 HA ALA 79 -7.123 -0.784 0.933 530 HB1 ALA 79 HB1 ALA 79 -6.519 -3.098 0.802 531 HB2 ALA 79 HB2 ALA 79 -7.498 -3.491 2.147 532 HB3 ALA 79 HB3 ALA 79 -8.232 -2.943 0.702 533 H ALA 80 H ALA 80 -7.698 -1.267 4.282 534 HA ALA 80 HA ALA 80 -10.575 -0.746 4.197 535 HB1 ALA 80 HB1 ALA 80 -10.374 -0.874 6.589 536 HB2 ALA 80 HB2 ALA 80 -9.599 -2.270 5.934 537 HB3 ALA 80 HB3 ALA 80 -8.671 -0.929 6.540 538 H ILE 81 H ILE 81 -7.604 0.862 4.934 539 HA ILE 81 HA ILE 81 -8.756 3.409 5.646 540 HB ILE 81 HB ILE 81 -5.997 2.716 4.692 541 HG12 ILE 81 HG12 ILE 81 -6.814 3.408 7.497 542 HG13 ILE 81 HG13 ILE 81 -6.918 1.770 6.971 543 HG21 ILE 81 HG21 ILE 81 -5.338 4.854 5.762 544 HG22 ILE 81 HG22 ILE 81 -6.326 5.043 4.340 545 HG23 ILE 81 HG23 ILE 81 -7.004 5.267 5.933 546 HD11 ILE 81 HD11 ILE 81 -4.470 1.894 6.404 547 HD12 ILE 81 HD12 ILE 81 -4.442 3.416 7.234 548 HD13 ILE 81 HD13 ILE 81 -4.871 1.965 8.041 549 H ILE 82 H ILE 82 -7.366 2.184 2.551 550 HA ILE 82 HA ILE 82 -8.063 4.306 0.948 551 HB ILE 82 HB ILE 82 -7.797 1.362 0.514 552 HG12 ILE 82 HG12 ILE 82 -6.261 3.855 -0.248 553 HG13 ILE 82 HG13 ILE 82 -5.821 2.736 1.014 554 HG21 ILE 82 HG21 ILE 82 -8.393 3.371 -1.708 555 HG22 ILE 82 HG22 ILE 82 -7.880 1.703 -1.899 556 HG23 ILE 82 HG23 ILE 82 -9.401 2.024 -1.198 557 HD11 ILE 82 HD11 ILE 82 -4.393 2.370 -0.826 558 HD12 ILE 82 HD12 ILE 82 -5.433 1.008 -0.657 559 HD13 ILE 82 HD13 ILE 82 -5.734 2.210 -1.902 560 H LYS 83 H LYS 83 -10.136 1.602 1.842 561 HA LYS 83 HA LYS 83 -12.440 2.390 0.397 562 HB2 LYS 83 HB2 LYS 83 -12.162 0.192 1.171 563 HB3 LYS 83 HB3 LYS 83 -11.996 0.711 2.828 564 HG2 LYS 83 HG2 LYS 83 -14.129 -0.278 2.578 565 HG3 LYS 83 HG3 LYS 83 -14.285 1.448 2.869 566 HD2 LYS 83 HD2 LYS 83 -15.915 0.923 1.252 567 HD3 LYS 83 HD3 LYS 83 -14.661 1.715 0.373 568 HE2 LYS 83 HE2 LYS 83 -13.668 -0.546 -0.123 569 HE3 LYS 83 HE3 LYS 83 -15.097 -1.206 0.551 570 HZ1 LYS 83 HZ1 LYS 83 -15.031 0.468 -1.744 571 HZ2 LYS 83 HZ2 LYS 83 -15.368 -1.047 -1.723 572 HZ3 LYS 83 HZ3 LYS 83 -16.313 -0.016 -1.073 573 H ALA 84 H ALA 84 -11.132 3.617 3.400 574 HA ALA 84 HA ALA 84 -13.465 5.253 3.962 575 HB1 ALA 84 HB1 ALA 84 -12.344 4.351 5.821 576 HB2 ALA 84 HB2 ALA 84 -10.831 4.989 5.331 577 HB3 ALA 84 HB3 ALA 84 -12.037 6.035 5.824 578 H GLY 85 H GLY 85 -10.138 5.791 2.757 579 HA2 GLY 85 HA2 GLY 85 -10.309 8.589 2.600 580 HA3 GLY 85 HA3 GLY 85 -9.092 7.504 1.919 581 H GLY 86 H GLY 86 -10.833 6.160 0.081 582 HA2 GLY 86 HA2 GLY 86 -11.910 6.439 -1.969 583 HA3 GLY 86 HA3 GLY 86 -12.125 8.121 -1.585 584 H PHE 87 H PHE 87 -9.043 6.491 -1.695 585 HA PHE 87 HA PHE 87 -7.552 8.321 -2.998 586 HB2 PHE 87 HB2 PHE 87 -7.259 5.428 -2.747 587 HB3 PHE 87 HB3 PHE 87 -6.028 6.526 -3.383 588 HD1 PHE 87 HD1 PHE 87 -8.056 5.786 -0.348 589 HD2 PHE 87 HD2 PHE 87 -4.520 7.637 -1.956 590 HE1 PHE 87 HE1 PHE 87 -7.014 5.767 1.889 591 HE2 PHE 87 HE2 PHE 87 -3.560 7.720 0.255 592 HZ PHE 87 HZ PHE 87 -4.797 6.802 2.186 593 H1 ACE 1 H1 ACE 1 5.650 13.741 -2.475 594 H2 ACE 1 H2 ACE 1 4.960 14.706 -2.668 595 H3 ACE 1 H3 ACE 1 5.144 14.344 -1.507 596 HN1 NH2 22 HN1 NH2 22 -7.608 -9.286 2.181 597 HN2 NH2 22 HN2 NH2 22 -7.192 -8.710 0.635 598 H1 ACE 23 H1 ACE 23 -3.656 -14.375 -1.364 599 H2 ACE 23 H2 ACE 23 -3.876 -13.924 -1.642 600 H3 ACE 23 H3 ACE 23 -3.584 -14.294 -1.879 601 HN1 NH2 44 HN1 NH2 44 4.728 10.998 4.129 602 HN2 NH2 44 HN2 NH2 44 5.417 9.733 3.165 603 H1 ACE 45 H1 ACE 45 -9.024 11.215 -1.921 604 H2 ACE 45 H2 ACE 45 -9.089 11.204 -1.446 605 H3 ACE 45 H3 ACE 45 -8.973 11.595 -1.653 606 HN1 NH2 66 HN1 NH2 66 11.102 -5.645 0.403 607 HN2 NH2 66 HN2 NH2 66 10.159 -5.048 1.665 608 H1 ACE 67 H1 ACE 67 8.859 -10.969 4.842 609 H2 ACE 67 H2 ACE 67 8.934 -10.641 4.802 610 H3 ACE 67 H3 ACE 67 8.754 -10.783 5.077 611 HN1 NH2 88 HN1 NH2 88 -8.748 6.002 -6.123 612 HN2 NH2 88 HN2 NH2 88 -8.848 5.387 -4.528 Start of MODEL 8 1 H1 ALA 2 H1 ALA 2 -1.021 12.094 0.301 2 HA ALA 2 HA ALA 2 -1.506 13.661 -1.149 3 HB1 ALA 2 HB1 ALA 2 0.166 14.655 0.286 4 HB2 ALA 2 HB2 ALA 2 1.389 14.304 -0.899 5 HB3 ALA 2 HB3 ALA 2 0.118 15.391 -1.295 6 H LYS 3 H LYS 3 1.064 14.340 -2.979 7 HA LYS 3 HA LYS 3 -0.574 14.157 -5.206 8 HB2 LYS 3 HB2 LYS 3 2.390 14.703 -5.012 9 HB3 LYS 3 HB3 LYS 3 1.432 14.885 -6.460 10 HG2 LYS 3 HG2 LYS 3 0.025 16.535 -5.459 11 HG3 LYS 3 HG3 LYS 3 0.882 16.394 -3.986 12 HD2 LYS 3 HD2 LYS 3 2.901 17.206 -4.909 13 HD3 LYS 3 HD3 LYS 3 2.131 17.242 -6.424 14 HE2 LYS 3 HE2 LYS 3 0.469 18.859 -5.587 15 HE3 LYS 3 HE3 LYS 3 1.353 18.824 -4.138 16 HZ1 LYS 3 HZ1 LYS 3 1.955 20.642 -5.371 17 HZ2 LYS 3 HZ2 LYS 3 3.058 19.671 -5.095 18 HZ3 LYS 3 HZ3 LYS 3 2.431 19.665 -6.412 19 H ALA 4 H ALA 4 2.051 12.135 -4.341 20 HA ALA 4 HA ALA 4 2.062 10.576 -6.737 21 HB1 ALA 4 HB1 ALA 4 3.358 10.125 -4.069 22 HB2 ALA 4 HB2 ALA 4 3.678 9.165 -5.481 23 HB3 ALA 4 HB3 ALA 4 4.059 10.855 -5.484 24 H ALA 5 H ALA 5 -0.291 10.529 -4.360 25 HA ALA 5 HA ALA 5 -0.323 7.820 -3.694 26 HB1 ALA 5 HB1 ALA 5 -1.405 9.612 -2.337 27 HB2 ALA 5 HB2 ALA 5 -2.588 9.803 -3.581 28 HB3 ALA 5 HB3 ALA 5 -2.477 8.320 -2.652 29 H ALA 6 H ALA 6 -2.417 9.358 -6.159 30 HA ALA 6 HA ALA 6 -3.737 6.952 -6.761 31 HB1 ALA 6 HB1 ALA 6 -3.191 9.138 -8.736 32 HB2 ALA 6 HB2 ALA 6 -4.414 8.010 -8.735 33 HB3 ALA 6 HB3 ALA 6 -4.419 9.217 -7.598 34 H ALA 7 H ALA 7 -0.834 8.202 -8.205 35 HA ALA 7 HA ALA 7 -0.319 6.122 -10.034 36 HB1 ALA 7 1HB ALA 7 1.288 7.714 -10.009 37 HB2 ALA 7 2HB ALA 7 1.455 7.969 -9.212 38 HB3 ALA 7 3HB ALA 7 1.819 7.320 -9.524 39 H ALA 8 H ALA 8 0.483 6.212 -6.571 40 HA ALA 8 HA ALA 8 2.014 3.735 -6.759 41 HB1 ALA 8 HB1 ALA 8 0.986 5.142 -4.301 42 HB2 ALA 8 HB2 ALA 8 2.439 4.212 -4.526 43 HB3 ALA 8 HB3 ALA 8 2.299 5.762 -5.230 44 H ILE 9 H ILE 9 -1.045 4.782 -5.448 45 HA ILE 9 HA ILE 9 -1.661 2.284 -4.262 46 HB ILE 9 HB ILE 9 -3.354 4.683 -4.783 47 HG12 ILE 9 HG12 ILE 9 -1.186 4.984 -3.453 48 HG13 ILE 9 HG13 ILE 9 -2.652 5.672 -2.800 49 HG21 ILE 9 HG21 ILE 9 -3.832 2.287 -3.190 50 HG22 ILE 9 HG22 ILE 9 -4.567 3.771 -2.691 51 HG23 ILE 9 HG23 ILE 9 -4.852 3.129 -4.260 52 HD11 ILE 9 HD11 ILE 9 -1.338 4.622 -1.138 53 HD12 ILE 9 HD12 ILE 9 -2.887 3.841 -1.215 54 HD13 ILE 9 HD13 ILE 9 -1.498 3.054 -1.899 55 H LYS 10 H LYS 10 -2.535 3.676 -7.331 56 HA LYS 10 HA LYS 10 -4.673 1.865 -7.951 57 HB2 LYS 10 1HB LYS 10 -2.819 3.637 -9.555 58 HB3 LYS 10 2HB LYS 10 -3.957 2.546 -10.340 59 HG2 LYS 10 1HG LYS 10 -5.844 3.588 -9.224 60 HG3 LYS 10 2HG LYS 10 -4.776 4.642 -8.329 61 HD2 LYS 10 1HD LYS 10 -5.536 5.969 -10.051 62 HD3 LYS 10 2HD LYS 10 -4.017 5.521 -10.552 63 HE2 LYS 10 1HE LYS 10 -4.534 4.229 -12.125 64 HE3 LYS 10 2HE LYS 10 -5.910 4.159 -11.487 65 HZ1 LYS 10 1HZ LYS 10 -6.135 5.786 -12.373 66 HZ2 LYS 10 2HZ LYS 10 -5.623 5.880 -12.689 67 HZ3 LYS 10 3HZ LYS 10 -6.186 5.467 -13.085 68 H ALA 11 H ALA 11 -1.209 1.743 -8.397 69 HA ALA 11 HA ALA 11 -1.080 -0.784 -9.682 70 HB1 ALA 11 HB1 ALA 11 1.180 -0.429 -9.483 71 HB2 ALA 11 HB2 ALA 11 0.746 1.001 -9.572 72 HB3 ALA 11 HB3 ALA 11 1.159 0.463 -8.248 73 H ILE 12 H ILE 12 -1.933 -0.134 -6.517 74 HA ILE 12 HA ILE 12 -1.323 -2.906 -5.751 75 HB ILE 12 HB ILE 12 -0.439 -0.593 -4.602 76 HG12 ILE 12 HG12 ILE 12 0.557 -2.783 -4.538 77 HG13 ILE 12 HG13 ILE 12 0.620 -1.920 -3.037 78 HG21 ILE 12 HG21 ILE 12 -2.469 0.006 -3.562 79 HG22 ILE 12 HG22 ILE 12 -2.622 -1.575 -2.803 80 HG23 ILE 12 HG23 ILE 12 -1.317 -0.495 -2.364 81 HD11 ILE 12 HD11 ILE 12 -1.249 -4.051 -3.506 82 HD12 ILE 12 HD12 ILE 12 0.048 -4.304 -2.808 83 HD13 ILE 12 HD13 ILE 12 -1.019 -3.421 -2.140 84 H ALA 13 H ALA 13 -3.869 -0.407 -5.417 85 HA ALA 13 HA ALA 13 -5.604 -2.215 -4.180 86 HB1 ALA 13 HB1 ALA 13 -5.836 0.170 -3.989 87 HB2 ALA 13 HB2 ALA 13 -6.184 0.332 -5.663 88 HB3 ALA 13 HB3 ALA 13 -7.301 -0.524 -4.591 89 H ALA 14 H ALA 14 -5.154 -1.495 -7.513 90 HA ALA 14 HA ALA 14 -7.404 -3.063 -8.478 91 HB1 ALA 14 HB1 ALA 14 -6.487 -2.635 -10.643 92 HB2 ALA 14 HB2 ALA 14 -6.503 -1.142 -9.707 93 HB3 ALA 14 HB3 ALA 14 -5.021 -2.015 -10.020 94 H ILE 15 H ILE 15 -4.166 -3.718 -7.571 95 HA ILE 15 HA ILE 15 -4.059 -6.348 -8.845 96 HB ILE 15 HB ILE 15 -2.144 -4.578 -7.314 97 HG12 ILE 15 1HG1 ILE 15 -0.706 -5.001 -9.168 98 HG13 ILE 15 2HG1 ILE 15 -1.918 -5.961 -9.915 99 HG21 ILE 15 1HG2 ILE 15 -1.843 -7.497 -7.704 100 HG22 ILE 15 2HG2 ILE 15 -0.514 -6.411 -7.499 101 HG23 ILE 15 3HG2 ILE 15 -1.718 -6.545 -6.223 102 HD11 ILE 15 1HD1 ILE 15 -1.939 -3.318 -10.005 103 HD12 ILE 15 2HD1 ILE 15 -2.324 -3.931 -10.631 104 HD13 ILE 15 3HD1 ILE 15 -2.880 -3.558 -9.962 105 H ILE 16 H ILE 16 -4.277 -5.053 -5.524 106 HA ILE 16 HA ILE 16 -4.864 -7.346 -4.102 107 HB ILE 16 HB ILE 16 -5.970 -4.572 -3.856 108 HG12 ILE 16 HG12 ILE 16 -3.939 -6.175 -2.262 109 HG13 ILE 16 HG13 ILE 16 -3.515 -5.011 -3.509 110 HG21 ILE 16 HG21 ILE 16 -6.291 -6.902 -1.951 111 HG22 ILE 16 HG22 ILE 16 -6.725 -5.265 -1.609 112 HG23 ILE 16 HG23 ILE 16 -7.549 -6.072 -2.810 113 HD11 ILE 16 HD11 ILE 16 -3.201 -4.143 -1.301 114 HD12 ILE 16 HD12 ILE 16 -4.440 -3.200 -2.211 115 HD13 ILE 16 HD13 ILE 16 -4.888 -4.342 -0.955 116 H LYS 17 H LYS 17 -7.183 -5.484 -5.989 117 HA LYS 17 HA LYS 17 -9.470 -7.029 -5.618 118 HB2 LYS 17 HB2 LYS 17 -9.432 -4.833 -6.641 119 HB3 LYS 17 HB3 LYS 17 -8.405 -5.394 -7.928 120 HG2 LYS 17 HG2 LYS 17 -10.582 -5.034 -8.765 121 HG3 LYS 17 HG3 LYS 17 -10.157 -6.721 -8.831 122 HD2 LYS 17 HD2 LYS 17 -12.424 -6.631 -8.147 123 HD3 LYS 17 HD3 LYS 17 -11.496 -7.081 -6.766 124 HE2 LYS 17 HE2 LYS 17 -11.405 -4.591 -6.168 125 HE3 LYS 17 HE3 LYS 17 -12.588 -4.397 -7.397 126 HZ1 LYS 17 HZ1 LYS 17 -13.918 -5.875 -6.230 127 HZ2 LYS 17 HZ2 LYS 17 -12.929 -5.918 -5.157 128 HZ3 LYS 17 HZ3 LYS 17 -13.681 -4.635 -5.397 129 H ALA 18 H ALA 18 -6.675 -7.819 -7.589 130 HA ALA 18 HA ALA 18 -8.008 -10.231 -8.607 131 HB1 ALA 18 HB1 ALA 18 -6.628 -9.048 -10.137 132 HB2 ALA 18 HB2 ALA 18 -5.238 -9.141 -9.108 133 HB3 ALA 18 HB3 ALA 18 -5.899 -10.579 -9.780 134 H GLY 19 H GLY 19 -5.158 -9.419 -6.594 135 HA2 GLY 19 HA2 GLY 19 -4.480 -12.027 -6.085 136 HA3 GLY 19 HA3 GLY 19 -3.927 -10.629 -5.183 137 H GLY 20 H GLY 20 -6.274 -9.856 -3.977 138 HA2 GLY 20 HA2 GLY 20 -7.676 -10.244 -2.242 139 HA3 GLY 20 HA3 GLY 20 -7.538 -11.952 -2.542 140 H PHE 21 H PHE 21 -5.563 -9.241 -1.315 141 HA PHE 21 HA PHE 21 -3.453 -10.730 -0.303 142 HB2 PHE 21 HB2 PHE 21 -4.397 -7.976 -0.178 143 HB3 PHE 21 HB3 PHE 21 -3.023 -8.483 0.784 144 HD1 PHE 21 HD1 PHE 21 -4.208 -8.903 -2.810 145 HD2 PHE 21 HD2 PHE 21 -0.936 -7.914 -0.194 146 HE1 PHE 21 HE1 PHE 21 -2.889 -8.209 -4.713 147 HE2 PHE 21 HE2 PHE 21 0.360 -7.262 -2.117 148 HZ PHE 21 HZ PHE 21 -0.571 -7.559 -4.416 149 H ALA 24 H ALA 24 -1.860 -13.502 0.241 150 HA ALA 24 HA ALA 24 -0.615 -11.257 -1.019 151 HB1 ALA 24 HB1 ALA 24 -0.664 -11.584 1.398 152 HB2 ALA 24 HB2 ALA 24 0.307 -12.956 1.270 153 HB3 ALA 24 HB3 ALA 24 0.916 -11.418 0.826 154 H LYS 25 H LYS 25 -0.513 -14.250 -2.057 155 HA LYS 25 HA LYS 25 2.142 -14.677 -2.872 156 HB2 LYS 25 HB2 LYS 25 -0.384 -15.353 -4.316 157 HB3 LYS 25 HB3 LYS 25 1.209 -15.967 -4.645 158 HG2 LYS 25 HG2 LYS 25 1.264 -16.877 -2.304 159 HG3 LYS 25 HG3 LYS 25 -0.397 -16.487 -2.183 160 HD2 LYS 25 HD2 LYS 25 -1.007 -17.875 -4.000 161 HD3 LYS 25 HD3 LYS 25 0.648 -18.280 -4.159 162 HE2 LYS 25 HE2 LYS 25 0.777 -19.195 -1.965 163 HE3 LYS 25 HE3 LYS 25 -0.871 -18.871 -1.816 164 HZ1 LYS 25 HZ1 LYS 25 0.140 -20.634 -3.668 165 HZ2 LYS 25 HZ2 LYS 25 -0.541 -21.078 -2.423 166 HZ3 LYS 25 HZ3 LYS 25 -1.318 -20.378 -3.473 167 H ALA 26 H ALA 26 -0.260 -12.436 -4.000 168 HA ALA 26 HA ALA 26 1.073 -11.615 -6.401 169 HB1 ALA 26 HB1 ALA 26 -1.348 -11.487 -6.203 170 HB2 ALA 26 HB2 ALA 26 -1.256 -10.554 -4.790 171 HB3 ALA 26 HB3 ALA 26 -0.757 -9.893 -6.256 172 H ALA 27 H ALA 27 1.837 -11.021 -3.206 173 HA ALA 27 HA ALA 27 1.754 -8.225 -3.246 174 HB1 ALA 27 HB1 ALA 27 1.309 -9.578 -1.285 175 HB2 ALA 27 HB2 ALA 27 3.042 -9.975 -1.185 176 HB3 ALA 27 HB3 ALA 27 2.474 -8.356 -0.970 177 H ALA 28 H ALA 28 4.610 -10.310 -3.492 178 HA ALA 28 HA ALA 28 6.430 -8.224 -3.267 179 HB1 ALA 28 HB1 ALA 28 7.120 -10.506 -3.123 180 HB2 ALA 28 HB2 ALA 28 6.574 -10.827 -4.753 181 HB3 ALA 28 HB3 ALA 28 7.974 -9.811 -4.485 182 H ALA 29 H ALA 29 4.651 -9.136 -6.085 183 HA ALA 29 HA ALA 29 5.918 -7.265 -7.869 184 HB1 ALA 29 HB1 ALA 29 4.076 -7.816 -9.350 185 HB2 ALA 29 HB2 ALA 29 4.638 -9.223 -8.619 186 HB3 ALA 29 HB3 ALA 29 3.206 -8.478 -8.081 187 H ALA 30 H ALA 30 3.067 -7.062 -5.688 188 HA ALA 30 HA ALA 30 2.043 -4.639 -6.879 189 HB1 ALA 30 HB1 ALA 30 0.309 -4.982 -5.432 190 HB2 ALA 30 HB2 ALA 30 0.888 -6.623 -5.698 191 HB3 ALA 30 HB3 ALA 30 1.282 -5.776 -4.207 192 H ILE 31 H ILE 31 3.684 -5.573 -3.961 193 HA ILE 31 HA ILE 31 3.675 -2.978 -2.768 194 HB ILE 31 HB ILE 31 5.357 -5.400 -2.142 195 HG12 ILE 31 HG12 ILE 31 2.852 -5.816 -2.225 196 HG13 ILE 31 HG13 ILE 31 3.659 -6.204 -0.714 197 HG21 ILE 31 HG21 ILE 31 4.980 -2.877 -0.745 198 HG22 ILE 31 HG22 ILE 31 5.024 -4.286 0.264 199 HG23 ILE 31 HG23 ILE 31 6.308 -3.893 -0.841 200 HD11 ILE 31 HD11 ILE 31 2.096 -3.658 -1.124 201 HD12 ILE 31 HD12 ILE 31 1.481 -5.153 -0.485 202 HD13 ILE 31 HD13 ILE 31 2.752 -4.320 0.401 203 H LYS 32 H LYS 32 5.973 -4.742 -4.730 204 HA LYS 32 HA LYS 32 8.171 -2.925 -4.351 205 HB2 LYS 32 HB2 LYS 32 7.417 -4.958 -6.403 206 HB3 LYS 32 HB3 LYS 32 8.791 -3.916 -6.659 207 HG2 LYS 32 HG2 LYS 32 9.652 -4.633 -4.396 208 HG3 LYS 32 HG3 LYS 32 8.432 -5.845 -4.366 209 HD2 LYS 32 HD2 LYS 32 9.287 -6.478 -6.669 210 HD3 LYS 32 HD3 LYS 32 10.462 -5.728 -6.149 211 HE2 LYS 32 HE2 LYS 32 11.566 -6.730 -5.165 212 HE3 LYS 32 HE3 LYS 32 10.248 -7.528 -4.794 213 HZ1 LYS 32 HZ1 LYS 32 11.122 -7.413 -6.990 214 HZ2 LYS 32 HZ2 LYS 32 10.070 -8.010 -6.478 215 HZ3 LYS 32 HZ3 LYS 32 11.238 -8.378 -6.051 216 H ALA 33 H ALA 33 5.460 -2.943 -6.525 217 HA ALA 33 HA ALA 33 6.080 -0.518 -7.891 218 HB1 ALA 33 HB1 ALA 33 4.033 -1.061 -8.813 219 HB2 ALA 33 HB2 ALA 33 4.464 -2.190 -8.645 220 HB3 ALA 33 HB3 ALA 33 3.569 -1.769 -7.920 221 H ILE 34 H ILE 34 4.930 -1.001 -4.790 222 HA ILE 34 HA ILE 34 4.093 1.802 -4.629 223 HB ILE 34 HB ILE 34 2.774 -0.436 -3.879 224 HG12 ILE 34 HG12 ILE 34 1.896 1.743 -4.363 225 HG13 ILE 34 HG13 ILE 34 1.093 0.819 -3.143 226 HG21 ILE 34 HG21 ILE 34 3.830 0.709 -1.321 227 HG22 ILE 34 HG22 ILE 34 2.471 -0.364 -1.418 228 HG23 ILE 34 HG23 ILE 34 4.049 -0.937 -1.895 229 HD11 ILE 34 HD11 ILE 34 1.264 3.199 -2.578 230 HD12 ILE 34 HD12 ILE 34 2.064 2.212 -1.403 231 HD13 ILE 34 HD13 ILE 34 2.968 3.068 -2.577 232 H ALA 35 H ALA 35 6.252 -0.397 -2.840 233 HA ALA 35 HA ALA 35 7.073 1.695 -1.082 234 HB1 ALA 35 HB1 ALA 35 8.486 -0.853 -1.848 235 HB2 ALA 35 HB2 ALA 35 8.836 0.124 -0.466 236 HB3 ALA 35 HB3 ALA 35 7.318 -0.705 -0.587 237 H ALA 36 H ALA 36 8.297 0.708 -4.166 238 HA ALA 36 HA ALA 36 10.619 2.452 -4.105 239 HB1 ALA 36 HB1 ALA 36 10.919 1.673 -6.410 240 HB2 ALA 36 HB2 ALA 36 10.529 0.305 -5.365 241 HB3 ALA 36 HB3 ALA 36 9.292 0.959 -6.387 242 H ILE 37 H ILE 37 7.361 2.829 -4.854 243 HA ILE 37 HA ILE 37 7.731 5.360 -6.308 244 HB ILE 37 HB ILE 37 5.434 3.522 -5.703 245 HG12 ILE 37 HG12 ILE 37 5.081 3.567 -8.086 246 HG13 ILE 37 HG13 ILE 37 6.373 4.684 -8.322 247 HG21 ILE 37 HG21 ILE 37 5.206 6.331 -6.814 248 HG22 ILE 37 HG22 ILE 37 3.961 5.087 -6.899 249 HG23 ILE 37 HG23 ILE 37 4.492 5.679 -5.336 250 HD11 ILE 37 HD11 ILE 37 8.016 3.045 -7.992 251 HD12 ILE 37 HD12 ILE 37 6.905 1.939 -7.217 252 HD13 ILE 37 HD13 ILE 37 6.758 2.281 -8.902 253 H ILE 38 H ILE 38 6.287 4.274 -3.135 254 HA ILE 38 HA ILE 38 6.071 6.683 -1.936 255 HB ILE 38 HB ILE 38 7.146 4.075 -0.891 256 HG12 ILE 38 HG12 ILE 38 4.464 5.481 -0.642 257 HG13 ILE 38 HG13 ILE 38 4.786 4.186 -1.744 258 HG21 ILE 38 HG21 ILE 38 7.922 5.810 0.635 259 HG22 ILE 38 HG22 ILE 38 6.333 6.519 0.754 260 HG23 ILE 38 HG23 ILE 38 6.693 4.932 1.404 261 HD11 ILE 38 HD11 ILE 38 4.767 4.012 1.252 262 HD12 ILE 38 HD12 ILE 38 3.559 3.420 0.212 263 HD13 ILE 38 HD13 ILE 38 5.110 2.648 0.175 264 H LYS 39 H LYS 39 9.107 5.053 -2.396 265 HA LYS 39 HA LYS 39 10.783 6.863 -1.028 266 HB2 LYS 39 HB2 LYS 39 11.566 4.725 -1.630 267 HB3 LYS 39 HB3 LYS 39 11.134 4.916 -3.294 268 HG2 LYS 39 HG2 LYS 39 13.507 5.067 -3.136 269 HG3 LYS 39 HG3 LYS 39 12.874 6.647 -3.537 270 HD2 LYS 39 HD2 LYS 39 14.407 7.243 -1.985 271 HD3 LYS 39 HD3 LYS 39 13.136 6.995 -0.970 272 HE2 LYS 39 HE2 LYS 39 13.704 4.848 -0.434 273 HE3 LYS 39 HE3 LYS 39 15.007 5.175 -1.384 274 HZ1 LYS 39 HZ1 LYS 39 14.552 6.477 0.955 275 HZ2 LYS 39 HZ2 LYS 39 15.597 5.528 0.829 276 HZ3 LYS 39 HZ3 LYS 39 15.641 6.789 0.091 277 H ALA 40 H ALA 40 9.263 7.235 -4.086 278 HA ALA 40 HA ALA 40 10.637 9.788 -4.628 279 HB1 ALA 40 HB1 ALA 40 10.043 8.898 -6.602 280 HB2 ALA 40 HB2 ALA 40 9.128 9.043 -6.523 281 HB3 ALA 40 HB3 ALA 40 9.455 8.216 -6.304 282 H GLY 41 H GLY 41 7.352 8.658 -3.825 283 HA2 GLY 41 HA2 GLY 41 6.139 11.158 -4.076 284 HA3 GLY 41 HA3 GLY 41 5.465 9.736 -3.379 285 H GLY 42 H GLY 42 7.616 9.672 -1.245 286 HA2 GLY 42 HA2 GLY 42 8.116 10.663 0.786 287 HA3 GLY 42 HA3 GLY 42 7.502 12.169 0.150 288 H PHE 43 H PHE 43 5.802 9.131 0.663 289 HA PHE 43 HA PHE 43 3.372 10.282 1.568 290 HB2 PHE 43 HB2 PHE 43 4.513 7.551 1.588 291 HB3 PHE 43 HB3 PHE 43 2.894 7.962 2.114 292 HD1 PHE 43 HD1 PHE 43 5.197 8.130 -0.885 293 HD2 PHE 43 HD2 PHE 43 1.108 7.979 0.463 294 HE1 PHE 43 HE1 PHE 43 4.481 7.419 -3.061 295 HE2 PHE 43 HE2 PHE 43 0.394 7.622 -1.783 296 HZ PHE 43 HZ PHE 43 2.096 7.301 -3.601 297 H ALA 46 H ALA 46 -7.577 10.458 -1.385 298 HA ALA 46 HA ALA 46 -5.577 10.038 -0.540 299 HB1 ALA 46 HB1 ALA 46 -4.919 10.578 -2.794 300 HB2 ALA 46 HB2 ALA 46 -4.521 12.202 -2.300 301 HB3 ALA 46 HB3 ALA 46 -3.663 10.891 -1.659 302 H LYS 47 H LYS 47 -7.124 12.268 0.685 303 HA LYS 47 HA LYS 47 -5.204 13.804 2.262 304 HB2 LYS 47 1HB LYS 47 -8.107 13.226 2.887 305 HB3 LYS 47 2HB LYS 47 -7.118 14.513 3.528 306 HG2 LYS 47 1HG LYS 47 -8.079 14.340 0.700 307 HG3 LYS 47 2HG LYS 47 -8.799 15.294 1.963 308 HD2 LYS 47 1HD LYS 47 -6.804 16.667 2.142 309 HD3 LYS 47 2HD LYS 47 -5.984 15.617 1.013 310 HE2 LYS 47 1HE LYS 47 -6.620 17.415 -0.290 311 HE3 LYS 47 2HE LYS 47 -7.742 16.194 -0.621 312 HZ1 LYS 47 1HZ LYS 47 -8.536 18.257 0.571 313 HZ2 LYS 47 2HZ LYS 47 -8.981 17.933 0.058 314 HZ3 LYS 47 3HZ LYS 47 -8.828 17.533 0.732 315 H ALA 48 H ALA 48 -6.692 10.693 2.395 316 HA ALA 48 HA ALA 48 -6.073 9.995 5.107 317 HB1 ALA 48 HB1 ALA 48 -7.918 8.992 3.798 318 HB2 ALA 48 HB2 ALA 48 -6.815 8.535 2.575 319 HB3 ALA 48 HB3 ALA 48 -6.727 7.764 4.152 320 H ALA 49 H ALA 49 -4.169 10.310 2.300 321 HA ALA 49 HA ALA 49 -3.008 7.751 2.461 322 HB1 ALA 49 HB1 ALA 49 -2.178 10.070 0.684 323 HB2 ALA 49 HB2 ALA 49 -1.827 8.349 0.454 324 HB3 ALA 49 HB3 ALA 49 -3.469 8.924 0.375 325 H ALA 50 H ALA 50 -1.337 10.836 3.203 326 HA ALA 50 HA ALA 50 1.052 9.665 3.930 327 HB1 ALA 50 HB1 ALA 50 1.313 11.726 5.306 328 HB2 ALA 50 HB2 ALA 50 0.801 12.051 3.700 329 HB3 ALA 50 HB3 ALA 50 -0.353 12.110 5.004 330 H ALA 51 H ALA 51 -1.735 10.297 5.986 331 HA ALA 51 HA ALA 51 -0.698 9.072 8.339 332 HB1 ALA 51 HB1 ALA 51 -2.949 9.191 9.185 333 HB2 ALA 51 HB2 ALA 51 -2.551 10.642 8.404 334 HB3 ALA 51 HB3 ALA 51 -3.575 9.484 7.628 335 H ALA 52 H ALA 52 -2.251 7.569 5.517 336 HA ALA 52 HA ALA 52 -2.730 5.066 6.804 337 HB1 ALA 52 HB1 ALA 52 -3.874 5.732 4.764 338 HB2 ALA 52 HB2 ALA 52 -2.401 5.762 3.888 339 HB3 ALA 52 HB3 ALA 52 -2.965 4.267 4.525 340 H ILE 53 H ILE 53 -0.268 6.343 4.671 341 HA ILE 53 HA ILE 53 1.182 3.868 4.607 342 HB ILE 53 HB ILE 53 1.232 6.414 3.138 343 HG12 ILE 53 HG12 ILE 53 1.129 3.469 2.462 344 HG13 ILE 53 HG13 ILE 53 -0.261 4.397 2.861 345 HG21 ILE 53 HG21 ILE 53 3.585 6.037 3.391 346 HG22 ILE 53 HG22 ILE 53 3.382 4.335 3.020 347 HG23 ILE 53 HG23 ILE 53 3.114 5.591 1.789 348 HD11 ILE 53 HD11 ILE 53 0.225 4.438 0.525 349 HD12 ILE 53 HD12 ILE 53 1.072 5.201 0.767 350 HD13 ILE 53 HD13 ILE 53 -0.024 5.477 1.006 351 H LYS 54 H LYS 54 1.534 6.740 6.543 352 HA LYS 54 HA LYS 54 4.279 6.264 7.206 353 HB2 LYS 54 HB2 LYS 54 1.940 7.805 8.416 354 HB3 LYS 54 HB3 LYS 54 3.433 7.664 9.314 355 HG2 LYS 54 HG2 LYS 54 4.677 8.723 7.437 356 HG3 LYS 54 HG3 LYS 54 3.165 8.869 6.538 357 HD2 LYS 54 HD2 LYS 54 2.174 10.262 8.245 358 HD3 LYS 54 HD3 LYS 54 3.649 10.171 9.153 359 HE2 LYS 54 HE2 LYS 54 4.867 11.139 7.164 360 HE3 LYS 54 HE3 LYS 54 3.335 11.345 6.435 361 HZ1 LYS 54 HZ1 LYS 54 4.204 12.630 8.731 362 HZ2 LYS 54 HZ2 LYS 54 3.890 13.281 7.464 363 HZ3 LYS 54 HZ3 LYS 54 2.801 12.687 8.292 364 H ALA 55 H ALA 55 1.369 4.719 8.240 365 HA ALA 55 HA ALA 55 2.806 3.035 10.114 366 HB1 ALA 55 HB1 ALA 55 0.098 2.773 8.860 367 HB2 ALA 55 HB2 ALA 55 0.763 1.800 10.093 368 HB3 ALA 55 HB3 ALA 55 0.461 3.442 10.412 369 H ILE 56 H ILE 56 1.499 2.662 6.811 370 HA ILE 56 HA ILE 56 2.377 -0.035 6.730 371 HB ILE 56 HB ILE 56 1.370 1.612 4.437 372 HG12 ILE 56 HG12 ILE 56 -0.240 1.621 6.185 373 HG13 ILE 56 HG13 ILE 56 -0.746 0.666 4.835 374 HG21 ILE 56 HG21 ILE 56 2.367 -0.268 3.495 375 HG22 ILE 56 HG22 ILE 56 1.734 -1.358 4.704 376 HG23 ILE 56 HG23 ILE 56 0.684 -0.644 3.539 377 HD11 ILE 56 HD11 ILE 56 -1.143 -0.426 6.912 378 HD12 ILE 56 HD12 ILE 56 0.002 -0.536 7.092 379 HD13 ILE 56 HD13 ILE 56 -0.497 -1.087 6.208 380 H ALA 57 H ALA 57 3.936 2.816 5.362 381 HA ALA 57 HA ALA 57 5.912 1.215 4.009 382 HB1 ALA 57 HB1 ALA 57 7.160 3.325 3.922 383 HB2 ALA 57 HB2 ALA 57 5.513 3.452 3.424 384 HB3 ALA 57 HB3 ALA 57 6.026 4.033 4.977 385 H ALA 58 H ALA 58 5.577 2.133 7.291 386 HA ALA 58 HA ALA 58 8.354 1.515 8.012 387 HB1 ALA 58 HB1 ALA 58 5.978 2.093 9.771 388 HB2 ALA 58 HB2 ALA 58 7.675 2.011 10.250 389 HB3 ALA 58 HB3 ALA 58 7.080 3.272 9.188 390 H ILE 59 H ILE 59 5.246 0.087 8.136 391 HA ILE 59 HA ILE 59 5.869 -2.403 9.414 392 HB ILE 59 HB ILE 59 3.634 -1.332 7.750 393 HG12 ILE 59 1HG1 ILE 59 3.579 -2.297 10.596 394 HG13 ILE 59 2HG1 ILE 59 4.003 -0.658 10.165 395 HG21 ILE 59 1HG2 ILE 59 3.006 -3.533 7.690 396 HG22 ILE 59 2HG2 ILE 59 3.693 -3.809 8.096 397 HG23 ILE 59 3HG2 ILE 59 2.977 -3.709 8.527 398 HD11 ILE 59 1HD1 ILE 59 1.818 -0.367 9.114 399 HD12 ILE 59 2HD1 ILE 59 1.384 -1.920 9.700 400 HD13 ILE 59 3HD1 ILE 59 1.721 -0.666 10.765 401 H ILE 60 H ILE 60 5.481 -1.566 5.966 402 HA ILE 60 HA ILE 60 6.563 -3.844 4.851 403 HB ILE 60 HB ILE 60 6.663 -1.000 4.006 404 HG12 ILE 60 HG12 ILE 60 5.189 -3.465 3.051 405 HG13 ILE 60 HG13 ILE 60 4.524 -2.285 4.117 406 HG21 ILE 60 HG21 ILE 60 8.543 -2.087 2.836 407 HG22 ILE 60 HG22 ILE 60 7.509 -3.433 2.365 408 HG23 ILE 60 HG23 ILE 60 7.277 -1.841 1.725 409 HD11 ILE 60 HD11 ILE 60 4.734 -0.604 2.194 410 HD12 ILE 60 HD12 ILE 60 5.222 -2.015 1.209 411 HD13 ILE 60 HD13 ILE 60 3.634 -2.002 1.936 412 H LYS 61 H LYS 61 8.469 -1.058 5.927 413 HA LYS 61 HA LYS 61 10.945 -2.065 5.219 414 HB2 LYS 61 HB2 LYS 61 10.524 0.220 5.705 415 HB3 LYS 61 HB3 LYS 61 9.968 -0.151 7.318 416 HG2 LYS 61 HG2 LYS 61 12.126 0.802 7.528 417 HG3 LYS 61 HG3 LYS 61 12.234 -0.910 7.890 418 HD2 LYS 61 HD2 LYS 61 13.360 -1.449 6.029 419 HD3 LYS 61 HD3 LYS 61 12.937 -0.177 5.295 420 HE2 LYS 61 HE2 LYS 61 13.920 1.277 6.239 421 HE3 LYS 61 HE3 LYS 61 14.306 0.023 6.995 422 HZ1 LYS 61 HZ1 LYS 61 15.009 -0.021 4.502 423 HZ2 LYS 61 HZ2 LYS 61 15.826 0.728 5.189 424 HZ3 LYS 61 HZ3 LYS 61 15.681 -0.576 5.453 425 H ALA 62 H ALA 62 8.998 -2.984 8.022 426 HA ALA 62 HA ALA 62 11.097 -4.621 9.124 427 HB1 ALA 62 HB1 ALA 62 8.203 -4.211 9.848 428 HB2 ALA 62 HB2 ALA 62 9.303 -5.314 10.650 429 HB3 ALA 62 HB3 ALA 62 9.592 -3.617 10.664 430 H GLY 63 H GLY 63 7.948 -5.105 7.401 431 HA2 GLY 63 HA2 GLY 63 8.050 -7.873 7.718 432 HA3 GLY 63 HA3 GLY 63 6.878 -6.940 6.801 433 H GLY 64 H GLY 64 9.369 -5.982 5.113 434 HA2 GLY 64 HA2 GLY 64 10.453 -6.614 3.260 435 HA3 GLY 64 HA3 GLY 64 10.596 -8.184 3.946 436 H PHE 65 H PHE 65 7.868 -6.225 2.624 437 HA PHE 65 HA PHE 65 6.227 -8.362 2.037 438 HB2 PHE 65 HB2 PHE 65 6.391 -5.475 1.430 439 HB3 PHE 65 HB3 PHE 65 5.156 -6.482 0.700 440 HD1 PHE 65 HD1 PHE 65 6.575 -6.020 4.105 441 HD2 PHE 65 HD2 PHE 65 3.076 -6.322 1.657 442 HE1 PHE 65 HE1 PHE 65 5.188 -5.190 5.984 443 HE2 PHE 65 HE2 PHE 65 1.687 -5.631 3.563 444 HZ PHE 65 HZ PHE 65 2.757 -5.229 5.755 445 H ALA 68 H ALA 68 7.205 -10.207 5.780 446 HA ALA 68 HA ALA 68 5.278 -10.059 4.830 447 HB1 ALA 68 HB1 ALA 68 5.521 -12.940 4.109 448 HB2 ALA 68 HB2 ALA 68 4.780 -11.675 3.260 449 HB3 ALA 68 HB3 ALA 68 6.481 -11.711 3.420 450 H LYS 69 H LYS 69 5.263 -11.435 7.662 451 HA LYS 69 HA LYS 69 2.712 -12.696 7.807 452 HB2 LYS 69 HB2 LYS 69 4.659 -11.548 9.799 453 HB3 LYS 69 HB3 LYS 69 3.062 -12.049 10.295 454 HG2 LYS 69 HG2 LYS 69 3.362 -14.264 9.574 455 HG3 LYS 69 HG3 LYS 69 4.812 -13.862 8.769 456 HD2 LYS 69 HD2 LYS 69 4.560 -13.511 11.709 457 HD3 LYS 69 HD3 LYS 69 5.058 -14.987 11.013 458 HE2 LYS 69 HE2 LYS 69 6.788 -13.979 9.825 459 HE3 LYS 69 HE3 LYS 69 6.356 -12.591 10.652 460 HZ1 LYS 69 HZ1 LYS 69 7.996 -13.777 11.757 461 HZ2 LYS 69 HZ2 LYS 69 6.825 -13.681 12.645 462 HZ3 LYS 69 HZ3 LYS 69 7.122 -14.928 11.948 463 H ALA 70 H ALA 70 3.872 -9.432 8.143 464 HA ALA 70 HA ALA 70 1.473 -8.054 8.768 465 HB1 ALA 70 HB1 ALA 70 3.750 -7.186 8.974 466 HB2 ALA 70 HB2 ALA 70 3.974 -7.315 7.280 467 HB3 ALA 70 HB3 ALA 70 2.760 -6.169 7.929 468 H ALA 71 H ALA 71 2.385 -9.631 5.835 469 HA ALA 71 HA ALA 71 1.121 -7.671 4.160 470 HB1 ALA 71 HB1 ALA 71 2.096 -8.915 2.343 471 HB2 ALA 71 HB2 ALA 71 3.249 -8.857 3.619 472 HB3 ALA 71 HB3 ALA 71 2.326 -10.321 3.373 473 H ALA 72 H ALA 72 -0.437 -9.570 5.989 474 HA ALA 72 HA ALA 72 -2.721 -9.437 4.136 475 HB1 ALA 72 HB1 ALA 72 -2.501 -11.677 5.002 476 HB2 ALA 72 HB2 ALA 72 -2.460 -11.124 6.637 477 HB3 ALA 72 HB3 ALA 72 -3.883 -10.939 5.725 478 H ALA 73 H ALA 73 -1.745 -9.052 7.562 479 HA ALA 73 HA ALA 73 -3.917 -7.558 8.406 480 HB1 ALA 73 HB1 ALA 73 -2.387 -8.749 9.840 481 HB2 ALA 73 HB2 ALA 73 -1.121 -7.587 9.501 482 HB3 ALA 73 HB3 ALA 73 -2.558 -7.082 10.336 483 H ALA 74 H ALA 74 -0.930 -6.330 6.984 484 HA ALA 74 HA ALA 74 -1.358 -3.567 7.607 485 HB1 ALA 74 HB1 ALA 74 0.797 -4.686 7.185 486 HB2 ALA 74 HB2 ALA 74 0.360 -4.858 5.468 487 HB3 ALA 74 HB3 ALA 74 0.567 -3.265 6.212 488 H ILE 75 H ILE 75 -2.012 -5.664 4.973 489 HA ILE 75 HA ILE 75 -2.953 -3.753 3.043 490 HB ILE 75 HB ILE 75 -3.587 -6.686 3.122 491 HG12 ILE 75 HG12 ILE 75 -1.061 -6.296 3.279 492 HG13 ILE 75 HG13 ILE 75 -1.656 -7.260 1.948 493 HG21 ILE 75 HG21 ILE 75 -3.759 -4.498 1.197 494 HG22 ILE 75 HG22 ILE 75 -3.449 -6.110 0.555 495 HG23 ILE 75 HG23 ILE 75 -4.870 -5.800 1.544 496 HD11 ILE 75 HD11 ILE 75 -1.289 -5.478 0.375 497 HD12 ILE 75 HD12 ILE 75 -1.077 -4.349 1.647 498 HD13 ILE 75 HD13 ILE 75 0.106 -5.613 1.407 499 H LYS 76 H LYS 76 -4.474 -5.904 5.357 500 HA LYS 76 HA LYS 76 -7.130 -5.296 4.606 501 HB2 LYS 76 HB2 LYS 76 -5.762 -6.547 7.025 502 HB3 LYS 76 HB3 LYS 76 -7.494 -6.344 7.002 503 HG2 LYS 76 HG2 LYS 76 -7.645 -7.702 4.935 504 HG3 LYS 76 HG3 LYS 76 -5.914 -7.920 4.998 505 HD2 LYS 76 HD2 LYS 76 -6.098 -9.012 7.197 506 HD3 LYS 76 HD3 LYS 76 -7.803 -8.785 7.182 507 HE2 LYS 76 HE2 LYS 76 -7.988 -10.123 5.115 508 HE3 LYS 76 HE3 LYS 76 -6.289 -10.408 5.225 509 HZ1 LYS 76 HZ1 LYS 76 -6.622 -11.532 7.213 510 HZ2 LYS 76 HZ2 LYS 76 -8.124 -11.180 7.263 511 HZ3 LYS 76 HZ3 LYS 76 -7.599 -12.159 6.188 512 H ALA 77 H ALA 77 -5.003 -3.695 6.805 513 HA ALA 77 HA ALA 77 -6.914 -1.695 7.624 514 HB1 ALA 77 HB1 ALA 77 -4.773 -2.038 8.839 515 HB2 ALA 77 HB2 ALA 77 -3.891 -1.536 7.463 516 HB3 ALA 77 HB3 ALA 77 -4.931 -0.447 8.323 517 H ILE 78 H ILE 78 -4.364 -1.754 5.076 518 HA ILE 78 HA ILE 78 -5.071 0.859 4.297 519 HB ILE 78 HB ILE 78 -2.929 -0.747 3.908 520 HG12 ILE 78 HG12 ILE 78 -2.821 1.579 4.178 521 HG13 ILE 78 HG13 ILE 78 -1.853 1.015 2.853 522 HG21 ILE 78 HG21 ILE 78 -2.449 -0.989 1.598 523 HG22 ILE 78 HG22 ILE 78 -3.889 -1.900 1.995 524 HG23 ILE 78 HG23 ILE 78 -4.022 -0.382 1.163 525 HD11 ILE 78 HD11 ILE 78 -4.143 2.428 2.260 526 HD12 ILE 78 HD12 ILE 78 -3.411 2.238 1.622 527 HD13 ILE 78 HD13 ILE 78 -3.269 2.907 2.331 528 H ALA 79 H ALA 79 -6.097 -2.170 2.830 529 HA ALA 79 HA ALA 79 -7.492 -0.837 0.701 530 HB1 ALA 79 HB1 ALA 79 -8.110 -3.539 1.888 531 HB2 ALA 79 HB2 ALA 79 -8.558 -2.881 0.336 532 HB3 ALA 79 HB3 ALA 79 -6.855 -3.190 0.659 533 H ALA 80 H ALA 80 -8.426 -1.378 3.991 534 HA ALA 80 HA ALA 80 -11.235 -0.667 3.581 535 HB1 ALA 80 HB1 ALA 80 -9.620 -0.904 6.142 536 HB2 ALA 80 HB2 ALA 80 -11.315 -0.737 6.050 537 HB3 ALA 80 HB3 ALA 80 -10.553 -2.179 5.376 538 H ILE 81 H ILE 81 -8.298 0.838 4.535 539 HA ILE 81 HA ILE 81 -9.351 3.452 5.172 540 HB ILE 81 HB ILE 81 -6.614 2.338 4.616 541 HG12 ILE 81 HG12 ILE 81 -7.686 3.477 7.166 542 HG13 ILE 81 HG13 ILE 81 -7.843 1.786 6.759 543 HG21 ILE 81 HG21 ILE 81 -7.281 5.152 5.411 544 HG22 ILE 81 HG22 ILE 81 -5.676 4.456 5.388 545 HG23 ILE 81 HG23 ILE 81 -6.561 4.658 3.917 546 HD11 ILE 81 HD11 ILE 81 -5.390 1.589 6.609 547 HD12 ILE 81 HD12 ILE 81 -5.247 3.213 7.197 548 HD13 ILE 81 HD13 ILE 81 -6.005 1.983 8.182 549 H ILE 82 H ILE 82 -7.793 2.150 2.256 550 HA ILE 82 HA ILE 82 -8.265 4.271 0.543 551 HB ILE 82 HB ILE 82 -8.165 1.307 0.097 552 HG12 ILE 82 HG12 ILE 82 -6.261 3.576 -0.554 553 HG13 ILE 82 HG13 ILE 82 -6.163 2.576 0.875 554 HG21 ILE 82 HG21 ILE 82 -8.182 3.456 -2.049 555 HG22 ILE 82 HG22 ILE 82 -7.880 1.773 -2.345 556 HG23 ILE 82 HG23 ILE 82 -9.434 2.261 -1.827 557 HD11 ILE 82 HD11 ILE 82 -5.784 1.622 -1.949 558 HD12 ILE 82 HD12 ILE 82 -4.600 1.823 -0.771 559 HD13 ILE 82 HD13 ILE 82 -5.827 0.576 -0.582 560 H LYS 83 H LYS 83 -10.528 1.680 1.254 561 HA LYS 83 HA LYS 83 -12.696 2.613 -0.326 562 HB2 LYS 83 HB2 LYS 83 -12.643 0.398 0.441 563 HB3 LYS 83 HB3 LYS 83 -12.335 0.918 2.089 564 HG2 LYS 83 HG2 LYS 83 -14.557 0.064 1.953 565 HG3 LYS 83 HG3 LYS 83 -14.567 1.773 2.287 566 HD2 LYS 83 HD2 LYS 83 -14.788 1.905 -0.402 567 HD3 LYS 83 HD3 LYS 83 -15.459 0.326 -0.150 568 HE2 LYS 83 HE2 LYS 83 -16.979 1.155 1.525 569 HE3 LYS 83 HE3 LYS 83 -16.270 2.720 1.321 570 HZ1 LYS 83 HZ1 LYS 83 -17.686 1.333 -0.734 571 HZ2 LYS 83 HZ2 LYS 83 -18.229 2.536 0.145 572 HZ3 LYS 83 HZ3 LYS 83 -17.059 2.749 -0.840 573 H ALA 84 H ALA 84 -11.494 3.903 2.671 574 HA ALA 84 HA ALA 84 -13.817 5.665 2.821 575 HB1 ALA 84 HB1 ALA 84 -12.968 4.821 4.913 576 HB2 ALA 84 HB2 ALA 84 -11.393 5.443 4.588 577 HB3 ALA 84 HB3 ALA 84 -12.737 6.522 4.789 578 H GLY 85 H GLY 85 -10.360 5.880 2.152 579 HA2 GLY 85 HA2 GLY 85 -10.387 8.686 2.013 580 HA3 GLY 85 HA3 GLY 85 -9.056 7.572 1.833 581 H GLY 86 H GLY 86 -10.435 6.377 -0.618 582 HA2 GLY 86 HA2 GLY 86 -10.632 6.852 -2.872 583 HA3 GLY 86 HA3 GLY 86 -10.890 8.489 -2.418 584 H PHE 87 H PHE 87 -8.164 6.175 -2.570 585 HA PHE 87 HA PHE 87 -6.132 8.157 -2.451 586 HB2 PHE 87 HB2 PHE 87 -6.300 5.215 -2.662 587 HB3 PHE 87 HB3 PHE 87 -4.798 6.074 -2.948 588 HD1 PHE 87 HD1 PHE 87 -7.615 5.983 -0.517 589 HD2 PHE 87 HD2 PHE 87 -3.345 6.367 -0.997 590 HE1 PHE 87 HE1 PHE 87 -7.266 5.663 1.917 591 HE2 PHE 87 HE2 PHE 87 -3.042 6.038 1.335 592 HZ PHE 87 HZ PHE 87 -5.032 5.886 2.859 593 H1 ACE 1 H1 ACE 1 1.693 11.419 -1.857 594 H2 ACE 1 H2 ACE 1 2.346 11.554 -1.193 595 H3 ACE 1 H3 ACE 1 2.074 10.712 -1.468 596 HN1 NH2 22 HN1 NH2 22 -5.785 -9.952 2.986 597 HN2 NH2 22 HN2 NH2 22 -6.113 -9.102 1.553 598 H1 ACE 23 H1 ACE 23 -3.718 -14.386 -1.405 599 H2 ACE 23 H2 ACE 23 -3.807 -14.350 -1.671 600 H3 ACE 23 H3 ACE 23 -3.605 -14.537 -1.590 601 HN1 NH2 44 HN1 NH2 44 5.236 8.954 4.983 602 HN2 NH2 44 HN2 NH2 44 5.732 8.316 3.481 603 H1 ACE 45 H1 ACE 45 -9.426 12.760 -2.082 604 H2 ACE 45 H2 ACE 45 -9.400 11.805 -1.966 605 H3 ACE 45 H3 ACE 45 -9.476 12.395 -1.197 606 HN1 NH2 66 HN1 NH2 66 8.123 -7.618 -1.538 607 HN2 NH2 66 HN2 NH2 66 8.445 -6.671 -0.133 608 H1 ACE 67 H1 ACE 67 8.619 -11.512 7.770 609 H2 ACE 67 H2 ACE 67 8.689 -11.419 7.535 610 H3 ACE 67 H3 ACE 67 8.534 -11.287 7.677 611 HN1 NH2 88 HN1 NH2 88 -6.431 6.747 -6.329 612 HN2 NH2 88 HN2 NH2 88 -7.173 5.900 -5.049 Start of MODEL 9 1 H1 ALA 2 H1 ALA 2 2.333 13.942 -1.335 2 HA ALA 2 HA ALA 2 0.716 12.721 -2.093 3 HB1 ALA 2 HB1 ALA 2 -0.984 14.782 -1.575 4 HB2 ALA 2 HB2 ALA 2 -0.829 13.963 -0.981 5 HB3 ALA 2 HB3 ALA 2 -1.325 13.832 -1.856 6 H LYS 3 H LYS 3 2.011 14.823 -4.072 7 HA LYS 3 HA LYS 3 0.480 14.771 -6.406 8 HB2 LYS 3 HB2 LYS 3 3.480 14.796 -6.033 9 HB3 LYS 3 HB3 LYS 3 2.645 15.179 -7.494 10 HG2 LYS 3 HG2 LYS 3 2.512 16.776 -4.984 11 HG3 LYS 3 HG3 LYS 3 3.468 17.110 -6.373 12 HD2 LYS 3 HD2 LYS 3 1.430 17.278 -7.707 13 HD3 LYS 3 HD3 LYS 3 0.587 17.058 -6.260 14 HE2 LYS 3 HE2 LYS 3 1.395 19.094 -5.344 15 HE3 LYS 3 HE3 LYS 3 2.478 19.202 -6.583 16 HZ1 LYS 3 HZ1 LYS 3 -0.021 19.539 -6.929 17 HZ2 LYS 3 HZ2 LYS 3 0.959 20.639 -7.010 18 HZ3 LYS 3 HZ3 LYS 3 0.938 19.499 -7.948 19 H ALA 4 H ALA 4 2.604 12.501 -4.963 20 HA ALA 4 HA ALA 4 2.671 10.543 -7.113 21 HB1 ALA 4 HB1 ALA 4 4.520 11.063 -5.509 22 HB2 ALA 4 HB2 ALA 4 3.491 10.511 -4.221 23 HB3 ALA 4 HB3 ALA 4 4.055 9.380 -5.427 24 H ALA 5 H ALA 5 0.306 11.247 -4.798 25 HA ALA 5 HA ALA 5 -0.001 8.698 -3.670 26 HB1 ALA 5 HB1 ALA 5 -2.096 9.589 -2.764 27 HB2 ALA 5 HB2 ALA 5 -0.776 10.749 -2.587 28 HB3 ALA 5 HB3 ALA 5 -1.981 11.001 -3.783 29 H ALA 6 H ALA 6 -2.068 10.098 -6.204 30 HA ALA 6 HA ALA 6 -3.677 7.943 -6.595 31 HB1 ALA 6 HB1 ALA 6 -2.676 9.774 -8.711 32 HB2 ALA 6 HB2 ALA 6 -4.157 8.860 -8.764 33 HB3 ALA 6 HB3 ALA 6 -3.956 10.112 -7.616 34 H ALA 7 H ALA 7 -0.555 8.407 -7.993 35 HA ALA 7 HA ALA 7 -0.436 5.999 -9.514 36 HB1 ALA 7 HB1 ALA 7 1.928 6.454 -9.657 37 HB2 ALA 7 HB2 ALA 7 1.012 7.910 -9.925 38 HB3 ALA 7 HB3 ALA 7 1.830 7.658 -8.386 39 H ALA 8 H ALA 8 0.204 6.449 -6.009 40 HA ALA 8 HA ALA 8 1.316 3.811 -5.820 41 HB1 ALA 8 HB1 ALA 8 1.209 4.458 -3.400 42 HB2 ALA 8 HB2 ALA 8 1.981 5.655 -4.347 43 HB3 ALA 8 HB3 ALA 8 0.361 5.880 -3.777 44 H ILE 9 H ILE 9 -1.774 5.429 -5.196 45 HA ILE 9 HA ILE 9 -3.010 3.139 -4.095 46 HB ILE 9 HB ILE 9 -4.528 5.246 -5.595 47 HG12 ILE 9 1HG1 ILE 9 -3.343 6.655 -4.237 48 HG13 ILE 9 2HG1 ILE 9 -4.905 6.435 -3.497 49 HG21 ILE 9 1HG2 ILE 9 -5.477 3.661 -3.850 50 HG22 ILE 9 2HG2 ILE 9 -5.908 3.977 -3.978 51 HG23 ILE 9 3HG2 ILE 9 -5.708 3.599 -4.364 52 HD11 ILE 9 1HD1 ILE 9 -2.992 5.185 -2.250 53 HD12 ILE 9 2HD1 ILE 9 -2.978 5.886 -2.076 54 HD13 ILE 9 3HD1 ILE 9 -3.532 5.479 -1.895 55 H LYS 10 H LYS 10 -3.007 4.418 -7.355 56 HA LYS 10 HA LYS 10 -4.811 2.410 -8.278 57 HB2 LYS 10 HB2 LYS 10 -3.121 4.517 -9.700 58 HB3 LYS 10 HB3 LYS 10 -4.233 3.474 -10.555 59 HG2 LYS 10 HG2 LYS 10 -6.068 4.341 -9.000 60 HG3 LYS 10 HG3 LYS 10 -4.932 5.547 -8.453 61 HD2 LYS 10 HD2 LYS 10 -4.605 6.362 -10.716 62 HD3 LYS 10 HD3 LYS 10 -5.790 5.266 -11.280 63 HE2 LYS 10 HE2 LYS 10 -7.464 6.256 -9.750 64 HE3 LYS 10 HE3 LYS 10 -6.240 7.342 -9.285 65 HZ1 LYS 10 HZ1 LYS 10 -7.326 7.200 -11.834 66 HZ2 LYS 10 HZ2 LYS 10 -7.659 8.313 -10.901 67 HZ3 LYS 10 HZ3 LYS 10 -6.241 8.148 -11.445 68 H ALA 11 H ALA 11 -1.441 2.428 -8.092 69 HA ALA 11 HA ALA 11 -1.182 -0.196 -9.377 70 HB1 ALA 11 HB1 ALA 11 0.789 1.128 -9.008 71 HB2 ALA 11 HB2 ALA 11 0.526 1.099 -7.270 72 HB3 ALA 11 HB3 ALA 11 0.890 -0.345 -8.138 73 H ILE 12 H ILE 12 -1.258 0.693 -5.939 74 HA ILE 12 HA ILE 12 -1.244 -2.086 -5.379 75 HB ILE 12 HB ILE 12 -0.385 0.006 -4.103 76 HG12 ILE 12 HG12 ILE 12 0.422 -2.131 -3.693 77 HG13 ILE 12 HG13 ILE 12 0.228 -1.236 -2.236 78 HG21 ILE 12 HG21 ILE 12 -2.439 0.942 -3.424 79 HG22 ILE 12 HG22 ILE 12 -2.835 -0.539 -2.546 80 HG23 ILE 12 HG23 ILE 12 -1.554 0.455 -2.038 81 HD11 ILE 12 HD11 ILE 12 -1.717 -2.531 -1.690 82 HD12 ILE 12 HD12 ILE 12 -1.525 -3.416 -3.081 83 HD13 ILE 12 HD13 ILE 12 -0.352 -3.466 -1.870 84 H ALA 13 H ALA 13 -3.997 0.158 -5.256 85 HA ALA 13 HA ALA 13 -5.665 -1.812 -3.974 86 HB1 ALA 13 HB1 ALA 13 -6.162 0.625 -3.955 87 HB2 ALA 13 HB2 ALA 13 -6.464 0.564 -5.657 88 HB3 ALA 13 HB3 ALA 13 -7.484 -0.302 -4.562 89 H ALA 14 H ALA 14 -4.883 -1.093 -7.217 90 HA ALA 14 HA ALA 14 -6.899 -2.791 -8.490 91 HB1 ALA 14 HB1 ALA 14 -5.752 -2.279 -10.557 92 HB2 ALA 14 HB2 ALA 14 -6.054 -0.846 -9.693 93 HB3 ALA 14 HB3 ALA 14 -4.468 -1.571 -9.719 94 H ILE 15 H ILE 15 -3.558 -3.048 -7.547 95 HA ILE 15 HA ILE 15 -3.098 -5.676 -8.619 96 HB ILE 15 HB ILE 15 -1.689 -3.990 -6.580 97 HG12 ILE 15 HG12 ILE 15 -0.728 -4.812 -9.300 98 HG13 ILE 15 HG13 ILE 15 -1.653 -3.352 -9.112 99 HG21 ILE 15 HG21 ILE 15 -0.943 -6.651 -7.734 100 HG22 ILE 15 HG22 ILE 15 0.186 -5.650 -6.856 101 HG23 ILE 15 HG23 ILE 15 -1.211 -6.239 -6.061 102 HD11 ILE 15 HD11 ILE 15 0.477 -2.631 -8.793 103 HD12 ILE 15 HD12 ILE 15 0.248 -2.837 -7.536 104 HD13 ILE 15 HD13 ILE 15 0.968 -3.674 -8.209 105 H ILE 16 H ILE 16 -3.971 -4.497 -5.349 106 HA ILE 16 HA ILE 16 -4.549 -6.919 -4.161 107 HB ILE 16 HB ILE 16 -5.755 -4.207 -3.834 108 HG12 ILE 16 HG12 ILE 16 -3.929 -6.015 -2.198 109 HG13 ILE 16 HG13 ILE 16 -3.403 -4.670 -3.167 110 HG21 ILE 16 HG21 ILE 16 -6.891 -4.914 -1.784 111 HG22 ILE 16 HG22 ILE 16 -7.529 -5.756 -3.090 112 HG23 ILE 16 HG23 ILE 16 -6.397 -6.575 -2.065 113 HD11 ILE 16 HD11 ILE 16 -3.450 -3.964 -0.869 114 HD12 ILE 16 HD12 ILE 16 -4.798 -3.165 -1.665 115 HD13 ILE 16 HD13 ILE 16 -5.023 -4.615 -0.616 116 H LYS 17 H LYS 17 -6.804 -5.067 -6.113 117 HA LYS 17 HA LYS 17 -8.916 -6.906 -6.070 118 HB2 LYS 17 HB2 LYS 17 -9.224 -4.689 -6.789 119 HB3 LYS 17 HB3 LYS 17 -7.979 -4.803 -7.987 120 HG2 LYS 17 HG2 LYS 17 -10.056 -4.744 -9.109 121 HG3 LYS 17 HG3 LYS 17 -9.430 -6.346 -9.283 122 HD2 LYS 17 HD2 LYS 17 -11.710 -6.642 -8.860 123 HD3 LYS 17 HD3 LYS 17 -10.935 -7.006 -7.353 124 HE2 LYS 17 HE2 LYS 17 -11.429 -4.797 -6.499 125 HE3 LYS 17 HE3 LYS 17 -12.126 -4.378 -8.029 126 HZ1 LYS 17 HZ1 LYS 17 -13.742 -6.107 -7.681 127 HZ2 LYS 17 HZ2 LYS 17 -13.164 -6.331 -6.251 128 HZ3 LYS 17 HZ3 LYS 17 -13.824 -4.970 -6.616 129 H ALA 18 H ALA 18 -5.982 -7.124 -7.874 130 HA ALA 18 HA ALA 18 -6.923 -9.440 -9.338 131 HB1 ALA 18 HB1 ALA 18 -4.200 -8.234 -9.329 132 HB2 ALA 18 HB2 ALA 18 -4.838 -9.373 -10.415 133 HB3 ALA 18 HB3 ALA 18 -5.411 -7.801 -10.422 134 H GLY 19 H GLY 19 -4.560 -8.820 -6.743 135 HA2 GLY 19 HA2 GLY 19 -3.642 -11.391 -6.521 136 HA3 GLY 19 HA3 GLY 19 -3.553 -10.144 -5.289 137 H GLY 20 H GLY 20 -6.230 -9.855 -4.686 138 HA2 GLY 20 HA2 GLY 20 -8.084 -10.913 -3.703 139 HA3 GLY 20 HA3 GLY 20 -7.274 -12.433 -3.787 140 H PHE 21 H PHE 21 -5.700 -9.609 -2.404 141 HA PHE 21 HA PHE 21 -5.044 -10.847 0.032 142 HB2 PHE 21 HB2 PHE 21 -5.062 -7.963 -0.584 143 HB3 PHE 21 HB3 PHE 21 -4.136 -8.825 0.615 144 HD1 PHE 21 HD1 PHE 21 -4.506 -8.466 -3.053 145 HD2 PHE 21 HD2 PHE 21 -1.869 -9.344 0.207 146 HE1 PHE 21 HE1 PHE 21 -2.612 -7.677 -4.341 147 HE2 PHE 21 HE2 PHE 21 0.007 -8.740 -1.102 148 HZ PHE 21 HZ PHE 21 -0.333 -7.775 -3.371 149 H ALA 24 H ALA 24 -2.028 -13.821 0.064 150 HA ALA 24 HA ALA 24 -0.299 -11.706 -0.750 151 HB1 ALA 24 HB1 ALA 24 -0.045 -13.983 1.217 152 HB2 ALA 24 HB2 ALA 24 1.069 -12.642 1.071 153 HB3 ALA 24 HB3 ALA 24 -0.609 -12.384 1.540 154 H LYS 25 H LYS 25 -0.583 -14.737 -2.107 155 HA LYS 25 HA LYS 25 1.924 -15.258 -3.150 156 HB2 LYS 25 HB2 LYS 25 -0.716 -15.137 -4.646 157 HB3 LYS 25 HB3 LYS 25 0.755 -15.935 -5.169 158 HG2 LYS 25 HG2 LYS 25 0.640 -17.447 -3.257 159 HG3 LYS 25 HG3 LYS 25 -0.883 -16.732 -2.878 160 HD2 LYS 25 HD2 LYS 25 -1.765 -17.282 -5.092 161 HD3 LYS 25 HD3 LYS 25 -0.307 -18.101 -5.395 162 HE2 LYS 25 HE2 LYS 25 -0.618 -19.651 -3.669 163 HE3 LYS 25 HE3 LYS 25 -1.910 -18.789 -3.192 164 HZ1 LYS 25 HZ1 LYS 25 -1.962 -19.908 -5.527 165 HZ2 LYS 25 HZ2 LYS 25 -2.440 -20.704 -4.410 166 HZ3 LYS 25 HZ3 LYS 25 -3.051 -19.412 -4.793 167 H ALA 26 H ALA 26 -0.251 -12.625 -3.908 168 HA ALA 26 HA ALA 26 1.334 -11.465 -6.009 169 HB1 ALA 26 HB1 ALA 26 -1.102 -11.493 -5.927 170 HB2 ALA 26 HB2 ALA 26 -1.100 -10.620 -4.447 171 HB3 ALA 26 HB3 ALA 26 -0.533 -9.888 -5.923 172 H ALA 27 H ALA 27 1.873 -11.370 -2.700 173 HA ALA 27 HA ALA 27 1.785 -8.632 -2.188 174 HB1 ALA 27 HB1 ALA 27 3.324 -10.766 -0.776 175 HB2 ALA 27 HB2 ALA 27 2.947 -9.181 -0.151 176 HB3 ALA 27 HB3 ALA 27 1.639 -10.260 -0.495 177 H ALA 28 H ALA 28 4.704 -10.488 -3.000 178 HA ALA 28 HA ALA 28 6.436 -8.302 -2.784 179 HB1 ALA 28 HB1 ALA 28 7.722 -9.998 -3.627 180 HB2 ALA 28 HB2 ALA 28 7.022 -10.637 -3.580 181 HB3 ALA 28 HB3 ALA 28 7.219 -10.178 -4.451 182 H ALA 29 H ALA 29 4.580 -9.387 -5.528 183 HA ALA 29 HA ALA 29 5.399 -7.425 -7.382 184 HB1 ALA 29 HB1 ALA 29 3.309 -8.403 -8.308 185 HB2 ALA 29 HB2 ALA 29 3.947 -9.066 -8.112 186 HB3 ALA 29 HB3 ALA 29 3.185 -8.949 -7.575 187 H ALA 30 H ALA 30 2.828 -7.184 -4.824 188 HA ALA 30 HA ALA 30 1.880 -4.715 -5.915 189 HB1 ALA 30 HB1 ALA 30 0.494 -4.749 -3.939 190 HB2 ALA 30 HB2 ALA 30 0.496 -6.286 -4.581 191 HB3 ALA 30 HB3 ALA 30 1.433 -5.944 -3.243 192 H ILE 31 H ILE 31 3.943 -5.777 -3.289 193 HA ILE 31 HA ILE 31 4.076 -3.249 -2.070 194 HB ILE 31 HB ILE 31 5.792 -5.653 -1.683 195 HG12 ILE 31 HG12 ILE 31 3.253 -5.944 -1.450 196 HG13 ILE 31 HG13 ILE 31 4.256 -6.573 -0.191 197 HG21 ILE 31 HG21 ILE 31 5.547 -3.138 -0.281 198 HG22 ILE 31 HG22 ILE 31 5.779 -4.501 0.748 199 HG23 ILE 31 HG23 ILE 31 6.933 -4.132 -0.516 200 HD11 ILE 31 HD11 ILE 31 2.204 -5.486 0.529 201 HD12 ILE 31 HD12 ILE 31 3.646 -4.804 1.304 202 HD13 ILE 31 HD13 ILE 31 2.818 -3.933 -0.037 203 H LYS 32 H LYS 32 6.210 -4.979 -4.253 204 HA LYS 32 HA LYS 32 8.433 -3.186 -4.047 205 HB2 LYS 32 HB2 LYS 32 7.663 -5.406 -5.946 206 HB3 LYS 32 HB3 LYS 32 9.100 -4.444 -6.176 207 HG2 LYS 32 HG2 LYS 32 9.911 -5.116 -3.920 208 HG3 LYS 32 HG3 LYS 32 8.491 -6.087 -3.694 209 HD2 LYS 32 HD2 LYS 32 9.070 -7.403 -5.738 210 HD3 LYS 32 HD3 LYS 32 10.531 -6.502 -5.840 211 HE2 LYS 32 HE2 LYS 32 11.251 -7.257 -3.646 212 HE3 LYS 32 HE3 LYS 32 9.778 -8.123 -3.524 213 HZ1 LYS 32 HZ1 LYS 32 11.749 -8.599 -5.499 214 HZ2 LYS 32 HZ2 LYS 32 11.475 -9.554 -4.313 215 HZ3 LYS 32 HZ3 LYS 32 10.433 -9.364 -5.397 216 H ALA 33 H ALA 33 5.553 -3.185 -5.893 217 HA ALA 33 HA ALA 33 6.261 -0.879 -7.517 218 HB1 ALA 33 HB1 ALA 33 3.894 -0.718 -7.864 219 HB2 ALA 33 HB2 ALA 33 4.382 -2.341 -8.064 220 HB3 ALA 33 HB3 ALA 33 3.534 -1.831 -6.662 221 H ILE 34 H ILE 34 4.366 -1.274 -4.538 222 HA ILE 34 HA ILE 34 4.054 1.572 -4.357 223 HB ILE 34 HB ILE 34 2.640 -0.508 -3.569 224 HG12 ILE 34 HG12 ILE 34 1.856 1.734 -3.875 225 HG13 ILE 34 HG13 ILE 34 1.137 0.892 -2.522 226 HG21 ILE 34 HG21 ILE 34 2.546 -0.718 -1.155 227 HG22 ILE 34 HG22 ILE 34 4.052 -1.201 -1.785 228 HG23 ILE 34 HG23 ILE 34 3.932 0.318 -0.984 229 HD11 ILE 34 HD11 ILE 34 3.118 3.052 -2.345 230 HD12 ILE 34 HD12 ILE 34 1.466 3.139 -1.865 231 HD13 ILE 34 HD13 ILE 34 2.559 2.153 -0.994 232 H ALA 35 H ALA 35 6.284 -0.533 -2.512 233 HA ALA 35 HA ALA 35 7.197 1.659 -0.925 234 HB1 ALA 35 HB1 ALA 35 7.614 -0.609 -0.340 235 HB2 ALA 35 HB2 ALA 35 8.618 -0.819 -1.747 236 HB3 ALA 35 HB3 ALA 35 9.097 0.283 -0.496 237 H ALA 36 H ALA 36 7.942 0.738 -4.201 238 HA ALA 36 HA ALA 36 10.324 2.430 -4.380 239 HB1 ALA 36 HB1 ALA 36 8.852 0.918 -6.524 240 HB2 ALA 36 HB2 ALA 36 10.391 1.701 -6.696 241 HB3 ALA 36 HB3 ALA 36 10.231 0.330 -5.602 242 H ILE 37 H ILE 37 6.993 2.551 -5.284 243 HA ILE 37 HA ILE 37 6.971 5.103 -6.608 244 HB ILE 37 HB ILE 37 4.853 3.473 -5.251 245 HG12 ILE 37 1HG1 ILE 37 5.147 4.043 -8.179 246 HG13 ILE 37 2HG1 ILE 37 6.004 2.709 -7.429 247 HG21 ILE 37 1HG2 ILE 37 4.508 5.998 -6.831 248 HG22 ILE 37 2HG2 ILE 37 3.241 4.893 -6.450 249 HG23 ILE 37 3HG2 ILE 37 4.054 5.734 -5.167 250 HD11 ILE 37 1HD1 ILE 37 3.601 2.161 -7.225 251 HD12 ILE 37 2HD1 ILE 37 3.517 2.443 -7.632 252 HD13 ILE 37 3HD1 ILE 37 3.785 1.980 -7.639 253 H ILE 38 H ILE 38 6.330 4.132 -3.194 254 HA ILE 38 HA ILE 38 6.237 6.636 -2.151 255 HB ILE 38 HB ILE 38 7.101 4.018 -1.018 256 HG12 ILE 38 HG12 ILE 38 4.696 5.881 -0.708 257 HG13 ILE 38 HG13 ILE 38 4.760 4.423 -1.665 258 HG21 ILE 38 HG21 ILE 38 6.805 6.572 0.555 259 HG22 ILE 38 HG22 ILE 38 7.018 4.980 1.246 260 HG23 ILE 38 HG23 ILE 38 8.270 5.722 0.324 261 HD11 ILE 38 HD11 ILE 38 5.172 3.166 0.542 262 HD12 ILE 38 HD12 ILE 38 4.803 4.685 1.332 263 HD13 ILE 38 HD13 ILE 38 3.614 3.908 0.343 264 H LYS 39 H LYS 39 9.138 4.747 -2.514 265 HA LYS 39 HA LYS 39 11.021 6.532 -1.469 266 HB2 LYS 39 HB2 LYS 39 11.387 4.209 -1.947 267 HB3 LYS 39 HB3 LYS 39 11.106 4.507 -3.652 268 HG2 LYS 39 HG2 LYS 39 13.424 4.215 -3.361 269 HG3 LYS 39 HG3 LYS 39 13.100 5.868 -3.749 270 HD2 LYS 39 HD2 LYS 39 14.844 5.788 -2.110 271 HD3 LYS 39 HD3 LYS 39 13.427 6.463 -1.383 272 HE2 LYS 39 HE2 LYS 39 12.845 4.356 -0.373 273 HE3 LYS 39 HE3 LYS 39 14.114 3.596 -1.201 274 HZ1 LYS 39 HZ1 LYS 39 14.567 5.332 0.874 275 HZ2 LYS 39 HZ2 LYS 39 15.383 4.957 0.145 276 HZ3 LYS 39 HZ3 LYS 39 14.867 4.216 0.811 277 H ALA 40 H ALA 40 9.377 6.632 -4.528 278 HA ALA 40 HA ALA 40 10.948 8.899 -5.485 279 HB1 ALA 40 HB1 ALA 40 10.271 7.245 -7.103 280 HB2 ALA 40 HB2 ALA 40 8.612 7.494 -6.785 281 HB3 ALA 40 HB3 ALA 40 9.547 8.735 -7.450 282 H GLY 41 H GLY 41 7.613 8.329 -4.284 283 HA2 GLY 41 HA2 GLY 41 6.738 10.898 -4.804 284 HA3 GLY 41 HA3 GLY 41 5.939 9.617 -3.880 285 H GLY 42 H GLY 42 8.259 9.692 -1.883 286 HA2 GLY 42 HA2 GLY 42 9.130 11.011 -0.233 287 HA3 GLY 42 HA3 GLY 42 8.405 12.378 -0.962 288 H PHE 43 H PHE 43 6.530 9.641 -0.146 289 HA PHE 43 HA PHE 43 4.520 10.943 1.335 290 HB2 PHE 43 HB2 PHE 43 5.264 8.047 1.162 291 HB3 PHE 43 HB3 PHE 43 3.818 8.724 1.851 292 HD1 PHE 43 HD1 PHE 43 5.720 8.195 -1.223 293 HD2 PHE 43 HD2 PHE 43 1.997 9.476 0.340 294 HE1 PHE 43 HE1 PHE 43 4.598 7.360 -3.234 295 HE2 PHE 43 HE2 PHE 43 0.932 8.954 -1.770 296 HZ PHE 43 HZ PHE 43 2.180 7.759 -3.535 297 H ALA 46 H ALA 46 -7.461 11.795 -1.634 298 HA ALA 46 HA ALA 46 -5.530 11.220 -0.884 299 HB1 ALA 46 HB1 ALA 46 -3.636 11.983 -2.064 300 HB2 ALA 46 HB2 ALA 46 -4.994 12.032 -3.077 301 HB3 ALA 46 HB3 ALA 46 -4.331 13.465 -2.341 302 H LYS 47 H LYS 47 -6.895 13.520 0.638 303 HA LYS 47 HA LYS 47 -4.908 14.433 2.433 304 HB2 LYS 47 1HB LYS 47 -7.810 13.958 2.956 305 HB3 LYS 47 2HB LYS 47 -6.749 14.930 3.896 306 HG2 LYS 47 1HG LYS 47 -7.666 15.488 1.080 307 HG3 LYS 47 2HG LYS 47 -8.208 16.266 2.536 308 HD2 LYS 47 1HD LYS 47 -6.048 17.225 2.941 309 HD3 LYS 47 2HD LYS 47 -5.427 16.444 1.566 310 HE2 LYS 47 1HE LYS 47 -7.071 17.522 0.125 311 HE3 LYS 47 2HE LYS 47 -7.544 18.389 1.516 312 HZ1 LYS 47 1HZ LYS 47 -5.818 19.484 0.893 313 HZ2 LYS 47 2HZ LYS 47 -5.281 18.922 1.078 314 HZ3 LYS 47 3HZ LYS 47 -5.435 19.073 0.291 315 H ALA 48 H ALA 48 -6.792 11.545 2.218 316 HA ALA 48 HA ALA 48 -6.088 10.285 4.647 317 HB1 ALA 48 HB1 ALA 48 -8.098 9.859 3.322 318 HB2 ALA 48 HB2 ALA 48 -7.137 9.312 1.967 319 HB3 ALA 48 HB3 ALA 48 -7.132 8.394 3.468 320 H ALA 49 H ALA 49 -4.261 10.840 1.753 321 HA ALA 49 HA ALA 49 -3.170 8.331 1.350 322 HB1 ALA 49 HB1 ALA 49 -1.913 10.996 0.626 323 HB2 ALA 49 HB2 ALA 49 -1.630 9.433 -0.068 324 HB3 ALA 49 HB3 ALA 49 -3.178 10.225 -0.245 325 H ALA 50 H ALA 50 -1.569 11.028 3.007 326 HA ALA 50 HA ALA 50 0.471 9.403 4.063 327 HB1 ALA 50 HB1 ALA 50 -0.371 12.172 4.871 328 HB2 ALA 50 HB2 ALA 50 1.149 11.473 5.232 329 HB3 ALA 50 HB3 ALA 50 0.731 11.773 3.576 330 H ALA 51 H ALA 51 -2.562 9.021 5.033 331 HA ALA 51 HA ALA 51 -1.637 8.081 7.670 332 HB1 ALA 51 HB1 ALA 51 -3.962 7.530 8.077 333 HB2 ALA 51 HB2 ALA 51 -3.788 9.174 7.689 334 HB3 ALA 51 HB3 ALA 51 -4.384 8.071 6.513 335 H ALA 52 H ALA 52 -3.322 6.858 4.681 336 HA ALA 52 HA ALA 52 -3.233 4.237 5.319 337 HB1 ALA 52 HB1 ALA 52 -4.212 4.504 3.221 338 HB2 ALA 52 HB2 ALA 52 -4.035 5.548 3.202 339 HB3 ALA 52 HB3 ALA 52 -3.380 4.869 2.712 340 H ILE 53 H ILE 53 -1.024 5.749 2.963 341 HA ILE 53 HA ILE 53 0.404 3.280 2.644 342 HB ILE 53 HB ILE 53 1.457 4.106 0.979 343 HG12 ILE 53 HG12 ILE 53 2.676 5.957 1.885 344 HG13 ILE 53 HG13 ILE 53 1.942 6.382 0.356 345 HG21 ILE 53 HG21 ILE 53 -0.955 5.911 0.924 346 HG22 ILE 53 HG22 ILE 53 -0.033 5.383 -0.429 347 HG23 ILE 53 HG23 ILE 53 -0.951 4.208 0.503 348 HD11 ILE 53 HD11 ILE 53 0.245 7.686 1.427 349 HD12 ILE 53 HD12 ILE 53 0.695 7.037 3.026 350 HD13 ILE 53 HD13 ILE 53 1.754 8.156 2.213 351 H LYS 54 H LYS 54 0.671 5.896 4.737 352 HA LYS 54 HA LYS 54 3.490 5.743 5.245 353 HB2 LYS 54 1HB LYS 54 1.227 7.443 5.880 354 HB3 LYS 54 2HB LYS 54 2.050 7.134 7.334 355 HG2 LYS 54 1HG LYS 54 3.365 8.156 4.852 356 HG3 LYS 54 2HG LYS 54 2.761 9.136 6.118 357 HD2 LYS 54 1HD LYS 54 4.917 7.160 6.382 358 HD3 LYS 54 2HD LYS 54 5.126 8.832 6.171 359 HE2 LYS 54 1HE LYS 54 3.762 7.556 8.456 360 HE3 LYS 54 2HE LYS 54 5.377 8.129 8.376 361 HZ1 LYS 54 1HZ LYS 54 3.628 9.537 8.611 362 HZ2 LYS 54 2HZ LYS 54 4.336 9.948 8.822 363 HZ3 LYS 54 3HZ LYS 54 4.048 10.045 8.117 364 H ALA 55 H ALA 55 0.546 4.658 6.817 365 HA ALA 55 HA ALA 55 1.716 3.146 8.894 366 HB1 ALA 55 HB1 ALA 55 -0.677 2.269 7.788 367 HB2 ALA 55 HB2 ALA 55 -0.424 2.403 8.862 368 HB3 ALA 55 HB3 ALA 55 -0.721 3.298 8.241 369 H ILE 56 H ILE 56 0.921 2.250 5.541 370 HA ILE 56 HA ILE 56 1.933 -0.377 5.749 371 HB ILE 56 HB ILE 56 0.751 1.248 3.799 372 HG12 ILE 56 HG12 ILE 56 -0.078 -0.834 4.619 373 HG13 ILE 56 HG13 ILE 56 -0.059 -0.706 2.881 374 HG21 ILE 56 HG21 ILE 56 2.989 -0.158 2.593 375 HG22 ILE 56 HG22 ILE 56 1.645 0.457 1.762 376 HG23 ILE 56 HG23 ILE 56 2.694 1.485 2.580 377 HD11 ILE 56 HD11 ILE 56 1.841 -2.088 2.754 378 HD12 ILE 56 HD12 ILE 56 1.885 -2.133 4.449 379 HD13 ILE 56 HD13 ILE 56 0.632 -2.858 3.616 380 H ALA 57 H ALA 57 3.673 2.526 4.728 381 HA ALA 57 HA ALA 57 6.043 1.106 4.107 382 HB1 ALA 57 HB1 ALA 57 5.778 3.909 5.083 383 HB2 ALA 57 HB2 ALA 57 7.119 3.270 4.212 384 HB3 ALA 57 HB3 ALA 57 5.564 3.426 3.437 385 H ALA 58 H ALA 58 4.913 2.295 7.152 386 HA ALA 58 HA ALA 58 7.348 1.778 8.642 387 HB1 ALA 58 HB1 ALA 58 5.920 2.260 10.585 388 HB2 ALA 58 HB2 ALA 58 5.756 3.490 9.353 389 HB3 ALA 58 HB3 ALA 58 4.515 2.289 9.571 390 H ILE 59 H ILE 59 4.350 0.126 8.022 391 HA ILE 59 HA ILE 59 4.750 -2.164 9.615 392 HB ILE 59 HB ILE 59 2.980 -1.432 7.307 393 HG12 ILE 59 HG12 ILE 59 2.161 -2.213 10.089 394 HG13 ILE 59 HG13 ILE 59 2.697 -0.590 9.757 395 HG21 ILE 59 HG21 ILE 59 1.723 -3.513 7.742 396 HG22 ILE 59 HG22 ILE 59 3.271 -3.704 6.936 397 HG23 ILE 59 HG23 ILE 59 3.046 -4.097 8.662 398 HD11 ILE 59 HD11 ILE 59 0.503 -0.512 9.003 399 HD12 ILE 59 HD12 ILE 59 0.708 -1.002 8.180 400 HD13 ILE 59 HD13 ILE 59 0.282 -1.452 8.962 401 H ILE 60 H ILE 60 5.276 -1.612 6.130 402 HA ILE 60 HA ILE 60 6.591 -3.912 5.514 403 HB ILE 60 HB ILE 60 6.838 -1.120 4.470 404 HG12 ILE 60 HG12 ILE 60 5.700 -3.682 3.331 405 HG13 ILE 60 HG13 ILE 60 4.737 -2.500 4.163 406 HG21 ILE 60 HG21 ILE 60 8.038 -1.982 2.524 407 HG22 ILE 60 HG22 ILE 60 9.003 -2.233 3.942 408 HG23 ILE 60 HG23 ILE 60 8.118 -3.545 3.246 409 HD11 ILE 60 HD11 ILE 60 4.429 -2.284 1.819 410 HD12 ILE 60 HD12 ILE 60 5.266 -0.862 2.355 411 HD13 ILE 60 HD13 ILE 60 6.138 -2.123 1.531 412 H LYS 61 H LYS 61 8.091 -1.041 6.843 413 HA LYS 61 HA LYS 61 10.736 -1.936 6.896 414 HB2 LYS 61 HB2 LYS 61 10.224 0.349 7.168 415 HB3 LYS 61 HB3 LYS 61 9.127 0.021 8.465 416 HG2 LYS 61 HG2 LYS 61 11.125 1.014 9.388 417 HG3 LYS 61 HG3 LYS 61 11.096 -0.661 9.844 418 HD2 LYS 61 HD2 LYS 61 13.329 -0.173 9.238 419 HD3 LYS 61 HD3 LYS 61 12.657 -1.087 7.953 420 HE2 LYS 61 HE2 LYS 61 12.267 0.855 6.609 421 HE3 LYS 61 HE3 LYS 61 12.771 1.820 7.937 422 HZ1 LYS 61 HZ1 LYS 61 14.541 1.556 6.453 423 HZ2 LYS 61 HZ2 LYS 61 14.917 0.892 7.785 424 HZ3 LYS 61 HZ3 LYS 61 14.472 0.017 6.603 425 H ALA 62 H ALA 62 8.146 -2.871 8.993 426 HA ALA 62 HA ALA 62 9.959 -4.535 10.584 427 HB1 ALA 62 HB1 ALA 62 8.028 -5.037 11.933 428 HB2 ALA 62 HB2 ALA 62 8.162 -3.292 11.715 429 HB3 ALA 62 HB3 ALA 62 6.972 -4.204 10.850 430 H GLY 63 H GLY 63 7.403 -4.927 8.200 431 HA2 GLY 63 HA2 GLY 63 7.222 -7.742 8.451 432 HA3 GLY 63 HA3 GLY 63 6.394 -6.713 7.330 433 H GLY 64 H GLY 64 9.287 -5.921 6.310 434 HA2 GLY 64 HA2 GLY 64 10.927 -6.691 4.944 435 HA3 GLY 64 HA3 GLY 64 10.720 -8.235 5.633 436 H PHE 65 H PHE 65 8.595 -6.330 3.600 437 HA PHE 65 HA PHE 65 7.469 -8.507 2.269 438 HB2 PHE 65 HB2 PHE 65 7.269 -5.589 1.921 439 HB3 PHE 65 HB3 PHE 65 6.408 -6.746 0.941 440 HD1 PHE 65 HD1 PHE 65 6.987 -5.664 4.470 441 HD2 PHE 65 HD2 PHE 65 4.233 -7.616 1.763 442 HE1 PHE 65 HE1 PHE 65 5.086 -5.241 6.003 443 HE2 PHE 65 HE2 PHE 65 2.507 -7.367 3.333 444 HZ PHE 65 HZ PHE 65 2.890 -6.215 5.474 445 H ALA 68 H ALA 68 7.372 -10.219 4.965 446 HA ALA 68 HA ALA 68 5.337 -10.195 4.178 447 HB1 ALA 68 HB1 ALA 68 4.773 -11.505 2.312 448 HB2 ALA 68 HB2 ALA 68 6.447 -10.989 2.178 449 HB3 ALA 68 HB3 ALA 68 6.058 -12.634 2.622 450 H LYS 69 H LYS 69 5.995 -12.208 6.538 451 HA LYS 69 HA LYS 69 3.593 -13.707 6.728 452 HB2 LYS 69 HB2 LYS 69 5.429 -12.684 8.882 453 HB3 LYS 69 HB3 LYS 69 4.121 -13.819 9.102 454 HG2 LYS 69 HG2 LYS 69 5.136 -15.488 7.825 455 HG3 LYS 69 HG3 LYS 69 6.273 -14.450 7.294 456 HD2 LYS 69 HD2 LYS 69 7.311 -14.194 9.239 457 HD3 LYS 69 HD3 LYS 69 6.114 -15.129 9.803 458 HE2 LYS 69 HE2 LYS 69 6.707 -17.062 8.547 459 HE3 LYS 69 HE3 LYS 69 7.865 -16.089 7.856 460 HZ1 LYS 69 HZ1 LYS 69 7.903 -16.795 10.363 461 HZ2 LYS 69 HZ2 LYS 69 8.903 -17.363 9.367 462 HZ3 LYS 69 HZ3 LYS 69 8.868 -15.913 9.779 463 H ALA 70 H ALA 70 4.483 -10.456 7.419 464 HA ALA 70 HA ALA 70 2.103 -9.533 8.579 465 HB1 ALA 70 HB1 ALA 70 4.284 -8.166 6.975 466 HB2 ALA 70 HB2 ALA 70 3.106 -7.328 7.964 467 HB3 ALA 70 HB3 ALA 70 4.254 -8.390 8.707 468 H ALA 71 H ALA 71 2.387 -10.651 5.468 469 HA ALA 71 HA ALA 71 0.965 -8.545 4.163 470 HB1 ALA 71 HB1 ALA 71 1.828 -11.176 2.981 471 HB2 ALA 71 HB2 ALA 71 1.517 -9.654 2.176 472 HB3 ALA 71 HB3 ALA 71 2.916 -9.828 3.224 473 H ALA 72 H ALA 72 -0.530 -10.490 6.083 474 HA ALA 72 HA ALA 72 -2.860 -9.943 4.433 475 HB1 ALA 72 HB1 ALA 72 -4.192 -11.297 5.891 476 HB2 ALA 72 HB2 ALA 72 -2.925 -12.218 5.249 477 HB3 ALA 72 HB3 ALA 72 -2.824 -11.669 6.896 478 H ALA 73 H ALA 73 -1.474 -9.578 7.651 479 HA ALA 73 HA ALA 73 -3.372 -7.866 8.697 480 HB1 ALA 73 HB1 ALA 73 -1.748 -7.433 10.401 481 HB2 ALA 73 HB2 ALA 73 -1.619 -9.103 9.922 482 HB3 ALA 73 HB3 ALA 73 -0.471 -7.969 9.379 483 H ALA 74 H ALA 74 -0.580 -6.966 6.741 484 HA ALA 74 HA ALA 74 -0.677 -4.175 7.278 485 HB1 ALA 74 HB1 ALA 74 1.302 -5.353 6.456 486 HB2 ALA 74 HB2 ALA 74 0.474 -5.648 4.940 487 HB3 ALA 74 HB3 ALA 74 0.869 -4.077 5.449 488 H ILE 75 H ILE 75 -1.939 -6.316 4.899 489 HA ILE 75 HA ILE 75 -3.010 -4.392 3.075 490 HB ILE 75 HB ILE 75 -3.969 -7.230 3.364 491 HG12 ILE 75 1HG1 ILE 75 -1.511 -7.312 3.282 492 HG13 ILE 75 2HG1 ILE 75 -2.305 -8.072 1.923 493 HG21 ILE 75 1HG2 ILE 75 -4.762 -6.103 1.497 494 HG22 ILE 75 2HG2 ILE 75 -4.461 -5.780 1.415 495 HG23 ILE 75 3HG2 ILE 75 -4.384 -6.170 1.180 496 HD11 ILE 75 1HD1 ILE 75 -0.706 -6.114 1.480 497 HD12 ILE 75 2HD1 ILE 75 -1.124 -6.512 0.896 498 HD13 ILE 75 3HD1 ILE 75 -1.344 -5.767 1.139 499 H LYS 76 H LYS 76 -4.372 -6.366 5.696 500 HA LYS 76 HA LYS 76 -7.066 -5.584 5.207 501 HB2 LYS 76 HB2 LYS 76 -5.552 -6.855 7.504 502 HB3 LYS 76 HB3 LYS 76 -7.244 -6.531 7.641 503 HG2 LYS 76 HG2 LYS 76 -7.683 -7.957 5.642 504 HG3 LYS 76 HG3 LYS 76 -5.992 -8.329 5.537 505 HD2 LYS 76 HD2 LYS 76 -5.952 -9.281 7.748 506 HD3 LYS 76 HD3 LYS 76 -7.611 -8.977 7.894 507 HE2 LYS 76 HE2 LYS 76 -8.138 -10.412 6.012 508 HE3 LYS 76 HE3 LYS 76 -6.486 -10.678 5.836 509 HZ1 LYS 76 HZ1 LYS 76 -7.427 -12.436 7.002 510 HZ2 LYS 76 HZ2 LYS 76 -6.495 -11.662 7.900 511 HZ3 LYS 76 HZ3 LYS 76 -7.913 -11.447 8.052 512 H ALA 77 H ALA 77 -4.571 -4.052 7.118 513 HA ALA 77 HA ALA 77 -6.279 -1.951 8.072 514 HB1 ALA 77 HB1 ALA 77 -4.165 -2.363 9.078 515 HB2 ALA 77 HB2 ALA 77 -3.338 -2.058 7.664 516 HB3 ALA 77 HB3 ALA 77 -4.148 -0.807 8.426 517 H ILE 78 H ILE 78 -4.047 -2.149 5.299 518 HA ILE 78 HA ILE 78 -4.712 0.505 4.538 519 HB ILE 78 HB ILE 78 -2.619 -0.890 4.140 520 HG12 ILE 78 HG12 ILE 78 -2.910 1.459 3.842 521 HG13 ILE 78 HG13 ILE 78 -1.739 0.735 2.814 522 HG21 ILE 78 HG21 ILE 78 -3.836 -1.215 1.415 523 HG22 ILE 78 HG22 ILE 78 -2.266 -1.743 1.926 524 HG23 ILE 78 HG23 ILE 78 -3.701 -2.483 2.572 525 HD11 ILE 78 HD11 ILE 78 -3.414 1.107 1.134 526 HD12 ILE 78 HD12 ILE 78 -3.912 1.775 1.964 527 HD13 ILE 78 HD13 ILE 78 -2.909 2.090 1.534 528 H ALA 79 H ALA 79 -5.844 -2.512 3.134 529 HA ALA 79 HA ALA 79 -7.530 -1.112 1.215 530 HB1 ALA 79 HB1 ALA 79 -6.479 -3.117 0.655 531 HB2 ALA 79 HB2 ALA 79 -7.281 -3.995 1.963 532 HB3 ALA 79 HB3 ALA 79 -8.223 -3.388 0.645 533 H ALA 80 H ALA 80 -7.837 -0.929 4.173 534 HA ALA 80 HA ALA 80 -10.809 -0.730 4.080 535 HB1 ALA 80 HB1 ALA 80 -10.312 -2.282 5.846 536 HB2 ALA 80 HB2 ALA 80 -9.266 -1.132 6.580 537 HB3 ALA 80 HB3 ALA 80 -10.934 -0.818 6.466 538 H ILE 81 H ILE 81 -7.784 0.690 5.191 539 HA ILE 81 HA ILE 81 -8.787 3.270 5.785 540 HB ILE 81 HB ILE 81 -6.015 2.402 4.940 541 HG12 ILE 81 1HG1 ILE 81 -6.854 3.193 7.712 542 HG13 ILE 81 2HG1 ILE 81 -7.178 1.575 7.196 543 HG21 ILE 81 1HG2 ILE 81 -6.956 4.984 6.171 544 HG22 ILE 81 2HG2 ILE 81 -5.288 4.530 6.015 545 HG23 ILE 81 3HG2 ILE 81 -6.266 4.767 4.601 546 HD11 ILE 81 1HD1 ILE 81 -4.805 1.578 7.264 547 HD12 ILE 81 2HD1 ILE 81 -4.656 2.261 7.392 548 HD13 ILE 81 3HD1 ILE 81 -4.905 1.840 7.909 549 H ILE 82 H ILE 82 -7.545 1.859 2.768 550 HA ILE 82 HA ILE 82 -7.781 3.779 1.010 551 HB ILE 82 HB ILE 82 -8.695 0.973 0.768 552 HG12 ILE 82 HG12 ILE 82 -6.249 2.047 1.132 553 HG13 ILE 82 HG13 ILE 82 -6.523 0.512 0.357 554 HG21 ILE 82 HG21 ILE 82 -8.435 2.966 -1.477 555 HG22 ILE 82 HG22 ILE 82 -8.408 1.239 -1.725 556 HG23 ILE 82 HG23 ILE 82 -9.837 1.961 -1.103 557 HD11 ILE 82 HD11 ILE 82 -4.841 1.879 -0.759 558 HD12 ILE 82 HD12 ILE 82 -6.134 1.400 -1.764 559 HD13 ILE 82 HD13 ILE 82 -6.064 3.034 -1.151 560 H LYS 83 H LYS 83 -10.484 1.771 2.033 561 HA LYS 83 HA LYS 83 -12.553 2.784 0.424 562 HB2 LYS 83 HB2 LYS 83 -12.327 1.210 3.008 563 HB3 LYS 83 HB3 LYS 83 -13.746 1.385 1.975 564 HG2 LYS 83 HG2 LYS 83 -12.309 0.428 0.090 565 HG3 LYS 83 HG3 LYS 83 -11.173 0.053 1.351 566 HD2 LYS 83 HD2 LYS 83 -12.828 -1.377 2.461 567 HD3 LYS 83 HD3 LYS 83 -14.018 -0.858 1.323 568 HE2 LYS 83 HE2 LYS 83 -12.848 -1.845 -0.504 569 HE3 LYS 83 HE3 LYS 83 -11.631 -2.268 0.567 570 HZ1 LYS 83 HZ1 LYS 83 -14.023 -3.290 0.741 571 HZ2 LYS 83 HZ2 LYS 83 -12.901 -4.024 0.098 572 HZ3 LYS 83 HZ3 LYS 83 -12.885 -3.712 1.516 573 H ALA 84 H ALA 84 -11.517 3.440 3.559 574 HA ALA 84 HA ALA 84 -13.483 5.464 4.313 575 HB1 ALA 84 HB1 ALA 84 -12.157 5.725 6.264 576 HB2 ALA 84 HB2 ALA 84 -12.338 4.086 5.981 577 HB3 ALA 84 HB3 ALA 84 -10.901 4.788 5.587 578 H GLY 85 H GLY 85 -10.173 5.569 3.018 579 HA2 GLY 85 HA2 GLY 85 -9.911 8.306 3.219 580 HA3 GLY 85 HA3 GLY 85 -8.912 7.181 2.337 581 H GLY 86 H GLY 86 -11.012 6.289 0.662 582 HA2 GLY 86 HA2 GLY 86 -12.700 6.959 -0.789 583 HA3 GLY 86 HA3 GLY 86 -12.222 8.567 -0.620 584 H PHE 87 H PHE 87 -9.577 6.667 -1.083 585 HA PHE 87 HA PHE 87 -8.818 7.815 -3.504 586 HB2 PHE 87 HB2 PHE 87 -7.777 5.185 -2.750 587 HB3 PHE 87 HB3 PHE 87 -6.976 6.535 -3.523 588 HD1 PHE 87 HD2 PHE 87 -5.977 8.379 -2.088 589 HD2 PHE 87 HD1 PHE 87 -8.044 5.062 -0.472 590 HE1 PHE 87 HE2 PHE 87 -4.748 8.648 -0.065 591 HE2 PHE 87 HE1 PHE 87 -6.739 5.255 1.675 592 HZ PHE 87 HZ PHE 87 -4.983 6.965 1.826 593 H1 ACE 1 H1 ACE 1 3.650 16.126 -1.369 594 H2 ACE 1 H2 ACE 1 3.750 16.070 -1.780 595 H3 ACE 1 H3 ACE 1 3.638 16.461 -1.661 596 HN1 NH2 22 HN1 NH2 22 -7.107 -9.136 2.437 597 HN2 NH2 22 HN2 NH2 22 -5.487 -9.616 2.093 598 H1 ACE 23 H1 ACE 23 -3.955 -14.088 -2.058 599 H2 ACE 23 H2 ACE 23 -3.844 -14.340 -1.778 600 H3 ACE 23 H3 ACE 23 -4.058 -14.054 -1.653 601 HN1 NH2 44 HN1 NH2 44 7.188 9.709 4.102 602 HN2 NH2 44 HN2 NH2 44 7.458 9.291 2.483 603 H1 ACE 45 H1 ACE 45 -9.122 13.719 -2.170 604 H2 ACE 45 H2 ACE 45 -9.181 13.366 -1.448 605 H3 ACE 45 H3 ACE 45 -9.305 14.173 -1.489 606 HN1 NH2 66 HN1 NH2 66 10.007 -6.736 -0.390 607 HN2 NH2 66 HN2 NH2 66 9.624 -5.875 1.068 608 H1 ACE 67 H1 ACE 67 9.144 -11.941 6.305 609 H2 ACE 67 H2 ACE 67 9.424 -11.745 5.902 610 H3 ACE 67 H3 ACE 67 9.188 -11.433 6.191 611 HN1 NH2 88 HN1 NH2 88 -10.322 4.218 -4.645 612 HN2 NH2 88 HN2 NH2 88 -9.769 4.412 -3.007 Start of MODEL 10 1 H1 ALA 2 H1 ALA 2 2.233 14.000 -0.513 2 HA ALA 2 HA ALA 2 1.088 11.713 -1.776 3 HB1 ALA 2 HB1 ALA 2 -0.144 14.091 -0.584 4 HB2 ALA 2 HB2 ALA 2 -1.005 12.746 -1.070 5 HB3 ALA 2 HB3 ALA 2 0.109 12.655 0.213 6 H LYS 3 H LYS 3 2.168 14.494 -3.107 7 HA LYS 3 HA LYS 3 0.635 14.849 -5.463 8 HB2 LYS 3 HB2 LYS 3 3.627 14.829 -5.022 9 HB3 LYS 3 HB3 LYS 3 2.826 15.267 -6.513 10 HG2 LYS 3 HG2 LYS 3 1.642 17.093 -5.369 11 HG3 LYS 3 HG3 LYS 3 2.483 16.706 -3.923 12 HD2 LYS 3 HD2 LYS 3 4.635 17.151 -4.940 13 HD3 LYS 3 HD3 LYS 3 3.815 17.468 -6.405 14 HE2 LYS 3 HE2 LYS 3 2.630 19.356 -5.428 15 HE3 LYS 3 HE3 LYS 3 3.375 18.959 -3.930 16 HZ1 LYS 3 HZ1 LYS 3 5.449 19.454 -4.914 17 HZ2 LYS 3 HZ2 LYS 3 4.804 19.775 -6.260 18 HZ3 LYS 3 HZ3 LYS 3 4.494 20.691 -5.038 19 H ALA 4 H ALA 4 2.718 12.251 -4.510 20 HA ALA 4 HA ALA 4 2.684 10.846 -7.021 21 HB1 ALA 4 HB1 ALA 4 4.602 10.897 -5.580 22 HB2 ALA 4 HB2 ALA 4 3.684 10.180 -4.272 23 HB3 ALA 4 HB3 ALA 4 4.055 9.272 -5.724 24 H ALA 5 H ALA 5 0.279 11.108 -4.692 25 HA ALA 5 HA ALA 5 0.087 8.487 -3.784 26 HB1 ALA 5 HB1 ALA 5 -1.938 9.178 -2.741 27 HB2 ALA 5 HB2 ALA 5 -0.820 10.451 -2.570 28 HB3 ALA 5 HB3 ALA 5 -2.082 10.554 -3.788 29 H ALA 6 H ALA 6 -1.894 9.949 -6.339 30 HA ALA 6 HA ALA 6 -3.470 7.742 -6.821 31 HB1 ALA 6 HB1 ALA 6 -2.483 9.642 -8.891 32 HB2 ALA 6 HB2 ALA 6 -3.876 8.669 -9.000 33 HB3 ALA 6 HB3 ALA 6 -3.789 9.964 -7.832 34 H ALA 7 H ALA 7 -0.245 8.255 -8.062 35 HA ALA 7 HA ALA 7 -0.044 5.936 -9.676 36 HB1 ALA 7 HB1 ALA 7 1.500 7.930 -9.563 37 HB2 ALA 7 HB2 ALA 7 2.150 7.306 -8.179 38 HB3 ALA 7 HB3 ALA 7 2.263 6.404 -9.603 39 H ALA 8 H ALA 8 0.395 6.291 -6.144 40 HA ALA 8 HA ALA 8 1.556 3.666 -5.896 41 HB1 ALA 8 HB1 ALA 8 1.393 4.261 -3.458 42 HB2 ALA 8 HB2 ALA 8 2.184 5.509 -4.384 43 HB3 ALA 8 HB3 ALA 8 0.518 5.722 -3.885 44 H ILE 9 H ILE 9 -1.498 5.254 -5.272 45 HA ILE 9 HA ILE 9 -2.730 3.015 -4.062 46 HB ILE 9 HB ILE 9 -4.236 5.152 -5.506 47 HG12 ILE 9 1HG1 ILE 9 -2.785 6.332 -3.994 48 HG13 ILE 9 2HG1 ILE 9 -4.421 6.390 -3.471 49 HG21 ILE 9 1HG2 ILE 9 -5.693 3.891 -4.208 50 HG22 ILE 9 2HG2 ILE 9 -5.346 3.462 -4.113 51 HG23 ILE 9 3HG2 ILE 9 -5.471 3.803 -3.688 52 HD11 ILE 9 1HD1 ILE 9 -3.726 4.942 -1.686 53 HD12 ILE 9 2HD1 ILE 9 -2.485 4.672 -2.188 54 HD13 ILE 9 3HD1 ILE 9 -2.756 5.921 -1.746 55 H LYS 10 H LYS 10 -2.773 4.260 -7.366 56 HA LYS 10 HA LYS 10 -4.837 2.465 -8.222 57 HB2 LYS 10 1HB LYS 10 -3.047 4.367 -9.716 58 HB3 LYS 10 2HB LYS 10 -4.161 3.341 -10.557 59 HG2 LYS 10 1HG LYS 10 -5.932 4.314 -8.888 60 HG3 LYS 10 2HG LYS 10 -4.797 5.568 -8.595 61 HD2 LYS 10 1HD LYS 10 -5.919 4.825 -11.312 62 HD3 LYS 10 2HD LYS 10 -6.372 6.185 -10.309 63 HE2 LYS 10 1HE LYS 10 -4.089 7.081 -10.421 64 HE3 LYS 10 2HE LYS 10 -3.673 5.770 -11.460 65 HZ1 LYS 10 1HZ LYS 10 -5.146 7.399 -12.519 66 HZ2 LYS 10 2HZ LYS 10 -4.748 7.327 -12.669 67 HZ3 LYS 10 3HZ LYS 10 -5.058 7.076 -12.707 68 H ALA 11 H ALA 11 -1.352 2.270 -8.248 69 HA ALA 11 HA ALA 11 -1.228 -0.323 -9.521 70 HB1 ALA 11 HB1 ALA 11 0.732 0.913 -9.228 71 HB2 ALA 11 HB2 ALA 11 0.492 1.065 -7.513 72 HB3 ALA 11 HB3 ALA 11 0.848 -0.508 -8.258 73 H ILE 12 H ILE 12 -1.381 0.445 -6.040 74 HA ILE 12 HA ILE 12 -1.452 -2.304 -5.468 75 HB ILE 12 HB ILE 12 -0.446 -0.429 -4.093 76 HG12 ILE 12 1HG1 ILE 12 -2.091 -2.634 -3.047 77 HG13 ILE 12 2HG1 ILE 12 -0.524 -2.631 -3.485 78 HG21 ILE 12 1HG2 ILE 12 -2.904 0.132 -3.223 79 HG22 ILE 12 2HG2 ILE 12 -2.319 0.265 -2.572 80 HG23 ILE 12 3HG2 ILE 12 -2.264 0.762 -3.322 81 HD11 ILE 12 1HD1 ILE 12 0.110 -1.607 -1.686 82 HD12 ILE 12 2HD1 ILE 12 -1.309 -1.597 -1.208 83 HD13 ILE 12 3HD1 ILE 12 -0.554 -2.999 -1.243 84 H ALA 13 H ALA 13 -4.132 0.051 -5.339 85 HA ALA 13 HA ALA 13 -5.981 -1.995 -4.470 86 HB1 ALA 13 HB1 ALA 13 -7.591 -0.215 -4.606 87 HB2 ALA 13 HB2 ALA 13 -6.145 0.279 -3.787 88 HB3 ALA 13 HB3 ALA 13 -6.449 0.796 -5.444 89 H ALA 14 H ALA 14 -4.579 -2.013 -7.186 90 HA ALA 14 HA ALA 14 -6.847 -3.281 -8.620 91 HB1 ALA 14 HB1 ALA 14 -5.893 -1.561 -9.998 92 HB2 ALA 14 HB2 ALA 14 -4.298 -2.193 -9.793 93 HB3 ALA 14 HB3 ALA 14 -5.504 -3.093 -10.663 94 H ILE 15 H ILE 15 -3.493 -3.528 -7.674 95 HA ILE 15 HA ILE 15 -3.075 -6.241 -8.257 96 HB ILE 15 HB ILE 15 -1.641 -4.447 -6.302 97 HG12 ILE 15 HG12 ILE 15 -0.659 -5.302 -8.984 98 HG13 ILE 15 HG13 ILE 15 -1.653 -3.879 -8.906 99 HG21 ILE 15 HG21 ILE 15 0.215 -6.087 -6.728 100 HG22 ILE 15 HG22 ILE 15 -1.076 -6.666 -5.727 101 HG23 ILE 15 HG23 ILE 15 -0.968 -7.159 -7.417 102 HD11 ILE 15 HD11 ILE 15 1.039 -4.224 -7.733 103 HD12 ILE 15 HD12 ILE 15 0.456 -3.025 -8.835 104 HD13 ILE 15 HD13 ILE 15 -0.002 -2.952 -7.170 105 H ILE 16 H ILE 16 -4.096 -4.680 -5.280 106 HA ILE 16 HA ILE 16 -4.495 -6.583 -3.379 107 HB ILE 16 HB ILE 16 -6.364 -4.454 -4.305 108 HG12 ILE 16 HG12 ILE 16 -3.918 -4.060 -3.400 109 HG13 ILE 16 HG13 ILE 16 -5.194 -3.023 -2.891 110 HG21 ILE 16 HG21 ILE 16 -6.396 -6.138 -1.822 111 HG22 ILE 16 HG22 ILE 16 -7.234 -4.604 -1.938 112 HG23 ILE 16 HG23 ILE 16 -7.688 -5.908 -2.944 113 HD11 ILE 16 HD11 ILE 16 -5.282 -3.936 -0.761 114 HD12 ILE 16 HD12 ILE 16 -4.214 -5.278 -1.233 115 HD13 ILE 16 HD13 ILE 16 -3.652 -3.616 -1.156 116 H LYS 17 H LYS 17 -6.837 -5.783 -5.867 117 HA LYS 17 HA LYS 17 -8.774 -7.698 -5.344 118 HB2 LYS 17 HB2 LYS 17 -7.979 -5.912 -7.685 119 HB3 LYS 17 HB3 LYS 17 -9.517 -6.757 -7.442 120 HG2 LYS 17 HG2 LYS 17 -9.716 -5.432 -5.241 121 HG3 LYS 17 HG3 LYS 17 -8.330 -4.544 -5.843 122 HD2 LYS 17 HD2 LYS 17 -9.596 -3.820 -7.808 123 HD3 LYS 17 HD3 LYS 17 -10.916 -4.836 -7.345 124 HE2 LYS 17 HE2 LYS 17 -11.162 -3.529 -5.246 125 HE3 LYS 17 HE3 LYS 17 -9.997 -2.449 -5.903 126 HZ1 LYS 17 HZ1 LYS 17 -12.472 -2.642 -7.007 127 HZ2 LYS 17 HZ2 LYS 17 -11.652 -2.342 -7.534 128 HZ3 LYS 17 HZ3 LYS 17 -11.957 -1.832 -6.734 129 H ALA 18 H ALA 18 -6.245 -7.561 -7.605 130 HA ALA 18 HA ALA 18 -6.804 -9.981 -9.096 131 HB1 ALA 18 HB1 ALA 18 -5.589 -8.068 -10.065 132 HB2 ALA 18 HB2 ALA 18 -4.332 -8.287 -8.910 133 HB3 ALA 18 HB3 ALA 18 -4.638 -9.545 -10.074 134 H GLY 19 H GLY 19 -4.749 -9.169 -6.324 135 HA2 GLY 19 HA2 GLY 19 -3.500 -11.648 -6.157 136 HA3 GLY 19 HA3 GLY 19 -3.600 -10.424 -4.925 137 H GLY 20 H GLY 20 -6.016 -10.240 -4.164 138 HA2 GLY 20 HA2 GLY 20 -7.940 -11.630 -3.477 139 HA3 GLY 20 HA3 GLY 20 -6.883 -12.906 -3.199 140 H PHE 21 H PHE 21 -5.439 -10.022 -2.188 141 HA PHE 21 HA PHE 21 -5.881 -10.793 0.545 142 HB2 PHE 21 HB2 PHE 21 -3.888 -9.671 1.025 143 HB3 PHE 21 HB3 PHE 21 -3.826 -11.038 -0.013 144 HD1 PHE 21 HD1 PHE 21 -4.531 -8.589 -2.330 145 HD2 PHE 21 HD2 PHE 21 -1.445 -9.794 0.367 146 HE1 PHE 21 HE1 PHE 21 -2.803 -7.531 -3.777 147 HE2 PHE 21 HE2 PHE 21 0.191 -8.704 -0.988 148 HZ PHE 21 HZ PHE 21 -0.512 -7.649 -3.197 149 H ALA 24 H ALA 24 -1.968 -14.227 -0.331 150 HA ALA 24 HA ALA 24 -0.314 -12.023 -1.009 151 HB1 ALA 24 HB1 ALA 24 1.263 -13.015 0.528 152 HB2 ALA 24 HB2 ALA 24 -0.328 -13.026 1.212 153 HB3 ALA 24 HB3 ALA 24 0.345 -14.507 0.545 154 H LYS 25 H LYS 25 -0.894 -14.626 -2.897 155 HA LYS 25 HA LYS 25 1.490 -14.989 -4.302 156 HB2 LYS 25 HB2 LYS 25 -1.285 -14.545 -5.378 157 HB3 LYS 25 HB3 LYS 25 0.085 -15.165 -6.266 158 HG2 LYS 25 HG2 LYS 25 -1.165 -16.530 -3.876 159 HG3 LYS 25 HG3 LYS 25 -1.494 -16.897 -5.573 160 HD2 LYS 25 HD2 LYS 25 0.859 -17.473 -5.940 161 HD3 LYS 25 HD3 LYS 25 1.118 -17.345 -4.226 162 HE2 LYS 25 HE2 LYS 25 -0.642 -18.981 -3.757 163 HE3 LYS 25 HE3 LYS 25 -0.831 -19.191 -5.471 164 HZ1 LYS 25 HZ1 LYS 25 1.480 -19.823 -5.154 165 HZ2 LYS 25 HZ2 LYS 25 1.261 -20.087 -4.239 166 HZ3 LYS 25 HZ3 LYS 25 0.762 -20.528 -5.010 167 H ALA 26 H ALA 26 -0.496 -12.189 -4.127 168 HA ALA 26 HA ALA 26 0.940 -10.695 -6.172 169 HB1 ALA 26 HB1 ALA 26 -1.428 -10.528 -5.989 170 HB2 ALA 26 HB2 ALA 26 -1.315 -10.084 -4.283 171 HB3 ALA 26 HB3 ALA 26 -0.761 -8.986 -5.544 172 H ALA 27 H ALA 27 1.828 -11.367 -3.126 173 HA ALA 27 HA ALA 27 2.261 -8.684 -2.111 174 HB1 ALA 27 HB1 ALA 27 1.455 -10.535 -0.743 175 HB2 ALA 27 HB2 ALA 27 3.042 -11.239 -0.814 176 HB3 ALA 27 HB3 ALA 27 2.793 -9.645 -0.125 177 H ALA 28 H ALA 28 4.207 -10.315 -4.257 178 HA ALA 28 HA ALA 28 6.483 -8.596 -3.406 179 HB1 ALA 28 1HB ALA 28 6.631 -10.400 -5.246 180 HB2 ALA 28 2HB ALA 28 6.919 -9.811 -5.533 181 HB3 ALA 28 3HB ALA 28 7.232 -10.088 -4.944 182 H ALA 29 H ALA 29 4.123 -8.950 -6.025 183 HA ALA 29 HA ALA 29 4.774 -6.689 -7.472 184 HB1 ALA 29 HB1 ALA 29 2.130 -8.100 -7.242 185 HB2 ALA 29 HB2 ALA 29 2.628 -6.967 -8.515 186 HB3 ALA 29 HB3 ALA 29 3.404 -8.497 -8.320 187 H ALA 30 H ALA 30 2.379 -6.861 -4.818 188 HA ALA 30 HA ALA 30 1.412 -4.227 -5.265 189 HB1 ALA 30 HB1 ALA 30 1.287 -6.047 -2.851 190 HB2 ALA 30 HB2 ALA 30 0.576 -4.533 -2.913 191 HB3 ALA 30 HB3 ALA 30 0.019 -5.708 -3.980 192 H ILE 31 H ILE 31 3.978 -5.542 -3.394 193 HA ILE 31 HA ILE 31 4.447 -3.195 -1.778 194 HB ILE 31 HB ILE 31 6.131 -5.628 -2.089 195 HG12 ILE 31 1HG1 ILE 31 3.888 -6.419 -1.523 196 HG13 ILE 31 2HG1 ILE 31 5.003 -6.648 -0.183 197 HG21 ILE 31 1HG2 ILE 31 6.373 -4.288 0.093 198 HG22 ILE 31 2HG2 ILE 31 6.920 -4.462 -0.291 199 HG23 ILE 31 3HG2 ILE 31 6.634 -3.845 -0.395 200 HD11 ILE 31 1HD1 ILE 31 3.987 -4.849 1.061 201 HD12 ILE 31 2HD1 ILE 31 3.034 -4.396 -0.309 202 HD13 ILE 31 3HD1 ILE 31 2.763 -5.917 0.462 203 H LYS 32 H LYS 32 5.946 -4.884 -4.482 204 HA LYS 32 HA LYS 32 8.225 -3.073 -4.623 205 HB2 LYS 32 1HB LYS 32 7.216 -5.337 -6.404 206 HB3 LYS 32 2HB LYS 32 8.684 -4.416 -6.705 207 HG2 LYS 32 1HG LYS 32 9.548 -5.108 -4.461 208 HG3 LYS 32 2HG LYS 32 8.157 -6.161 -4.310 209 HD2 LYS 32 1HD LYS 32 8.773 -7.369 -6.340 210 HD3 LYS 32 2HD LYS 32 10.132 -6.314 -6.537 211 HE2 LYS 32 1HE LYS 32 10.368 -7.192 -3.993 212 HE3 LYS 32 2HE LYS 32 10.194 -8.272 -4.837 213 HZ1 LYS 32 1HZ LYS 32 11.128 -8.605 -5.082 214 HZ2 LYS 32 2HZ LYS 32 11.822 -7.584 -5.749 215 HZ3 LYS 32 3HZ LYS 32 11.421 -7.944 -4.551 216 H ALA 33 H ALA 33 5.125 -3.126 -6.054 217 HA ALA 33 HA ALA 33 5.594 -0.673 -7.531 218 HB1 ALA 33 HB1 ALA 33 3.085 -1.784 -6.295 219 HB2 ALA 33 HB2 ALA 33 3.194 -0.369 -7.226 220 HB3 ALA 33 HB3 ALA 33 3.564 -1.826 -7.945 221 H ILE 34 H ILE 34 4.060 -1.138 -4.274 222 HA ILE 34 HA ILE 34 4.019 1.630 -4.186 223 HB ILE 34 HB ILE 34 2.388 -0.208 -3.285 224 HG12 ILE 34 HG12 ILE 34 3.011 2.487 -2.177 225 HG13 ILE 34 HG13 ILE 34 1.875 2.015 -3.417 226 HG21 ILE 34 HG21 ILE 34 3.928 0.370 -0.735 227 HG22 ILE 34 HG22 ILE 34 2.570 -0.721 -0.942 228 HG23 ILE 34 HG23 ILE 34 4.079 -1.092 -1.629 229 HD11 ILE 34 HD11 ILE 34 1.570 1.632 -0.462 230 HD12 ILE 34 HD12 ILE 34 0.644 2.659 -1.487 231 HD13 ILE 34 HD13 ILE 34 0.519 0.944 -1.677 232 H ALA 35 H ALA 35 6.266 -0.485 -2.522 233 HA ALA 35 HA ALA 35 7.239 1.687 -0.855 234 HB1 ALA 35 HB1 ALA 35 7.537 -0.683 -0.300 235 HB2 ALA 35 HB2 ALA 35 8.650 -0.882 -1.591 236 HB3 ALA 35 HB3 ALA 35 9.032 0.145 -0.276 237 H ALA 36 H ALA 36 7.942 0.700 -3.991 238 HA ALA 36 HA ALA 36 10.381 2.313 -4.350 239 HB1 ALA 36 HB1 ALA 36 8.719 0.955 -6.456 240 HB2 ALA 36 HB2 ALA 36 10.348 1.541 -6.584 241 HB3 ALA 36 HB3 ALA 36 9.984 0.145 -5.598 242 H ILE 37 H ILE 37 7.022 2.503 -5.195 243 HA ILE 37 HA ILE 37 7.082 5.000 -6.583 244 HB ILE 37 HB ILE 37 4.865 3.519 -5.275 245 HG12 ILE 37 HG12 ILE 37 5.409 3.926 -8.211 246 HG13 ILE 37 HG13 ILE 37 6.076 2.569 -7.346 247 HG21 ILE 37 HG21 ILE 37 3.379 4.987 -6.539 248 HG22 ILE 37 HG22 ILE 37 4.248 5.846 -5.329 249 HG23 ILE 37 HG23 ILE 37 4.728 5.991 -7.017 250 HD11 ILE 37 HD11 ILE 37 3.184 3.128 -7.920 251 HD12 ILE 37 HD12 ILE 37 4.152 1.762 -8.353 252 HD13 ILE 37 HD13 ILE 37 3.675 1.951 -6.684 253 H ILE 38 H ILE 38 6.376 4.135 -3.180 254 HA ILE 38 HA ILE 38 6.308 6.705 -2.158 255 HB ILE 38 HB ILE 38 7.171 4.069 -0.985 256 HG12 ILE 38 HG12 ILE 38 4.822 5.979 -0.712 257 HG13 ILE 38 HG13 ILE 38 4.801 4.522 -1.623 258 HG21 ILE 38 HG21 ILE 38 7.146 5.106 1.259 259 HG22 ILE 38 HG22 ILE 38 8.353 5.853 0.336 260 HG23 ILE 38 HG23 ILE 38 6.811 6.635 0.542 261 HD11 ILE 38 HD11 ILE 38 3.685 4.021 0.437 262 HD12 ILE 38 HD12 ILE 38 5.305 3.354 0.643 263 HD13 ILE 38 HD13 ILE 38 4.864 4.915 1.342 264 H LYS 39 H LYS 39 9.201 4.815 -2.631 265 HA LYS 39 HA LYS 39 11.041 6.755 -1.689 266 HB2 LYS 39 1HB LYS 39 11.563 4.469 -1.898 267 HB3 LYS 39 2HB LYS 39 11.079 4.426 -3.571 268 HG2 LYS 39 1HG LYS 39 13.394 4.237 -3.517 269 HG3 LYS 39 2HG LYS 39 12.963 5.747 -4.192 270 HD2 LYS 39 1HD LYS 39 13.300 6.166 -1.435 271 HD3 LYS 39 2HD LYS 39 14.596 5.293 -1.928 272 HE2 LYS 39 1HE LYS 39 15.069 6.567 -3.681 273 HE3 LYS 39 2HE LYS 39 13.817 7.417 -3.103 274 HZ1 LYS 39 1HZ LYS 39 15.996 7.616 -2.183 275 HZ2 LYS 39 2HZ LYS 39 15.551 8.138 -1.649 276 HZ3 LYS 39 3HZ LYS 39 15.633 7.324 -1.497 277 H ALA 40 H ALA 40 9.261 6.652 -4.718 278 HA ALA 40 HA ALA 40 10.885 8.739 -5.859 279 HB1 ALA 40 HB1 ALA 40 9.312 8.594 -7.721 280 HB2 ALA 40 HB2 ALA 40 9.988 7.038 -7.302 281 HB3 ALA 40 HB3 ALA 40 8.350 7.464 -6.867 282 H GLY 41 H GLY 41 7.516 8.401 -4.703 283 HA2 GLY 41 HA2 GLY 41 6.758 11.025 -4.953 284 HA3 GLY 41 HA3 GLY 41 6.061 9.868 -3.820 285 H GLY 42 H GLY 42 8.237 9.609 -2.107 286 HA2 GLY 42 HA2 GLY 42 9.258 10.546 -0.300 287 HA3 GLY 42 HA3 GLY 42 8.953 12.153 -0.971 288 H PHE 43 H PHE 43 6.666 9.641 -0.225 289 HA PHE 43 HA PHE 43 4.646 11.221 0.771 290 HB2 PHE 43 HB2 PHE 43 5.178 8.330 1.184 291 HB3 PHE 43 HB3 PHE 43 3.754 9.138 1.707 292 HD1 PHE 43 HD1 PHE 43 5.731 8.349 -1.275 293 HD2 PHE 43 HD2 PHE 43 1.947 9.681 0.130 294 HE1 PHE 43 HE1 PHE 43 4.656 7.300 -3.280 295 HE2 PHE 43 HE2 PHE 43 0.908 8.786 -1.894 296 HZ PHE 43 HZ PHE 43 2.211 7.569 -3.559 297 H ALA 46 H ALA 46 -8.027 12.357 -0.941 298 HA ALA 46 HA ALA 46 -5.639 13.548 -0.993 299 HB1 ALA 46 HB1 ALA 46 -8.233 14.611 0.059 300 HB2 ALA 46 HB2 ALA 46 -6.953 15.580 -0.554 301 HB3 ALA 46 HB3 ALA 46 -7.817 14.504 -1.610 302 H LYS 47 H LYS 47 -7.528 13.086 1.929 303 HA LYS 47 HA LYS 47 -5.344 14.039 3.593 304 HB2 LYS 47 1HB LYS 47 -8.224 13.688 4.365 305 HB3 LYS 47 2HB LYS 47 -6.981 14.545 5.221 306 HG2 LYS 47 1HG LYS 47 -6.897 16.167 3.253 307 HG3 LYS 47 2HG LYS 47 -8.309 15.354 2.653 308 HD2 LYS 47 1HD LYS 47 -9.600 15.836 4.556 309 HD3 LYS 47 2HD LYS 47 -8.229 16.580 5.247 310 HE2 LYS 47 1HE LYS 47 -8.139 18.077 3.276 311 HE3 LYS 47 2HE LYS 47 -9.560 17.564 2.997 312 HZ1 LYS 47 1HZ LYS 47 -9.734 19.314 4.066 313 HZ2 LYS 47 2HZ LYS 47 -10.173 18.493 4.413 314 HZ3 LYS 47 3HZ LYS 47 -9.330 18.467 4.695 315 H ALA 48 H ALA 48 -7.026 11.252 2.759 316 HA ALA 48 HA ALA 48 -6.474 9.686 5.147 317 HB1 ALA 48 HB1 ALA 48 -7.355 8.532 2.880 318 HB2 ALA 48 HB2 ALA 48 -7.965 9.278 3.104 319 HB3 ALA 48 HB3 ALA 48 -7.824 8.509 3.802 320 H ALA 49 H ALA 49 -4.591 10.700 2.579 321 HA ALA 49 HA ALA 49 -3.361 8.485 1.639 322 HB1 ALA 49 HB1 ALA 49 -3.178 10.526 0.536 323 HB2 ALA 49 HB2 ALA 49 -2.362 11.308 1.817 324 HB3 ALA 49 HB3 ALA 49 -1.577 10.025 0.943 325 H ALA 50 H ALA 50 -1.849 10.433 4.158 326 HA ALA 50 HA ALA 50 0.325 8.781 4.490 327 HB1 ALA 50 HB1 ALA 50 0.348 10.898 5.455 328 HB2 ALA 50 HB2 ALA 50 0.551 10.103 6.541 329 HB3 ALA 50 HB3 ALA 50 -0.640 10.722 6.363 330 H ALA 51 H ALA 51 -2.785 8.563 5.910 331 HA ALA 51 HA ALA 51 -2.115 6.610 7.958 332 HB1 ALA 51 HB1 ALA 51 -4.092 8.169 8.175 333 HB2 ALA 51 HB2 ALA 51 -4.855 7.314 6.863 334 HB3 ALA 51 HB3 ALA 51 -4.522 6.504 8.358 335 H ALA 52 H ALA 52 -3.156 6.443 4.607 336 HA ALA 52 HA ALA 52 -3.172 3.532 4.625 337 HB1 ALA 52 HB1 ALA 52 -3.263 5.606 2.481 338 HB2 ALA 52 HB2 ALA 52 -3.123 3.967 2.157 339 HB3 ALA 52 HB3 ALA 52 -4.456 4.544 2.979 340 H ILE 53 H ILE 53 -1.012 5.715 2.738 341 HA ILE 53 HA ILE 53 0.521 3.385 2.287 342 HB ILE 53 HB ILE 53 1.546 4.401 0.620 343 HG12 ILE 53 HG12 ILE 53 2.649 6.223 1.656 344 HG13 ILE 53 HG13 ILE 53 1.821 6.693 0.171 345 HG21 ILE 53 HG21 ILE 53 -0.058 5.508 -0.663 346 HG22 ILE 53 HG22 ILE 53 -0.842 4.228 0.259 347 HG23 ILE 53 HG23 ILE 53 -1.016 5.931 0.753 348 HD11 ILE 53 HD11 ILE 53 0.055 7.827 1.438 349 HD12 ILE 53 HD12 ILE 53 0.652 7.116 2.876 350 HD13 ILE 53 HD13 ILE 53 1.627 8.330 2.073 351 H LYS 54 H LYS 54 0.888 5.850 4.562 352 HA LYS 54 HA LYS 54 3.804 5.600 4.670 353 HB2 LYS 54 HB2 LYS 54 1.942 7.713 5.087 354 HB3 LYS 54 HB3 LYS 54 2.785 7.449 6.582 355 HG2 LYS 54 HG2 LYS 54 4.101 7.913 3.938 356 HG3 LYS 54 HG3 LYS 54 3.867 9.092 5.186 357 HD2 LYS 54 HD2 LYS 54 5.639 6.671 5.354 358 HD3 LYS 54 HD3 LYS 54 6.143 8.307 5.145 359 HE2 LYS 54 HE2 LYS 54 5.139 8.908 7.273 360 HE3 LYS 54 HE3 LYS 54 4.773 7.262 7.442 361 HZ1 LYS 54 HZ1 LYS 54 7.302 8.139 7.575 362 HZ2 LYS 54 HZ2 LYS 54 6.736 7.518 8.275 363 HZ3 LYS 54 HZ3 LYS 54 7.094 7.081 7.293 364 H ALA 55 H ALA 55 0.960 5.003 6.563 365 HA ALA 55 HA ALA 55 2.179 3.719 8.805 366 HB1 ALA 55 HB1 ALA 55 -0.231 4.302 8.749 367 HB2 ALA 55 HB2 ALA 55 -0.497 3.239 7.410 368 HB3 ALA 55 HB3 ALA 55 -0.042 2.567 8.937 369 H ILE 56 H ILE 56 1.088 2.570 5.553 370 HA ILE 56 HA ILE 56 2.096 -0.045 5.958 371 HB ILE 56 HB ILE 56 0.953 1.509 3.737 372 HG12 ILE 56 HG12 ILE 56 -0.277 -0.538 3.438 373 HG13 ILE 56 HG13 ILE 56 0.642 -1.298 4.677 374 HG21 ILE 56 HG21 ILE 56 2.654 -0.861 3.109 375 HG22 ILE 56 HG22 ILE 56 1.508 -0.141 2.008 376 HG23 ILE 56 HG23 ILE 56 2.881 0.745 2.501 377 HD11 ILE 56 HD11 ILE 56 -1.152 0.997 5.107 378 HD12 ILE 56 HD12 ILE 56 -1.484 -0.627 5.560 379 HD13 ILE 56 HD13 ILE 56 -0.251 0.268 6.324 380 H ALA 57 H ALA 57 3.813 2.758 4.643 381 HA ALA 57 HA ALA 57 6.088 1.195 3.993 382 HB1 ALA 57 HB1 ALA 57 7.286 3.328 4.011 383 HB2 ALA 57 HB2 ALA 57 5.735 3.446 3.216 384 HB3 ALA 57 HB3 ALA 57 5.939 4.059 4.829 385 H ALA 58 H ALA 58 5.028 2.370 7.000 386 HA ALA 58 HA ALA 58 7.469 1.788 8.473 387 HB1 ALA 58 HB1 ALA 58 6.071 3.474 9.396 388 HB2 ALA 58 HB2 ALA 58 4.969 2.794 9.360 389 HB3 ALA 58 HB3 ALA 58 5.891 2.484 10.250 390 H ILE 59 H ILE 59 4.370 0.349 8.008 391 HA ILE 59 HA ILE 59 4.764 -2.027 9.610 392 HB ILE 59 HB ILE 59 2.929 -1.214 7.409 393 HG12 ILE 59 HG12 ILE 59 2.221 -1.967 10.222 394 HG13 ILE 59 HG13 ILE 59 2.772 -0.360 9.843 395 HG21 ILE 59 HG21 ILE 59 1.596 -3.177 7.727 396 HG22 ILE 59 HG22 ILE 59 3.132 -3.606 7.126 397 HG23 ILE 59 HG23 ILE 59 2.763 -3.868 8.781 398 HD11 ILE 59 HD11 ILE 59 0.252 -1.636 8.807 399 HD12 ILE 59 HD12 ILE 59 0.419 -0.292 9.886 400 HD13 ILE 59 HD13 ILE 59 0.883 -0.108 8.257 401 H ILE 60 H ILE 60 5.321 -1.455 6.062 402 HA ILE 60 HA ILE 60 6.581 -3.815 5.547 403 HB ILE 60 HB ILE 60 6.851 -1.053 4.469 404 HG12 ILE 60 HG12 ILE 60 5.652 -3.641 3.478 405 HG13 ILE 60 HG13 ILE 60 4.754 -2.309 4.120 406 HG21 ILE 60 HG21 ILE 60 8.115 -3.473 3.266 407 HG22 ILE 60 HG22 ILE 60 8.146 -1.902 2.532 408 HG23 ILE 60 HG23 ILE 60 9.016 -2.125 3.966 409 HD11 ILE 60 HD11 ILE 60 5.556 -0.913 2.204 410 HD12 ILE 60 HD12 ILE 60 6.263 -2.399 1.541 411 HD13 ILE 60 HD13 ILE 60 4.556 -2.250 1.750 412 H LYS 61 H LYS 61 8.122 -0.952 6.839 413 HA LYS 61 HA LYS 61 10.705 -1.948 7.080 414 HB2 LYS 61 HB2 LYS 61 10.248 0.375 7.228 415 HB3 LYS 61 HB3 LYS 61 9.131 0.117 8.550 416 HG2 LYS 61 HG2 LYS 61 11.050 1.128 9.478 417 HG3 LYS 61 HG3 LYS 61 10.928 -0.554 9.976 418 HD2 LYS 61 HD2 LYS 61 13.229 -0.141 9.416 419 HD3 LYS 61 HD3 LYS 61 12.591 -1.155 8.151 420 HE2 LYS 61 HE2 LYS 61 12.231 0.696 6.680 421 HE3 LYS 61 HE3 LYS 61 12.698 1.779 7.947 422 HZ1 LYS 61 HZ1 LYS 61 14.469 1.211 6.499 423 HZ2 LYS 61 HZ2 LYS 61 14.815 0.858 7.875 424 HZ3 LYS 61 HZ3 LYS 61 14.491 -0.159 6.915 425 H ALA 62 H ALA 62 7.945 -2.766 9.021 426 HA ALA 62 HA ALA 62 9.585 -4.292 10.862 427 HB1 ALA 62 HB1 ALA 62 6.647 -3.807 10.713 428 HB2 ALA 62 HB2 ALA 62 7.427 -4.741 11.927 429 HB3 ALA 62 HB3 ALA 62 7.773 -3.083 11.782 430 H GLY 63 H GLY 63 7.127 -4.879 8.343 431 HA2 GLY 63 HA2 GLY 63 6.906 -7.587 8.704 432 HA3 GLY 63 HA3 GLY 63 6.316 -6.673 7.397 433 H GLY 64 H GLY 64 9.225 -5.835 6.627 434 HA2 GLY 64 HA2 GLY 64 11.057 -6.671 5.652 435 HA3 GLY 64 HA3 GLY 64 10.687 -8.261 6.281 436 H PHE 65 H PHE 65 8.499 -6.536 4.247 437 HA PHE 65 HA PHE 65 8.074 -8.408 2.236 438 HB2 PHE 65 HB2 PHE 65 7.649 -5.493 2.176 439 HB3 PHE 65 HB3 PHE 65 6.949 -6.725 1.106 440 HD1 PHE 65 HD1 PHE 65 6.971 -5.426 4.550 441 HD2 PHE 65 HD2 PHE 65 4.998 -7.928 1.737 442 HE1 PHE 65 HE1 PHE 65 4.870 -5.038 5.740 443 HE2 PHE 65 HE2 PHE 65 2.915 -7.721 3.066 444 HZ PHE 65 HZ PHE 65 2.865 -6.308 5.038 445 H ALA 68 H ALA 68 6.604 -13.283 3.430 446 HA ALA 68 HA ALA 68 6.499 -10.938 5.066 447 HB1 ALA 68 HB1 ALA 68 5.328 -11.382 2.444 448 HB2 ALA 68 HB2 ALA 68 5.120 -10.029 3.416 449 HB3 ALA 68 HB3 ALA 68 6.706 -10.384 2.800 450 H LYS 69 H LYS 69 5.786 -12.511 6.723 451 HA LYS 69 HA LYS 69 3.224 -13.582 6.592 452 HB2 LYS 69 HB2 LYS 69 4.887 -12.611 8.949 453 HB3 LYS 69 HB3 LYS 69 3.369 -13.461 9.100 454 HG2 LYS 69 HG2 LYS 69 4.330 -15.358 7.841 455 HG3 LYS 69 HG3 LYS 69 5.848 -14.542 7.862 456 HD2 LYS 69 HD2 LYS 69 4.348 -15.394 10.301 457 HD3 LYS 69 HD3 LYS 69 5.671 -16.183 9.578 458 HE2 LYS 69 HE2 LYS 69 7.119 -14.367 9.917 459 HE3 LYS 69 HE3 LYS 69 5.833 -13.607 10.661 460 HZ1 LYS 69 HZ1 LYS 69 6.924 -16.025 11.622 461 HZ2 LYS 69 HZ2 LYS 69 7.187 -14.664 12.221 462 HZ3 LYS 69 HZ3 LYS 69 5.847 -15.267 12.263 463 H ALA 70 H ALA 70 4.301 -10.384 7.141 464 HA ALA 70 HA ALA 70 2.003 -9.225 8.294 465 HB1 ALA 70 HB1 ALA 70 4.283 -8.050 6.735 466 HB2 ALA 70 HB2 ALA 70 3.158 -7.181 7.760 467 HB3 ALA 70 HB3 ALA 70 4.258 -8.317 8.400 468 H ALA 71 H ALA 71 2.217 -10.580 5.238 469 HA ALA 71 HA ALA 71 0.933 -8.503 3.771 470 HB1 ALA 71 HB1 ALA 71 2.679 -9.969 2.865 471 HB2 ALA 71 HB2 ALA 71 1.558 -11.275 2.997 472 HB3 ALA 71 HB3 ALA 71 1.251 -9.936 1.941 473 H ALA 72 H ALA 72 -0.571 -9.996 6.048 474 HA ALA 72 HA ALA 72 -3.031 -9.429 4.534 475 HB1 ALA 72 HB1 ALA 72 -4.253 -10.587 6.245 476 HB2 ALA 72 HB2 ALA 72 -3.165 -11.620 5.377 477 HB3 ALA 72 HB3 ALA 72 -2.766 -11.118 6.955 478 H ALA 73 H ALA 73 -1.362 -8.993 7.550 479 HA ALA 73 HA ALA 73 -2.991 -7.040 8.687 480 HB1 ALA 73 HB1 ALA 73 -1.252 -8.264 9.866 481 HB2 ALA 73 HB2 ALA 73 -0.025 -7.417 8.956 482 HB3 ALA 73 HB3 ALA 73 -1.090 -6.571 10.091 483 H ALA 74 H ALA 74 -0.279 -6.498 6.438 484 HA ALA 74 HA ALA 74 -0.368 -3.623 6.676 485 HB1 ALA 74 HB1 ALA 74 0.780 -5.463 4.589 486 HB2 ALA 74 HB2 ALA 74 0.987 -3.804 4.657 487 HB3 ALA 74 HB3 ALA 74 1.555 -4.773 5.900 488 H ILE 75 H ILE 75 -1.974 -6.029 4.767 489 HA ILE 75 HA ILE 75 -3.009 -4.258 2.809 490 HB ILE 75 HB ILE 75 -4.144 -6.953 3.510 491 HG12 ILE 75 HG12 ILE 75 -1.680 -7.205 3.233 492 HG13 ILE 75 HG13 ILE 75 -2.639 -8.000 1.993 493 HG21 ILE 75 HG21 ILE 75 -4.514 -6.792 0.970 494 HG22 ILE 75 HG22 ILE 75 -5.536 -5.864 2.054 495 HG23 ILE 75 HG23 ILE 75 -4.260 -5.079 1.236 496 HD11 ILE 75 HD11 ILE 75 -2.098 -6.296 0.406 497 HD12 ILE 75 HD12 ILE 75 -1.320 -5.326 1.600 498 HD13 ILE 75 HD13 ILE 75 -0.627 -6.850 1.150 499 H LYS 76 H LYS 76 -4.328 -5.758 5.657 500 HA LYS 76 HA LYS 76 -6.959 -4.585 5.590 501 HB2 LYS 76 HB2 LYS 76 -5.168 -5.802 7.728 502 HB3 LYS 76 HB3 LYS 76 -6.780 -5.235 8.054 503 HG2 LYS 76 HG2 LYS 76 -6.019 -7.367 6.074 504 HG3 LYS 76 HG3 LYS 76 -6.643 -7.655 7.668 505 HD2 LYS 76 HD2 LYS 76 -8.151 -6.368 5.430 506 HD3 LYS 76 HD3 LYS 76 -8.309 -7.998 5.967 507 HE2 LYS 76 HE2 LYS 76 -8.810 -7.135 8.210 508 HE3 LYS 76 HE3 LYS 76 -9.132 -5.779 7.461 509 HZ1 LYS 76 HZ1 LYS 76 -10.209 -7.718 6.838 510 HZ2 LYS 76 HZ2 LYS 76 -10.841 -6.689 7.645 511 HZ3 LYS 76 HZ3 LYS 76 -10.427 -6.598 6.316 512 H ALA 77 H ALA 77 -3.976 -3.464 6.879 513 HA ALA 77 HA ALA 77 -5.055 -0.972 7.881 514 HB1 ALA 77 HB1 ALA 77 -2.721 -0.482 8.401 515 HB2 ALA 77 HB2 ALA 77 -3.205 -2.065 8.971 516 HB3 ALA 77 HB3 ALA 77 -2.217 -1.897 7.521 517 H ILE 78 H ILE 78 -4.513 -1.857 4.614 518 HA ILE 78 HA ILE 78 -4.577 1.000 4.056 519 HB ILE 78 HB ILE 78 -2.489 -0.024 3.333 520 HG12 ILE 78 1HG1 ILE 78 -4.397 0.871 1.214 521 HG13 ILE 78 2HG1 ILE 78 -3.604 1.872 2.342 522 HG21 ILE 78 1HG2 ILE 78 -4.064 -1.461 1.258 523 HG22 ILE 78 2HG2 ILE 78 -2.326 -1.516 1.513 524 HG23 ILE 78 3HG2 ILE 78 -3.406 -2.234 2.642 525 HD11 ILE 78 1HD1 ILE 78 -1.790 1.049 0.870 526 HD12 ILE 78 2HD1 ILE 78 -2.349 0.993 0.277 527 HD13 ILE 78 3HD1 ILE 78 -2.120 1.721 0.535 528 H ALA 79 H ALA 79 -5.914 -2.118 2.950 529 HA ALA 79 HA ALA 79 -7.490 -0.859 1.047 530 HB1 ALA 79 HB1 ALA 79 -6.913 -3.234 1.147 531 HB2 ALA 79 HB2 ALA 79 -8.131 -3.463 2.402 532 HB3 ALA 79 HB3 ALA 79 -8.610 -2.955 0.822 533 H ALA 80 H ALA 80 -8.128 -1.393 4.333 534 HA ALA 80 HA ALA 80 -10.930 -0.621 4.316 535 HB1 ALA 80 HB1 ALA 80 -9.999 -2.120 5.991 536 HB2 ALA 80 HB2 ALA 80 -8.988 -0.876 6.589 537 HB3 ALA 80 HB3 ALA 80 -10.700 -0.714 6.711 538 H ILE 81 H ILE 81 -7.898 0.990 4.741 539 HA ILE 81 HA ILE 81 -8.941 3.538 5.667 540 HB ILE 81 HB ILE 81 -6.221 2.691 4.785 541 HG12 ILE 81 HG12 ILE 81 -5.583 3.120 7.021 542 HG13 ILE 81 HG13 ILE 81 -7.201 3.522 7.435 543 HG21 ILE 81 HG21 ILE 81 -7.236 5.383 5.659 544 HG22 ILE 81 HG22 ILE 81 -5.567 4.961 5.693 545 HG23 ILE 81 HG23 ILE 81 -6.416 4.983 4.193 546 HD11 ILE 81 HD11 ILE 81 -6.556 0.770 6.453 547 HD12 ILE 81 HD12 ILE 81 -6.271 1.243 8.102 548 HD13 ILE 81 HD13 ILE 81 -7.878 1.256 7.484 549 H ILE 82 H ILE 82 -7.723 2.195 2.595 550 HA ILE 82 HA ILE 82 -8.421 4.242 0.948 551 HB ILE 82 HB ILE 82 -8.266 1.270 0.489 552 HG12 ILE 82 HG12 ILE 82 -6.559 3.696 -0.114 553 HG13 ILE 82 HG13 ILE 82 -6.214 2.473 1.064 554 HG21 ILE 82 HG21 ILE 82 -9.813 2.117 -1.238 555 HG22 ILE 82 HG22 ILE 82 -8.640 3.322 -1.659 556 HG23 ILE 82 HG23 ILE 82 -8.295 1.657 -1.925 557 HD11 ILE 82 HD11 ILE 82 -4.803 2.068 -0.832 558 HD12 ILE 82 HD12 ILE 82 -6.035 0.827 -0.864 559 HD13 ILE 82 HD13 ILE 82 -6.109 2.283 -1.928 560 H LYS 83 H LYS 83 -10.523 1.637 1.924 561 HA LYS 83 HA LYS 83 -12.855 2.422 0.593 562 HB2 LYS 83 HB2 LYS 83 -12.637 0.264 1.475 563 HB3 LYS 83 HB3 LYS 83 -12.229 0.886 3.061 564 HG2 LYS 83 HG2 LYS 83 -14.403 -0.004 3.201 565 HG3 LYS 83 HG3 LYS 83 -14.507 1.731 3.292 566 HD2 LYS 83 HD2 LYS 83 -16.235 1.321 1.971 567 HD3 LYS 83 HD3 LYS 83 -15.004 1.641 0.890 568 HE2 LYS 83 HE2 LYS 83 -16.131 -0.018 -0.030 569 HE3 LYS 83 HE3 LYS 83 -14.663 -0.556 0.601 570 HZ1 LYS 83 HZ1 LYS 83 -15.712 -1.258 2.245 571 HZ2 LYS 83 HZ2 LYS 83 -16.324 -1.778 1.267 572 HZ3 LYS 83 HZ3 LYS 83 -16.852 -0.978 1.815 573 H ALA 84 H ALA 84 -11.381 3.840 3.421 574 HA ALA 84 HA ALA 84 -13.710 5.538 3.867 575 HB1 ALA 84 HB1 ALA 84 -12.476 6.180 5.815 576 HB2 ALA 84 HB2 ALA 84 -12.496 4.476 5.717 577 HB3 ALA 84 HB3 ALA 84 -11.074 5.353 5.308 578 H GLY 85 H GLY 85 -10.377 5.916 2.716 579 HA2 GLY 85 HA2 GLY 85 -10.562 8.713 2.410 580 HA3 GLY 85 HA3 GLY 85 -9.328 7.635 1.794 581 H GLY 86 H GLY 86 -11.268 6.064 0.177 582 HA2 GLY 86 HA2 GLY 86 -12.462 6.143 -1.770 583 HA3 GLY 86 HA3 GLY 86 -12.715 7.850 -1.514 584 H PHE 87 H PHE 87 -9.652 6.191 -1.783 585 HA PHE 87 HA PHE 87 -8.301 8.091 -3.265 586 HB2 PHE 87 HB2 PHE 87 -7.738 5.233 -2.850 587 HB3 PHE 87 HB3 PHE 87 -6.680 6.360 -3.619 588 HD1 PHE 87 HD1 PHE 87 -8.335 5.505 -0.475 589 HD2 PHE 87 HD2 PHE 87 -5.445 8.010 -2.248 590 HE1 PHE 87 HE1 PHE 87 -7.112 5.603 1.709 591 HE2 PHE 87 HE2 PHE 87 -4.275 8.239 -0.144 592 HZ PHE 87 HZ PHE 87 -5.088 6.988 1.873 593 H1 ACE 1 H1 ACE 1 4.937 13.830 -0.939 594 H2 ACE 1 H2 ACE 1 4.982 13.962 -1.375 595 H3 ACE 1 H3 ACE 1 4.687 14.234 -1.102 596 HN1 NH2 22 HN1 NH2 22 -7.652 -7.461 -0.173 597 HN2 NH2 22 HN2 NH2 22 -7.214 -8.509 -1.453 598 H1 ACE 23 H1 ACE 23 -3.764 -14.702 -1.884 599 H2 ACE 23 H2 ACE 23 -4.332 -13.859 -1.315 600 H3 ACE 23 H3 ACE 23 -4.233 -13.854 -2.455 601 HN1 NH2 44 HN1 NH2 44 6.825 10.497 4.107 602 HN2 NH2 44 HN2 NH2 44 7.276 9.744 2.628 603 H1 ACE 45 H1 ACE 45 -7.937 9.634 -0.464 604 H2 ACE 45 H2 ACE 45 -8.044 9.563 0.326 605 H3 ACE 45 H3 ACE 45 -8.413 10.257 -0.071 606 HN1 NH2 66 HN1 NH2 66 10.697 -5.887 0.483 607 HN2 NH2 66 HN2 NH2 66 9.817 -5.314 1.809 608 H1 ACE 67 H1 ACE 67 8.447 -12.095 6.156 609 H2 ACE 67 H2 ACE 67 9.490 -12.008 5.493 610 H3 ACE 67 H3 ACE 67 8.705 -11.167 5.367 611 HN1 NH2 88 HN1 NH2 88 -9.118 5.425 -6.208 612 HN2 NH2 88 HN2 NH2 88 -9.092 4.837 -4.611
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